#DEFINITION	Reference Metabolome for Laurus nobilis
#IDENTTFIER	RefMeta-Laurus nobilis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Laurus nobilis
#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 Laurus nobilis 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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.6
51.02374	2.8
53.03952	27.3
53.54412	0.5
53.88024	0.6
55.01862	1.5
56.96544	0.7
57.03426	1.3
58.20032	0.6
60.08161	1.6
60.28145	0.6
67.02040	0.5
68.19259	0.6
70.85773	1.6
72.47457	0.6
77.03931	6.5
81.03420	3.0
85.02906	2.9
93.96574	0.8
94.34953	0.6
95.04974	36.3
102.04686	4.4
103.04037	4.6
103.05475	100.0
104.10741	2.6
105.04523	11.1
120.97926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	0.3
58.06310	0.3
58.06603	5.1
59.07387	1.6
60.08167	49.5
64.03379	0.2
69.03439	0.4
69.78049	1.1
86.06065	0.2
87.04473	0.7
104.10750	100.0
105.11098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	5.1
58.20962	0.2
59.07378	1.8
60.08167	47.6
69.03455	1.3
70.25082	1.0
75.91891	0.2
82.17815	0.2
86.06077	0.6
87.04469	2.3
101.16043	0.2
103.17664	0.2
104.10749	100.0
110.20849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	1.7
53.03951	12.8
71.16591	1.2
77.03935	4.2
79.05499	50.5
81.03426	0.9
95.04977	16.4
99.57758	0.7
103.05476	32.2
105.04546	5.8
105.07037	100.0
106.07315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55715	1.1
71.56107	0.8
77.03910	1.2
79.05479	1.9
81.03420	6.1
83.04972	1.8
85.02913	8.8
89.03927	4.8
91.05478	1.2
92.16186	0.7
92.62669	0.6
93.03407	3.3
94.86695	0.7
95.04983	4.2
97.02892	3.9
99.04453	1.7
103.05473	1.0
105.03393	2.2
105.06991	0.7
107.04973	7.0
109.02897	6.1
111.00812	7.7
111.04449	16.9
115.05436	1.5
117.03378	3.9
117.06978	1.0
119.04942	2.4
121.02863	2.8
121.06542	0.8
123.04435	96.0
124.04858	1.1
127.03923	100.0
128.04198	1.2
131.04941	5.3
135.04425	89.4
136.04836	0.7
137.02351	7.5
137.05969	1.3
139.03909	89.3
140.04250	1.4
141.07027	2.0
143.04878	1.7
145.02884	1.8
145.05032	1.0
145.06499	2.7
145.40576	0.7
147.04419	13.1
149.02365	10.2
149.05994	2.9
149.69800	0.7
150.03073	0.8
151.03917	32.9
152.04390	0.9
153.05470	1.3
155.04955	2.4
157.06519	2.6
159.04430	6.7
161.02368	2.1
161.04736	1.0
161.05981	6.2
163.03914	80.7
164.04291	1.5
165.01852	1.2
165.05499	6.3
167.03459	6.6
169.05003	2.8
169.06529	3.6
171.04427	0.8
173.02466	0.8
173.05975	8.0
175.03918	5.2
176.04750	1.0
177.01857	0.9
177.05479	9.8
179.03400	14.3
181.04980	2.7
181.06551	2.0
183.04448	3.9
185.06001	5.1
187.03903	12.0
187.05440	0.7
187.07613	1.0
189.01881	0.7
189.05481	6.3
191.03406	15.0
191.05054	1.0
191.07030	1.5
193.04942	3.7
195.04425	1.1
197.06046	5.6
199.07593	1.1
201.05504	14.5
203.03401	19.1
203.05199	1.1
203.06989	4.4
205.04944	4.9
207.02943	2.0
207.06580	2.2
209.06075	1.2
211.03879	0.8
213.05461	5.9
215.03552	4.0
215.07053	5.1
217.04977	4.4
219.06610	2.2
221.04451	1.0
223.02338	4.9
225.05487	4.3
227.03490	2.1
227.07094	1.8
228.04066	0.7
229.04973	21.8
231.02948	1.4
231.06485	5.7
233.04468	7.7
235.02702	0.7
237.05568	2.4
239.07173	1.3
241.04996	6.9
242.05705	0.9
243.06497	7.8
243.08591	0.8
245.04468	58.7
246.04993	1.3
247.06036	82.6
248.06462	2.3
251.05484	1.5
253.05017	5.2
255.06485	6.7
257.04483	29.7
258.05167	2.4
259.06039	21.0
261.07626	8.3
263.05527	1.5
265.05014	3.6
267.06635	1.6
269.04504	9.5
270.05182	1.3
271.06018	39.2
272.06531	1.9
273.04306	1.5
273.07587	12.9
273.10486	0.8
274.04773	2.4
275.05490	22.1
279.06665	1.8
281.04590	3.2
283.06027	21.7
285.04288	1.4
285.07687	4.7
286.04895	0.9
287.05496	29.0
288.05899	1.4
289.07071	80.5
290.07477	2.2
291.08673	13.9
293.08081	1.0
295.06009	6.1
297.04080	4.4
297.07663	2.5
299.05447	9.5
301.07065	23.2
303.08856	3.7
307.06146	2.7
309.04028	3.0
309.07211	0.8
311.05704	2.8
313.07016	4.8
315.08914	1.4
317.07996	1.1
319.05908	0.8
321.07816	1.3
323.05551	5.4
325.07001	0.9
329.06616	0.9
331.08215	2.7
335.05569	1.4
337.07248	1.4
339.08856	1.1
341.06952	1.3
345.07632	1.0
349.06973	1.4
351.05042	5.2
351.08853	1.0
353.06985	1.0
355.08405	1.4
361.07217	2.4
363.04929	1.1
363.08881	2.8
365.06616	3.7
367.08380	2.8
373.07486	1.3
375.05054	1.0
376.06012	0.9
377.06708	2.5
379.08093	5.0
383.07651	6.1
389.06781	3.0
391.07825	5.7
393.05966	9.6
395.07651	4.6
397.09149	7.5
401.07013	1.4
403.08627	1.2
405.05814	5.7
407.07626	16.8
407.12509	1.1
409.09195	35.9
410.09546	1.6
411.10791	6.9
413.07687	0.9
415.10318	2.9
419.07596	5.5
421.09265	4.3
425.08563	8.7
427.10266	33.7
428.10953	1.4
431.08478	1.0
433.08994	3.6
435.11227	4.2
437.08328	6.4
439.10367	3.4
449.09283	2.5
451.10944	8.5
453.11664	5.8
461.08780	1.2
463.12381	2.1
469.11337	1.6
517.11353	8.1
527.09564	4.5
535.12347	5.6
541.11316	3.3
543.12860	1.8
545.10724	10.1
547.12494	0.9
553.12238	0.8
559.12836	3.2
561.13965	1.7
563.12158	1.2
569.13074	2.9
571.13525	4.0
577.13666	1.9
579.14978	6.3
587.13568	1.2
589.15063	2.3
679.14850	2.7
697.15344	8.8
715.17059	2.9
859.21826	0.9
883.48773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36084	1.3
70.04623	1.2
70.21204	1.5
71.32515	1.8
71.32840	1.4
82.99854	3.0
83.01520	9.5
101.00892	28.5
101.02563	19.8
102.02225	2.6
119.01930	100.0
119.03587	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01883	0.8
55.05514	5.1
56.05027	1.1
56.96573	25.3
57.03426	1.5
57.07076	0.9
58.96189	3.3
58.99847	0.6
59.04997	2.0
59.06122	2.2
59.93111	0.9
59.96184	0.6
60.95846	1.4
61.02933	1.0
68.00261	1.3
70.98130	4.7
71.04998	1.6
71.16109	1.2
71.95271	1.4
73.02914	1.1
75.01051	1.6
77.00805	4.7
82.01448	1.2
82.99832	2.1
83.00780	1.6
83.01538	3.0
83.05006	3.3
84.04528	1.0
84.08141	2.6
88.99158	1.2
89.00279	0.7
89.00806	0.8
89.02582	0.8
90.01579	0.9
98.01298	2.3
98.03091	1.1
98.97588	3.8
100.02473	2.2
100.97206	1.3
100.98013	1.7
101.00889	30.0
101.02547	6.1
101.06048	1.6
101.10780	2.4
102.02239	1.8
102.09166	0.9
107.01828	1.1
110.97576	1.0
116.98614	1.4
119.01930	100.0
119.03661	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06106	1.4
59.99930	1.4
66.36207	1.2
70.75999	2.5
83.01515	6.5
100.02487	2.6
101.00878	22.7
101.02563	22.9
102.02242	4.2
115.22521	1.5
119.01926	100.0
119.03604	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	992.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19138	100.0
76.93621	20.6
77.52586	23.0
118.00926	19.3
118.20039	19.3
177.86971	25.4
194.43694	25.1
200.15912	24.0
396.86871	26.3
397.62827	23.4
1024.53662	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04712	100.0
111.66503	28.5
157.98840	27.0
186.52565	29.6
221.85353	30.8
309.68707	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	983.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.5
70.22119	1.2
70.22464	4.1
71.01384	17.4
72.99303	1.6
73.02940	3.0
78.95870	1.0
83.01383	2.0
83.05035	0.9
85.02944	3.3
87.00862	3.9
89.02441	12.6
90.01812	1.0
95.01402	1.5
96.95978	1.1
97.02946	2.9
99.92590	1.0
101.02443	14.4
107.33394	0.9
111.08157	6.2
113.02450	9.0
116.92903	1.2
119.03486	3.8
125.02438	5.0
137.09679	1.3
143.03459	2.7
154.87939	1.0
161.04506	2.8
165.12732	0.9
177.12944	1.0
179.05563	4.7
179.10741	1.7
179.14267	1.1
195.13922	11.8
199.23112	1.0
221.06645	2.8
223.13358	5.6
235.08160	3.7
242.04585	1.3
247.20647	2.1
256.13171	1.2
273.18671	1.2
275.20135	6.6
279.59137	1.1
291.19656	82.6
292.19977	7.0
293.21228	100.0
294.21567	6.5
309.20782	1.6
314.58539	1.0
323.09528	1.2
325.20715	1.0
379.12851	1.3
392.13818	1.0
397.13489	27.4
398.13638	2.3
415.14532	15.0
689.34192	1.4
784.19098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.7
71.01017	0.6
71.01385	10.8
71.63650	1.2
72.99313	1.0
73.02940	1.5
75.24481	0.7
80.92200	0.7
81.03483	0.8
83.01402	1.5
85.02956	2.1
87.00877	2.3
89.02441	9.2
95.01394	0.6
97.02955	1.5
99.08181	1.0
101.02440	9.0
109.06586	0.9
111.08177	0.9
111.67533	0.6
113.02454	5.0
113.09768	0.9
118.61436	0.7
119.03480	1.9
123.08080	0.7
125.02438	4.3
125.09721	0.9
127.07630	0.9
127.11322	1.3
131.03589	0.7
137.02531	0.8
139.11269	3.0
143.03493	1.7
144.54936	0.7
155.10779	1.3
161.04518	2.3
171.10281	19.1
179.05591	1.6
183.10245	1.1
185.11816	1.4
187.09692	1.1
197.11879	1.5
199.13399	0.9
201.11246	3.7
211.13417	3.2
221.06737	0.9
235.08199	4.9
253.09244	1.8
265.21704	2.9
275.20154	2.4
277.21716	29.6
278.22064	2.2
287.07693	1.2
293.21332	4.9
305.08636	2.1
311.22278	100.0
312.22656	6.0
397.13501	50.7
398.13983	3.3
401.39993	0.8
415.14526	15.7
503.00714	0.7
675.36163	2.1
786.65875	0.7
819.18683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85283	49.1
71.10395	100.0
76.30611	49.3
227.59653	52.2
317.31128	56.6
460.06091	53.0
967.51563	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97374	2.4
69.38357	4.6
69.38767	13.6
71.01378	2.0
74.99094	5.6
81.03435	2.8
83.01390	3.9
83.95989	1.9
84.85144	2.1
95.05031	3.8
97.02969	4.4
108.02206	2.3
109.02951	21.7
117.97273	3.1
121.02946	3.7
123.04520	14.9
125.02455	100.0
126.02836	3.8
131.04895	2.0
133.02931	5.6
135.04523	3.3
136.99135	6.3
137.02440	28.4
149.02443	6.1
151.04057	13.2
159.04546	3.7
161.02431	28.7
161.06030	3.0
162.02884	2.5
163.03970	2.7
164.01160	4.3
165.01926	7.3
167.03523	2.3
170.60193	2.1
175.03963	9.2
177.01958	9.0
179.03500	4.9
186.19749	1.9
187.04013	8.5
188.04768	4.6
203.07132	10.5
205.01398	4.9
205.05069	8.9
217.05118	3.0
221.08382	2.6
229.05078	3.2
243.02982	3.6
245.04539	5.2
245.08110	16.2
255.02975	8.7
256.03690	3.9
269.04614	3.7
273.04019	6.1
281.04684	4.0
285.04007	5.6
287.05688	16.2
289.07175	65.5
290.07614	4.2
293.93594	2.2
299.05542	7.2
306.07645	4.9
329.06708	2.4
339.08759	6.5
380.48914	1.9
381.09610	3.0
407.07730	65.7
408.08002	9.3
425.08798	71.4
426.08981	7.6
451.10315	16.2
577.13367	53.0
578.13818	11.6
682.21619	2.8
920.16895	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	971.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.1
70.83396	0.8
71.01385	16.2
71.47787	0.2
72.99311	1.6
73.02948	2.7
73.37868	0.3
75.00861	0.4
76.28252	0.3
81.03446	0.9
81.23758	0.2
83.01397	2.0
83.05031	0.4
85.02948	3.8
87.00883	3.8
89.02448	14.4
91.03973	0.5
95.01376	1.3
95.04995	0.4
97.02949	3.1
97.06559	0.2
99.00904	1.2
99.04516	0.3
101.02444	12.8
111.00864	0.4
111.04523	0.6
111.08139	0.3
113.02454	7.0
113.09728	0.4
115.04022	0.3
116.92893	0.3
119.03501	4.2
121.02958	0.3
123.04475	0.3
124.01682	0.4
125.02457	6.2
131.03514	0.5
133.05080	0.5
139.03981	0.4
141.09238	0.3
143.03519	2.2
149.04564	0.3
161.04539	3.2
167.03566	0.3
167.10789	0.5
177.12756	0.5
179.05609	3.3
179.14388	1.1
185.04625	0.3
195.13899	8.3
196.14476	0.5
199.06010	0.3
203.05556	0.3
205.12373	1.3
205.15909	0.6
211.13275	0.7
217.07074	0.3
219.05034	0.4
221.06711	1.0
223.13385	5.6
224.13774	0.3
228.13705	1.0
231.21182	0.3
235.08224	8.2
236.10577	0.4
245.06728	0.3
253.09259	1.5
256.13116	1.5
261.22134	0.3
263.07700	0.4
265.21817	0.5
275.20163	4.7
276.20502	0.3
277.09158	0.3
279.23288	45.8
280.23636	3.4
287.07727	2.4
291.19797	0.5
293.21225	100.0
294.21558	7.4
305.08752	2.7
323.09781	0.7
361.11438	0.3
379.12357	0.5
393.94141	0.3
397.13501	71.9
398.13824	5.6
415.14566	23.7
415.20267	0.6
416.14932	1.1
505.38766	0.3
651.47882	0.3
677.37628	4.3
678.38342	0.6
789.03461	0.3
978.61932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5763
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95907	25.5
101.02438	0.8
106.77213	0.2
108.65495	0.2
116.92825	0.3
120.30343	0.2
121.02942	1.0
122.00145	1.1
127.06336	0.2
137.88933	0.2
140.01189	5.9
152.80022	0.2
152.99626	2.3
166.02652	0.2
171.00664	0.7
177.08986	0.2
180.93303	0.3
188.02980	0.2
195.16054	0.2
196.03798	9.7
214.04848	2.0
216.71510	0.2
233.15479	0.7
239.04776	0.3
261.22089	0.4
279.23285	100.0
280.23624	6.3
385.90762	0.2
401.08719	0.4
411.49323	0.3
415.91986	0.2
453.03061	0.2
476.27826	90.0
477.28168	9.3
839.93817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57422	6.0
89.56236	1.0
93.34527	0.9
107.01382	3.0
109.02949	1.8
121.02947	1.9
125.02425	1.2
137.02454	1.1
148.01685	1.2
151.00381	8.5
152.01018	0.9
154.49841	0.9
163.00400	2.4
169.01421	1.2
178.99841	4.7
192.20128	0.8
211.03929	1.1
226.02725	1.1
227.03453	3.8
243.03081	5.6
243.05139	1.1
245.04585	1.5
254.02275	1.1
255.02974	16.2
256.03259	1.6
271.02472	26.7
272.02853	2.8
273.04004	1.2
283.02341	1.7
284.03180	1.1
300.02768	57.6
301.03482	45.6
302.03860	5.3
303.03952	0.9
447.09329	100.0
448.09631	13.0
449.09808	3.8
484.17972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77573	19.1
135.99713	10.2
137.41537	9.4
137.77901	10.1
207.67117	9.0
221.81276	10.9
224.01280	10.8
272.48679	10.4
277.21744	100.0
365.58502	11.3
379.12454	15.2
397.13458	42.7
791.11548	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	969.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.6
71.01387	12.7
71.62656	0.5
71.63091	0.7
72.99299	1.1
73.02939	2.2
73.26358	0.5
83.01366	0.8
85.02962	3.2
87.00877	2.7
89.02449	9.8
89.67007	0.5
93.27740	0.6
95.01381	1.0
97.02947	1.7
101.02455	7.6
101.49761	0.5
113.02447	5.5
113.09725	1.5
116.92883	1.6
119.03495	2.3
125.02451	3.1
131.03455	0.6
143.03499	1.3
149.04532	0.8
161.04572	2.2
163.26344	0.5
179.05641	2.9
179.14470	1.6
188.39944	0.6
195.13904	19.3
196.14317	1.0
199.06055	0.5
221.06602	1.4
223.13428	3.5
228.13754	0.8
229.67503	0.6
235.08243	3.0
256.13177	1.2
275.20224	4.5
277.21716	11.6
278.22110	0.9
287.07635	0.9
293.21237	83.1
294.21542	6.1
295.22784	100.0
296.23145	7.1
305.08810	1.5
317.21207	0.9
323.09998	1.0
379.12521	1.5
397.13513	26.9
398.13956	1.9
415.14594	15.4
416.14890	0.9
571.43597	3.4
673.35101	0.8
675.35724	0.8
691.35358	2.6
693.37103	2.1
783.77509	0.6
906.49701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99829	0.3
69.03455	0.4
69.33202	1.4
69.33625	0.6
71.01387	7.8
72.99323	1.1
73.02943	1.1
73.92231	0.2
83.01412	1.7
85.02955	3.0
86.00094	0.3
87.00877	1.2
89.02451	5.4
95.01410	1.1
98.28215	0.2
99.00901	1.0
101.02446	5.8
106.38933	0.2
109.02950	0.5
111.00893	0.4
113.02460	2.9
115.04010	0.6
119.03514	2.0
123.00894	4.2
123.04523	0.3
124.01701	1.0
125.02469	1.7
135.04546	0.3
137.02428	1.1
138.03242	8.1
139.04079	1.3
143.03505	0.7
151.04036	0.7
153.05582	6.3
159.04539	0.3
161.02451	0.7
161.04596	0.3
173.02402	0.4
174.03261	0.2
175.03972	0.4
177.05533	0.3
179.03448	0.3
179.05605	0.3
186.03275	0.3
187.03998	1.6
188.04736	0.7
189.05499	0.6
201.05611	0.3
202.06374	2.2
203.07147	1.4
205.05009	0.4
206.05879	0.4
207.06653	0.2
217.04974	0.3
219.06494	0.4
221.08231	0.9
225.14970	0.3
233.08195	2.8
251.09230	0.3
269.04541	0.3
285.04013	0.4
289.07169	0.9
293.04617	0.4
295.06158	0.2
309.07550	0.3
311.05673	0.2
312.06149	0.2
313.07083	0.5
325.07028	0.6
326.08163	0.3
327.08899	1.0
329.10254	0.5
339.08621	0.2
340.09363	1.1
341.06509	0.3
341.10233	1.1
343.08182	0.4
343.11890	0.4
344.08887	0.8
355.07672	0.3
355.11859	2.0
356.08859	0.4
356.12735	0.4
357.09518	0.3
357.48746	0.2
358.10571	3.0
359.11328	3.8
360.12073	0.3
371.11292	3.3
372.11581	0.3
373.12927	5.8
374.13190	0.6
386.13721	1.6
387.14417	0.4
389.12366	2.1
390.12991	0.4
401.15884	1.3
403.14124	0.2
403.19827	0.3
404.14764	5.2
405.15491	2.1
406.15866	0.5
411.07162	0.2
419.17157	8.3
420.17426	0.8
461.42108	0.2
535.18494	0.3
566.19928	0.7
581.22406	100.0
582.22797	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	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68645	0.2
69.03419	0.4
69.33258	1.0
69.33688	1.0
71.00993	0.3
71.01383	6.6
72.99318	0.3
73.02929	0.6
74.94465	0.2
81.03471	0.3
83.01382	0.8
83.05052	0.3
85.02949	1.7
87.00877	1.9
87.80950	0.2
89.02444	5.8
91.98723	0.2
93.03486	0.2
95.01387	0.5
95.04983	0.2
97.02935	1.1
99.00867	0.7
101.02444	5.3
101.03079	0.4
111.08164	0.4
113.02443	2.8
113.09694	0.3
119.03528	1.5
125.02458	1.9
131.03516	0.5
141.09123	0.3
143.03546	1.0
161.04533	1.5
167.10780	0.3
177.12869	0.3
179.05603	2.2
179.14404	0.5
195.13905	7.6
196.14391	0.5
205.12306	0.5
205.15945	0.5
209.11871	0.3
211.13472	0.3
218.67603	0.2
221.06702	0.7
223.13383	5.1
224.13721	0.3
225.14874	0.2
228.13632	0.6
235.08253	1.9
244.39233	0.2
253.09265	0.5
256.13229	1.1
265.21765	0.6
275.20135	4.3
276.20514	0.5
281.56543	0.2
287.07828	0.4
293.21225	100.0
294.21545	7.5
305.08789	0.7
317.21313	0.3
323.09802	0.3
379.12482	1.0
397.13504	15.7
398.13821	1.0
415.14563	8.9
416.14749	0.7
452.01782	0.2
513.58972	0.3
569.41919	1.3
570.42999	0.4
574.51715	0.2
654.27649	0.3
673.33862	1.1
691.35590	2.8
692.35779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99810	2.1
71.01381	1.5
73.02963	0.6
74.06161	0.6
81.03468	0.6
83.01389	1.2
83.05029	0.4
85.02935	0.7
87.00877	1.0
89.02461	1.0
95.37337	0.5
101.02467	1.2
108.02175	0.9
109.02953	1.4
111.00880	1.9
113.02454	0.8
121.02979	0.7
123.04501	0.9
125.02453	5.8
135.04530	0.8
135.41164	0.5
137.02463	2.8
149.02463	1.0
151.04073	1.4
153.01927	0.6
161.02443	1.9
163.03987	0.7
164.01152	0.8
165.01927	0.8
167.03542	0.9
175.04010	0.6
177.01874	0.6
179.03577	0.7
187.03935	0.6
204.01732	0.6
205.05119	0.5
217.05028	0.5
255.02991	38.3
256.03418	2.7
269.04575	2.0
283.02499	27.8
284.03165	6.2
285.03949	2.7
285.16867	0.7
289.07285	1.7
297.03995	5.8
298.04810	10.6
299.05521	6.5
305.06699	1.9
313.03586	2.3
341.06702	0.6
360.66257	0.5
363.89325	0.5
414.58215	0.6
425.09174	0.6
433.09656	0.5
437.84164	0.5
446.08557	19.1
447.08633	2.4
461.10913	100.0
462.05301	0.8
462.11264	9.0
488.18137	0.5
652.07574	0.5
677.29303	0.6
677.49023	0.6
795.28326	1.0
965.33014	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13698	0.7
69.03461	2.2
71.01382	21.4
72.99316	1.4
73.02952	3.3
75.00910	0.9
78.95924	1.3
83.01395	2.4
85.02946	4.1
87.00869	5.5
89.02447	20.3
91.04000	0.8
95.01398	1.6
97.02413	0.9
97.02943	5.4
99.00901	1.9
101.02444	18.6
101.03085	1.5
107.75912	0.7
113.02433	9.0
113.09721	7.9
115.03991	1.0
119.03518	5.3
125.02455	7.6
131.03484	1.2
139.04005	0.9
139.11340	0.9
143.03481	3.8
161.04582	4.5
167.03421	0.9
167.10736	1.2
179.05627	4.2
179.10814	1.0
217.07010	1.0
221.06647	1.8
221.15422	2.2
235.08234	8.3
236.10577	1.8
249.22125	1.3
253.09296	2.2
255.23288	52.9
256.23532	4.1
267.19504	0.8
287.07727	3.0
293.21219	49.4
294.21609	4.0
305.08881	4.8
361.38535	0.8
397.13492	100.0
398.13690	6.1
405.95395	0.9
415.14578	28.8
416.14886	2.7
561.32623	0.9
597.87604	1.0
653.37354	6.5
654.38208	1.3
700.59827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34188	3.4
74.41000	0.3
74.76588	0.3
83.01392	1.0
95.21470	0.4
95.71255	0.4
97.16428	0.4
107.01390	2.3
108.02182	0.9
109.02951	1.9
121.02936	2.0
121.13371	0.4
125.02424	0.7
133.14061	0.3
135.54250	0.4
148.01654	0.8
151.00372	9.1
153.01874	0.4
163.00427	2.0
163.04065	0.4
163.05745	0.5
164.01147	0.5
169.01451	0.7
178.99854	4.2
183.04497	0.4
187.03957	0.4
199.04002	0.7
201.05534	0.5
211.04025	0.5
226.02747	0.6
227.03503	2.9
229.05011	0.5
243.03011	4.7
244.03651	0.5
245.04512	1.5
254.02190	1.1
255.03000	14.8
255.05693	0.8
256.03391	1.3
266.02148	0.4
271.02481	26.4
272.02994	2.4
273.03986	1.0
283.02481	1.3
284.03256	1.5
285.03983	0.5
299.02063	0.7
300.02756	55.7
301.03500	41.4
302.03790	3.4
447.09323	100.0
448.09686	11.4
804.16064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09924	0.4
69.61519	2.8
73.73661	0.4
74.41602	0.4
78.95907	59.9
96.96009	0.6
96.96972	5.7
98.20686	0.7
107.61034	0.4
150.98007	2.2
152.99590	100.0
153.99928	1.3
169.14720	0.4
171.00600	3.2
205.94319	0.4
233.15494	0.5
234.15932	0.4
237.51274	0.4
277.21698	1.0
289.07095	0.5
431.22006	34.9
432.22385	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	941.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	9.4
73.02947	1.0
73.56070	0.5
83.01395	1.0
85.02960	1.7
87.00900	0.7
89.02444	5.8
99.00863	0.6
101.02456	1.5
102.43208	0.4
109.02972	0.9
113.02451	1.2
119.03490	0.8
121.02949	0.8
123.00871	1.5
124.01655	1.5
125.02477	1.7
126.40197	0.6
131.03513	0.6
137.02490	1.0
138.03256	4.8
139.03989	1.7
149.04491	0.6
153.05580	4.2
174.77895	0.5
187.03999	1.5
189.05585	0.8
192.86777	0.6
202.06337	2.9
203.07118	1.3
207.10201	1.7
221.08173	1.0
229.28293	0.6
233.08183	1.8
255.02979	0.7
300.02798	1.9
301.03491	1.8
311.05457	0.8
313.07123	1.2
317.10361	0.6
325.07071	1.1
327.08566	1.2
328.09497	0.6
340.09467	2.2
341.06427	0.9
341.10266	2.6
344.08777	1.1
355.11859	2.6
356.12747	0.9
357.13443	1.0
358.10379	3.3
359.11490	4.7
371.11362	6.0
372.11871	0.8
373.12949	7.4
386.13608	3.4
389.12549	2.0
389.21429	0.5
401.15921	2.9
404.14725	7.0
405.15198	2.0
419.11920	0.9
419.17184	10.5
420.17474	1.0
422.07129	0.5
463.09052	2.9
463.21796	1.0
464.08746	0.8
505.17319	1.0
536.19263	0.7
551.21362	100.0
552.21692	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	931.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08560	0.8
71.01379	0.2
75.08450	0.2
78.95908	52.6
96.96972	6.3
98.20587	0.2
101.02421	0.2
106.61076	0.2
125.02432	0.2
150.98012	1.9
152.99597	100.0
153.99968	1.3
154.01067	0.2
171.00650	4.0
197.11908	0.2
201.11264	0.3
209.11841	0.4
277.21768	1.7
286.90158	0.2
295.22784	0.6
411.72293	0.2
431.22046	34.6
432.22336	3.5
493.29633	0.2
527.04169	0.2
695.27393	0.2
861.70410	0.2
931.50751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.199
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.9
71.61044	4.3
72.99288	3.3
81.03459	22.1
83.01398	14.0
93.03482	3.2
95.05045	8.9
97.02971	6.4
99.04523	10.7
107.05065	5.7
108.02178	38.1
109.02989	14.8
121.02961	5.9
123.04549	7.8
125.02447	85.4
126.02790	3.0
134.91811	2.5
137.02452	59.6
137.65614	2.7
139.04021	5.3
145.06667	3.0
145.41833	2.9
149.02473	3.6
151.04012	9.1
152.01131	31.8
153.01965	13.1
157.06577	5.3
159.04514	4.3
161.02475	4.3
161.06111	2.9
163.03987	5.2
164.01111	9.0
165.01949	18.4
167.03497	100.0
168.03824	4.2
173.06036	4.8
174.03027	2.7
175.04004	5.7
177.02034	6.6
177.05586	5.1
178.02672	3.3
179.03500	9.6
183.04500	4.5
185.06093	6.1
187.04002	7.8
189.05524	5.1
191.03377	2.6
199.04089	7.9
201.05600	10.4
203.03517	4.2
204.04201	3.1
205.05086	25.3
211.04004	16.1
212.04500	4.1
213.05592	12.7
215.03508	6.2
217.05035	5.7
219.02887	5.2
225.05652	3.2
227.03493	9.7
228.04274	5.9
229.05031	22.3
230.05534	3.6
231.02994	6.8
231.06618	3.3
233.04337	3.2
239.03508	9.3
241.05048	15.6
243.02951	4.6
244.03741	5.7
245.04474	6.1
247.06169	2.9
251.03539	3.6
253.05067	8.4
255.03043	3.4
257.04538	82.3
258.04984	7.3
259.02396	4.9
260.03098	2.9
261.04111	4.5
269.04562	28.2
270.05081	3.0
271.06250	5.1
273.04086	4.0
275.05560	10.5
281.04578	12.1
287.05521	3.8
293.04819	5.5
293.08087	3.4
295.06030	3.7
297.04099	3.3
297.07559	3.4
299.05557	4.6
305.06827	4.3
313.03601	2.7
314.40753	2.8
315.07278	43.6
321.07730	3.0
326.28418	3.0
343.04385	4.5
355.04449	3.3
357.06149	8.2
363.08875	3.2
373.50015	2.8
375.07086	4.4
377.06912	3.8
395.07706	56.2
396.07944	4.3
397.09058	8.0
403.35468	3.0
407.07562	18.5
413.08762	24.1
419.07782	18.5
425.08728	16.5
437.08749	9.2
439.06586	10.5
443.09860	22.5
444.09985	5.9
455.09708	5.2
469.07852	16.5
481.07935	6.3
501.12418	5.3
545.10712	19.8
563.11865	44.4
564.12762	7.2
581.12970	46.7
582.13330	5.6
607.10986	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	931.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	1.1
69.03457	1.1
71.01381	10.7
81.03446	2.2
83.01385	7.8
85.02950	3.6
88.40858	1.2
89.02444	5.7
91.83830	1.1
91.89506	1.1
93.03464	4.0
95.01376	1.9
95.05016	1.7
97.02953	6.7
101.02438	5.6
105.60657	1.2
107.05012	2.0
108.02195	7.6
109.02960	22.5
111.00892	2.1
113.02477	3.3
117.03426	1.2
119.03452	1.6
121.02966	7.8
122.03766	7.1
123.00942	1.4
123.04532	14.8
124.01666	21.5
125.02454	100.0
126.02728	2.8
133.02948	8.7
134.03700	1.2
135.04486	2.1
136.01677	5.3
137.01421	2.6
137.02446	38.6
138.03139	2.0
139.03967	2.7
145.02982	2.2
146.03673	2.0
147.04498	2.3
149.02449	10.2
150.03195	4.1
151.04041	11.6
154.02695	1.8
159.04533	5.6
161.02448	52.5
161.06056	6.1
162.03270	5.9
163.00359	5.4
163.03992	8.1
164.01181	13.8
164.04819	1.9
165.01942	25.1
165.05559	2.1
174.03151	3.1
175.02577	1.6
175.03960	9.3
176.01132	3.5
176.04668	2.4
177.01942	6.8
177.05585	3.8
179.03506	6.2
181.45856	1.2
185.06088	1.4
187.03998	7.5
188.04715	3.3
190.02654	2.4
191.03438	2.0
195.06526	2.3
197.06187	1.2
199.03987	2.0
201.05534	4.1
202.02725	1.7
203.03532	2.9
203.07152	10.1
204.04231	2.4
205.01329	3.9
205.05060	10.7
207.04211	1.3
212.04675	1.5
214.02856	1.2
215.03474	3.7
216.04179	2.7
217.05022	2.6
217.08574	1.6
221.05675	1.4
225.05566	1.5
227.03413	3.2
227.07072	2.7
228.04292	2.8
229.05031	3.6
230.05898	1.4
231.03090	1.7
241.05113	1.7
243.03018	3.3
243.06569	2.3
245.04509	9.8
245.08165	9.1
247.05980	1.9
255.02948	9.9
255.06638	1.7
256.03732	10.8
257.04504	3.3
269.04492	2.5
271.05930	1.4
272.03403	1.3
273.04089	1.4
279.12155	1.7
281.04556	5.4
283.02499	6.8
283.05759	2.3
285.04028	4.4
286.33786	1.4
287.05615	10.8
288.02795	3.3
288.05869	1.8
289.07181	33.1
290.07513	2.5
295.06070	4.9
299.05582	7.8
299.16452	1.5
313.03687	1.4
339.08521	1.3
352.02991	1.8
353.10144	2.8
387.14377	1.9
407.07675	1.6
419.22427	3.1
451.10364	10.6
452.10522	1.7
479.13599	10.2
479.23007	28.3
480.23257	4.0
491.22910	7.4
609.23450	4.5
627.15289	1.9
627.24493	5.9
627.93829	1.3
628.24298	1.6
641.16577	1.9
641.25928	25.0
642.26007	4.8
643.27533	41.2
644.27930	8.4
653.26239	11.3
654.26099	2.4
664.92462	1.4
735.30200	3.5
761.28265	67.6
762.28418	15.2
779.29358	23.9
780.29480	7.0
805.30548	16.2
806.31427	3.9
904.54718	1.4
913.32953	2.2
931.34076	22.7
932.34082	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	931.34
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	9.3
71.14043	1.0
71.63316	1.2
73.02949	1.0
74.02165	1.1
83.01379	7.5
85.02943	2.5
87.00903	1.1
89.02439	4.1
93.03469	2.9
95.01400	2.4
95.05024	1.6
97.02957	4.1
99.00841	1.2
101.02486	5.1
108.02181	8.6
109.02966	12.8
111.00867	2.1
113.02445	3.1
114.23505	1.0
117.03540	1.5
121.02973	5.3
122.03750	7.3
123.04539	12.5
124.01682	7.5
125.02454	100.0
126.02792	3.8
133.02954	6.1
135.04529	3.8
136.01671	4.9
137.02461	25.9
139.04022	4.0
145.02948	1.4
146.03767	1.6
147.04506	2.3
148.01675	1.1
149.02458	7.5
150.03200	3.1
151.04027	8.6
154.02747	2.5
159.04475	2.8
160.05225	1.5
161.01073	1.9
161.02451	40.6
161.06082	4.6
162.03154	4.1
163.00392	3.5
163.04051	5.3
164.01164	8.2
165.01945	30.7
165.05580	1.8
166.02473	1.2
167.03561	1.9
171.08156	1.2
174.03140	1.4
175.04053	6.6
176.01083	2.4
177.01982	6.6
177.05582	2.6
179.03519	2.4
187.04030	5.2
188.04811	2.6
189.01950	1.4
195.06505	1.2
199.03949	1.2
201.05551	2.6
202.02814	1.1
203.03488	2.3
203.07147	7.6
203.72694	1.0
204.04123	1.1
205.01370	3.8
205.05130	8.0
215.03531	2.4
216.04245	1.6
217.01378	1.3
217.05051	3.0
227.03548	2.3
228.04211	1.4
229.05133	3.6
231.03014	1.8
241.05069	1.6
243.02916	2.3
245.04520	10.7
245.08224	2.2
251.07233	1.2
255.02969	6.7
256.03711	9.5
257.04388	3.8
259.88123	1.2
266.67703	1.1
269.04590	4.2
281.04541	3.5
283.02499	4.5
283.06015	2.0
285.03836	2.5
286.04956	1.3
287.05649	11.5
288.02710	2.0
289.07224	13.7
295.06061	3.8
298.04840	1.6
299.05676	1.3
407.07547	2.1
419.22061	2.6
425.08578	1.2
433.24164	1.3
451.10812	2.8
479.13400	1.9
479.22861	7.7
491.23019	7.0
609.23151	3.6
627.24170	5.4
627.70538	1.3
641.25983	7.3
642.26575	2.2
643.27563	46.9
644.27948	8.8
653.26428	12.5
654.26398	2.8
663.46661	1.3
683.27350	1.8
694.44403	1.2
735.30322	2.5
761.28180	50.5
762.28589	12.0
779.29388	14.7
780.29486	4.7
805.30963	14.8
806.30853	3.0
819.51477	1.2
931.33917	20.9
932.33936	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	931.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.1
69.75317	6.1
71.01383	15.1
72.99314	1.5
73.02990	1.1
81.03428	2.8
83.01389	12.7
85.02946	5.2
87.00902	1.2
89.02448	11.2
93.03449	4.9
95.01376	4.7
95.05009	4.4
97.02956	9.4
98.19880	2.3
99.04533	1.3
101.02439	8.9
105.03465	1.7
108.02200	5.7
109.02956	40.4
110.03304	1.5
111.00885	1.2
113.02419	6.8
117.03454	2.3
119.03484	3.6
121.02955	9.4
122.03734	4.0
123.00854	2.1
123.04532	26.7
124.01666	60.4
125.01626	1.9
125.02461	34.5
132.02054	1.3
133.02963	11.0
135.04565	6.0
136.01701	1.2
137.02446	50.6
137.18159	1.0
138.03149	3.3
139.04019	6.7
143.04930	1.1
145.02962	2.1
146.03703	4.5
147.04529	3.1
148.01643	1.2
149.02434	14.2
150.03191	5.3
151.04016	20.1
159.04576	6.4
160.01688	2.1
160.05289	3.4
161.02446	56.0
161.06049	7.9
162.03169	7.4
163.00430	6.0
163.04010	14.3
164.01158	14.3
164.04715	2.7
165.01970	8.2
165.05528	1.4
167.03447	3.0
173.02472	1.7
173.06026	2.3
174.03195	4.5
175.03995	17.3
175.07605	3.3
176.01126	3.8
176.04428	1.4
177.01894	8.2
177.05525	3.4
178.02641	1.9
179.03462	9.1
185.05969	2.0
187.04001	15.8
188.04803	8.7
189.01895	2.3
189.05495	3.2
190.02548	1.4
191.03471	3.9
199.03920	3.3
199.07585	1.3
200.04845	2.0
201.05574	4.1
202.02722	2.1
202.06303	3.6
203.03535	7.6
203.07132	19.4
203.96646	1.1
204.04202	2.5
205.01361	4.5
205.05049	14.8
211.04028	1.4
212.04720	1.5
213.05513	1.9
215.03465	4.8
215.07079	1.8
216.04211	1.2
217.04938	2.9
217.12370	1.2
221.08188	3.3
227.03468	3.5
227.07155	3.2
228.04276	3.6
229.05020	3.1
230.05656	1.8
231.02934	3.4
231.06587	1.5
241.05067	1.3
242.05936	1.6
243.02885	3.9
243.06482	1.2
244.03735	3.8
245.04388	2.6
245.08189	27.2
246.08501	1.3
247.06029	3.1
253.04912	1.3
255.03011	11.5
256.03754	12.0
257.04416	3.7
261.11310	2.5
269.04459	2.2
271.06027	2.0
272.03229	1.5
273.04065	2.5
281.04517	4.7
283.02515	8.7
283.05505	1.4
285.03958	2.1
286.04831	3.4
288.02655	3.0
289.07190	100.0
290.07587	6.9
295.06039	3.8
296.06845	1.4
299.05630	14.9
299.16446	4.9
308.06857	1.3
323.05637	2.4
327.05240	1.3
329.06503	1.8
339.08603	4.1
341.06937	1.7
409.09259	1.5
416.73434	1.3
433.14923	1.5
451.10376	26.7
452.10724	3.5
479.22870	85.8
480.23096	9.9
518.21741	1.6
519.22113	2.3
531.23138	1.6
599.25079	6.8
609.23322	3.0
627.24255	7.5
639.24048	1.3
641.26068	66.2
642.26410	12.2
735.30164	4.3
761.28101	61.8
762.28418	12.1
779.29205	46.9
780.29596	10.1
887.34955	1.6
931.33936	32.8
932.34576	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	931.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12277	2.0
69.03447	3.8
70.33702	2.6
71.01394	11.9
73.25763	2.3
79.14718	2.0
81.03466	4.6
83.01385	11.4
85.02967	3.6
89.02458	8.4
90.53594	2.4
93.03477	2.6
95.01416	2.7
95.05019	5.2
95.92521	2.5
97.02957	6.7
101.02452	6.6
106.02154	2.1
107.05094	2.7
108.02219	4.0
109.02967	33.6
113.02486	3.7
116.09899	2.2
117.03477	2.4
119.03504	2.9
119.04982	2.4
121.02955	6.3
122.03703	4.7
123.04536	23.6
124.01673	55.2
125.02467	28.5
133.02969	8.1
135.04575	5.2
137.02455	41.9
139.04013	4.0
145.02983	4.0
146.03755	2.9
147.04558	3.2
149.02486	14.3
150.03317	5.7
151.04024	14.9
159.04539	5.5
161.02454	55.3
161.06075	7.3
162.03119	3.6
163.00362	11.0
163.04022	8.3
164.01187	11.8
165.01910	8.5
167.03528	3.2
174.03192	5.7
175.04004	9.3
176.01245	2.5
177.01973	6.0
177.05594	2.5
179.03516	8.7
185.06021	4.0
187.04042	13.7
188.04787	5.0
189.01889	3.8
191.03488	4.8
199.03961	3.2
200.04845	3.0
201.05594	5.2
203.03488	4.6
203.07140	16.2
204.04016	2.5
205.01317	3.2
205.05128	11.1
205.37514	2.2
207.90190	2.1
215.03491	5.6
217.05185	3.2
221.08305	4.1
227.03534	9.3
227.07060	5.4
229.05022	3.8
243.03102	2.7
245.08231	22.3
255.03006	19.8
256.03647	8.7
257.04425	3.7
271.06216	2.4
281.04578	5.5
283.02475	5.9
284.03265	9.8
285.04016	14.9
286.04752	3.5
289.07205	100.0
290.07544	4.1
295.06094	3.4
299.05722	13.6
299.16449	3.1
339.08798	5.8
431.09845	25.5
432.10068	3.5
451.10300	29.1
452.10522	3.2
479.22910	78.6
480.23099	9.1
583.82593	2.5
599.25153	4.4
600.25861	2.5
609.23511	4.2
627.24603	8.3
641.16302	4.4
641.26068	57.4
642.26117	12.8
735.30341	5.2
761.28186	58.5
762.28656	10.3
779.29187	51.6
780.29413	8.5
892.64532	2.5
931.33972	28.5
932.34412	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	925.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07272	0.4
65.00326	1.2
75.18989	0.4
83.01388	0.6
98.19821	1.2
107.01398	2.4
108.02195	0.5
109.02965	1.9
121.02949	2.1
124.56071	0.4
135.00868	0.5
148.01636	0.7
151.00375	9.5
152.00659	0.5
163.00383	2.5
178.99870	4.6
181.63826	0.4
187.04034	0.7
188.40744	0.4
199.03960	0.5
201.05508	0.6
203.03487	0.4
211.04016	0.8
215.03543	0.4
226.02777	0.6
227.03528	2.1
229.05032	0.8
231.43735	0.4
243.02994	6.3
244.03412	0.5
245.04581	1.2
254.02235	1.0
255.02979	14.3
256.03552	1.2
257.04547	1.0
271.02484	29.6
272.02896	2.7
273.03876	1.2
283.02454	1.5
284.03284	0.4
285.04056	1.2
297.07629	0.4
299.01785	1.1
300.02750	58.5
301.03510	43.4
301.07172	0.5
302.03937	2.9
314.04395	3.6
315.04800	0.7
447.09338	100.0
448.09628	11.8
477.10318	7.6
478.10489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.3
68.69052	0.3
69.39228	2.5
75.02038	0.3
77.33791	0.3
90.09065	0.4
101.77744	0.3
107.01410	1.0
125.02444	0.7
127.17928	0.3
151.00380	2.7
164.01190	0.3
171.04549	0.4
178.99940	0.6
183.04520	0.3
185.06085	0.4
187.04033	0.7
192.00653	0.3
199.03987	1.2
211.03940	0.8
215.03485	1.3
226.02650	0.5
226.15140	0.3
227.03503	31.3
228.03809	1.8
229.05022	1.1
241.05258	0.4
242.02216	2.6
243.02991	13.7
244.03317	1.1
255.02997	40.3
256.03589	6.3
257.04550	4.6
270.01654	3.0
271.02469	12.0
272.02951	1.1
284.03278	46.0
285.04007	23.0
286.04602	3.3
299.02054	3.3
300.02710	2.2
314.04340	24.2
315.04935	5.1
327.05045	1.3
357.06271	0.5
447.09354	100.0
448.09674	11.4
448.15964	0.7
477.10406	59.4
478.10806	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	923.225
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03751	0.3
64.93674	0.3
66.32832	0.4
69.37115	2.8
86.37468	0.3
98.19831	0.8
104.35001	0.3
107.01384	0.6
108.02164	0.4
120.13219	0.3
125.02430	0.8
137.02431	0.5
151.00418	1.5
153.01918	0.5
155.05003	0.4
163.00423	0.4
171.04544	0.4
183.04510	0.5
199.04013	2.0
201.01927	0.7
215.03452	2.1
226.02722	0.7
227.03508	2.6
237.07631	0.3
242.02235	4.6
243.02968	22.6
244.03418	1.8
255.03009	3.2
257.04553	6.3
258.05072	0.4
270.01691	5.9
271.02457	22.5
272.02899	2.2
284.03268	0.5
285.04034	12.5
286.04749	4.2
287.05350	0.9
299.01984	9.8
300.02731	8.1
301.02972	0.6
314.04324	41.6
315.05035	26.3
316.05487	1.5
350.03482	0.4
357.06070	0.5
404.56323	0.4
431.09875	0.8
461.10883	100.0
462.11237	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	915.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.6
65.62492	0.2
69.28399	2.8
71.01369	0.3
83.01388	0.5
98.72157	0.3
101.02450	0.6
104.13599	0.3
107.01389	1.2
109.02961	0.4
121.02937	0.3
125.02425	0.7
135.00839	0.5
151.00362	3.8
161.89925	0.4
163.00397	1.1
163.04065	0.4
169.01456	0.4
174.03244	0.3
178.99881	2.8
187.03903	0.5
188.04726	0.4
190.02686	0.5
198.03215	0.5
199.03960	0.4
216.04207	0.6
226.02739	4.0
227.03433	2.0
243.02969	8.1
244.03195	0.4
254.02219	3.6
255.02982	4.8
256.03485	0.6
271.02463	41.7
272.02930	3.9
280.08664	0.4
295.20782	0.3
300.02734	49.9
301.03387	12.3
302.03757	1.0
343.04453	0.9
463.08795	100.0
464.09067	11.3
473.59366	0.3
769.66876	0.4
914.55353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85247	0.4
69.03480	0.5
71.01392	1.9
71.62988	0.5
85.02939	0.4
87.00863	0.6
89.02449	1.5
96.95982	0.4
101.02441	1.0
113.02437	0.7
119.03458	0.7
125.02456	0.6
137.28827	0.4
138.01266	0.4
148.81491	0.5
161.04555	0.4
177.16458	1.4
179.14415	1.2
207.16431	0.4
225.45723	0.4
235.08353	1.1
235.43571	0.4
239.16522	100.0
240.16829	6.1
273.56125	0.4
277.21756	4.1
397.13525	8.8
397.90643	0.4
398.13776	0.9
415.14621	3.2
416.14798	0.5
814.59583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.2
71.63862	0.1
78.25800	0.1
78.58727	0.1
79.95782	0.7
83.01408	0.1
85.28996	0.1
88.59729	0.1
89.02468	0.1
93.03438	0.1
95.25349	0.1
95.95230	0.2
96.96014	15.2
98.00887	0.1
109.03050	0.1
121.02969	0.1
125.02427	0.3
137.02426	0.4
149.02455	0.1
150.03256	0.2
151.03937	0.1
153.01904	0.1
161.02478	0.2
165.02013	0.1
165.05524	0.2
226.57214	0.1
233.08522	100.0
234.08835	5.1
285.03958	0.1
289.07211	0.2
301.85623	0.1
419.07684	0.1
463.24399	0.1
829.69104	0.1
834.87976	0.1
917.35254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63757	0.9
89.94285	0.8
95.50683	0.8
101.02470	1.0
108.02203	0.9
109.02917	1.2
117.37488	0.7
125.02462	2.8
132.97893	0.8
137.02509	1.5
141.64810	0.8
151.00348	0.8
161.02419	1.0
165.05530	0.8
179.03435	1.1
227.03493	33.2
228.03903	2.9
255.02982	44.8
256.03574	5.8
257.04657	0.9
284.03259	51.2
285.03842	9.6
289.07104	1.4
338.80008	0.8
417.08282	100.0
418.08603	10.2
494.21384	1.1
711.86127	0.9
795.42096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.9
69.44228	3.9
71.01391	13.5
72.99310	1.4
73.02935	2.2
75.00854	0.6
79.50002	0.5
81.03475	0.6
81.09740	0.5
83.01392	1.4
85.02946	3.4
87.00902	3.3
89.02456	12.0
95.01370	0.8
97.02959	2.1
99.00907	0.9
101.02454	11.2
113.02450	5.3
115.04016	0.8
119.03510	2.4
120.37106	0.4
121.03017	0.7
125.02460	5.8
127.03988	0.5
131.03511	0.5
141.01881	0.6
143.03539	2.3
161.04541	2.4
179.05663	3.0
221.06712	0.6
233.15475	100.0
234.15794	7.4
235.08223	7.5
253.09267	1.4
255.23274	1.8
277.21768	1.2
281.24875	42.2
282.25186	4.1
287.07724	2.9
305.08701	3.0
323.09909	0.9
379.12225	0.7
397.13535	72.8
398.13870	6.3
415.14594	21.4
416.14893	2.2
679.39264	6.0
680.40021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4899
Annotation	C21217
Peak:m/z	Relative Intensity
66.17274	0.5
69.03448	2.0
71.01391	5.6
71.30419	0.6
71.30744	0.8
72.99297	0.7
73.02935	0.8
77.03984	0.5
83.01393	6.7
85.02911	0.9
89.02433	1.3
93.03469	3.3
95.01385	1.7
95.04996	0.5
95.93202	0.5
97.02950	5.9
101.02440	1.5
107.05027	0.7
108.02177	2.7
109.02954	10.6
113.02422	1.2
116.14734	0.4
116.92867	1.2
119.03564	0.5
121.02957	7.5
122.03751	9.8
123.00861	1.0
123.04542	7.7
124.01650	4.9
125.02458	3.1
135.04552	2.9
136.01721	1.1
136.37473	0.6
137.02448	45.1
138.03362	2.2
139.04054	3.3
145.02930	0.9
146.03712	2.3
147.04396	0.6
148.05278	0.7
149.02461	4.2
149.06097	0.7
150.03236	1.5
151.04013	4.2
154.02736	2.3
158.03685	0.6
159.04489	2.6
161.02399	2.1
161.06104	6.1
162.03241	1.9
163.00313	0.8
163.04112	2.3
164.01163	8.0
165.01930	51.9
165.05583	1.4
166.02296	2.0
173.02565	0.5
173.06113	0.8
174.03143	0.6
175.03986	1.6
175.07573	0.5
177.05580	3.3
178.06335	0.5
179.03513	4.4
185.06015	0.7
187.04012	2.5
188.04770	1.2
190.02699	0.5
201.05606	2.3
202.06311	1.1
203.03528	1.0
203.07159	8.2
204.04231	1.3
205.05043	9.7
225.11333	0.8
231.02948	1.3
244.07384	1.5
245.08099	0.8
247.06088	1.9
259.74304	0.6
273.22141	0.7
277.21716	6.6
279.23169	0.7
288.06375	2.2
291.23355	1.8
299.01895	0.5
299.16159	0.6
395.22101	0.6
397.13739	0.9
397.54730	0.5
419.22366	3.7
420.22375	1.0
463.21133	0.9
599.28235	0.8
643.27344	0.5
739.44678	0.9
751.44080	1.7
781.45740	0.6
859.49615	1.4
860.49878	0.8
903.49042	100.0
904.49396	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	903.4907
Annotation	C21217
Peak:m/z	Relative Intensity
69.03469	1.8
69.58787	1.6
69.59196	3.4
71.01382	3.8
72.99299	0.8
73.02935	2.2
78.95902	0.8
79.95736	1.0
80.96507	1.3
81.03481	0.9
83.01397	5.3
85.02958	0.9
88.70748	0.7
93.03452	4.1
95.01392	2.1
95.05009	0.8
96.34449	0.7
97.02962	6.1
97.21063	0.7
101.02470	1.2
108.02175	2.8
109.02962	11.6
113.02469	1.0
116.92905	0.9
121.02949	8.8
122.03761	7.9
123.04556	7.9
124.01688	4.6
125.02467	2.2
135.04538	3.2
136.01639	1.8
137.02460	41.6
138.03186	2.5
139.03990	3.2
140.50247	0.8
145.02945	0.9
146.03720	2.7
149.02452	4.7
150.03217	1.4
151.04004	5.0
152.99609	0.7
154.02693	3.1
158.03777	0.8
159.04480	3.4
161.02463	2.6
161.06085	6.4
162.03233	1.6
163.04001	2.2
164.01163	7.7
165.01938	50.5
166.02382	1.2
173.06009	1.6
175.03998	2.3
176.04781	0.7
177.05624	4.5
179.03485	6.0
187.03923	3.4
201.05576	1.7
202.06311	1.5
203.03569	0.9
203.07173	7.8
204.04277	1.4
205.05035	9.2
231.02911	1.1
244.07304	2.1
247.06091	1.3
277.21707	8.2
278.22015	0.9
288.06360	1.9
291.23331	1.6
315.08530	0.7
395.22198	1.1
419.22263	3.8
748.18677	0.7
751.44208	2.3
774.65948	0.8
859.50677	1.3
903.49060	100.0
904.49432	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.6
71.01390	3.9
72.99304	0.7
73.02944	1.2
74.15815	0.6
78.95903	0.6
80.96506	1.1
83.01411	6.1
85.02962	0.9
87.00881	0.8
89.02444	1.6
92.30678	0.5
93.03451	2.5
95.01401	1.7
97.02961	5.1
101.02436	1.9
105.05515	0.5
108.02175	2.4
109.02963	9.0
112.85599	0.5
113.02429	0.7
116.92854	1.1
121.02271	0.5
121.02977	6.7
122.03759	9.3
123.04542	7.4
124.01693	4.2
125.02432	2.5
135.04514	2.7
136.01637	1.5
137.02458	42.3
138.03156	2.1
139.04037	4.8
145.02931	0.7
146.03712	1.4
148.05338	1.0
149.02454	4.6
149.06091	1.5
150.03242	1.5
151.03999	3.1
154.02715	3.0
159.04489	3.5
161.02379	2.1
161.06087	4.1
162.03181	1.9
163.00403	1.1
163.04016	2.8
164.01164	7.2
164.04822	0.9
165.01941	50.5
165.05565	1.5
166.02328	2.1
173.06036	0.9
175.03984	2.5
175.07776	0.7
177.01967	0.6
177.05531	2.7
178.06351	0.9
179.03563	4.9
187.04028	2.6
188.04720	1.6
201.05574	2.0
202.06270	1.1
203.03389	0.7
203.07143	8.3
204.04308	1.5
205.05078	10.7
206.05487	0.7
231.02921	0.9
239.43150	0.5
244.07393	1.7
247.06047	1.5
273.22342	0.8
277.21796	7.4
279.23178	1.3
281.24966	0.8
288.06354	2.3
291.23337	1.5
335.68164	0.6
395.22165	0.9
397.13522	1.5
415.14642	0.8
419.22430	3.4
599.28442	0.7
751.44482	1.5
859.49835	1.2
903.49060	100.0
904.49426	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	895.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.5
69.41199	4.0
74.55927	0.4
80.12128	0.5
91.01899	0.6
93.03472	0.7
98.19940	1.1
107.01410	2.1
108.02168	0.7
109.02951	1.2
109.62879	0.4
111.44705	0.5
116.55553	0.4
117.03503	2.7
117.86548	0.5
118.52869	0.4
119.73439	0.4
121.02960	1.1
125.02453	1.1
135.00871	0.8
135.04608	1.1
148.01689	1.2
149.02455	1.1
151.00380	7.1
159.04477	0.7
161.02419	1.5
163.00372	1.5
163.04002	0.9
164.01199	0.9
165.01831	0.6
178.99875	3.6
179.64935	0.5
183.04506	0.6
191.03456	0.5
203.03590	0.8
211.04013	0.8
211.07666	0.7
226.02776	0.5
227.03487	1.7
239.03615	0.5
243.02943	5.6
244.03557	0.7
245.04538	0.5
254.02162	1.2
255.03011	15.4
256.03406	1.4
268.03815	0.9
269.04453	1.0
271.02481	33.3
272.02917	3.4
272.30756	0.4
273.03796	0.5
281.04587	0.9
282.05026	0.8
283.02979	0.8
283.06131	14.2
284.06406	1.3
293.04745	0.6
295.05994	0.5
300.02765	65.4
301.03464	29.7
302.03891	2.6
305.23737	0.4
311.05618	23.5
312.05975	2.7
323.05545	0.9
341.06595	2.7
431.09821	33.6
432.10159	5.0
463.08832	100.0
464.09164	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	897.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	2.3
69.49847	7.0
69.50262	3.9
71.01387	100.0
72.01726	1.8
72.99306	3.2
73.02947	5.0
75.00874	9.7
83.01422	2.8
83.04992	1.8
85.02966	8.3
87.00887	5.6
89.02458	21.1
97.02966	4.8
99.00860	3.9
101.02454	21.9
109.06599	3.8
111.00903	1.5
113.02460	12.0
116.92859	3.7
119.03493	5.0
125.02464	8.8
125.09702	2.4
127.11325	2.8
135.47444	1.3
141.01935	1.7
143.03523	3.8
152.99524	1.9
161.04582	3.5
163.11240	3.1
171.10281	55.3
172.10555	2.6
179.05576	3.7
181.12375	1.5
186.22137	1.5
199.09785	13.0
201.11320	15.0
207.10265	18.9
225.11343	12.2
231.58876	1.4
235.08205	6.4
243.12514	1.6
255.23302	78.8
256.23608	6.0
305.08801	2.3
373.55185	1.6
379.12512	6.6
397.13525	44.6
398.13882	3.4
415.14569	11.9
605.24823	1.9
623.25183	2.2
835.46625	2.7
861.47681	8.5
862.49835	3.6
897.50354	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	901.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51646	1.8
65.68900	2.0
70.12638	7.9
71.01386	20.9
71.05007	3.4
73.02940	4.0
80.96490	2.0
83.01369	2.3
85.02933	4.7
87.00868	4.0
88.89773	1.5
89.02454	10.0
95.01381	2.2
96.96062	2.1
97.02933	9.4
98.62064	1.7
99.00879	11.9
101.02467	11.8
109.06564	2.4
113.02435	5.0
116.92883	3.3
119.03458	2.1
125.02438	5.5
125.09800	4.5
137.02489	1.9
161.04565	3.2
163.11264	10.9
170.97919	2.1
171.10283	9.5
172.39566	2.0
179.05617	2.3
181.12340	13.9
197.11884	3.8
199.13454	16.8
201.11249	4.1
207.10268	34.0
208.10677	2.4
221.06682	4.1
225.11333	54.8
226.11612	3.5
226.88620	1.9
235.08162	2.4
243.12306	17.2
244.12834	1.9
248.23625	2.1
277.21732	26.0
278.22098	4.3
386.16040	1.8
397.13483	9.2
415.14282	3.9
439.89697	2.1
498.59714	2.0
559.64490	2.0
594.24988	2.0
605.24493	3.2
623.25574	9.5
643.64948	2.0
883.47192	13.3
884.46686	3.2
901.48083	100.0
902.48669	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.6
71.62761	0.9
82.47556	0.5
83.01432	0.7
93.03497	0.9
102.20840	0.5
107.01431	0.9
109.02983	1.1
116.92905	1.6
122.04662	0.6
122.10243	0.8
123.04562	0.7
125.02489	1.9
151.00418	1.7
153.01979	1.2
163.00502	1.4
165.01984	0.7
167.04951	0.7
178.99939	1.0
183.04572	0.7
185.06265	0.6
187.04094	2.2
199.04053	1.9
201.02005	0.8
211.04041	1.7
213.05663	1.2
215.03601	1.6
226.02722	0.9
227.03491	33.9
228.03860	2.7
229.05042	4.8
241.05132	1.0
242.02208	4.5
243.02962	20.6
244.03487	2.2
255.02977	50.4
256.03537	6.1
257.04507	8.3
270.01636	4.2
271.02460	20.7
272.02847	1.6
280.81540	0.6
284.03253	50.7
285.04013	67.4
286.04568	8.7
287.05457	0.7
299.01938	7.7
299.05084	0.7
300.02716	8.0
314.04324	37.9
315.05035	23.0
316.05386	1.5
357.05975	0.6
431.09796	100.0
432.10141	12.6
461.10876	87.3
462.11279	11.8
462.87216	0.7
467.13351	0.7
506.75256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	0.5
71.01388	22.4
71.19843	0.3
71.62754	0.5
72.01709	0.5
72.99323	1.0
73.02956	8.9
73.03338	0.6
74.95991	0.3
75.00890	0.7
83.01389	3.8
85.02958	11.0
85.03433	0.7
86.00097	0.9
87.00893	1.7
89.02465	4.3
90.51082	0.4
95.01368	2.1
97.03001	1.0
99.00882	4.0
99.04504	0.5
101.02451	16.3
102.02851	0.5
108.57157	0.4
111.00901	0.4
113.02456	9.0
114.49616	0.3
115.04050	0.4
119.03529	0.5
123.04523	2.6
125.02470	3.2
131.03519	0.9
135.02771	0.8
137.02484	0.9
143.03540	1.3
147.82039	0.4
149.04610	0.6
159.03003	1.6
161.02504	0.7
161.04568	8.8
161.05849	0.6
161.67085	0.5
165.02034	0.4
179.01778	0.5
191.05783	0.5
203.14465	0.9
205.12450	1.0
205.15947	0.4
207.13805	0.6
221.15451	1.1
252.66124	0.5
267.16013	36.7
268.16336	3.3
293.08749	0.4
331.17609	8.6
332.17874	0.7
381.53790	0.5
429.21286	89.2
430.21667	10.7
430.25806	0.2
463.21860	100.0
464.22189	13.2
529.15363	0.5
676.63873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	14.0
69.03458	3.1
71.01377	23.0
71.62899	2.9
71.63264	2.9
73.02944	5.0
76.99442	1.9
78.10196	2.1
78.95913	5.1
83.01417	2.5
85.02987	5.7
86.64670	2.5
87.00871	5.7
89.02454	18.5
95.01385	2.4
97.02930	2.5
101.02457	18.2
113.02441	12.6
116.92843	9.5
119.03500	4.3
125.02428	10.0
127.11298	3.4
143.03506	3.2
150.98303	2.4
152.99588	6.0
161.04559	4.4
163.15894	2.3
171.10268	100.0
172.10611	4.3
179.05542	4.3
209.11810	39.6
210.12152	3.0
221.06635	3.0
227.12827	4.2
235.08224	7.1
238.36786	2.0
277.21713	80.7
278.21997	8.5
281.24841	18.8
282.25189	2.5
305.08862	4.3
314.66107	2.2
379.12531	20.3
397.13495	65.5
398.13770	4.0
415.14725	11.8
474.94543	2.4
569.24292	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	887.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	1.8
64.04541	0.3
67.14835	0.3
69.03448	0.5
71.01386	9.3
71.63736	0.3
72.99303	1.0
73.02945	1.6
80.55097	0.3
81.03442	0.4
83.01394	1.1
85.02950	1.8
87.00880	2.1
88.98863	0.3
89.02445	8.1
92.58234	0.2
95.01376	0.5
96.96029	0.3
97.02957	1.4
99.00887	0.4
101.02444	7.5
109.02901	0.4
110.50817	0.2
111.04428	0.3
113.02444	3.5
116.92863	0.3
119.03497	2.5
125.02466	4.2
127.03951	0.3
143.03522	1.3
161.04530	2.1
165.09212	2.6
167.03482	0.3
179.05595	2.1
185.04364	0.4
203.05362	0.3
209.11864	3.2
221.06589	0.6
227.12764	0.4
233.15463	100.0
234.15807	9.0
235.08253	4.7
253.09317	0.7
255.23302	21.8
256.23624	1.8
260.41846	0.3
263.07703	0.3
277.09235	0.3
279.23291	1.1
287.07776	1.9
302.58777	0.4
305.08847	1.7
323.09747	0.5
379.12521	0.5
397.13501	51.2
398.13791	4.2
407.98447	0.3
415.14581	14.9
416.14789	1.5
429.36124	0.3
640.51703	0.3
653.37628	3.8
654.37817	0.6
887.47668	0.6
889.88947	0.3
907.71997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	7.5
62.48477	1.0
63.77943	0.9
69.03448	1.4
70.36262	1.2
71.01382	18.8
72.99329	1.6
73.02951	3.2
78.95900	1.6
81.03465	1.5
83.01378	1.7
83.05019	1.8
85.02953	3.9
87.00884	4.5
89.02447	16.3
95.01370	1.3
97.02956	3.8
99.92577	1.2
101.02446	12.5
113.02455	10.2
114.16145	1.0
116.92849	6.3
119.03511	4.1
125.02422	8.6
125.09705	1.2
127.11268	1.8
130.18283	0.9
143.03448	2.5
161.04514	4.5
163.19095	1.0
171.10266	100.0
172.10649	3.5
179.05623	4.3
209.11836	20.5
210.12177	1.9
217.07153	1.7
221.06676	2.7
227.12785	2.5
235.08246	5.0
245.06744	1.3
259.08261	1.5
277.21719	57.2
278.22086	4.9
279.23203	2.6
280.23734	1.3
281.24872	6.7
287.07727	1.8
305.08762	2.3
337.52264	1.1
379.12430	16.1
380.13004	1.8
389.65366	1.0
397.13458	46.6
398.13968	3.5
415.14539	9.0
473.41669	1.1
551.23291	3.1
569.24481	3.6
675.35962	1.7
747.82343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
63.18626	0.2
71.01374	0.4
78.95905	0.2
79.95737	0.3
80.96520	0.4
83.19223	0.2
85.88934	0.2
89.02470	0.2
89.69473	0.2
99.92615	0.2
116.92885	0.5
140.67827	0.2
186.05319	0.2
202.24850	0.2
207.10329	0.3
209.11919	0.5
225.11450	0.4
277.21838	0.5
279.23370	0.3
316.08289	0.3
469.77328	0.3
635.85266	0.3
705.05627	0.3
851.62213	0.3
885.47656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.56754	1.5
78.95901	0.4
80.96517	0.5
98.20644	0.4
123.27979	0.2
152.99608	0.3
156.02454	0.2
207.10248	0.3
237.53728	0.2
254.60796	0.2
566.26361	0.2
885.47461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.8
69.03450	1.2
69.39574	1.8
69.39985	3.1
71.01384	16.2
72.01738	1.0
72.99311	2.4
73.02937	3.1
73.04779	0.6
75.00869	0.8
79.81292	0.5
81.03441	1.0
83.01389	2.4
83.05041	1.5
83.46643	0.6
85.02947	3.2
87.00871	4.6
89.02441	12.3
95.01389	1.6
97.02945	3.9
101.02444	15.7
101.03085	1.1
113.02450	7.5
116.92889	1.1
119.03512	3.4
124.32697	0.5
125.02430	6.9
129.97281	0.6
143.03519	2.9
147.68535	0.6
149.04543	0.8
151.04037	0.8
161.04539	4.0
162.04808	0.6
179.05591	3.3
185.11848	0.9
197.38472	0.6
209.11819	16.7
210.12170	7.1
211.12387	1.0
221.06592	1.5
227.12958	3.1
228.13321	0.7
233.15457	100.0
234.15811	7.7
235.08237	7.4
253.09280	1.3
255.23291	37.8
256.23438	2.9
276.43024	0.6
277.21747	5.1
278.22025	3.6
279.23132	3.7
280.23672	0.6
287.07767	2.3
305.08740	4.6
306.08823	0.7
323.09607	1.0
327.63449	0.6
379.12311	1.4
397.13483	92.3
398.13849	9.6
399.14014	1.7
415.14548	24.6
416.14902	3.1
653.37555	8.3
654.37708	1.1
757.44409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	16.6
63.65673	2.1
71.01388	31.4
71.62730	2.4
72.99310	3.5
73.02950	5.5
83.01402	3.3
83.05052	5.5
85.02964	4.1
87.00896	7.1
89.02442	22.9
92.77517	2.3
95.01395	2.4
97.02963	4.1
101.02451	19.9
109.82519	2.2
111.08105	2.6
113.02458	11.9
116.92875	6.9
119.03535	3.6
123.05703	2.4
125.02436	10.4
127.11301	4.6
143.03505	3.4
161.04536	6.8
163.11276	3.7
169.12607	2.0
171.10329	3.6
174.01692	3.7
179.05618	5.3
191.03387	2.7
195.13950	3.1
197.11832	13.1
201.11325	78.7
201.13200	4.4
202.11752	5.1
209.11836	100.0
210.12274	6.3
211.13423	8.8
223.13362	3.2
227.12883	14.9
235.08202	10.7
251.08000	2.1
253.09264	14.4
255.23305	79.2
256.23633	9.9
275.20258	4.2
277.21765	7.5
291.19537	13.6
293.21243	51.2
294.21576	6.0
309.20715	28.5
379.12454	16.9
397.13504	70.1
398.14096	5.5
398.25464	2.6
415.14780	12.8
585.41882	2.5
653.37445	9.0
654.37305	2.7
714.43750	2.3
881.49603	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	881.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.7
69.58173	3.5
71.01366	1.6
81.03446	1.4
83.01391	3.1
89.02436	1.1
89.03952	0.6
93.03461	1.6
95.01375	1.4
95.04994	0.8
97.02955	1.4
101.02423	1.1
107.01372	0.6
107.05016	1.4
109.02958	9.9
111.04510	0.9
113.02439	1.0
113.99530	0.7
121.02966	2.0
123.00852	1.0
123.04532	2.4
124.01650	0.7
125.02446	100.0
126.02791	2.8
131.05000	0.7
133.02974	3.5
135.04550	2.5
137.02449	17.9
138.02933	0.9
139.03999	7.0
145.02969	0.6
147.04530	1.7
148.61777	0.5
149.02460	2.2
149.06059	1.2
150.03230	0.7
151.00392	0.9
151.04008	6.2
159.04504	2.5
161.02438	26.9
161.06100	1.0
162.02956	2.1
163.00401	2.5
163.03989	2.9
164.01135	5.5
165.01926	7.4
167.03488	5.9
173.06082	0.7
174.03230	0.9
175.03998	12.6
176.04408	0.8
177.01917	11.7
177.05531	1.4
178.02431	0.6
179.03505	3.7
187.03992	2.5
189.01884	1.4
191.03423	1.3
193.05048	1.0
199.03941	3.0
200.04585	0.7
201.01958	0.7
201.05573	1.6
203.03481	2.5
204.04147	0.8
205.01462	1.6
205.05060	1.3
211.04077	1.1
213.05614	1.0
214.02650	0.8
215.03577	1.7
217.01341	1.1
217.05023	5.9
219.03001	3.2
219.06503	3.4
221.04636	1.8
225.05638	1.1
227.03467	1.6
229.05043	2.3
231.02966	1.3
241.05202	1.0
243.02956	15.7
243.06760	1.0
244.03290	1.3
245.04520	7.9
245.08287	1.2
246.04926	0.6
255.03018	7.1
256.03561	2.2
257.04663	1.5
261.03998	5.0
269.04495	2.8
270.04987	0.6
271.06168	0.9
273.04028	1.7
281.04581	1.0
282.01724	1.1
283.02478	4.4
283.05441	0.8
285.04156	2.3
287.05585	24.3
288.06058	2.2
289.07184	3.2
297.04010	2.0
299.05594	2.1
299.14935	1.4
305.06659	20.6
306.07068	1.5
323.13501	3.2
327.05374	0.8
347.07675	0.9
357.06287	1.4
363.05338	0.9
391.04816	0.7
395.07562	0.9
397.09216	0.8
405.06006	3.7
407.07855	1.8
413.08713	7.0
423.07184	18.3
424.07666	2.4
425.08707	1.9
441.08282	4.3
442.08762	1.2
449.08786	4.6
451.09036	0.6
461.20163	0.8
467.09778	7.6
468.10315	0.8
533.11072	1.6
541.07733	1.9
543.09448	1.2
559.09161	1.8
561.10663	1.0
575.11865	9.4
576.12360	1.3
577.12573	0.7
585.10693	1.1
593.12952	8.9
594.13373	1.4
603.11493	1.0
711.13416	6.1
712.13855	1.7
713.16101	1.2
729.14362	1.7
755.15784	0.8
881.19501	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	881.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
69.69229	2.7
69.69644	1.4
70.50240	0.6
71.01390	1.9
81.03445	1.3
83.01406	3.5
87.04283	0.6
89.02457	1.3
93.03484	1.3
95.01412	1.5
97.02927	1.0
99.04528	0.9
101.02428	2.1
107.05060	1.6
109.02955	11.2
111.04541	1.2
121.02961	2.5
123.00914	1.9
123.04532	3.0
124.01653	2.1
125.02448	100.0
126.02773	3.5
131.05022	1.2
133.02950	5.7
135.04549	2.5
137.02449	18.3
138.03012	0.8
139.04018	5.5
147.04533	1.7
149.02461	3.7
149.06078	0.7
151.04021	7.7
158.03787	0.8
158.89467	0.6
159.04506	2.5
161.02443	27.4
162.03014	1.4
163.00345	2.7
163.03986	4.6
164.01118	6.1
165.01920	10.1
166.02419	0.8
167.03456	6.9
173.06096	1.2
174.03244	0.7
175.04001	11.8
176.04341	0.7
177.01924	10.9
177.05563	2.1
178.02475	1.3
178.13925	0.7
179.03511	5.4
185.06013	1.0
187.03966	2.1
189.01947	2.4
189.05571	0.9
191.03453	1.8
193.05055	0.7
199.04025	3.8
201.05568	2.3
203.03505	3.6
203.07143	1.0
204.04155	0.9
205.01328	1.3
207.02901	0.6
211.04053	0.8
213.05559	1.1
215.03535	1.6
215.07449	0.9
217.01489	1.2
217.05022	6.4
218.05658	0.8
219.02982	2.7
219.06557	4.2
221.04556	1.8
225.05608	1.3
227.03526	1.9
228.04382	1.0
229.05092	2.0
231.03059	0.9
241.05054	1.5
243.02954	17.0
243.06671	1.6
244.03476	1.1
245.04524	9.1
245.08235	1.1
246.04962	1.0
253.05115	0.8
255.02980	6.1
256.03720	2.0
257.04535	2.2
261.03995	5.7
261.06628	0.8
261.07718	0.8
269.04544	4.7
270.05093	0.9
271.06125	1.1
273.04117	2.3
281.04556	1.0
283.02490	4.0
283.06030	0.7
285.04025	2.6
287.05615	25.4
288.06006	1.9
289.07214	3.4
293.04538	1.1
297.04041	2.6
299.05505	1.9
303.05325	0.8
305.06665	20.1
306.07053	2.6
323.13480	2.7
327.05188	0.8
329.06555	0.9
331.08206	0.8
357.06009	1.2
363.04773	1.0
381.06284	1.2
387.05164	0.8
399.06970	0.9
405.06000	4.4
407.07663	2.2
411.07526	0.7
413.08911	6.1
423.07184	21.5
424.07449	3.6
425.08792	1.6
435.07330	1.2
441.08279	5.1
449.08905	5.3
465.08334	1.3
467.09906	8.5
468.10181	1.8
533.11139	1.4
541.07886	1.8
543.09680	0.8
559.08844	1.6
561.10608	1.2
575.11816	7.7
576.12573	1.2
585.10382	1.8
587.11768	0.9
593.12885	9.3
594.13379	1.7
603.11737	1.3
635.13696	0.7
711.13538	5.4
712.13885	1.7
713.15161	1.3
729.14764	2.0
755.16028	2.2
881.19470	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	881.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.8
69.03448	0.8
71.01387	1.2
71.62173	0.9
73.02910	0.6
76.58102	0.5
80.33601	0.5
81.03458	1.9
83.01390	4.3
89.02446	0.8
93.03455	1.7
95.01402	0.8
95.05032	0.8
97.02956	1.7
101.02450	1.1
105.03478	0.6
107.05058	1.6
109.02956	11.1
111.04507	1.0
117.03484	0.9
121.02985	2.6
123.00867	2.1
123.04537	2.5
124.01678	1.8
125.02446	100.0
126.02768	4.5
131.05048	1.0
132.02214	0.7
133.02962	5.3
135.00781	0.7
135.04524	2.1
137.02444	20.1
137.03497	1.1
138.03114	1.3
139.03012	0.9
139.04018	7.5
145.02927	1.0
147.04434	1.2
149.02478	2.9
149.06053	1.2
150.03223	0.7
151.04007	7.6
157.03027	0.6
159.04538	2.6
161.02443	27.7
161.06065	0.6
162.02936	1.7
163.00426	2.8
163.04021	2.3
164.01151	6.8
165.01935	9.3
167.03499	8.1
173.06090	1.6
174.03242	1.3
175.04005	12.3
176.01128	0.8
176.04344	1.0
177.01944	14.0
177.05536	1.9
178.02542	1.7
179.03520	5.6
187.04041	3.0
189.01926	1.8
189.05621	0.9
190.02641	0.6
191.03474	1.6
191.07118	0.6
192.04277	0.7
193.05084	1.4
197.06041	0.7
199.03999	3.1
201.01865	0.9
201.05600	2.4
203.03510	3.1
204.04219	0.8
205.01408	1.1
205.05014	1.0
207.06674	1.6
211.04033	1.0
213.05640	0.9
214.02725	0.8
215.03554	2.1
217.01421	1.6
217.05054	5.6
219.03017	3.8
219.06577	6.5
221.04601	2.8
225.05573	0.8
227.03511	3.2
229.05072	2.1
243.02979	13.1
243.06654	1.7
244.03618	1.2
245.04550	10.2
246.04980	1.1
253.05077	0.8
255.02989	7.4
256.03784	2.7
257.04532	2.4
259.06061	0.8
261.04001	5.6
261.07666	1.2
261.68469	0.6
267.02975	0.7
269.04529	3.5
273.04016	2.2
281.04538	1.3
282.01730	0.7
283.02484	4.3
284.02808	0.6
285.04089	3.2
285.06946	0.7
286.04401	0.8
287.05588	25.2
288.05984	2.4
289.07101	4.1
297.04126	2.4
299.05524	3.0
305.06641	21.9
306.07016	3.6
307.07138	0.6
321.69254	0.6
329.06952	0.6
331.08237	0.6
337.07275	0.7
339.04794	0.6
347.07831	1.0
355.08344	1.2
357.06488	0.6
367.07938	0.7
387.04886	0.7
387.13507	0.7
397.09378	0.9
405.06033	3.6
406.06677	0.8
407.07532	1.6
411.07458	2.7
412.07837	1.3
413.08658	8.0
414.08682	0.6
423.07190	21.7
424.07404	2.8
425.08649	2.9
441.08084	5.2
442.08881	1.2
449.08667	4.3
465.08441	1.0
467.09842	9.7
468.10193	2.0
476.18454	0.8
477.19046	0.8
533.10742	1.7
541.08081	1.3
543.09381	1.4
549.14154	0.6
557.11261	0.6
559.09039	1.8
560.08521	0.7
561.10144	2.1
575.11908	7.6
576.12372	1.3
577.10095	0.6
585.10437	1.1
593.12952	10.7
594.13666	2.0
603.11371	1.5
693.12726	0.9
711.13208	5.6
713.15100	1.2
729.14618	1.8
735.37207	0.8
755.16388	1.7
764.18042	0.6
881.19537	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	881.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14110	0.4
83.01350	0.5
107.01375	0.9
108.02203	1.4
109.02918	0.6
121.02957	0.9
125.02412	0.4
135.00850	0.7
148.01717	0.8
149.02650	0.5
151.00392	4.7
156.41095	0.5
162.71097	0.5
163.00392	0.8
178.99876	2.5
192.00479	0.5
226.02730	0.6
227.03474	3.9
243.02939	5.7
244.03513	0.7
245.04347	0.6
254.02193	1.7
255.02988	19.6
256.03470	2.1
271.02481	37.6
272.02911	3.6
283.02084	0.6
284.03299	3.4
285.03918	1.6
299.02182	0.7
300.02756	88.4
301.03381	22.6
302.03925	1.8
384.74817	0.6
433.07748	100.0
434.08105	11.9
447.09244	6.6
448.09549	0.7
458.69318	0.6
621.54645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.2
84.09017	1.1
86.89056	1.0
91.42733	1.0
98.20667	1.8
101.02520	1.1
107.01410	2.0
108.02194	2.0
109.02937	3.2
121.02996	1.5
125.02477	2.4
143.55058	1.0
151.00371	5.7
163.00389	2.0
167.03554	1.8
167.62399	1.1
178.99901	3.8
199.03986	2.4
204.26584	1.2
211.04074	2.0
215.03374	1.2
225.11320	4.3
227.03528	15.9
229.05032	3.2
242.02136	2.1
243.02933	15.7
255.02971	27.9
256.03622	2.5
257.04535	4.4
270.01724	3.7
271.02469	21.6
272.02890	2.4
274.71402	1.2
284.03226	23.2
285.03986	31.7
285.07059	2.0
286.04654	4.3
299.01950	5.5
300.02747	30.1
301.03516	25.1
302.03928	2.6
314.04330	27.9
315.04919	10.2
327.14374	2.5
431.09805	39.1
432.10370	6.3
447.09308	100.0
448.09756	12.2
463.08905	1.2
879.30792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	9.2
67.34910	1.5
69.03471	1.8
69.39190	13.3
71.01392	17.9
71.05021	2.5
73.02966	2.8
78.95910	2.0
83.01382	1.6
83.08051	1.4
85.02955	4.6
87.00894	4.9
89.02444	12.1
96.96029	2.0
97.02939	5.6
97.06545	2.0
99.00868	13.8
101.02448	12.8
113.02430	5.5
116.92857	6.4
118.55370	1.5
119.03523	3.2
123.08200	2.3
125.02444	2.6
125.09731	6.5
161.04591	2.4
163.11276	6.9
171.10252	4.5
181.12347	11.9
181.50247	1.7
190.03630	1.3
199.13470	9.6
207.10291	25.6
221.06638	2.6
225.11333	35.7
243.12401	8.3
248.28551	1.6
255.23312	51.2
256.23657	4.2
265.43008	1.5
397.13516	6.4
493.23492	1.7
605.24316	2.3
861.48895	10.4
862.48853	5.2
879.49615	100.0
880.33136	2.4
880.50049	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	871.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	5.0
67.01883	0.9
70.40034	0.8
70.40390	0.7
70.65579	0.3
71.01385	0.8
71.74922	0.3
73.53732	0.4
85.02934	0.4
88.98824	1.1
89.02448	0.4
89.28884	0.4
93.03442	0.5
94.08352	0.4
104.11679	0.4
105.56942	0.4
107.05002	0.4
109.02949	2.2
109.75075	0.4
111.00886	0.4
113.34605	0.4
121.02992	0.4
123.00876	0.9
123.04428	0.4
124.01635	0.5
125.02455	1.1
135.04532	0.4
136.01659	1.3
137.02451	22.7
138.02861	0.8
139.04051	0.6
145.02965	1.2
147.00868	0.7
147.04594	0.8
148.01674	0.4
149.02448	1.6
150.03220	1.1
151.00401	3.4
151.03979	2.4
152.01102	0.5
153.01935	0.5
161.02429	0.9
162.03249	1.6
163.04025	2.2
164.01189	1.9
164.04803	1.3
165.01932	100.0
166.02672	8.9
167.03494	0.5
168.04361	0.5
174.03226	0.9
175.03976	3.3
176.04774	1.4
176.93251	0.4
177.01961	1.1
177.05609	1.9
178.02573	0.6
179.03500	17.4
179.07126	1.1
179.69414	0.4
180.04285	51.2
181.05066	25.7
181.06761	0.7
182.05371	1.2
188.04778	0.8
189.05547	1.7
190.06372	3.4
191.03522	0.8
191.07094	3.1
192.04330	1.0
193.05078	1.8
194.05832	5.6
195.03033	3.1
195.06624	57.9
196.07011	3.2
203.07091	0.7
205.05072	0.7
205.08688	3.4
206.05826	0.4
207.06642	3.5
208.07375	1.6
209.08197	4.8
210.05339	9.9
211.05922	0.6
222.08998	0.8
225.07681	43.1
226.08029	3.2
289.07040	0.6
373.12955	1.1
374.13629	0.7
375.14566	1.0
388.15439	0.5
389.16071	15.4
390.16302	1.6
403.13959	3.5
404.14633	0.9
418.16495	0.7
419.17166	0.9
440.75961	0.4
451.16129	2.0
459.99680	0.4
524.62384	0.4
529.16919	0.4
553.20935	0.5
566.21704	0.6
567.22418	8.2
568.22864	1.2
596.22595	1.7
597.23444	8.1
598.23401	2.0
615.24756	3.3
630.22705	0.5
643.24353	0.6
644.24542	0.5
645.25244	3.8
646.25775	1.1
651.23944	0.4
775.29462	3.4
776.30328	0.8
793.29633	0.5
823.31525	1.7
824.32605	0.6
871.33209	1.8
878.91388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	4.8
67.01913	1.0
69.39137	3.1
71.01389	0.6
75.87374	0.4
77.73759	0.3
88.98806	0.5
101.02445	0.6
104.79267	0.4
104.92831	0.3
109.02966	1.7
113.02424	0.4
116.40118	0.3
121.02958	0.4
123.00916	0.6
123.04570	0.5
125.02448	1.0
135.04524	0.5
136.01715	0.9
137.02444	19.4
138.03143	0.8
145.02930	0.6
148.01689	0.5
149.02481	1.1
150.03203	0.5
151.00345	1.6
151.03981	2.6
153.05579	0.6
161.02441	0.9
162.03236	0.3
163.04059	1.5
164.01138	0.9
164.04828	0.6
165.01929	100.0
166.02406	5.6
168.04327	0.5
174.03186	0.5
175.02699	0.3
175.03926	1.6
176.01102	0.4
176.04761	0.7
177.01952	0.8
177.05580	0.8
179.03491	15.6
179.07011	0.7
180.04280	51.8
181.05042	12.7
182.05440	0.5
188.04770	0.5
189.05573	0.6
190.02802	0.6
190.06400	1.1
191.03584	0.7
191.05406	0.3
191.07059	1.5
192.04271	0.8
193.05074	1.3
194.05833	4.6
195.03026	2.4
195.06618	63.5
196.06984	3.3
203.07117	0.4
205.04915	0.4
205.08690	1.4
207.06598	1.9
208.07216	0.8
209.04395	0.5
209.08180	2.8
210.05336	9.9
211.05807	0.9
215.78024	0.3
223.06113	1.2
225.07677	58.9
226.08005	3.4
285.04309	0.4
289.06860	0.5
351.21753	0.6
375.14539	0.6
389.16089	9.6
390.16367	0.9
403.13782	0.9
413.87054	0.4
418.16098	0.4
419.16806	0.6
567.22430	3.4
568.22363	0.6
575.56610	0.4
597.23505	5.0
598.23798	1.4
615.24432	2.6
616.24731	0.7
643.23724	0.7
645.25702	2.8
646.25006	0.6
775.30505	0.5
823.31708	1.0
824.31946	0.6
871.33521	2.0
872.34113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01392	0.2
73.70582	0.1
74.54887	0.1
89.02461	0.2
101.02435	0.2
111.00847	0.1
116.92851	0.2
131.73528	0.2
152.99608	0.3
211.13354	0.8
279.23465	0.5
301.21826	0.5
302.22275	0.2
397.13791	0.3
871.49957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.9
71.62346	0.5
76.56570	0.3
80.02670	0.6
81.03445	2.8
83.01380	3.8
83.90600	0.3
93.03469	1.7
95.01389	0.8
95.05021	4.6
97.02953	7.1
104.52428	0.3
107.95560	0.3
108.02180	1.1
109.02957	24.8
110.03281	0.7
111.04589	0.4
117.03474	0.5
121.02953	3.2
122.03720	1.2
123.04529	17.7
124.04899	0.7
125.02444	16.3
126.02834	0.7
129.70482	0.3
133.02917	0.5
135.04535	1.8
137.02441	10.5
138.03178	1.0
139.03996	3.6
143.05122	0.4
145.02950	1.3
146.03758	1.0
147.04500	1.1
149.02429	4.4
150.03235	2.0
151.04005	8.6
151.67342	0.4
157.06549	0.4
159.04506	3.0
159.96008	0.3
160.05295	2.0
161.02448	1.1
161.06071	5.3
162.03224	2.0
163.03984	1.0
164.01134	4.2
165.01915	4.3
166.02676	0.4
166.60268	0.3
167.03528	2.0
173.06078	1.0
174.03142	0.6
175.04071	2.5
175.07544	2.3
177.05502	0.5
179.03496	6.0
179.04941	0.6
180.04199	0.3
185.06067	0.8
187.04010	5.7
188.04742	3.6
197.17964	0.3
199.07634	0.5
201.05624	1.1
202.06326	2.4
203.03394	0.5
203.07132	14.1
204.07477	1.0
205.05040	8.0
206.05344	0.4
209.06091	0.3
212.04785	0.9
217.05022	0.5
217.08630	0.8
221.08183	3.5
227.07120	2.3
229.05006	0.5
230.05801	1.0
231.02971	0.4
243.03149	0.3
245.08185	19.0
246.08490	1.0
247.06094	1.1
255.02663	0.4
271.06110	1.0
285.03998	1.0
289.07172	100.0
290.07513	7.9
391.58575	0.3
391.91763	0.4
419.16891	1.5
456.41583	0.3
544.16626	0.3
759.63556	0.4
793.20642	0.4
812.83441	0.4
871.28345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98515	0.9
61.98831	15.0
67.01894	0.6
68.99817	1.2
71.01363	1.4
78.36575	0.5
83.01380	0.5
85.02956	0.9
88.98833	1.0
90.85744	0.5
93.03438	1.0
96.95995	0.7
98.20650	0.9
99.79411	0.5
101.02428	1.0
108.02174	0.7
109.02964	3.1
111.00829	0.6
113.02445	0.9
121.02969	0.7
123.00886	2.6
123.04504	1.1
124.01659	0.6
125.02431	2.4
134.03723	0.8
136.01668	1.9
137.02441	25.8
138.03279	2.4
139.04002	1.0
147.00876	1.0
148.01717	0.9
149.02428	3.1
150.03188	1.9
151.00359	5.8
151.04036	3.1
152.01080	0.6
153.01938	2.1
153.05556	3.1
161.02461	1.2
162.03151	0.7
163.04039	1.6
164.01176	2.4
164.04768	1.5
165.01927	100.0
165.05582	1.7
166.02708	16.6
167.03369	1.6
168.04268	3.4
168.29907	0.4
173.02397	0.5
175.00366	0.7
175.04056	1.2
176.01102	2.9
177.01891	3.0
177.05621	1.2
178.02696	1.5
179.03494	18.0
179.07120	1.7
180.04283	54.0
181.05061	34.9
182.05437	1.5
184.03658	0.8
190.06259	0.6
191.03506	2.0
192.04301	4.7
193.01485	1.3
193.05054	1.7
194.05844	5.3
195.02989	2.5
195.06619	61.1
196.06990	3.7
205.05072	2.2
207.06662	4.3
208.03641	2.5
209.04446	0.7
209.08191	6.4
210.05341	9.8
210.08531	0.7
211.05843	1.4
220.07420	1.0
221.08119	0.6
223.06102	7.1
224.06499	0.9
225.07680	47.8
226.08083	3.6
285.04065	0.7
326.71048	0.5
329.92374	0.6
373.13159	0.8
387.10657	1.4
387.14658	1.4
402.13501	0.6
403.13989	7.2
404.14185	0.8
416.14743	0.9
417.15555	12.8
418.15814	1.8
433.15338	0.7
451.16205	2.0
580.19745	0.8
594.21484	1.5
595.21802	13.7
596.22192	3.8
613.23132	0.7
642.23523	0.6
643.23810	3.9
644.24713	1.1
773.28375	3.0
774.28510	1.0
821.30652	1.2
869.32062	2.7
870.32227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	12.4
67.01884	1.0
68.99821	1.7
71.01364	1.3
71.62786	0.6
83.01400	0.7
84.63963	0.5
88.98803	0.7
93.03461	0.9
95.01395	0.7
96.96064	0.6
101.02417	1.0
107.04998	0.5
108.02139	1.1
109.02959	4.8
111.00878	0.6
113.02413	0.6
121.02978	1.1
123.00881	1.5
124.01714	0.8
125.02428	1.7
133.03020	0.5
136.01671	2.0
137.02454	22.2
138.03323	3.2
139.04044	1.0
148.01608	0.7
149.02438	1.5
149.99638	0.6
150.03230	2.5
151.00359	6.1
151.04019	3.5
152.01143	1.1
153.01910	1.5
153.05594	2.8
161.02412	1.3
162.03264	0.7
163.00346	0.8
163.04012	1.5
164.01166	2.2
164.04791	1.5
165.01932	100.0
165.05568	4.2
166.02689	14.7
167.03448	1.8
168.04243	2.4
175.00362	0.7
175.03986	1.5
176.01175	1.7
177.01912	2.9
177.05542	0.9
178.02695	1.2
179.03499	18.6
179.07130	1.4
180.04279	50.7
181.05063	34.0
181.06738	0.7
182.05386	1.9
184.03725	0.6
190.02711	0.7
191.03519	2.3
192.04311	3.8
193.01424	0.9
193.05032	1.9
194.05869	4.0
195.03024	3.8
195.06622	61.9
196.06999	3.2
205.05054	2.7
207.06638	4.1
208.03789	2.6
208.07170	0.6
209.08214	6.0
210.05339	8.7
211.05998	1.5
223.06091	5.6
225.07675	46.5
226.08025	2.7
233.46365	0.6
254.30226	0.6
289.07239	0.8
323.09866	0.5
359.11728	0.7
373.13132	0.7
387.10562	1.5
387.14725	1.6
387.49509	0.5
402.13364	1.0
403.13959	6.2
404.14294	1.0
416.14905	1.1
417.15543	14.2
418.15823	2.1
433.14850	0.8
450.67175	0.8
451.16257	2.1
565.17914	0.8
594.12836	0.6
594.21259	3.1
595.21796	16.5
596.22211	2.9
613.22668	0.7
625.23334	1.2
642.22949	1.3
643.23840	4.6
644.24500	0.8
773.28131	3.9
774.27997	0.8
821.30878	1.0
869.30823	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	869.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	9.1
65.72278	0.6
67.01895	1.0
71.01384	1.3
71.63054	1.0
72.86571	0.5
72.99296	0.7
88.98833	1.0
89.14184	0.7
95.01385	1.1
108.02151	0.7
109.02970	1.7
109.28912	0.6
113.02435	0.8
117.25802	0.6
121.02971	0.6
123.00896	0.8
125.02501	1.6
136.01640	1.4
137.02448	20.9
139.03966	1.0
141.85481	0.6
145.02991	0.8
149.02481	1.7
151.00392	6.4
151.04022	1.6
152.01071	0.9
153.01895	0.8
161.02515	1.4
163.04021	1.3
164.01178	1.2
165.01939	100.0
166.02715	16.4
167.03346	1.9
175.04015	1.0
177.01909	1.1
177.05635	0.8
179.03520	15.6
179.06992	0.7
180.04291	53.4
181.05072	24.1
182.05389	1.1
193.04976	1.3
194.05829	3.4
195.02943	2.5
195.06631	70.7
196.06915	4.1
205.05051	2.2
205.12340	4.0
207.06618	1.0
209.08208	2.8
210.05368	10.7
211.05734	0.7
214.80281	0.6
220.07439	0.9
225.07695	75.5
226.08049	4.7
249.11293	4.4
250.11745	0.8
281.09149	0.7
289.07111	1.4
294.67847	0.7
387.10214	3.5
387.14713	2.8
402.13159	1.3
403.13959	7.6
404.14642	1.2
416.14661	0.8
417.15546	18.6
418.15887	2.1
451.16171	2.6
595.21796	8.9
596.22217	2.0
643.24231	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	867.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	21.3
69.98283	10.6
70.36855	1.7
71.01389	16.3
73.02943	2.3
83.01380	2.4
85.02930	5.0
87.00881	5.3
89.02461	18.0
99.00869	2.0
101.02463	13.7
113.02461	9.6
116.92781	2.1
119.03497	2.6
125.02466	10.5
127.11215	2.0
130.41435	1.8
133.05022	2.1
143.03473	2.9
161.04533	2.7
171.10280	100.0
172.10600	3.4
179.05609	4.5
195.13881	2.5
210.68474	2.1
221.06625	2.5
227.47086	1.8
235.08257	7.2
246.33815	1.9
253.09203	4.7
255.23296	64.6
256.23682	6.0
277.21689	2.5
287.07474	3.5
293.21289	6.9
295.22827	10.9
356.54227	1.9
379.12482	21.4
380.12619	2.8
397.13541	45.7
398.13843	3.7
415.14395	8.1
490.52209	2.1
545.65387	2.8
551.23334	3.4
569.24469	3.4
635.36621	4.0
653.37817	5.6
867.46057	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	868.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.48490	0.9
79.95744	0.3
80.96514	0.4
82.77848	0.3
109.12971	0.2
114.94243	0.3
128.74174	0.3
166.92418	0.3
177.28186	0.3
225.00813	0.3
260.78210	0.3
869.47388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98546	0.2
80.96519	0.1
97.06635	0.1
116.92892	0.1
154.79305	0.1
167.65109	0.1
198.27200	0.1
211.13440	0.1
212.65471	0.1
229.44473	0.1
294.21735	0.1
295.21677	0.1
332.08862	0.1
340.84311	0.1
552.35419	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.0
64.02139	0.5
69.39677	0.4
81.03469	2.3
83.01400	1.6
93.02939	0.6
93.03449	3.7
96.13744	0.5
107.01377	0.7
115.48930	0.5
119.05061	2.7
123.04538	9.8
125.02467	5.9
129.79335	0.5
135.00873	0.6
135.04596	0.7
137.02414	0.6
145.02968	0.6
149.02397	0.5
151.00366	1.8
163.00375	1.1
167.03503	27.9
168.03751	0.8
169.06352	0.5
179.03490	2.8
185.06085	0.9
187.03973	1.2
189.05580	1.2
199.03940	0.7
211.04100	0.9
213.05522	0.7
227.03502	30.1
228.03819	3.6
229.05206	4.5
230.05429	0.5
239.03539	0.7
241.04947	0.6
255.02997	46.3
256.03540	7.7
257.04617	2.7
258.03763	0.6
267.02933	0.5
273.07700	46.1
274.08069	4.5
284.03268	54.9
285.04019	56.5
286.04333	7.9
287.04550	2.1
404.94623	0.5
431.09833	100.0
432.10150	14.6
433.10468	3.3
434.10681	2.3
435.13007	5.1
436.13123	0.9
523.60150	0.5
530.88287	0.5
558.70880	0.6
805.31696	0.6
897.33417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03969	0.7
67.01890	0.9
80.34589	0.6
81.03458	2.1
83.01413	4.0
93.03454	1.5
95.01396	0.9
95.05023	1.1
97.02960	2.9
103.03761	0.6
107.05028	2.0
109.02955	10.1
120.02135	0.6
121.02951	2.9
122.03736	0.8
123.04531	6.3
124.01698	0.7
124.62443	0.5
125.02448	100.0
126.02790	2.7
133.02946	5.1
135.04546	2.1
137.02444	15.4
139.03972	1.1
143.59509	0.7
145.02956	0.7
147.04565	1.1
149.02431	4.4
150.03189	0.6
151.04008	11.3
159.04500	2.8
160.01697	0.8
161.02441	31.0
161.06076	1.9
162.03096	2.6
163.00359	3.1
163.03979	3.7
164.01140	5.3
165.01923	5.9
167.03535	1.3
174.03270	0.7
175.03995	15.1
175.07631	0.8
176.04414	1.1
177.01909	10.2
177.05542	1.3
178.02335	0.9
179.03510	1.6
183.92810	0.7
187.04008	4.3
188.04765	1.5
189.01988	1.8
189.05435	0.9
190.02628	0.9
193.05023	1.5
199.04051	3.2
201.01978	1.2
201.05573	1.8
202.06232	0.8
203.03477	2.3
203.07123	4.4
205.01361	0.8
205.05038	4.2
209.06145	0.7
211.03989	0.8
213.05595	1.2
215.03418	1.0
217.05037	7.9
219.02997	3.5
219.06537	1.3
221.08385	0.7
225.05453	0.9
227.03464	2.1
227.07162	1.3
229.04991	2.7
231.03072	1.8
241.05127	1.0
243.02977	18.4
243.06711	1.0
244.03510	1.8
245.04523	10.0
245.08156	5.9
247.06123	1.2
253.05016	1.2
255.02950	6.2
256.03784	2.1
257.04684	2.1
261.04059	5.4
267.03204	0.7
269.04614	2.8
271.06119	0.9
273.03986	1.7
281.04654	1.8
282.01633	1.4
283.02518	1.6
283.05988	0.7
285.04114	2.8
286.04517	1.4
287.05582	24.8
288.05957	2.2
289.07172	18.6
290.07520	2.8
297.07318	0.7
299.05585	4.1
329.06915	1.1
339.08685	1.8
341.06793	1.2
381.09882	1.1
389.21722	1.1
395.07706	1.3
405.06152	4.9
407.07690	19.6
408.08099	2.4
411.06754	1.2
412.07608	1.4
413.08762	8.0
414.08789	1.1
423.07199	3.9
425.08817	10.1
426.09293	1.7
435.07874	0.8
449.08774	5.6
450.08987	1.2
451.10406	7.1
467.09464	0.7
468.61682	0.8
517.12158	0.8
525.08557	2.2
533.11060	1.2
543.09204	4.4
559.12817	1.6
561.10242	1.8
562.11249	0.8
569.10712	1.3
575.11896	4.2
576.12598	0.9
577.13348	7.3
578.14429	1.2
587.12164	2.9
693.65875	0.8
695.14026	5.1
713.15002	3.3
739.16779	1.8
865.19922	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	863.345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.5
68.99567	0.5
69.03468	0.8
71.01382	2.7
71.05022	0.2
71.62910	0.2
72.99315	0.2
73.02944	0.6
77.09607	0.1
81.03473	0.3
83.01379	0.3
83.05045	0.7
84.02161	0.1
85.02954	3.4
89.02444	3.4
91.90848	0.1
92.41468	0.1
93.03455	0.2
95.01359	0.2
95.05014	0.5
97.02924	0.7
97.06588	3.3
99.00877	0.9
101.02441	1.3
107.05027	0.2
109.02959	0.2
109.06590	0.2
110.03750	0.2
111.04520	0.2
111.08174	0.1
113.02476	0.3
116.92824	0.2
117.03458	0.2
121.03004	0.1
121.04608	0.9
121.06587	0.2
123.00966	0.2
123.08166	0.4
125.02448	2.5
125.09716	1.1
127.11288	1.1
131.03476	0.5
135.04503	0.5
137.02426	0.2
137.04086	0.2
137.09727	0.5
141.05254	0.9
141.88863	0.1
143.03470	0.2
145.03004	0.2
149.04559	2.4
150.03220	0.2
152.28923	0.1
153.05544	0.2
155.10759	0.6
155.14421	0.4
161.02495	0.2
161.04369	0.1
163.11237	0.2
165.03532	0.3
165.12843	0.9
167.10802	0.3
167.14326	0.7
171.10271	7.7
172.10608	0.5
175.04007	0.2
175.11217	0.2
177.12837	0.9
183.13904	2.6
184.14252	0.3
185.04262	0.2
185.11807	0.8
190.02554	0.1
191.05582	0.2
193.12343	0.9
197.11838	0.6
199.13412	0.3
201.11209	0.1
201.15067	0.1
203.10799	0.5
205.04829	2.6
209.11848	1.3
211.13388	16.8
212.13722	1.0
215.02783	0.1
221.06635	0.3
221.11830	2.8
222.12119	0.2
227.12794	0.3
229.14433	12.1
230.14696	0.8
239.12894	2.1
240.13448	0.2
241.02504	3.4
242.02740	0.2
247.20657	0.4
248.67029	0.1
273.18652	0.3
275.07776	0.5
277.06842	0.2
283.03561	0.2
291.19650	2.9
292.20111	0.3
293.08786	0.9
309.20755	0.7
313.04837	0.1
327.21750	100.0
328.22092	10.5
342.13394	0.2
373.06644	0.3
375.27448	0.2
535.12122	0.3
577.97028	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	865.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01870	0.9
69.97192	3.8
81.03463	1.9
83.01380	4.0
90.80145	0.9
93.03455	1.2
95.05027	1.4
97.02953	1.7
101.02432	0.9
101.08666	0.9
105.03415	1.1
107.05022	1.6
108.02174	1.2
109.02965	12.2
117.03411	0.9
121.02971	2.4
123.04519	9.6
125.02448	100.0
126.02782	4.4
128.20374	0.9
131.05017	1.8
133.02972	5.7
135.04530	2.7
137.02435	14.9
139.03983	1.8
145.02936	1.0
149.02400	4.3
151.04010	11.1
159.04472	3.0
160.05380	0.8
161.02446	35.4
161.05991	1.1
162.02895	3.0
163.00365	2.8
163.04005	4.6
164.01158	5.3
165.01929	6.4
167.03502	1.7
173.02377	0.9
173.06061	2.2
175.03998	13.6
177.01926	10.0
179.03442	2.8
187.04034	4.8
188.04716	1.4
189.01865	1.7
189.05565	1.0
190.02660	1.0
193.05075	1.1
199.03989	3.8
201.01895	1.8
201.05460	1.9
202.06129	1.0
203.03499	2.4
203.07173	4.2
205.01501	1.7
205.04999	4.6
211.04103	1.4
213.05595	1.2
214.02737	1.2
215.03458	1.9
217.05110	7.2
219.03001	2.7
219.06618	0.9
225.05592	1.8
227.03604	1.4
227.07034	1.0
229.05104	1.9
231.02847	1.5
241.04994	1.2
242.02260	1.1
243.02975	15.0
243.06702	1.9
244.03433	2.6
245.04530	11.6
245.08167	5.1
246.04985	1.3
255.03027	5.3
256.03632	3.0
257.04440	1.2
258.04999	1.0
261.04065	6.2
269.04462	3.5
273.03928	1.6
281.04425	3.2
285.04004	3.0
287.05606	26.6
288.05984	3.1
289.07162	22.5
290.07458	3.7
297.04294	1.0
299.05643	2.9
331.08200	1.2
338.04459	1.1
339.08685	1.6
341.06696	1.4
381.09622	1.1
395.07751	1.0
405.06097	3.9
406.06305	1.1
407.07672	19.9
408.08060	3.3
411.07065	1.8
412.07434	2.2
413.08633	8.4
423.07196	4.6
425.08835	10.9
426.09155	2.1
449.08887	5.8
450.08826	1.2
451.10287	6.5
452.10626	1.6
458.25082	1.0
525.08154	1.6
543.09155	3.8
559.12335	1.1
561.10040	2.3
569.11218	1.0
575.11829	5.9
576.11932	1.5
577.13599	10.2
578.13623	3.2
587.11554	3.1
695.14349	5.1
713.14886	3.9
739.16974	1.8
828.53217	1.1
865.19702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10426	1.4
65.00323	1.7
69.03449	2.9
69.56722	5.1
69.57143	5.2
78.55692	1.3
81.03462	4.0
83.01398	13.9
87.60929	1.4
87.77924	1.3
93.03468	5.1
95.05035	5.1
97.02965	7.2
105.03450	1.8
108.02145	2.2
108.69777	1.6
109.02959	35.6
117.03413	1.9
121.02962	11.3
122.03775	1.7
123.04536	22.4
125.02454	90.5
126.02770	1.5
128.62595	1.4
133.02942	6.5
135.00871	1.8
135.04517	5.3
137.02451	48.7
139.03976	4.2
143.05028	2.4
146.03735	3.4
147.00827	2.9
147.04520	3.7
148.01709	2.2
149.02449	32.8
151.04012	16.4
155.04987	1.8
159.04495	5.6
160.01677	2.5
161.02457	49.9
161.06097	6.2
162.03142	3.2
163.00368	21.3
163.04034	5.6
164.01126	8.5
165.01976	8.1
167.03528	1.8
171.04486	3.0
173.02568	1.9
173.06117	2.7
174.03233	3.1
175.04004	22.4
175.07631	2.4
176.01123	5.1
177.01930	12.3
177.05542	2.7
178.02655	1.9
179.03506	6.9
185.06027	2.7
187.04007	10.3
188.04716	5.8
189.01903	1.8
189.05540	4.9
191.03485	2.4
199.03989	6.6
201.02049	6.9
201.05486	1.8
202.02684	1.8
202.06274	3.6
203.03511	3.0
203.07137	14.3
205.01370	3.7
205.05057	13.1
211.04027	3.0
213.05588	5.4
214.02614	2.3
215.03462	6.9
217.01471	1.8
217.05054	9.7
221.08035	1.9
225.05650	1.9
227.03441	2.8
227.07190	1.9
229.05049	5.3
230.05696	2.0
231.02910	2.7
240.04199	3.4
241.05142	7.4
242.02145	2.1
243.02995	15.4
244.03523	1.7
245.04489	6.1
245.08229	18.0
247.06091	2.6
253.04964	2.2
254.38708	1.4
255.03029	11.9
256.03741	3.9
257.04636	7.6
257.08264	1.8
267.03006	3.6
269.04544	4.5
272.03210	2.2
273.04028	3.5
279.06845	1.9
281.04541	3.4
283.02368	4.1
283.06143	2.5
285.04065	55.9
286.04495	4.3
287.05527	10.6
288.02612	2.4
289.07199	74.4
290.07660	6.9
293.04434	2.0
299.05649	21.6
307.06073	7.9
309.03827	1.9
329.06821	1.5
339.08691	1.8
347.05475	1.8
375.05121	2.5
405.06082	1.8
407.07635	13.3
411.07217	100.0
412.07574	11.0
425.08594	2.4
447.07001	3.8
451.10550	23.8
452.10733	2.7
531.09381	3.8
541.07507	3.0
555.44147	1.8
559.08679	13.1
560.09406	2.8
573.10449	15.7
585.10693	1.9
656.77216	1.6
693.12665	12.2
694.13239	2.9
711.13477	13.7
712.13531	2.8
863.17712	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	857.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	9.0
63.03872	0.5
63.21237	0.5
68.99816	0.5
69.16693	0.6
69.67651	1.1
69.68063	2.4
77.83758	0.5
78.98141	0.6
81.03480	1.0
83.01386	2.8
91.05571	0.9
93.03467	4.9
95.05034	2.8
97.02948	1.7
105.03468	2.0
107.05023	0.6
108.02177	11.4
109.02958	31.8
110.03297	1.2
117.03481	3.8
119.05035	2.2
121.02968	7.8
122.03806	2.5
123.00913	0.9
123.04525	26.9
124.01619	0.8
124.04884	1.0
125.02451	5.1
133.02951	10.2
135.04541	5.7
137.02499	4.5
139.04027	4.2
145.02994	3.1
146.03722	1.8
147.04564	1.4
148.01657	2.0
148.05330	1.6
149.02451	27.7
149.06102	2.0
150.03142	2.3
151.04013	14.3
152.04402	0.7
154.02783	0.5
158.03738	0.5
159.04515	2.5
160.01617	0.6
160.05296	1.1
161.02448	100.0
161.05995	2.9
162.02983	7.1
163.04010	66.9
163.07654	1.5
164.01143	0.8
164.04362	3.6
165.01884	3.4
165.05632	1.1
166.02687	0.9
171.04478	0.6
172.05232	0.6
173.02486	1.4
173.06137	0.8
174.03171	2.5
175.03996	10.9
175.07565	0.6
176.04492	0.7
177.01952	0.8
177.05580	2.3
179.03462	3.5
180.04309	1.1
181.05069	1.0
185.05998	0.7
186.06783	0.5
187.04047	2.5
187.07530	1.1
188.01196	3.3
188.04828	1.2
189.01956	10.6
189.05574	0.8
190.02504	1.1
191.03467	2.4
195.06654	0.7
197.06189	0.5
200.04553	0.6
201.01974	3.0
201.05611	1.3
202.02725	9.3
202.06311	0.6
203.03502	12.0
203.07147	1.6
204.03879	0.7
205.05025	4.3
207.03079	0.6
211.03935	0.9
212.04883	0.7
213.05441	0.9
214.06279	1.0
215.03561	1.1
216.04330	1.6
219.02937	3.6
221.04530	0.6
225.05519	0.7
226.06306	0.8
227.07094	0.9
229.05074	1.0
229.08664	1.1
231.02986	0.7
231.06664	1.2
233.04561	0.8
239.07182	0.6
241.05145	0.7
243.06807	0.7
245.08221	0.7
247.06078	1.4
257.04758	0.6
257.08191	0.6
267.06561	0.7
269.04477	0.6
270.05341	2.7
270.09058	0.9
271.06128	1.1
273.07803	0.7
281.04459	0.7
282.05099	0.9
283.06189	1.4
285.07727	3.6
286.08292	0.8
287.09241	2.3
289.07181	2.9
297.07693	1.0
298.08105	0.9
299.09177	0.6
303.08813	2.2
307.06265	1.3
310.04691	0.8
311.05783	0.8
313.07196	24.6
314.07544	2.8
315.08871	1.6
324.06479	0.7
325.07162	37.8
326.07599	4.8
327.08606	4.8
329.10263	1.8
339.08749	5.4
341.10269	1.5
343.08273	8.3
344.08786	1.0
344.12637	2.0
346.11960	0.6
356.12616	0.6
357.09787	7.4
358.09927	0.7
359.15085	2.2
371.14874	1.1
437.12442	10.8
438.12775	1.4
449.12415	13.7
450.12860	2.3
467.13461	85.7
468.13821	12.2
468.20377	0.8
844.86438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25316	0.1
61.98829	100.0
62.99261	0.1
70.13644	0.2
70.14034	0.2
689.65796	0.1
881.68671	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	857.303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08523	0.5
61.98837	18.4
63.34745	0.6
63.43059	0.5
66.71732	0.5
69.03477	0.6
69.85410	0.5
71.01381	1.7
71.63369	0.8
77.04015	0.6
81.03484	0.7
83.01397	2.9
84.30173	0.6
85.02954	1.0
93.03454	3.7
95.05038	2.4
97.01143	0.8
97.02962	2.0
101.02460	1.3
105.03459	2.4
107.05048	0.8
108.02184	10.9
109.02964	29.8
110.03310	0.8
113.02463	0.7
117.03490	3.4
119.05060	2.9
121.02969	7.7
122.03747	1.7
123.00914	1.3
123.04537	23.2
124.04922	0.7
125.02450	4.7
132.02116	1.0
133.02965	10.0
135.04518	4.6
137.02440	4.9
138.03267	1.4
139.04036	4.2
145.02960	3.4
146.03766	0.8
147.04509	1.8
148.01685	2.4
148.05307	1.4
149.02457	25.4
149.06081	1.5
150.03130	2.2
151.04018	15.0
152.01175	0.9
159.04517	2.6
160.05316	1.0
161.02454	100.0
161.06024	3.1
162.02890	6.7
163.04019	66.5
164.01169	0.9
164.04373	3.1
165.01955	4.7
166.02693	3.6
171.04509	0.6
172.05359	1.0
173.06154	0.7
174.03194	2.5
175.04016	11.2
176.04597	1.2
177.01981	0.7
177.05585	2.2
179.03513	3.8
180.04083	1.0
181.05078	4.2
185.06058	0.8
187.04037	2.0
187.07660	0.9
188.01137	3.2
188.04881	0.6
189.01952	8.8
189.05579	1.3
190.02585	1.3
191.03513	1.6
193.04938	1.0
195.06567	1.2
201.01974	3.3
201.05653	1.0
202.02725	8.0
202.06442	0.9
203.03500	11.1
203.07205	1.9
204.03851	0.8
205.05098	5.2
207.03029	1.0
211.06154	2.3
214.06264	0.9
215.03481	0.7
215.07222	0.6
216.04271	1.3
219.03003	2.2
225.05664	1.3
227.07085	1.0
228.08000	0.6
229.08762	0.8
231.02936	1.0
240.07727	0.8
241.05132	1.6
245.04549	0.6
247.06291	0.8
253.05225	0.8
258.05383	0.7
269.04636	0.7
270.05466	2.9
270.08798	0.7
271.06070	1.5
273.07687	0.7
282.05179	1.1
283.06097	0.9
285.07690	4.0
285.10925	1.1
287.09277	2.0
289.07242	3.5
299.05798	0.8
299.09250	0.8
303.08749	2.0
307.06131	2.2
310.04938	0.7
313.07205	21.4
313.10876	1.3
314.07559	3.0
315.08762	2.7
325.07187	38.7
326.07581	5.0
327.08667	3.9
329.10303	2.1
331.08371	0.9
339.08676	4.3
341.10416	1.8
343.08218	6.7
344.08774	0.7
344.12634	2.1
351.21683	0.8
356.12775	0.9
357.09894	7.0
359.15027	2.2
371.15094	1.3
437.12350	8.5
437.17242	0.7
438.12753	1.6
449.12460	11.8
450.13000	1.8
463.42630	0.8
467.13477	73.1
468.13824	9.8
517.87500	0.7
554.13019	0.6
652.26501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.1
67.01891	3.4
69.03459	4.1
69.68675	21.7
71.01392	7.4
78.75198	3.1
81.03450	15.1
83.01389	26.6
83.89803	3.2
84.90242	3.3
87.17950	4.2
89.02470	4.1
93.03448	5.2
95.01400	4.4
95.05038	11.6
97.02950	17.5
99.04512	5.5
109.02938	16.9
111.00881	3.8
119.05010	7.4
121.02946	7.6
122.03748	4.4
123.04562	16.6
124.01719	4.0
125.02448	100.0
126.02773	5.8
137.02437	40.2
139.03963	10.5
149.02446	9.4
150.03227	4.2
151.03978	24.8
161.02435	21.8
163.00417	4.1
163.03888	4.0
164.01135	14.2
165.01932	33.5
166.02408	3.5
167.03464	40.8
168.90349	3.4
175.03976	10.1
177.01967	6.7
179.03511	13.4
181.05038	6.8
187.03850	3.5
189.05692	4.6
190.99574	3.6
193.60713	3.8
199.03896	6.7
201.05518	8.5
205.05113	5.4
206.01796	3.8
211.04019	6.5
213.05743	4.2
217.04884	6.0
225.05592	8.1
229.05043	7.1
241.05080	12.7
253.05096	5.6
255.02916	6.8
255.06656	4.6
265.05029	6.4
267.06616	6.0
269.04495	25.9
270.05215	10.1
271.06079	4.3
277.05219	3.6
281.04507	16.5
283.06131	17.9
284.06833	12.2
285.03912	14.5
287.05627	6.8
289.07288	21.4
291.06836	5.0
293.04480	8.2
295.06058	7.8
298.04794	21.9
299.05566	27.4
305.04556	14.7
307.06061	4.9
309.04025	8.1
311.05579	5.7
312.06290	7.2
316.05905	12.8
317.04456	12.3
319.06174	5.4
321.04031	7.6
321.07678	5.4
322.04602	6.0
323.05524	9.2
326.04178	8.1
327.04980	4.6
331.06378	6.5
333.04004	14.9
335.05508	9.8
337.07138	5.7
346.04697	4.8
347.05576	8.4
349.07135	4.9
357.04172	6.6
359.05618	7.1
361.07123	8.2
365.06784	3.8
399.08740	5.7
405.09857	4.8
406.10565	5.4
407.07813	7.1
424.89990	4.6
443.07669	5.2
450.09561	12.3
461.08652	8.4
499.10440	4.1
575.12390	4.7
616.11902	13.7
617.12872	30.3
618.13177	4.9
695.13947	13.3
707.13562	4.4
713.14777	45.6
714.15436	10.4
833.17010	30.7
834.17517	11.9
851.18237	55.5
852.18665	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	851.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
69.27333	38.6
70.80729	4.2
71.01395	6.4
75.26329	3.7
81.03458	23.2
83.01403	24.1
93.03456	6.0
95.05046	14.9
97.02959	22.0
99.04507	11.5
101.32413	3.7
102.99292	3.7
109.02945	13.8
113.05986	4.4
121.03002	10.1
123.00924	5.3
123.04530	16.2
125.02444	100.0
126.02805	5.5
131.05020	5.8
137.02448	43.3
137.06116	5.6
139.04013	15.1
148.80824	4.1
149.02443	6.9
150.03238	4.8
151.04031	18.1
154.14503	3.9
156.41115	3.9
159.04559	7.2
161.02435	11.6
163.00366	4.4
163.03923	6.2
164.01108	21.9
165.01909	31.2
167.03471	50.2
175.04025	9.2
179.03516	13.3
181.05026	12.2
187.03963	5.0
189.05524	8.3
201.05576	9.5
203.03511	5.0
203.07068	5.6
205.05067	9.4
207.02968	5.4
211.03993	5.6
213.05621	8.8
217.04990	6.2
227.03383	4.4
229.04984	5.8
231.06493	4.7
241.04990	12.9
245.04605	4.8
253.05093	5.3
255.06702	6.3
257.04474	8.4
265.04956	5.2
267.06564	5.9
269.04486	18.8
270.05380	8.4
271.05832	6.5
281.04507	15.0
283.06100	20.6
284.06769	15.6
285.03995	10.9
287.05536	8.9
289.07214	8.9
293.04541	8.1
295.05994	6.9
297.04025	5.5
298.04898	20.5
299.05612	36.1
301.05148	4.6
303.06464	5.9
305.04504	15.4
306.04913	4.6
307.06253	5.2
309.04095	7.3
311.05563	10.8
312.06451	5.4
316.05936	13.4
317.04391	18.3
318.05286	7.7
319.06070	10.9
321.04080	8.0
323.05444	7.5
326.04254	7.7
331.05838	7.5
333.04111	18.9
333.07501	7.0
335.05637	9.5
336.06104	4.2
341.04553	7.3
345.03976	7.2
346.04868	7.3
347.05533	11.2
350.62067	4.5
357.03851	4.5
359.05505	11.8
361.06934	6.9
365.06326	5.2
385.07132	6.2
393.09930	7.1
406.10706	6.2
443.07724	4.9
450.09506	14.0
461.08862	10.2
533.10736	6.2
541.11450	6.0
616.12213	16.0
617.12769	26.0
618.13965	5.5
695.14209	16.3
707.14044	6.1
713.15295	67.0
714.15265	20.7
833.17041	36.0
834.17365	12.9
851.18274	79.9
852.18170	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	847.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.8
69.03452	4.5
69.56824	7.8
71.01384	4.0
81.03466	2.1
83.01389	7.3
85.02947	3.2
89.02510	1.7
93.65841	1.4
95.01376	4.6
97.02966	5.4
98.19855	1.9
101.02439	2.5
101.63049	1.6
107.01389	2.0
108.02211	2.2
109.02973	1.9
113.02440	3.3
120.99693	2.4
121.03006	1.7
123.00881	14.5
123.04523	2.7
124.01677	29.3
125.02454	100.0
126.02764	3.7
137.02472	9.4
139.03925	1.8
149.02400	1.4
149.99594	55.5
151.00403	8.6
151.03922	1.9
159.36598	1.6
163.00444	1.8
167.03502	3.6
168.00652	87.6
169.01443	14.3
200.70311	1.6
227.16376	2.4
241.59296	1.5
243.02875	2.4
255.03001	3.6
268.03687	1.5
271.02463	7.1
272.02756	1.7
287.07816	1.6
289.07269	2.6
300.02798	17.6
301.03519	10.8
313.05728	8.5
318.20004	2.3
331.06784	13.6
355.06522	2.1
447.09363	28.9
448.09512	4.7
481.11899	1.6
570.46582	1.6
619.12830	1.6
808.51288	2.0
847.32483	88.9
848.32721	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	847.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18187	0.8
61.92632	0.9
61.98822	4.2
62.32714	0.8
63.96229	1.7
70.04191	3.7
71.01383	10.1
73.02942	1.6
78.98604	8.4
79.95747	23.0
80.96521	100.0
82.96098	1.8
85.02941	2.8
87.00874	3.3
94.98093	20.3
96.30202	0.9
96.95991	2.7
97.02946	1.8
101.02419	3.0
106.66517	1.0
106.98061	3.7
122.97606	5.3
125.02419	4.2
134.97600	6.4
136.99063	1.2
139.18469	1.1
143.63083	0.9
145.16849	1.0
148.99156	8.6
152.98639	6.2
164.98643	13.7
206.99608	3.1
225.00760	20.5
226.00978	1.0
255.23140	1.4
537.27631	1.3
591.25183	1.1
761.40900	1.5
847.48767	97.4
848.49121	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.6
61.98831	69.6
66.94898	3.1
71.01385	24.9
71.11069	5.1
71.11398	3.5
72.16831	2.8
78.50861	2.6
80.96516	7.4
83.05058	3.1
85.02961	7.7
87.00871	12.0
87.08194	3.4
88.98793	7.8
89.02457	16.4
95.01408	2.7
95.05005	2.9
97.02975	3.0
99.17069	3.0
101.02463	14.0
113.02454	8.4
116.29848	2.7
120.32099	2.8
125.02464	5.9
143.37933	2.9
164.98572	3.7
179.05656	6.6
181.05025	3.0
209.11839	2.9
228.90182	2.7
278.63254	2.9
290.43176	2.4
293.21121	3.0
325.25424	5.2
333.20767	3.9
343.26303	5.8
359.26044	4.1
369.24286	5.9
387.25427	14.0
397.13483	9.6
405.26471	27.0
785.39642	100.0
786.40179	29.4
845.53693	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	845.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.10592	0.1
61.98833	100.0
62.98560	0.2
71.63328	0.3
80.96528	0.2
93.83238	0.2
129.10384	0.5
160.41872	0.2
207.15083	0.5
247.58258	0.2
259.14600	0.2
273.22311	0.3
277.21872	0.2
319.22751	0.6
331.19177	0.4
331.22763	0.3
355.27588	0.2
456.72015	0.2
458.95975	0.2
517.52136	0.2
520.70605	0.2
522.80939	0.2
782.51880	4.5
783.52106	1.5
845.54822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
69.03482	1.7
71.01379	1.1
74.45775	0.8
74.99116	1.4
81.03448	3.2
83.01392	5.6
85.02953	0.9
89.02440	0.9
93.03467	5.0
95.01389	2.4
95.05030	3.8
97.02967	8.1
105.03461	1.4
107.01378	1.1
107.04999	1.0
108.02203	2.0
109.02961	25.4
110.03263	1.1
111.00927	1.0
112.51353	0.7
119.05081	4.4
121.02985	6.2
122.03767	1.9
123.01024	1.2
123.04527	13.1
124.01647	1.1
125.02454	36.2
133.02948	4.2
135.00867	1.2
135.04541	4.1
135.81029	0.9
137.02446	22.1
138.03185	0.9
139.04053	4.5
145.02980	1.5
146.03682	1.6
147.00864	1.6
147.04503	2.5
149.02457	17.3
150.03226	1.3
151.04005	9.8
159.04526	5.3
160.05351	1.1
161.02458	7.8
161.06094	4.9
162.03189	1.4
162.99133	1.5
163.00388	17.3
163.03999	2.3
163.99866	1.1
164.01166	16.9
165.01973	6.7
166.02699	1.3
167.03468	1.7
171.04539	1.2
173.05937	1.0
174.03236	1.7
175.03999	8.2
175.07626	1.8
176.01149	5.1
177.01924	11.1
178.02477	1.4
179.03506	5.0
183.04492	1.1
185.06038	2.8
187.04001	6.5
187.07632	2.5
188.04758	3.5
189.01913	2.3
189.05530	4.2
190.02782	1.2
191.03430	1.4
197.06137	1.1
199.04037	4.1
200.04849	1.1
201.01994	2.0
202.02727	1.1
202.06407	1.5
203.03442	1.7
203.07112	10.2
205.01421	9.8
205.05038	7.7
211.04112	1.2
213.02022	0.8
213.05484	2.9
214.02673	1.4
215.03488	3.7
217.05028	4.1
219.03003	1.6
221.08192	2.0
227.03474	2.8
227.07155	2.6
229.05003	3.6
230.05624	1.1
231.02957	1.7
231.06435	1.5
241.05063	3.6
243.02954	4.6
245.04614	2.2
245.08211	11.5
246.08470	1.0
247.06148	1.3
253.05247	1.1
255.02983	7.1
255.06670	1.1
256.03629	1.9
257.04510	4.1
266.05569	1.0
267.02991	1.7
268.03580	1.0
269.04474	2.9
271.02744	1.1
271.06088	4.7
272.03250	1.7
273.07675	13.2
274.07944	1.6
281.04550	1.5
282.01831	1.1
283.02533	4.9
283.06073	4.5
284.03232	2.7
285.00842	1.8
285.04053	33.1
286.04315	2.5
288.02551	1.3
289.07190	63.3
290.07596	4.4
296.03094	1.3
297.04095	2.3
301.03552	2.0
307.06119	1.8
309.03955	2.7
312.06143	0.9
324.02655	1.1
325.03448	2.8
325.09451	1.2
328.05884	4.9
329.06641	9.1
389.06778	2.4
390.48438	1.0
393.05908	1.1
407.07745	5.7
411.07193	100.0
412.07614	12.9
431.07764	6.5
435.10904	20.2
436.11273	2.5
447.64923	0.9
450.06046	4.4
451.07068	1.3
539.09875	2.9
557.10919	17.6
558.11298	2.7
559.08734	3.1
561.13922	2.0
693.12463	5.2
695.13654	3.2
696.14697	1.2
711.13641	1.7
721.16791	1.0
772.41595	1.0
847.17596	4.4
848.18732	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	841.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98835	1.8
71.31956	0.3
73.02946	0.3
99.92587	12.4
100.92583	0.9
103.88657	0.2
114.93394	0.6
116.92861	100.0
117.01956	0.5
117.03470	0.3
117.92871	5.5
119.05046	0.3
130.84143	0.2
134.80367	0.2
145.02972	0.9
158.98608	0.2
162.26370	0.2
163.04021	0.3
173.90417	0.2
179.98846	0.2
199.91095	0.2
209.66310	0.2
255.03061	0.5
284.03378	0.6
285.04001	1.6
437.12622	0.5
651.41028	0.2
656.29559	0.2
723.17371	1.0
841.51721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
71.62525	12.4
80.96515	23.4
81.58336	8.9
92.01786	8.4
116.92874	49.4
253.09265	11.3
255.23273	8.9
257.39175	9.1
295.22806	23.2
301.21674	36.5
337.95599	8.6
517.23370	9.4
843.51630	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62834	0.5
59.01379	7.1
59.01636	0.7
61.98837	18.4
61.99144	1.2
69.03477	1.5
70.03201	1.3
70.03619	1.6
71.01393	7.0
71.01699	0.6
72.99312	1.1
73.02958	1.0
79.95767	0.6
80.96536	1.4
81.03464	0.6
83.01432	1.2
83.05067	1.9
85.02956	6.9
85.03354	0.5
85.24306	0.7
87.00891	1.5
89.02454	4.9
95.01432	0.8
95.44646	0.6
97.02986	1.6
97.06627	2.7
99.00883	0.6
101.02454	5.9
106.15103	0.5
111.04527	0.6
113.02440	2.9
118.53504	0.6
119.03520	1.2
125.02437	0.7
125.09776	1.2
127.11244	0.7
135.04782	0.6
137.09717	1.9
137.42496	0.6
143.03564	1.2
161.04608	3.0
163.11385	0.6
165.12891	0.8
171.10292	17.2
177.12868	1.2
179.05600	1.1
179.14467	1.1
183.13860	3.0
193.12332	1.0
195.13902	8.5
197.11815	1.0
201.36501	0.5
205.12407	0.9
209.11850	1.8
211.13416	12.2
212.13864	1.0
221.11812	1.8
223.13406	4.3
227.12981	0.7
228.13699	0.8
229.14459	8.4
230.14780	0.8
231.21283	0.8
235.08247	5.7
239.12840	1.5
253.09294	30.0
254.09679	1.5
256.13153	1.1
265.21686	0.6
273.22180	0.6
275.20200	5.4
291.19736	5.1
293.21249	100.0
294.21533	10.3
309.20752	7.8
315.19662	1.4
319.22781	2.6
320.23032	0.9
327.21768	78.8
328.22070	7.8
397.13751	1.0
439.26849	0.7
492.21698	0.8
529.29993	1.1
545.29578	1.2
559.19098	1.5
563.30743	5.8
577.19714	0.7
603.42627	4.5
604.43158	0.7
735.18042	0.6
839.45679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.98552	0.3
71.65047	0.3
79.95736	0.3
80.96526	2.6
98.19868	0.8
152.99577	0.3
229.34795	0.3
283.80255	0.2
453.26831	0.3
838.48303	0.3
839.49615	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	839.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
61.98831	65.0
63.99270	1.4
67.01888	2.2
68.99834	1.9
69.68832	1.0
70.82952	1.1
70.83279	2.7
71.01361	2.8
72.34777	1.0
75.00879	1.0
83.01392	1.6
88.98798	2.2
93.03474	4.9
95.01378	1.5
108.02200	2.1
109.02949	6.3
113.02445	1.4
113.71803	1.1
116.92872	1.6
119.01384	1.3
121.02969	7.6
122.03765	14.7
123.00887	3.2
123.04528	2.5
124.01656	2.5
125.02462	5.2
133.02972	2.4
134.03732	2.5
136.01680	7.6
137.02443	28.4
138.03091	3.2
139.04007	1.5
145.02954	1.7
146.03725	1.7
149.02440	26.6
149.06096	1.5
150.03230	76.5
151.00404	6.4
151.04041	26.7
152.01083	2.1
152.04553	1.2
153.01936	3.8
153.05545	3.9
159.04483	1.2
161.02428	3.3
162.03142	1.8
163.03990	3.2
164.01106	1.5
164.04791	5.7
165.01941	100.0
165.05579	67.7
165.40770	1.1
166.02673	15.3
166.05872	2.9
167.03481	2.6
168.04256	3.2
175.04008	2.3
176.01091	3.2
177.01909	4.3
177.05569	2.6
179.03516	22.9
179.07155	10.5
180.04294	54.4
181.05072	31.7
182.05284	1.8
184.03775	1.3
190.06409	1.9
191.03487	2.1
191.22206	1.2
192.04323	4.6
193.01422	1.2
193.04980	4.0
194.05835	4.7
195.06635	96.0
196.06966	7.2
205.05084	3.6
207.06639	7.1
208.03738	4.1
209.08246	6.5
210.05298	8.5
219.06664	1.3
220.07335	1.6
223.06108	8.4
225.07690	41.2
226.07947	2.2
230.52913	1.1
289.07379	1.6
373.12717	2.1
387.14594	2.6
403.13736	2.2
417.15491	14.3
494.71133	1.3
535.16132	1.5
561.31659	1.2
565.20831	14.4
566.21643	2.5
595.21765	15.8
596.22412	2.3
613.22839	4.5
614.22852	1.5
643.23859	4.1
743.26636	8.8
744.27380	2.0
773.27838	1.9
791.29376	2.4
839.30347	6.1
840.30927	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	837.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83924	0.4
59.01381	0.9
61.98833	2.8
63.96251	2.2
67.20500	0.4
69.03462	0.8
70.29978	1.8
71.01387	10.1
72.87462	0.5
73.02955	2.1
78.84509	0.5
78.98594	8.1
79.95740	17.7
80.96518	100.0
81.03481	1.0
85.02959	3.8
87.00872	4.4
94.98087	23.0
96.96016	1.6
97.02951	2.0
99.00862	0.5
101.02439	3.1
106.98092	3.3
122.97595	4.6
125.02424	3.5
127.03991	1.1
134.97581	5.4
136.99129	2.5
143.55528	0.4
148.99142	7.3
152.98640	7.1
164.98636	14.4
206.99699	3.2
219.42827	0.5
225.00731	17.5
226.01228	0.5
277.21744	1.6
283.05023	0.6
295.89539	0.5
442.05353	0.4
447.45056	0.5
559.25903	2.9
615.01642	0.5
679.03778	0.6
753.83954	0.5
829.15717	0.5
837.48242	81.7
838.48602	26.1
846.69214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.9
61.98829	24.9
69.03471	2.1
71.01382	8.7
73.02942	2.0
75.70026	1.5
78.19945	1.2
78.95880	2.1
81.03465	2.4
82.03570	1.3
83.01388	2.9
83.05013	3.1
84.20335	1.5
85.02953	3.0
87.00871	3.3
89.02433	7.0
95.05017	1.4
96.96013	7.1
97.02940	1.9
97.06604	2.9
99.92561	1.5
101.02440	7.6
111.08142	5.1
113.02438	3.9
115.92054	1.5
116.92840	4.2
123.04512	3.6
125.09731	6.3
137.09674	3.0
152.38933	1.4
161.04561	4.0
163.11237	2.9
165.12862	1.9
167.10730	3.1
170.17429	1.3
170.90431	1.4
171.10220	3.0
177.12744	1.5
185.11757	6.7
191.14366	5.5
195.13919	9.4
197.11865	13.5
201.11331	8.7
207.10284	2.3
209.11809	14.5
211.13394	3.6
223.13304	6.6
225.11205	2.1
227.12810	3.0
234.36659	1.4
235.08156	3.9
245.19144	9.5
253.09235	19.5
255.23300	2.5
256.13272	2.3
263.20087	3.0
264.20410	1.6
268.77112	1.7
275.20117	8.4
277.21695	2.6
289.18094	40.2
290.18506	4.2
291.19632	33.4
292.19882	3.7
293.21222	100.0
294.21469	11.9
307.19144	27.2
308.19580	4.9
309.20663	12.5
331.89911	1.4
360.84384	1.5
376.41818	1.3
397.13403	3.0
462.16501	1.4
487.42584	1.6
655.11816	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	837.411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	3.4
59.01382	55.1
60.01707	1.1
61.98832	100.0
65.25512	1.2
68.99785	1.1
69.03451	2.1
71.00989	2.5
71.01384	51.5
72.99309	5.3
73.02949	11.0
75.00874	1.3
79.95747	2.0
80.96520	3.4
81.03490	2.3
83.01405	8.1
85.02962	13.8
87.00877	14.8
89.02451	42.2
95.01369	3.3
97.02955	6.2
98.20641	2.7
99.00860	1.8
99.75826	1.2
101.02444	47.7
102.02745	1.8
104.14005	1.1
111.04566	1.6
113.02468	27.9
116.30296	1.2
119.03499	10.5
125.02458	16.6
131.03493	6.2
143.03549	6.5
161.04546	15.7
179.05637	11.9
203.05600	1.5
221.06596	5.6
235.08192	5.3
253.09233	9.6
263.07751	2.4
277.21753	28.4
278.22107	2.8
305.08798	1.9
317.21179	19.4
318.21552	3.8
323.09845	3.9
383.11893	2.2
397.13495	47.8
398.13715	4.3
415.09537	1.7
415.14584	18.0
416.15155	1.6
439.14917	1.6
485.14984	2.6
519.33624	1.5
537.66315	1.4
559.18768	89.6
560.19080	10.0
577.19849	32.3
578.20135	4.8
747.35596	1.4
837.41339	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	831.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.5
61.98811	1.0
70.66820	1.0
70.67163	2.1
71.01380	2.9
78.95905	73.2
79.95729	4.7
80.96516	21.8
94.98087	3.4
96.96964	15.8
96.97591	1.5
116.85480	0.8
122.97575	5.5
124.97154	2.0
134.97609	1.9
142.31589	0.9
148.99121	1.1
152.98547	1.1
152.99611	16.5
164.98622	2.2
169.42607	0.8
199.20183	0.7
223.00171	8.7
225.00659	1.7
232.97662	1.0
240.98711	1.5
241.01186	31.0
242.01511	1.4
255.23285	53.0
256.23526	4.3
259.02216	2.0
270.69891	0.8
277.21710	30.7
278.22025	3.5
297.03738	1.5
307.12256	0.8
315.04727	0.9
391.22443	7.0
413.21088	1.7
553.27594	4.7
571.28638	1.0
675.18890	0.8
704.92346	0.9
813.48645	1.2
831.50208	100.0
832.50568	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98547	0.2
70.37420	0.2
72.52952	0.1
80.96529	0.4
94.11115	0.1
97.54494	0.1
124.07098	0.1
127.26894	0.1
146.11876	0.1
166.15869	0.1
181.66597	0.1
183.31308	0.1
224.25684	0.1
261.49759	0.1
305.50134	0.1
381.52426	0.1
709.59741	0.1
837.48926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
61.98828	18.4
65.00311	3.2
71.01382	1.1
71.40452	1.7
88.98814	6.7
90.99717	0.9
101.02422	1.2
108.02162	1.3
109.02950	8.6
113.02448	0.8
121.02969	10.3
124.01623	1.0
133.02968	1.5
134.03731	1.0
137.02405	1.3
148.01628	2.9
149.02458	1.3
150.03264	1.0
151.03975	1.1
155.76018	0.8
160.01596	1.2
161.02448	1.8
162.20668	0.9
164.01228	1.0
165.01823	1.9
175.00333	1.9
175.03929	1.5
177.02000	1.3
189.01984	1.0
190.02681	1.2
193.05093	1.3
209.09816	5.5
209.11613	1.8
210.10098	1.1
211.03860	1.1
215.03651	1.6
227.03400	1.5
231.11757	2.1
233.09711	4.5
242.02228	1.8
243.03038	2.6
249.12944	1.0
251.10617	1.5
254.09576	1.0
255.02969	1.6
270.01868	1.0
271.02475	9.0
272.02673	1.4
273.89041	1.0
275.10803	2.2
283.02313	1.5
285.04214	1.1
297.03778	1.0
299.02023	1.1
300.02731	1.1
301.03329	1.1
301.07346	0.8
303.10379	1.1
305.08167	2.1
306.08511	1.3
317.07874	1.1
319.09720	10.5
319.13181	1.6
320.10257	1.9
325.03406	1.7
331.09665	2.4
335.12769	4.0
347.09036	2.3
364.09399	1.8
379.11954	3.7
397.14410	1.4
409.10934	1.1
411.53256	1.0
413.13956	1.5
423.12231	1.6
440.71588	1.2
441.13498	3.2
454.10483	2.0
468.11804	2.0
469.12949	20.0
470.13779	5.7
471.25940	1.0
483.14200	1.4
484.15247	8.4
485.15649	3.2
496.89221	1.2
498.09418	2.5
499.14346	1.6
513.11987	8.2
514.12103	2.3
528.06348	2.0
528.14240	31.0
529.14905	17.2
530.14996	2.6
764.95099	1.0
793.27905	4.2
794.27399	1.5
837.26086	100.0
838.26410	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	825.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.10754	22.2
71.12061	49.6
85.35462	22.3
103.74713	21.0
133.11618	21.7
352.89612	23.9
571.11523	23.1
578.83258	26.4
724.59979	24.5
824.93042	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	827.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.98843	35.8
69.03450	1.5
69.43982	10.9
71.01386	2.0
73.02946	1.6
81.03455	3.4
81.73537	1.3
82.36856	1.1
83.01408	7.4
88.98840	2.0
93.03445	2.1
94.34797	1.3
95.05035	3.6
97.02958	3.6
99.04535	3.2
101.02431	2.3
107.05040	1.6
108.02184	1.3
109.02969	4.3
109.73772	1.2
111.00916	1.6
116.92886	2.5
121.02938	2.9
121.06573	2.1
122.03779	1.6
123.00860	1.3
123.04482	2.9
124.01628	2.3
125.02460	32.4
126.02792	1.6
135.04564	5.1
137.02467	33.2
138.02832	1.3
139.04025	2.7
149.02467	4.1
149.99532	2.3
150.03206	4.9
151.04066	6.0
154.37053	1.2
161.02441	3.6
163.03934	2.3
164.01151	4.2
165.01959	11.0
165.03156	1.8
165.05643	3.2
166.02541	1.7
167.03508	17.1
168.00653	2.6
168.09615	1.3
173.06139	1.8
175.03947	1.7
176.70767	1.2
177.01877	1.8
179.03456	3.3
181.05115	7.8
185.06038	2.6
187.03999	1.9
188.04594	2.1
189.05582	2.4
190.41351	1.4
195.06557	2.5
198.03238	2.4
201.05536	5.4
203.07021	1.7
211.03958	2.4
212.04747	1.3
213.05515	8.3
214.02489	1.5
215.03578	4.9
216.04250	2.3
217.05084	4.0
225.05600	3.2
227.03563	1.6
229.05038	9.7
231.06615	1.8
239.03487	1.6
241.05081	41.6
242.02191	2.6
242.05423	4.0
243.02979	4.7
245.04468	1.7
248.28923	1.4
251.03563	1.5
253.05046	3.9
257.04584	15.9
259.06070	1.6
263.12961	11.6
264.13245	2.8
265.04993	2.5
267.06494	1.4
269.04550	12.9
271.06012	1.1
277.05292	1.5
277.10785	2.6
279.06577	1.8
281.04514	4.8
285.04056	1.7
286.04483	1.6
287.05725	1.8
293.04575	2.3
321.07611	2.0
333.07745	1.6
335.09372	1.4
349.07285	1.9
351.08463	1.6
361.07233	1.9
363.08835	3.2
377.06436	1.6
379.08112	3.2
389.06580	3.6
395.07458	2.9
397.09296	2.9
407.07608	7.0
425.08865	13.0
545.11053	6.8
563.11987	100.0
564.12286	22.8
648.28906	1.4
827.27472	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	825.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	3.7
59.01383	46.3
61.22406	0.5
71.01384	44.1
72.01713	0.8
72.99300	4.4
73.02949	5.9
83.01389	3.8
85.01001	0.5
85.02953	14.3
87.00874	2.6
89.02448	31.5
90.02786	0.9
95.01384	3.5
97.02915	0.8
99.00874	2.4
101.02444	31.4
101.06085	0.7
102.02783	0.8
113.02444	18.3
119.03501	12.9
123.04459	0.6
125.02439	2.2
131.03514	2.0
137.02455	1.1
141.09215	1.6
143.03500	3.7
149.04533	0.9
152.01111	1.7
156.71931	0.6
159.03003	1.7
161.02521	0.9
161.04570	14.5
167.03484	3.8
167.04683	0.7
176.01218	0.7
177.01907	0.9
179.05566	8.4
181.05087	1.5
181.12239	0.8
191.03516	1.7
205.03493	0.6
221.08408	0.8
235.73755	0.6
238.04822	0.8
239.09351	0.9
243.15901	3.4
257.10303	14.8
258.10657	0.9
299.55478	0.6
405.21399	7.9
406.21667	1.0
419.15573	100.0
420.15912	10.9
537.40344	0.6
565.73138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95902	0.8
58.00585	1.0
59.01382	8.7
61.98837	27.6
62.88741	0.9
65.70409	0.9
67.01894	1.5
69.03492	1.0
69.55019	6.6
71.01378	10.7
72.99314	7.5
73.02951	1.2
83.01391	2.2
83.05051	1.1
85.02930	1.4
88.98851	1.4
89.02452	8.8
93.03455	5.2
95.01394	1.5
96.10313	1.2
96.95995	1.3
97.02942	4.6
101.02438	4.4
107.05028	2.7
108.02151	1.1
108.05829	1.5
109.02931	4.6
109.06580	0.9
111.00905	1.2
111.04516	3.1
111.08144	1.3
113.02457	3.9
113.06100	2.7
116.65720	0.9
119.03513	2.3
119.05033	1.3
121.02959	7.4
121.06642	2.4
122.03755	19.5
122.83653	0.9
123.00906	3.5
123.04534	3.7
123.08190	2.7
124.01674	2.2
125.02468	5.5
125.06102	4.4
133.02997	2.1
135.04550	3.5
136.01665	3.4
136.05304	3.8
136.98831	1.4
137.02441	4.6
137.06056	2.1
138.03207	2.2
138.06876	6.1
139.00403	5.5
139.04008	1.3
139.07674	10.1
145.02936	1.6
147.04503	3.2
148.05293	3.1
149.02443	23.8
149.06114	1.9
150.03230	96.7
151.00377	13.5
151.03957	6.8
151.07646	22.5
152.04677	2.6
152.08455	12.7
153.01930	3.2
153.05524	1.9
153.09196	3.7
159.04498	1.3
159.11766	1.4
161.02464	2.6
161.09657	1.2
162.03163	1.8
163.03961	2.2
163.07640	4.0
164.04823	4.1
165.01918	3.7
165.05573	78.2
166.01308	1.3
166.02711	25.9
166.05920	3.2
167.03242	1.3
167.07115	1.6
174.03157	1.0
175.04004	3.8
176.04861	1.1
177.01953	2.1
177.05585	3.0
179.03487	1.9
179.07063	1.2
180.04288	8.4
181.03455	1.4
181.05069	28.7
182.05423	1.8
189.05618	1.2
190.02606	1.1
191.03477	6.6
191.07066	1.4
192.04298	1.6
193.05023	3.0
195.06631	35.9
196.06985	2.0
201.12868	8.6
203.03493	9.3
203.06982	1.5
203.10814	5.5
204.04158	2.2
204.11568	13.2
205.05096	1.9
205.12325	1.3
207.06618	1.5
217.05043	1.4
218.05858	8.1
219.06667	2.2
219.13879	21.4
221.04530	4.0
225.07758	1.5
233.08220	5.8
235.02452	1.0
235.06110	3.9
236.06960	9.5
239.03627	1.1
251.09238	20.0
252.09505	1.4
259.99936	1.0
263.12885	26.0
264.13150	1.7
279.12402	12.7
280.12836	1.5
289.07272	2.7
294.96268	1.2
339.08813	1.1
358.10458	3.7
359.11581	1.0
373.13062	8.3
385.12936	1.6
399.14587	1.4
403.14157	1.5
417.12091	1.8
418.12735	2.0
431.13409	3.5
432.14178	4.3
433.15045	10.2
447.16455	1.5
561.29187	42.7
562.29639	7.1
581.20410	7.2
582.20374	1.4
611.21552	2.2
614.19495	1.4
629.22382	100.0
630.22626	22.1
825.28394	1.2
840.55786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01384	5.5
61.98832	100.0
62.98543	0.5
63.56187	0.5
63.99261	0.8
68.46857	0.4
69.03450	0.6
71.01378	4.3
71.63562	0.7
73.02952	0.9
75.06789	0.4
78.95896	0.5
80.91682	0.6
80.96512	1.2
85.02960	1.0
87.00893	0.7
89.02435	2.4
95.01393	0.5
96.95940	0.6
97.02965	0.7
97.06573	0.7
101.02457	3.7
103.75841	0.4
105.34577	0.4
111.08150	6.4
113.02444	1.3
116.92847	0.8
119.03511	1.0
137.09714	0.6
141.86606	0.4
153.12837	0.5
161.04523	1.6
169.12332	1.8
171.10287	1.2
179.05614	0.7
183.13950	0.6
192.76205	0.5
195.13907	5.1
196.14400	0.7
197.11823	24.2
198.12126	1.4
199.13380	1.3
205.12450	0.5
211.13406	4.9
223.13406	4.3
227.12973	1.1
235.08180	1.5
239.12996	0.6
247.20671	0.6
253.06618	0.9
253.09273	17.8
254.09581	1.4
256.13156	0.6
263.20096	1.5
265.17892	0.7
273.18768	0.5
275.20120	4.5
276.20438	0.5
291.19675	12.1
292.19962	1.2
293.21225	67.0
294.21536	7.8
309.20718	40.0
310.21039	3.9
326.70883	0.5
433.20688	0.6
529.30029	0.7
541.65271	0.6
545.29779	1.4
569.14575	0.6
585.41907	1.2
586.41565	0.6
592.27832	0.5
821.39532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01373	9.7
60.06493	0.9
61.98835	24.9
62.97598	0.9
67.92649	1.2
71.01375	7.3
71.64228	1.1
73.02954	1.0
79.61040	0.9
80.96517	2.6
83.05040	1.0
85.02958	3.1
87.00883	2.5
87.25130	1.0
87.57738	0.9
89.02444	7.0
89.89266	0.9
95.05047	1.6
101.02461	6.2
111.08167	9.2
113.02454	3.1
116.92863	1.3
119.03527	2.4
125.02435	1.1
161.04514	2.1
167.10817	1.6
177.12834	1.3
179.10788	1.9
179.14459	1.1
185.11830	5.5
186.52771	1.1
195.13907	12.7
205.12297	1.3
209.11893	1.8
222.09108	1.2
223.13409	6.4
225.14948	1.1
228.13882	1.2
235.08185	3.4
247.20662	1.8
253.09320	20.1
254.09702	1.8
255.23300	3.2
256.13263	1.8
273.18616	1.6
275.20169	7.9
277.21722	4.5
281.11090	1.0
282.32990	1.1
291.19666	100.0
292.19968	11.3
293.21237	93.1
293.23761	1.4
293.24744	1.6
294.21594	8.2
295.22675	3.7
307.19205	1.7
309.20743	5.5
397.13516	1.1
405.42258	1.2
527.28766	1.8
543.28357	1.1
821.52985	1.3
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
57.03438	1.7
58.00543	0.5
59.01379	7.5
61.98833	23.8
65.56865	0.4
69.03439	1.0
71.01384	6.1
71.05013	1.1
71.64350	0.5
73.02927	0.9
75.20596	0.5
78.95885	0.8
80.96497	1.8
81.03416	0.5
83.01356	0.7
83.05035	0.5
85.02941	1.5
85.06610	0.6
87.00866	0.9
89.02438	3.7
95.01399	0.5
97.02943	1.7
97.06601	0.8
97.68458	0.4
101.02431	4.5
109.06590	1.3
111.08168	2.6
113.02437	2.4
116.92851	0.8
119.03500	0.9
125.09680	0.5
127.07635	0.6
131.03499	0.6
137.09726	0.9
153.12822	0.6
161.04550	2.3
163.26027	0.5
165.12729	0.5
167.10794	0.7
169.12366	1.1
171.10333	2.4
177.12857	0.6
179.05556	0.8
179.14404	1.8
181.12219	0.7
183.13896	0.6
195.13908	12.7
195.15706	0.6
196.14342	1.3
197.11829	10.5
198.12177	0.9
199.13420	0.7
205.12320	1.3
205.15916	0.5
209.11867	0.7
211.13365	2.6
221.15503	3.2
223.13391	7.4
224.13928	0.6
227.12852	0.9
228.13507	0.8
233.15466	0.6
235.08266	2.6
239.16501	1.4
247.20720	0.7
253.09288	30.8
254.09602	1.8
256.13168	1.3
263.20166	1.0
273.18582	2.0
275.20187	6.3
276.20383	0.7
279.23160	0.7
291.19672	20.9
292.20001	1.9
293.21228	100.0
294.21576	10.8
297.24155	0.5
309.20715	70.3
310.21042	8.2
319.22699	0.8
372.21484	0.5
492.22006	0.6
529.30481	1.0
545.29767	2.0
585.41534	2.4
586.41693	0.9
592.68372	0.5
667.61383	0.5
821.53101	0.6
843.82336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.2
66.23653	0.3
70.89938	0.2
78.95902	4.4
79.95739	4.0
80.96512	0.3
94.98073	0.6
96.96012	100.0
96.96893	3.8
97.95966	0.4
107.01363	0.3
117.03461	1.2
119.05017	1.0
135.77679	0.3
145.02945	3.6
159.04527	0.4
163.03975	1.1
168.74312	0.2
174.63689	0.3
187.03860	0.3
227.03448	0.6
229.04968	0.4
255.02940	1.4
283.02515	0.3
284.03259	1.4
285.04050	4.7
345.46637	0.3
437.12143	1.2
577.13611	0.4
723.17139	3.3
724.18121	0.7
821.39453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01378	2.9
61.98836	21.0
67.01892	1.2
69.03465	2.2
70.82939	1.8
70.83304	1.8
71.01385	2.7
71.05023	2.6
81.03460	2.4
83.01393	7.5
88.98793	1.3
89.02424	1.0
93.03455	5.6
95.01372	3.2
95.05042	1.6
97.02961	6.6
101.02461	2.6
105.03468	2.8
107.05034	2.1
108.02221	4.4
109.02958	49.4
110.03315	1.5
116.92812	1.7
121.02959	8.7
122.03778	5.8
123.00896	1.4
123.04523	28.1
124.01710	1.6
124.04865	2.2
125.02448	9.3
133.02957	2.8
135.04517	4.6
137.02452	40.2
137.03499	2.1
139.04022	21.2
140.04268	1.0
144.06628	1.7
145.02951	0.9
146.03738	1.5
147.04518	6.7
149.02443	42.7
150.03104	3.2
151.04012	27.5
152.04428	1.3
153.01930	1.6
159.04518	2.6
159.08167	1.2
161.02477	11.1
161.06061	2.9
162.03186	3.5
163.04045	8.2
164.01140	2.8
164.04787	1.0
165.01942	6.8
165.05472	1.4
166.02495	1.6
167.03468	1.2
173.06000	1.0
174.03159	1.5
175.04002	3.5
176.01152	9.9
176.07112	1.8
177.01930	16.6
177.05446	1.2
178.02727	7.1
179.03519	8.7
180.03957	1.3
185.06059	1.1
187.04010	2.4
187.07703	1.8
188.04802	1.8
189.02026	1.3
190.02635	2.7
191.03508	18.2
192.04213	3.6
194.05647	0.9
195.06599	1.0
197.06044	4.2
203.03484	2.4
203.07188	4.4
204.04248	1.3
205.05083	9.5
206.05757	1.2
213.05560	13.9
214.06041	1.7
215.07124	51.5
216.07475	3.8
219.06593	1.9
219.43494	1.0
221.08316	1.1
224.04984	1.2
227.07085	1.1
229.08743	1.4
231.02780	1.0
239.07208	2.1
245.08200	5.6
246.08157	1.2
255.06625	3.5
257.08218	12.4
259.06110	1.8
261.78748	1.0
283.06219	2.2
289.07190	21.8
290.07513	2.8
301.07178	100.0
302.07520	8.7
303.08838	1.8
309.07797	1.4
312.25989	1.1
315.08847	9.8
315.12296	1.7
343.11621	1.9
357.13461	3.5
463.12503	2.9
535.15991	2.1
577.82733	0.9
597.21765	1.0
641.20374	13.2
642.21014	4.4
659.21350	49.3
660.21600	12.5
669.21802	2.1
821.26019	13.4
822.26270	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	820.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54558	0.3
59.01381	1.5
61.98830	100.0
71.01390	0.8
71.18961	0.5
79.95732	0.3
80.91715	0.2
80.96526	1.5
83.05016	0.2
85.34715	0.2
89.02457	0.7
94.98098	0.3
101.02456	0.8
111.08183	0.9
113.02429	0.4
116.92886	0.4
161.04604	0.3
169.12367	0.4
195.13997	1.1
197.11832	3.9
205.12402	0.3
211.13383	0.8
215.65384	0.2
223.13484	0.7
235.08279	0.5
253.09312	3.5
275.20175	0.8
279.23312	0.4
289.18149	0.3
290.18192	0.3
291.19629	2.2
292.20068	0.4
293.21231	13.2
294.21649	0.6
307.19296	0.5
309.20700	6.2
310.21078	0.3
456.18378	0.2
545.28735	0.3
585.41815	0.3
660.51068	0.3
820.40173	0.3
820.53717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98833	100.0
63.87364	0.2
68.24200	0.2
69.46308	1.6
71.01385	0.3
78.91904	0.2
79.95718	0.2
80.96537	1.2
85.02966	0.3
87.00910	0.3
94.98096	0.3
96.96008	0.4
98.20646	0.3
102.15247	0.2
107.14281	0.2
109.06639	0.2
116.92845	0.4
117.55824	0.2
141.01793	0.2
151.60483	0.2
171.10397	0.2
225.00745	0.3
229.85378	0.2
253.09338	0.3
291.19601	0.2
293.21323	0.8
309.20770	0.6
319.22806	0.3
437.88489	0.2
530.90564	0.2
555.18610	0.2
731.36981	0.3
820.53729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
63.96229	1.7
67.81757	0.5
69.03457	1.3
69.33924	4.6
71.01383	10.0
73.02946	1.7
78.95889	0.8
78.98590	8.7
79.95738	16.1
80.96516	92.7
81.03433	1.1
81.95317	1.1
81.96474	0.6
82.96088	5.0
82.96939	0.8
83.01367	0.5
85.02949	3.3
87.00869	3.2
94.98087	21.4
96.95985	1.5
96.97661	1.3
97.02954	1.9
98.19898	0.9
99.60191	0.4
101.02437	2.9
106.98092	4.6
113.02485	0.8
122.97596	4.7
125.02462	3.9
126.94064	0.6
127.04005	1.1
134.97577	6.7
136.99130	1.6
139.29570	0.5
146.97519	0.4
148.99135	6.8
152.98619	7.0
158.55711	0.5
164.98633	15.1
165.98911	1.0
166.98146	0.6
188.98541	0.6
206.99669	2.4
225.00740	19.3
225.02968	0.9
226.01042	0.9
227.00385	1.1
238.70619	0.6
255.23318	1.2
281.24756	1.4
322.91580	1.1
428.07590	0.6
469.17807	0.5
480.86453	0.7
537.27289	1.3
563.29004	2.8
619.23895	0.6
739.27698	0.5
816.07977	0.5
819.52753	100.0
820.53180	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	820.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54558	0.3
59.01381	1.5
61.98830	100.0
71.01390	0.8
71.18961	0.5
79.95732	0.3
80.91715	0.2
80.96526	1.5
83.05016	0.2
85.34715	0.2
89.02457	0.7
94.98098	0.3
101.02456	0.8
111.08183	0.9
113.02429	0.4
116.92886	0.4
161.04604	0.3
169.12367	0.4
195.13997	1.1
197.11832	3.9
205.12402	0.3
211.13383	0.8
215.65384	0.2
223.13484	0.7
235.08279	0.5
253.09312	3.5
275.20175	0.8
279.23312	0.4
289.18149	0.3
290.18192	0.3
291.19629	2.2
292.20068	0.4
293.21231	13.2
294.21649	0.6
307.19296	0.5
309.20700	6.2
310.21078	0.3
456.18378	0.2
545.28735	0.3
585.41815	0.3
660.51068	0.3
820.40173	0.3
820.53717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.5
59.01384	9.1
61.98838	14.0
62.21190	0.4
71.01387	11.5
71.31409	0.6
72.99321	0.9
73.02953	9.3
75.00871	1.3
79.95763	0.5
80.96522	1.6
81.03506	0.5
83.01407	0.8
85.02942	1.0
89.02446	2.9
101.02454	100.0
102.02804	2.7
113.02452	2.2
119.03500	2.8
119.51187	0.4
125.02516	0.4
131.03532	0.9
133.31599	0.5
143.03549	0.5
221.06700	1.9
233.15494	1.2
249.51402	0.4
273.22266	2.0
277.21759	20.1
278.22156	2.6
291.19745	1.0
291.23273	0.9
304.06854	0.4
315.19662	0.5
319.19180	1.0
319.22760	6.8
320.23145	0.8
331.22949	1.2
349.23953	1.6
439.02603	0.4
446.64285	0.5
482.05362	0.5
734.44476	0.5
819.53357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.5
58.59872	0.4
59.01381	1.3
63.96245	2.6
66.80358	0.4
70.53454	0.3
70.81797	1.2
71.01386	10.4
73.02953	2.3
78.98598	8.2
79.95263	0.6
79.95742	16.8
80.96523	100.0
81.03471	0.9
83.01385	0.8
83.11066	0.4
85.02959	4.2
87.00875	3.8
94.98093	21.4
95.01376	0.5
96.96027	1.0
97.02947	2.0
99.00914	0.5
101.02457	2.4
104.21275	0.4
106.98094	4.8
122.97598	4.4
125.02448	3.8
127.04051	0.7
134.97581	6.5
136.99121	1.4
146.97612	0.6
148.99149	7.3
152.98627	7.2
164.98643	14.4
206.99704	2.8
225.00737	19.2
255.23335	1.9
277.21701	1.2
537.27484	0.9
559.25885	1.5
815.49878	87.6
816.50244	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.98835	100.0
62.31586	0.4
63.02416	0.8
65.00347	0.6
69.07600	0.4
70.19025	1.4
70.19427	0.8
71.01389	2.4
78.98603	1.3
79.95758	2.7
80.96522	17.5
85.02962	0.9
87.00909	0.8
93.03455	0.6
94.98094	4.0
97.03056	0.4
98.19881	0.4
101.02460	0.8
106.98085	0.7
107.01392	1.1
114.20753	0.4
117.03474	6.8
119.05049	5.6
122.97661	0.6
125.02433	0.7
133.02971	0.4
134.97603	1.0
145.02963	21.5
146.03317	1.1
148.99181	1.2
151.00357	2.8
152.98642	1.2
158.03807	0.5
159.04509	0.8
160.01663	1.0
163.04012	5.1
164.98682	2.5
175.04047	1.2
183.33459	0.4
187.04044	3.7
199.04140	0.5
217.05074	0.4
221.15500	0.6
225.00745	2.9
227.03511	2.1
229.05138	0.7
242.02240	0.8
243.03001	2.8
244.03943	0.5
255.03061	4.4
257.04602	0.8
270.01849	0.7
271.02475	5.8
272.03183	1.2
273.07788	1.0
283.02527	0.6
284.03296	2.4
285.04074	8.1
285.07104	0.7
286.04504	1.0
287.05643	0.8
291.09079	0.8
299.01999	4.7
300.02731	11.3
301.03226	1.0
313.03647	0.9
314.04376	3.3
315.05127	22.9
316.05542	2.0
333.20816	0.6
437.12390	11.3
437.18082	0.8
438.12793	2.0
467.13660	1.2
589.13965	1.0
607.14783	1.5
665.47784	0.5
753.18298	16.0
754.18658	5.2
815.49847	10.6
816.50244	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	816.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
65.00330	0.2
71.01411	0.5
71.61533	0.3
73.02959	0.2
78.98601	0.3
79.95763	0.7
80.96526	4.2
80.96995	0.2
85.02965	0.3
87.00892	0.3
88.98841	0.4
94.98104	1.2
96.64077	0.2
97.02990	0.2
106.98148	0.2
117.03482	1.4
119.05072	1.7
121.03000	0.2
122.97608	0.2
134.97610	0.4
145.02971	6.3
148.99197	0.3
151.00453	0.6
152.98650	0.4
159.04570	0.3
163.04016	1.8
164.98691	0.6
179.43123	0.2
187.04077	0.7
213.86877	0.2
225.00835	0.6
242.02254	0.2
243.03046	0.8
244.60185	0.2
255.03018	1.1
255.28030	0.2
257.04816	0.2
271.02478	1.9
273.07858	0.4
285.04086	0.4
286.04596	0.2
299.02042	1.1
300.02780	4.1
300.05981	0.4
301.03256	0.3
313.03693	0.4
314.04242	1.0
315.05127	7.8
316.05502	0.5
346.92816	0.2
437.12411	3.2
438.12817	0.5
511.63202	0.2
589.13885	0.5
607.14453	0.3
753.18335	4.1
754.18719	1.4
815.49475	2.8
816.50201	2.0
820.50201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69719	0.8
59.01377	0.9
61.98827	3.0
63.96241	2.3
70.06692	0.9
70.24136	0.9
71.01388	12.0
73.02934	1.9
78.98592	7.9
79.47729	0.8
79.95323	1.4
79.95748	17.8
80.96525	100.0
82.96097	1.6
85.02959	4.3
87.00874	4.7
94.98097	22.7
96.96015	1.9
96.97636	1.1
97.02944	2.1
101.02431	3.6
106.98094	3.0
122.97626	4.2
125.02444	2.6
127.04021	1.1
134.97581	7.0
136.99138	1.9
148.99179	7.7
152.98666	6.7
164.98647	13.0
206.99706	3.4
210.15512	0.9
225.00754	17.8
255.23332	1.2
277.21848	1.2
440.96838	0.8
518.44922	0.9
561.27466	2.5
622.80676	1.0
817.51361	91.5
818.51886	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	813.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15900	0.3
59.01376	0.4
60.48483	0.3
60.99308	19.2
61.98831	4.3
64.82606	0.3
69.72158	1.9
71.01371	0.4
72.84625	0.3
88.98809	100.0
89.99118	0.9
96.53702	0.3
99.32336	0.3
117.03497	0.5
119.05048	0.3
123.04586	0.4
145.02922	0.6
158.79211	0.3
163.04025	0.6
174.34111	0.3
227.03554	0.4
255.03183	0.8
284.03311	0.6
285.04010	1.4
286.04251	0.3
414.35495	0.4
490.49380	0.3
526.94788	0.3
723.17047	1.5
842.69427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	8.0
64.01070	2.1
65.01782	1.8
71.01376	9.3
78.98582	7.3
79.95742	18.2
80.96517	100.0
85.02910	2.9
87.00866	4.2
94.98076	20.9
96.95958	2.9
106.98069	5.6
122.49120	1.8
122.97523	4.8
125.02438	2.5
134.97562	6.2
148.99130	8.5
152.98630	4.6
164.98596	14.3
165.94043	2.2
193.07323	2.2
206.99748	3.4
208.96693	2.2
225.00732	20.2
227.58711	1.9
404.50049	2.2
437.79987	2.2
498.94806	2.3
707.31970	2.4
752.01862	2.0
815.49725	81.7
816.49890	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	811.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01383	0.9
60.99255	0.6
61.98832	14.0
71.01393	1.5
71.64146	0.6
71.69511	0.5
73.02961	0.6
74.77211	0.5
84.85484	0.5
88.98809	0.9
93.03474	5.4
95.05051	0.7
96.96022	1.2
108.02198	1.3
109.02951	1.8
121.02968	6.6
122.03757	15.3
123.00919	0.9
123.04525	1.9
124.01675	1.3
125.02464	2.9
132.02176	0.9
133.02977	2.6
134.03743	1.2
135.04556	1.0
136.01654	3.3
137.02444	4.7
139.04012	1.2
145.02983	1.9
146.03745	1.1
147.04495	1.2
149.02454	29.9
149.06056	1.4
150.03235	100.0
151.04005	10.3
152.01144	0.9
153.01912	1.2
160.01651	1.2
161.02458	1.7
161.05978	0.6
162.03217	1.2
163.03961	1.6
164.01169	0.7
164.04820	5.7
165.01942	13.8
165.05580	98.1
166.02649	0.8
166.05919	4.7
168.00630	1.0
175.03990	3.2
177.01930	0.8
177.05585	1.4
179.03537	4.5
179.07115	3.5
180.04286	15.6
181.04927	1.7
188.04817	0.6
189.05566	1.7
190.06349	3.8
191.03511	0.6
191.07201	2.5
193.05029	2.1
194.05902	2.7
195.06636	82.0
196.06978	4.9
205.05077	0.8
205.08705	3.8
207.06667	2.5
208.07455	1.9
210.05286	1.7
223.06000	0.6
225.07686	10.0
226.08031	0.8
233.08548	7.5
234.08966	0.6
242.09575	1.2
245.08250	0.8
257.11917	0.7
265.14444	0.6
269.08374	0.6
270.08942	2.5
284.06894	0.7
285.08112	0.5
285.11374	2.7
286.08533	0.7
289.07285	1.1
297.07529	0.6
298.08450	1.7
299.09164	2.2
301.10684	1.0
310.08606	0.6
311.09235	1.6
313.10800	1.2
314.07898	2.6
324.10080	0.7
325.10703	1.4
326.07919	1.0
326.11496	0.9
328.09531	0.8
329.10336	7.7
330.10464	0.7
340.13019	0.9
341.10321	9.5
342.10880	1.1
343.11887	1.6
344.12625	12.8
345.13159	1.8
356.12564	3.3
357.13184	1.3
358.14117	0.8
359.15027	34.0
360.15323	4.5
371.14990	16.7
372.15414	2.8
373.12967	6.2
374.13336	1.0
375.14233	0.7
389.11475	0.7
389.16068	9.1
390.16525	1.4
403.13336	0.7
421.14975	2.5
436.18130	0.6
537.21460	4.8
538.22021	0.7
552.19434	0.5
567.22375	12.5
568.22614	2.3
585.23724	3.4
613.22937	1.0
614.23572	0.7
615.24481	5.1
616.24316	0.9
715.27460	0.6
745.28815	0.7
763.29681	1.8
764.29614	1.1
776.07678	0.6
811.31769	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	811.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.0
59.01383	0.8
69.03444	0.8
71.01386	1.0
71.62355	0.5
73.02943	0.5
80.02644	0.4
81.03463	2.9
83.01387	3.5
85.02951	0.7
93.03448	1.6
95.01369	0.9
95.05035	3.4
97.02954	6.9
99.00921	0.4
99.04572	0.6
101.02445	0.4
108.02177	1.1
109.02956	26.0
110.03296	0.5
111.04514	0.5
115.82314	0.4
121.02970	4.0
122.03745	0.8
123.00870	0.4
123.04527	16.5
125.02449	16.3
126.02785	0.5
135.04533	2.2
137.02460	10.5
138.03241	0.9
139.04007	3.9
145.02940	1.5
146.03735	1.3
147.04520	0.4
149.02458	4.3
149.06067	0.4
150.03198	1.3
151.04007	8.1
157.06616	0.5
158.03676	0.7
159.04491	3.1
160.05283	1.8
161.02448	1.0
161.06082	5.1
162.03201	1.7
163.04034	0.9
164.01137	3.7
165.01933	3.5
166.02492	0.5
167.03496	1.9
173.06116	1.2
174.03191	0.9
175.04079	2.0
175.07668	1.7
177.05586	0.4
179.03487	6.3
185.06108	1.2
187.04028	4.8
188.04814	4.3
189.05484	0.4
193.03963	0.4
195.07098	0.4
199.07668	0.7
201.05560	1.0
202.06360	2.2
203.07158	13.0
204.07457	0.9
205.05067	8.6
206.05452	0.5
212.04720	0.6
217.05055	0.8
217.08740	0.8
221.08176	3.4
227.07108	2.1
228.07664	0.4
229.04926	0.6
230.05894	0.8
231.02966	0.6
245.08202	17.5
246.08592	1.4
247.06111	1.3
250.05074	0.6
271.06158	1.0
278.04462	1.7
288.05719	0.5
289.07181	100.0
290.07538	9.6
359.15042	1.3
459.92184	0.3
521.26007	1.8
522.26526	0.5
630.83643	0.4
811.27625	0.9
812.28436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01369	3.6
63.01826	0.8
67.01881	0.9
69.03461	0.9
69.53146	7.0
71.01380	2.8
73.02909	1.0
74.08446	0.8
81.03449	1.6
83.01394	7.7
83.65635	0.9
85.02968	1.7
89.02457	1.8
93.03461	3.2
95.01412	2.1
95.05032	4.1
97.02962	8.4
101.02419	2.0
108.02173	4.3
108.92123	0.8
109.02961	26.0
110.03270	1.4
112.62579	0.8
118.49595	0.8
121.02975	6.1
122.03754	4.3
123.00880	1.0
123.04528	19.4
124.01643	1.1
125.02447	17.1
133.02939	2.2
134.03755	1.9
135.04584	4.5
137.02455	22.3
139.04039	5.0
145.02934	1.7
146.03690	2.4
147.04500	1.7
149.02472	9.4
149.06082	1.7
150.03140	1.9
151.03999	8.9
159.04517	4.3
160.05197	2.1
160.96819	0.9
161.02452	7.9
161.06102	8.8
162.03218	3.4
163.03993	4.7
164.01128	4.8
165.01906	10.1
167.03470	1.0
173.05991	1.4
175.04027	4.9
175.07631	2.6
176.04694	1.6
177.01825	1.9
177.05519	3.8
179.03532	5.8
185.06134	1.6
186.06789	1.2
187.03993	6.7
188.04707	4.1
189.05359	1.0
191.07146	1.3
195.82426	0.9
199.07637	1.6
201.05516	2.6
202.06308	1.9
203.03459	1.4
203.07121	15.9
204.07541	1.8
205.05028	12.9
213.05615	1.9
215.07104	2.0
216.04181	0.9
217.05092	1.0
221.08240	5.0
227.07123	3.1
228.07916	1.0
229.05019	1.6
231.02873	1.7
243.02956	1.2
244.03749	1.2
245.08189	19.3
246.08528	2.1
247.06078	2.5
257.04422	4.5
259.06070	3.8
270.05466	2.0
271.06036	1.4
273.07602	1.1
285.07581	1.8
287.09180	2.3
289.07187	100.0
290.07489	10.5
301.07056	2.5
325.07245	2.6
339.08618	1.3
437.12408	1.2
449.12402	14.4
450.12842	1.6
467.13083	4.2
503.19684	1.0
507.17087	1.4
657.22046	4.1
658.22125	1.2
659.23175	4.8
669.21912	1.8
767.28827	1.6
811.28217	41.0
812.28534	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	809.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52011	10.4
61.98841	100.0
67.42442	11.9
71.26420	21.1
98.75880	13.9
112.29619	13.0
122.97624	17.8
167.01204	15.2
176.97864	14.3
533.08105	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	810.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37925	0.1
59.01382	0.3
61.98830	100.0
62.98534	0.2
63.99232	0.1
67.62034	0.1
71.01395	0.2
79.05632	0.1
83.01389	0.1
85.02974	0.1
89.02420	0.1
98.19881	0.2
101.02440	0.1
109.02965	0.2
123.04604	0.2
124.01675	0.1
125.02488	0.2
137.02483	0.2
145.03073	0.1
150.03223	0.2
151.03989	0.1
161.02486	0.1
163.02885	0.1
163.04158	0.1
165.05606	0.2
195.06590	0.2
205.05115	0.1
245.99048	0.1
285.04117	0.1
301.07254	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	808.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98836	100.0
62.98534	0.2
63.99264	0.2
70.05406	0.6
71.01402	0.2
81.67301	0.1
89.07865	0.1
98.19927	0.1
101.02453	0.2
125.02548	0.3
137.02489	0.2
140.04420	0.1
161.02438	0.1
165.01891	0.2
196.20937	0.1
235.16557	0.1
249.15036	0.4
732.56665	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	809.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
58.00600	2.9
59.01387	46.5
71.01389	52.2
72.99314	3.2
73.02962	8.9
83.01388	6.9
85.02960	18.2
87.00900	3.4
89.02457	28.0
92.43946	1.2
92.54691	1.0
95.01381	3.0
99.00883	4.1
101.02454	35.8
109.02957	3.4
110.64340	1.1
113.02457	17.0
117.00806	1.1
119.03537	10.9
123.04516	1.3
125.02472	5.8
125.40662	1.1
129.01956	1.2
131.03546	2.1
137.02444	19.0
143.03496	2.7
151.04062	2.6
152.01189	1.4
152.04800	8.5
153.05400	1.9
159.02980	2.2
161.02481	1.4
161.04553	12.0
163.04022	1.3
165.05586	2.4
167.03496	3.5
167.07175	2.0
179.03540	2.8
179.05663	7.5
184.03821	2.3
191.03513	1.9
191.38565	1.3
194.05809	1.6
197.04558	1.6
209.08185	4.1
212.06903	14.8
227.09254	35.6
228.09599	3.2
257.10284	9.5
289.07266	1.6
301.52618	1.1
389.14548	100.0
390.14841	15.0
419.15598	67.8
420.15930	7.6
676.18890	1.4
713.63055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01092	0.8
59.01383	10.3
61.98839	13.0
71.01387	9.4
71.62347	1.0
73.02950	1.4
80.96507	1.7
81.37147	0.7
83.01414	1.2
83.05033	0.9
83.47335	0.7
85.02950	2.9
87.00883	2.1
89.02437	7.5
97.06615	1.0
97.47978	0.8
101.02452	7.4
113.02443	4.4
113.09734	2.1
116.42794	0.6
116.92880	0.9
119.03513	2.1
125.02473	2.3
137.48659	0.6
143.03474	2.1
161.04608	3.8
161.05714	0.6
171.10275	29.3
172.10629	1.5
179.05565	1.9
179.14459	1.2
195.13916	16.6
196.14200	1.6
223.13431	5.7
235.08089	3.4
242.25450	0.7
253.09282	26.8
254.09470	0.9
255.23311	20.5
256.13171	1.1
256.23709	2.4
275.20081	4.4
277.21741	11.7
278.21988	1.9
293.21243	77.6
294.21518	7.4
295.22791	100.0
296.23083	11.3
305.08640	0.9
379.12399	4.1
390.02548	0.8
397.13489	12.4
398.13840	1.2
415.14734	2.2
571.43463	3.6
572.43872	1.3
807.41937	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	808.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59560	0.1
59.01381	0.3
61.98837	100.0
63.44169	0.1
69.66174	0.1
71.01397	0.3
71.62784	0.2
73.02942	0.3
79.32775	0.1
85.02978	0.2
88.98857	0.2
101.02454	0.2
109.02978	0.2
113.02482	0.2
121.02961	0.2
122.03863	0.1
125.02479	0.4
130.16400	0.1
137.02455	0.5
149.02469	0.2
149.99693	0.2
150.03255	0.2
151.04053	0.2
157.53795	0.1
158.54665	0.2
161.02528	0.2
165.01942	0.4
168.00653	0.2
175.03996	0.1
176.52774	0.1
177.78416	0.1
180.04276	0.2
181.05127	0.2
195.06720	0.3
223.06102	0.4
249.15190	0.2
285.04153	0.2
327.21890	0.4
375.27628	0.4
398.14102	0.1
457.40607	0.2
464.40485	0.2
539.72424	0.2
546.80475	0.2
745.40021	0.2
809.37634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	1.0
57.05204	0.8
58.53739	0.8
59.01384	22.2
61.98822	3.8
64.70904	0.9
71.01392	1.2
71.62557	0.9
71.62885	1.1
85.70399	0.9
93.03461	3.9
95.05008	1.7
108.02194	1.1
109.02958	2.1
113.02455	1.1
120.99622	2.3
121.02953	5.1
122.03753	12.7
124.01646	1.3
125.02460	3.0
132.36230	0.9
133.02940	1.8
136.64557	0.9
137.02440	4.1
149.02441	31.9
150.03227	86.9
151.03520	4.4
160.01651	1.2
161.02373	1.2
164.04831	9.8
165.01970	7.1
165.05568	100.0
166.05943	5.0
175.03954	1.0
177.02028	0.9
179.06966	1.5
180.04265	9.5
181.10583	1.0
195.06627	57.8
196.06937	3.2
207.06624	1.7
225.07724	4.2
270.08774	1.3
285.11368	2.6
289.06906	1.1
298.08517	1.2
298.97720	1.0
299.09274	2.3
311.37354	1.0
314.07901	2.0
325.11099	1.1
326.07974	1.4
326.11688	1.4
327.12418	3.3
328.13052	5.9
329.10260	5.0
330.10947	1.5
333.87183	1.0
341.10236	8.3
343.15491	3.4
344.12564	8.4
344.16238	1.2
345.13354	1.3
356.12665	5.3
359.14999	22.3
360.15308	4.2
371.15045	15.8
372.15158	3.0
389.16040	3.2
409.79395	1.1
492.17813	2.9
493.17932	1.6
507.20279	6.6
508.20444	1.1
519.20728	1.1
537.21332	47.5
538.21539	9.2
567.22266	1.5
584.82892	1.0
585.23383	91.0
586.23712	21.1
615.24878	1.0
645.25427	1.0
807.28705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
57.53925	0.2
59.01093	0.2
59.01376	3.7
61.98833	5.7
64.00136	0.2
69.03461	0.2
71.01382	2.3
72.99325	0.3
73.02942	0.4
78.03789	0.2
78.95916	0.1
80.96533	0.4
83.01394	0.3
83.05022	0.2
85.02953	0.6
87.00887	0.5
89.02448	2.1
95.05014	0.3
98.20627	0.4
99.00916	0.3
101.02455	2.7
102.03248	0.2
111.08181	0.4
113.02448	1.2
113.09718	0.3
116.92793	0.2
119.03503	0.5
126.84794	0.1
141.09219	0.2
143.03529	0.2
150.50464	0.2
161.04568	1.4
167.10808	0.4
171.10271	0.8
177.12811	0.3
179.05621	0.4
179.10860	0.2
179.14384	0.7
181.12292	0.2
195.13895	7.5
196.14409	0.6
197.70389	0.2
205.12337	0.8
205.16029	0.4
211.13496	0.8
223.13387	5.5
224.13828	0.4
225.14966	0.2
228.13654	0.9
229.40617	0.2
231.21234	0.4
235.08250	0.8
239.12955	0.2
250.22560	0.2
253.09274	15.5
254.09531	1.1
256.13202	1.1
257.13489	0.2
265.21661	0.5
275.20126	6.0
275.23138	0.3
276.20520	0.7
293.21216	100.0
294.21542	11.0
360.86981	0.2
492.22223	0.3
529.30035	1.1
569.42047	1.3
570.42786	0.3
633.67175	0.2
805.40491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.4
61.98834	3.6
69.09282	1.0
69.41695	7.7
69.42101	2.0
70.70000	1.1
71.01389	1.7
71.58588	1.3
71.60898	1.1
85.02951	1.9
87.00892	1.1
89.02454	1.5
93.03464	3.9
95.01385	1.6
101.02466	2.2
109.02953	1.1
111.35106	1.1
121.02958	4.5
122.03752	12.3
123.04539	2.4
125.02447	3.2
131.81032	1.0
133.02975	1.3
136.01672	2.1
137.02443	4.8
138.03088	1.2
140.15886	1.0
149.01241	1.9
149.02443	32.8
150.03227	93.2
151.03687	4.3
160.01688	1.0
161.02356	1.2
163.03981	1.2
164.04799	9.0
165.01933	15.4
165.05569	100.0
166.05882	5.4
175.04005	1.1
175.67441	1.0
177.02003	1.6
179.03496	2.6
179.07011	1.1
180.04295	12.6
181.04968	1.2
187.40121	1.2
195.06616	60.4
195.42575	1.3
196.07001	3.1
205.04955	1.3
225.07678	8.9
270.08884	1.7
285.11340	2.4
289.07224	2.5
299.09494	1.6
314.07977	2.0
323.89478	1.0
326.08023	1.9
327.12378	4.1
328.13184	5.9
329.10202	5.8
341.10269	7.5
343.15479	3.4
344.12613	8.4
345.13187	2.0
356.12518	6.5
357.13229	1.9
359.14984	23.7
360.15366	3.7
371.14993	16.5
372.15125	2.3
389.15857	6.5
461.16327	2.0
492.17929	3.2
507.20441	7.0
508.20731	1.4
537.21332	51.0
538.21509	10.0
567.22693	1.4
585.23401	96.8
586.23682	25.8
615.24506	2.9
759.28870	1.7
807.29700	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	805.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.9
58.00601	2.7
59.01386	35.0
61.98843	19.5
65.42218	2.5
69.03458	3.4
69.47210	8.0
69.47641	14.0
71.01388	27.7
72.99310	4.5
73.02940	2.7
83.01392	12.6
85.02972	6.1
87.00892	3.2
88.98844	3.8
89.02460	16.4
93.03468	7.6
95.01404	3.3
96.95997	4.1
97.02957	3.6
101.02445	15.8
108.02183	42.6
109.02973	19.2
111.00906	4.8
113.02449	9.6
113.90729	2.9
119.03508	8.0
121.02973	8.3
122.03757	4.5
123.04546	29.0
124.01656	29.5
125.02457	44.8
135.04491	4.0
136.01666	39.2
137.02455	37.8
140.01118	3.5
145.02922	11.4
146.03734	2.8
147.04485	2.8
148.01704	3.5
149.02434	12.7
150.03249	16.1
151.04008	57.7
153.01923	2.9
161.02478	13.7
161.06042	3.0
163.00392	4.3
163.03975	7.7
164.01080	6.5
164.04779	3.1
165.01927	38.4
165.05653	3.0
166.02670	5.8
175.04021	7.2
179.03494	11.8
180.04294	14.6
181.05032	9.3
183.10172	2.9
187.03918	6.6
195.06601	17.7
199.03993	3.1
205.05075	8.7
210.05341	4.6
225.05690	4.0
225.07724	12.8
226.06262	4.1
227.03494	3.3
229.05008	3.4
243.03026	3.1
245.08089	4.7
255.03036	5.2
269.04437	6.0
270.05261	16.2
285.04047	7.8
289.07245	18.6
299.16501	3.5
311.16687	6.0
353.16055	8.9
417.15598	11.4
479.22821	38.9
480.22971	7.8
491.22882	100.0
492.23184	15.5
515.18945	6.4
595.22223	8.3
596.21539	5.0
625.26801	32.2
626.26477	6.2
635.21655	3.9
641.29736	3.4
642.19409	9.5
643.28326	5.0
644.28101	3.7
664.35406	3.0
775.60559	3.4
805.34705	74.3
806.32434	20.0
839.75085	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	805.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98829	8.8
62.74834	0.5
64.11695	0.5
67.01905	0.9
70.95797	0.9
70.96112	0.5
71.01389	2.2
72.36185	0.5
73.02975	0.6
83.01382	1.2
85.02975	1.0
87.00900	0.8
88.98813	0.7
89.02477	1.1
95.01423	0.8
95.05051	0.6
97.02956	0.8
97.06601	1.1
101.02463	1.3
107.05024	0.9
108.02183	0.8
109.02954	3.5
109.96796	0.5
111.04523	0.5
113.02435	1.0
121.02992	1.0
121.06612	2.2
122.03710	0.5
123.00907	1.4
123.04539	1.3
124.01663	0.9
125.02461	3.4
135.04561	3.6
136.01645	1.2
137.02449	18.4
138.03163	0.5
139.03995	1.1
148.05295	1.3
149.02481	1.2
149.06079	0.7
150.03160	0.7
151.00380	6.1
151.04033	2.7
152.01097	1.4
153.01929	0.6
159.04617	0.6
161.02457	2.0
163.04008	1.8
164.01193	1.5
165.01929	96.9
166.02701	18.6
167.03401	1.6
175.04050	1.5
177.01952	1.9
177.05583	0.7
178.02515	0.6
179.01862	0.8
179.03494	15.5
180.04279	59.4
181.05051	19.5
182.05484	0.9
187.03993	0.8
189.12869	0.8
190.02599	0.5
190.06305	0.8
191.03441	0.7
192.04286	0.7
193.05048	0.6
194.05815	2.3
195.02934	1.9
195.06625	79.3
196.06967	4.9
203.03557	0.7
205.05069	2.8
207.06616	1.0
210.05330	13.6
211.05809	0.7
217.12299	1.3
220.07445	1.0
221.08090	0.8
225.07675	100.0
226.08012	6.7
235.06320	0.5
247.37564	0.5
261.11295	13.6
262.11578	1.1
263.12881	0.6
289.07153	1.2
308.84628	0.6
325.16940	0.5
359.11279	0.6
372.12546	0.6
373.97443	0.6
387.10574	1.8
387.14575	5.4
402.13278	1.5
417.15540	20.5
418.15839	3.5
479.20517	1.1
595.21869	5.9
596.22076	1.2
613.22894	1.0
643.23871	13.5
644.24524	3.7
730.94794	0.6
805.33484	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	805.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.6
59.01382	30.9
61.58567	1.7
61.98849	9.2
66.65725	1.7
68.99818	2.1
69.15501	1.8
71.01392	21.4
71.63465	2.7
72.99336	3.2
73.02914	1.9
77.78855	1.7
83.01398	6.7
85.02975	3.6
87.00871	4.6
89.02440	18.8
89.09290	1.9
93.03451	3.2
95.01373	3.2
97.02965	3.4
101.02457	16.0
105.03443	2.4
107.05072	1.8
108.02177	37.5
109.02972	9.9
111.00900	2.0
113.02449	7.7
119.03545	3.2
119.05029	2.2
121.02978	6.3
122.03751	7.2
123.04532	28.2
124.01679	33.6
125.02474	18.1
133.03023	2.7
135.04523	5.4
136.01682	38.1
136.99156	2.4
137.02486	23.1
139.04082	2.3
139.88847	1.9
145.02963	11.1
147.04555	2.5
148.01682	8.2
148.05276	2.7
149.02454	7.8
150.03215	18.3
151.04019	48.4
152.04485	2.1
159.04500	3.5
160.05388	1.9
161.02496	5.3
161.06223	2.3
162.03214	2.5
163.04045	9.6
164.01183	3.6
164.04770	5.7
165.01950	18.1
167.03447	2.1
175.03964	4.7
176.04739	2.9
177.01955	2.9
177.05579	6.0
178.02757	3.2
179.03596	4.4
183.04620	2.2
185.06152	2.2
187.04013	4.1
193.05093	5.2
201.05545	3.1
203.07164	2.9
205.05061	2.5
211.03748	2.3
225.05595	4.0
226.06357	5.8
227.03413	3.7
269.04608	6.3
270.05417	18.1
271.05844	2.7
279.12265	3.4
285.04123	3.2
289.07153	7.2
299.16501	2.5
310.08813	2.2
311.16656	4.4
312.17191	2.2
323.16602	2.0
351.40466	2.2
359.32718	2.4
373.16827	3.8
438.37079	2.4
479.22906	45.7
480.23203	8.0
491.22910	97.7
492.23267	16.2
583.22333	11.6
583.30182	2.4
584.22473	2.4
625.26532	32.9
626.26715	8.6
643.28040	13.9
644.28064	3.2
805.33118	100.0
806.33594	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98829	8.8
62.74834	0.5
64.11695	0.5
67.01905	0.9
70.95797	0.9
70.96112	0.5
71.01389	2.2
72.36185	0.5
73.02975	0.6
83.01382	1.2
85.02975	1.0
87.00900	0.8
88.98813	0.7
89.02477	1.1
95.01423	0.8
95.05051	0.6
97.02956	0.8
97.06601	1.1
101.02463	1.3
107.05024	0.9
108.02183	0.8
109.02954	3.5
109.96796	0.5
111.04523	0.5
113.02435	1.0
121.02992	1.0
121.06612	2.2
122.03710	0.5
123.00907	1.4
123.04539	1.3
124.01663	0.9
125.02461	3.4
135.04561	3.6
136.01645	1.2
137.02449	18.4
138.03163	0.5
139.03995	1.1
148.05295	1.3
149.02481	1.2
149.06079	0.7
150.03160	0.7
151.00380	6.1
151.04033	2.7
152.01097	1.4
153.01929	0.6
159.04617	0.6
161.02457	2.0
163.04008	1.8
164.01193	1.5
165.01929	96.9
166.02701	18.6
167.03401	1.6
175.04050	1.5
177.01952	1.9
177.05583	0.7
178.02515	0.6
179.01862	0.8
179.03494	15.5
180.04279	59.4
181.05051	19.5
182.05484	0.9
187.03993	0.8
189.12869	0.8
190.02599	0.5
190.06305	0.8
191.03441	0.7
192.04286	0.7
193.05048	0.6
194.05815	2.3
195.02934	1.9
195.06625	79.3
196.06967	4.9
203.03557	0.7
205.05069	2.8
207.06616	1.0
210.05330	13.6
211.05809	0.7
217.12299	1.3
220.07445	1.0
221.08090	0.8
225.07675	100.0
226.08012	6.7
235.06320	0.5
247.37564	0.5
261.11295	13.6
262.11578	1.1
263.12881	0.6
289.07153	1.2
308.84628	0.6
325.16940	0.5
359.11279	0.6
372.12546	0.6
373.97443	0.6
387.10574	1.8
387.14575	5.4
402.13278	1.5
417.15540	20.5
418.15839	3.5
479.20517	1.1
595.21869	5.9
596.22076	1.2
613.22894	1.0
643.23871	13.5
644.24524	3.7
730.94794	0.6
805.33484	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	802.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98833	100.0
79.57491	0.2
149.16060	0.2
166.29213	0.2
211.13499	0.6
212.13797	0.2
248.74318	0.2
252.80928	0.2
277.21704	0.3
278.22180	0.2
286.67953	0.2
326.40131	0.2
478.78152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98833	100.0
62.35926	0.6
69.33859	4.5
69.34288	1.7
71.01380	1.7
87.00851	0.9
88.98761	0.7
89.02439	1.0
93.03477	0.7
93.70467	0.7
96.95997	0.7
105.61158	0.7
107.01405	0.7
109.02959	0.8
113.02408	0.9
117.03491	2.6
119.05014	2.6
121.02972	7.3
125.02490	1.3
135.00925	0.8
137.02481	1.2
145.02939	8.1
151.00366	1.4
152.73907	0.6
157.66112	0.7
159.04501	0.8
163.00441	0.7
163.04044	2.0
163.22621	0.6
187.04053	1.7
211.03969	0.9
211.13394	5.5
212.13779	0.9
215.62225	0.8
221.16640	0.7
223.03729	0.7
227.03484	7.5
229.05110	2.6
239.03255	0.7
255.02998	13.0
256.03662	2.1
257.04568	1.5
273.07767	0.9
283.02545	2.9
284.03244	17.7
285.04041	24.9
286.04517	2.6
336.42072	0.8
397.13596	1.4
425.10419	0.7
437.12418	2.0
454.45117	0.7
484.28000	0.7
559.12311	1.2
577.13812	1.1
619.14581	8.0
620.15027	2.0
723.17267	9.2
724.17334	1.5
741.18134	11.1
742.18378	4.1
804.35931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.34952	0.8
61.98834	100.0
63.02410	1.0
65.00344	2.2
70.20346	2.7
71.01402	1.5
83.01399	2.0
93.03477	1.1
96.96027	0.9
107.01395	4.5
108.02190	1.5
109.02968	2.3
117.03451	5.5
119.05035	4.2
121.02948	2.2
125.02454	1.9
135.00914	1.1
135.04457	1.1
137.02429	1.5
145.02943	11.4
151.00372	15.2
152.00896	1.1
161.02486	3.0
163.00325	1.7
163.04002	2.8
165.01923	1.3
175.03970	1.0
178.99875	9.4
183.04552	1.3
211.03908	1.4
211.13434	2.8
215.03479	1.4
217.12312	1.5
226.02773	1.8
227.03464	3.6
229.05083	1.4
243.02911	8.1
244.03354	1.2
254.02164	1.4
255.02983	26.8
256.03406	2.6
266.67734	0.9
271.02481	54.5
272.02921	7.4
273.03925	1.5
283.02487	1.3
284.03232	2.6
285.04037	5.2
299.01965	3.2
300.02750	92.5
301.03452	41.6
301.06531	0.7
302.03812	3.0
318.01047	0.9
406.83328	0.9
447.09311	1.9
550.16876	1.0
577.13550	2.9
593.12933	34.3
594.13232	7.2
630.03839	0.9
739.16675	74.0
740.17053	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	802.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59723	2.4
57.03439	10.7
59.01376	3.0
61.98821	13.1
65.03947	2.5
69.96404	2.5
71.01347	2.4
71.62300	2.8
83.01385	8.4
84.78055	2.7
86.28316	2.3
87.00890	3.2
88.84945	2.4
93.03442	3.2
95.05007	3.9
97.02954	6.4
99.70739	2.4
102.10386	2.3
107.05025	4.0
108.02178	3.3
109.02966	36.5
110.03355	2.3
121.02967	5.9
122.03713	4.0
123.04531	32.0
125.02450	81.4
126.02756	3.9
133.02950	5.7
135.04503	4.6
137.02461	27.1
139.04024	5.4
143.05156	2.7
145.02916	3.0
147.04523	2.7
149.02402	10.2
149.91490	2.4
151.04001	30.8
159.04514	13.4
160.01624	3.7
161.02448	23.0
161.06061	8.7
162.03122	4.5
163.00348	4.1
163.04019	13.9
164.01088	7.0
165.01900	5.2
167.03427	3.9
173.05971	3.1
175.04042	21.1
177.01910	10.2
177.05569	4.0
179.03491	5.4
183.04510	9.7
185.02354	7.7
185.06015	4.0
187.04022	16.5
188.04680	3.6
189.01888	5.7
197.06131	3.5
199.04008	6.6
201.01711	2.8
201.05571	9.6
203.03459	4.4
203.07121	14.9
205.01485	2.6
205.04982	11.8
211.03966	5.4
213.05579	4.2
215.03506	3.2
217.05038	3.9
221.08084	3.6
225.05588	23.6
226.05894	3.6
227.03410	6.5
227.07153	4.0
229.04990	7.8
231.02937	3.4
241.05032	6.0
243.02934	5.5
243.06448	3.0
245.04532	31.4
245.08127	16.3
247.06084	3.2
253.05101	3.3
255.02968	20.4
256.03653	11.5
257.04510	5.5
269.04535	100.0
270.04904	9.1
271.06027	6.8
273.04019	9.6
281.04532	13.1
282.05069	3.4
283.02448	4.9
285.03867	6.4
287.05621	4.9
289.07181	88.6
290.07538	4.9
293.04453	3.0
297.04074	5.1
305.06546	7.2
339.08688	8.8
382.11539	3.4
407.07706	97.1
408.08115	15.5
419.02570	3.4
419.07654	3.0
425.08801	53.2
426.09158	4.4
433.09250	14.1
449.10974	20.8
450.11359	3.0
451.10388	7.0
461.10651	3.1
541.11652	5.7
559.12573	12.6
577.13300	3.0
587.13977	16.2
588.14734	3.2
613.15454	7.5
739.18896	52.0
740.18933	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	799.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.6
61.98833	11.3
65.72138	0.8
70.04919	0.6
71.01380	2.9
79.95717	1.1
80.09167	0.6
80.96524	4.4
85.02963	1.0
89.02431	2.2
93.65744	0.6
94.98103	1.2
101.02439	2.6
104.05762	0.6
113.02465	1.4
118.36017	0.6
148.99144	0.8
161.04539	1.0
164.98557	1.0
183.13918	6.6
193.58292	0.6
211.13396	100.0
212.13768	7.0
225.00772	1.9
235.08302	1.1
253.09285	6.0
254.09581	0.7
277.21716	54.7
278.22021	5.3
429.21570	1.4
447.22473	8.3
448.22339	0.9
708.44989	0.8
709.38135	3.9
781.41077	0.9
799.41901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
58.00580	2.6
59.01380	55.7
61.98831	32.0
71.01382	45.3
71.64256	2.3
72.99303	5.9
73.02966	2.3
73.40701	1.6
83.01397	4.4
85.02949	8.8
87.00883	15.3
89.02445	61.7
92.02127	1.5
95.01405	1.9
96.95988	1.9
101.02445	26.5
113.02445	24.7
114.27309	1.6
114.83636	1.5
116.92861	3.9
119.03500	24.7
125.02467	2.9
131.03452	2.7
141.01965	2.3
143.03520	10.4
161.04553	9.7
178.01802	1.5
179.05602	27.9
195.13907	4.6
198.99666	1.5
260.91782	1.6
261.68170	1.4
277.21713	100.0
278.22064	12.9
291.23245	4.4
312.66315	1.7
313.18170	5.1
317.20950	4.1
319.22812	7.3
323.09836	36.1
324.10226	4.0
341.10876	66.8
342.11053	7.9
593.57794	1.8
601.32410	16.2
602.32550	3.8
770.17560	1.9
797.46460	2.3
798.47095	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	798.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
61.98833	100.0
62.73023	0.1
62.98519	0.2
63.92110	0.1
69.94389	0.1
92.35113	0.1
95.07529	0.1
101.29824	0.2
116.92871	0.6
117.92903	0.2
122.31330	0.2
128.62503	0.1
209.11708	0.2
211.13492	0.2
277.21704	0.2
293.21298	0.4
294.21597	0.2
319.22726	0.2
401.88663	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98814	0.6
63.02406	0.7
65.00323	0.7
71.63284	0.3
74.99088	0.3
83.01390	1.1
87.00912	0.3
87.99879	1.1
93.03480	0.9
97.91991	0.2
101.02437	0.3
101.33974	0.2
107.01416	1.4
109.02949	0.4
112.23336	0.2
117.03446	0.5
118.98130	0.4
119.01415	0.4
119.05016	1.4
120.99661	2.1
123.04549	0.5
124.01582	0.3
125.02499	0.5
137.02396	0.7
143.05026	0.4
145.39609	0.3
147.00853	0.3
149.02473	0.9
150.03239	0.4
150.27905	0.3
151.00374	3.2
154.04263	0.3
155.05002	0.5
157.00273	0.2
159.04546	0.6
161.02428	0.3
163.00340	0.6
164.01152	0.3
164.04872	0.5
165.01968	0.6
171.04556	0.6
173.02406	0.3
173.05899	0.4
175.00354	2.7
176.01201	1.3
177.02019	0.3
177.05615	0.3
182.03685	0.3
183.04497	1.3
185.06062	0.8
187.04083	0.5
190.02734	4.4
191.03426	1.4
195.06427	0.3
199.03938	0.3
205.05080	3.1
209.04526	0.3
211.03984	1.2
212.04427	0.4
213.05632	0.6
215.03523	0.3
227.03517	7.9
228.03894	0.8
229.05061	0.7
239.03481	0.8
240.04276	0.4
241.05045	0.7
243.02925	0.5
255.02997	20.4
256.03455	2.4
257.04596	0.7
269.04572	0.3
277.08813	0.3
282.99326	0.6
283.02496	13.6
284.03241	15.5
285.04050	100.0
286.04388	8.9
289.07053	0.3
298.04919	0.4
299.05618	8.4
300.05978	0.7
327.05188	0.5
353.08838	3.9
354.09064	0.4
367.11880	1.0
431.09839	13.7
432.10144	2.0
445.11530	0.5
584.02362	0.3
652.14069	0.5
653.15173	23.2
654.15326	5.3
734.95770	0.3
799.20416	2.0
800.21527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
61.98837	5.7
71.01382	0.2
71.62490	0.3
73.02950	2.4
75.00899	0.3
81.48180	0.2
88.47814	0.3
99.92592	12.2
100.92602	0.4
114.93448	0.7
116.92871	100.0
116.97252	0.8
117.01947	3.8
117.92081	0.5
117.92888	6.4
146.20370	0.2
149.37688	0.2
204.39832	0.2
208.39331	0.3
227.52531	0.2
233.15433	0.2
293.21048	0.3
406.52255	0.3
753.04260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98838	2.8
71.31133	0.1
73.02948	1.5
80.96584	0.1
99.00883	0.4
99.92588	11.6
100.92612	0.8
100.93223	0.2
114.46120	0.1
114.93431	0.6
114.99506	0.1
116.92867	100.0
116.97246	0.5
117.01936	3.0
117.92875	6.7
117.93742	0.3
364.22910	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	793.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.7
61.98834	36.9
68.99564	1.6
69.80975	3.5
69.81380	7.9
71.01384	23.2
73.02943	3.7
82.93980	1.5
85.02958	1.6
87.00891	2.0
89.02444	4.3
97.02927	2.3
98.20571	2.9
99.00858	2.1
101.02437	4.8
106.94611	1.6
109.06570	2.6
113.02454	2.0
116.92850	4.5
125.09711	2.7
126.24212	1.5
161.04489	2.2
163.11266	3.5
171.10289	20.2
181.08646	1.8
181.12350	3.8
199.09770	24.3
199.13411	3.6
201.11334	30.1
207.10271	16.5
225.11313	19.6
235.08246	6.5
243.12405	4.0
253.09279	15.1
254.09444	1.8
258.01389	1.6
277.21719	100.0
278.22134	12.1
297.04398	1.7
382.46185	1.7
417.17764	2.5
435.18585	4.6
435.24265	1.8
461.20193	5.4
695.40137	5.1
721.41833	4.4
739.43018	5.1
757.43811	9.2
758.44727	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	793.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	9.2
62.22544	5.3
65.42528	5.0
66.88649	5.3
70.47955	18.3
71.01386	11.6
78.98602	11.1
79.95731	17.8
80.47903	5.3
80.96524	100.0
94.98099	18.4
98.20554	6.9
106.98135	7.9
122.97585	9.1
134.97575	12.7
148.99139	15.7
152.98665	12.4
164.98605	18.9
225.00739	25.7
779.63324	7.2
792.50922	6.0
793.51367	95.2
794.52209	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98836	3.6
73.02947	3.3
75.00863	0.2
87.00906	0.2
89.02437	0.3
92.92879	0.2
99.00889	0.7
99.92587	11.7
100.92599	0.7
107.54291	0.2
114.69743	0.2
114.93468	0.4
116.92866	100.0
116.97258	1.0
117.01938	5.9
117.92874	5.3
125.02442	0.5
259.56354	0.2
317.21112	0.6
319.22806	1.8
320.23157	0.3
327.71341	0.2
418.84253	0.2
495.19580	0.2
555.42017	0.2
606.94928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15085	0.2
56.17128	0.2
57.03454	0.2
59.01387	0.9
61.98834	3.6
64.85892	0.2
71.63190	0.2
73.02950	3.9
75.00883	0.5
85.12907	0.2
90.76543	0.2
97.99249	0.2
99.00897	0.6
99.92589	12.6
100.92603	0.6
114.93427	0.5
116.92867	100.0
116.97230	1.0
117.01945	7.3
117.92878	6.8
123.08128	0.2
125.02464	0.5
128.60957	0.2
137.02466	0.2
137.49722	0.2
207.22624	0.2
207.55525	0.2
293.21274	0.7
315.19696	0.6
317.21295	0.4
431.60370	0.2
687.59009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03442	2.8
58.00599	1.0
59.01382	8.9
61.98837	11.6
69.03463	1.5
69.29826	2.3
69.30234	8.0
71.01389	9.1
72.99332	2.7
73.02949	3.4
75.00863	1.0
83.01394	9.4
83.05027	1.3
85.02958	3.9
88.98804	1.6
89.02454	6.0
93.03472	4.1
95.01373	2.3
95.05022	1.9
97.02969	6.4
98.19894	2.0
99.00869	4.3
101.02453	6.9
108.02168	3.2
109.02975	15.2
109.06579	1.0
111.00878	1.5
113.02451	2.5
119.03600	1.1
119.05079	1.1
121.02955	6.9
121.06601	2.1
122.03781	9.2
123.04549	14.2
123.30927	1.0
124.01654	2.9
124.04887	1.0
125.02472	6.6
135.04518	4.5
136.01642	2.3
137.02458	32.7
137.52321	1.2
138.03195	1.4
139.04028	4.2
145.02986	1.5
146.03720	2.4
149.02444	7.4
150.03185	2.3
151.04045	6.0
154.02707	3.2
155.10728	1.3
159.04517	4.4
161.02467	4.7
161.04829	1.3
161.06105	8.5
162.03174	2.0
163.03963	2.3
164.01205	8.6
165.01941	41.6
165.05559	2.1
166.02382	2.0
173.06044	1.4
175.04005	1.9
177.01906	1.6
177.05603	2.7
179.03438	4.1
185.06039	1.3
187.04030	6.6
187.07678	2.1
188.04770	1.6
190.02716	2.6
191.07201	1.7
201.05573	3.8
202.06288	2.1
203.07138	11.6
205.05078	14.6
206.05368	1.8
217.12354	4.1
231.03186	1.3
243.06517	1.6
244.07414	4.0
247.06049	2.5
258.60620	1.0
261.11322	8.8
277.10852	1.1
279.12408	1.6
289.07199	3.4
289.69089	1.0
401.12372	1.5
535.31195	2.5
613.22949	2.4
641.28162	7.8
642.28961	1.9
749.34320	2.2
793.32904	100.0
794.33405	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44232	0.1
58.41247	0.1
59.01374	0.4
61.98835	2.2
69.66265	0.4
69.66669	0.3
71.05006	0.1
73.02950	5.9
75.00864	0.4
80.07691	0.1
80.96535	0.2
97.36839	0.1
98.19918	0.2
99.00889	1.2
99.92593	11.7
100.92595	0.6
104.38830	0.1
114.93434	0.4
116.03565	0.2
116.92870	100.0
116.97179	0.9
117.01942	10.6
117.05582	0.2
117.92880	6.6
131.91626	0.2
147.02219	0.1
277.21664	0.2
326.00949	0.1
419.24649	0.1
443.86163	0.1
776.60156	0.2
793.52405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.2
59.01382	8.5
61.98831	11.8
69.03447	2.3
69.38528	12.4
71.01389	10.7
72.99312	1.6
73.02940	2.9
83.01399	8.1
83.05039	2.6
85.02955	4.9
87.00876	1.8
88.98821	1.5
89.02446	5.6
93.03464	3.7
95.01365	1.5
95.05025	2.1
97.02956	6.4
99.00867	4.4
101.02464	6.1
108.02189	5.0
109.02963	14.3
110.13860	1.6
111.00886	1.3
113.02441	4.4
119.05042	1.7
121.02991	8.8
121.06580	5.5
122.03760	10.1
123.04553	14.8
124.01678	3.6
125.02453	9.0
135.04520	3.4
136.01634	2.2
137.02463	37.9
138.03246	3.5
139.03967	5.9
145.02904	1.6
149.02412	8.9
150.03291	2.9
151.03993	6.2
154.02725	2.1
159.04509	5.0
161.02461	3.3
161.06093	8.0
162.03110	1.6
163.03976	2.7
164.01169	8.0
165.01942	37.1
165.05553	3.2
173.06041	2.0
175.04022	3.0
177.05588	2.8
179.03508	5.4
187.04015	5.2
187.07677	3.3
188.04752	2.0
190.02689	2.2
201.05565	2.9
202.06406	2.0
202.09944	2.1
203.03362	1.6
203.07146	11.3
205.05092	13.9
217.12312	9.0
231.03038	1.6
244.07310	3.5
247.06082	2.0
259.07108	1.7
261.11325	21.4
262.11710	2.5
279.12387	2.4
285.04001	1.7
289.07248	4.1
481.22125	2.4
513.10431	1.4
535.31451	4.6
548.15912	1.3
613.22681	3.0
641.28503	6.1
749.33557	2.7
753.52820	1.7
793.32861	100.0
794.33319	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	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
59.01389	0.8
59.65918	0.1
61.98833	3.3
70.60579	0.1
71.01394	0.2
71.05005	0.2
71.63720	0.2
72.19402	0.2
73.02950	7.0
73.22186	0.2
75.00887	0.7
80.96515	0.7
87.00865	0.2
89.02433	0.2
94.98091	0.2
99.00880	1.5
99.92587	12.4
100.92594	0.6
114.93421	0.4
116.03558	0.3
116.92864	100.0
116.97211	1.3
117.01942	12.2
117.05560	0.4
117.92871	5.7
118.02300	0.2
118.68866	0.2
123.04542	0.4
125.02435	1.0
137.02444	0.2
151.03998	0.3
160.60860	0.2
161.02350	0.2
164.11771	0.1
225.00877	0.2
249.15479	0.2
277.21671	0.3
437.16751	0.2
610.20892	0.2
793.51416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.00597	0.7
59.01383	16.7
69.67432	1.5
71.01388	11.7
72.01679	0.3
72.99313	1.3
77.86152	0.3
80.86873	0.3
81.45679	0.3
83.01389	0.6
85.02970	2.7
87.00876	0.9
89.02451	12.7
93.03444	0.4
95.01383	0.9
95.05016	0.9
98.20589	0.6
99.55274	0.3
101.02453	7.4
101.33002	0.3
109.02953	0.3
113.02457	4.7
119.03506	5.5
120.99586	0.3
121.02962	0.8
125.02452	0.7
131.03555	0.7
137.02425	0.9
139.00331	0.4
143.03528	0.9
149.01387	0.3
149.02415	1.7
149.04567	0.6
156.90179	0.3
161.04594	0.9
163.04030	0.4
177.01941	20.8
178.02490	1.1
179.05603	3.0
191.03539	0.4
192.04291	33.7
193.04649	2.6
207.06630	100.0
208.06970	6.7
209.04576	0.3
211.06134	0.3
225.07684	1.8
297.10043	0.8
299.15024	1.7
309.09723	0.3
312.12366	1.0
387.12970	12.6
388.13437	1.7
403.20102	0.5
665.23303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03442	1.5
58.00584	1.3
59.01382	21.9
60.01719	0.4
68.06387	0.3
71.01385	18.6
72.01684	0.4
72.99308	1.3
73.02950	3.0
83.01385	1.6
85.02953	5.3
86.59535	0.4
87.00895	1.7
89.02447	16.2
95.01397	1.1
98.20602	1.1
99.00874	1.3
101.01787	0.6
101.02448	12.0
102.38397	0.4
107.20464	0.4
109.02943	0.8
113.02451	9.4
119.02734	0.6
119.03513	6.9
123.04485	0.5
125.02453	1.5
131.03539	0.8
133.10262	1.0
137.02466	1.6
141.08835	0.4
143.03503	1.3
145.06567	0.4
147.08151	0.5
149.04550	0.5
151.03999	0.7
159.02966	0.6
161.04576	4.3
161.09720	3.1
162.10098	0.4
163.11278	1.1
165.01901	1.3
166.02734	0.8
179.05615	1.4
179.14395	0.7
207.10297	0.6
223.13391	35.9
224.13756	2.8
225.14906	0.8
241.14432	4.7
242.14745	0.4
303.05124	0.7
304.05539	0.4
359.20715	0.7
401.18161	1.0
402.18549	0.4
403.19724	100.0
404.14697	0.6
404.20044	11.5
648.19330	0.4
780.44580	0.4
791.31622	0.8
792.31946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.1
59.01379	0.6
61.98832	100.0
62.98533	0.2
71.01424	0.2
71.86220	0.2
111.82391	0.1
116.92847	0.4
135.71178	0.1
150.76636	0.2
255.02913	0.3
262.64838	0.2
271.02502	0.4
277.21817	0.7
300.02762	1.0
301.03369	0.4
319.22879	0.2
335.43100	0.2
437.21222	0.2
723.30078	0.9
724.31342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40377	0.1
61.98832	100.0
63.02414	0.2
69.95092	0.3
69.95490	0.3
71.14716	0.1
79.07020	0.1
83.01387	0.2
93.03490	0.2
98.19947	0.2
107.01402	0.2
117.03471	1.8
119.05019	1.6
120.05424	0.1
121.02972	0.2
145.02956	6.5
146.03294	0.3
151.00362	0.8
163.04013	1.3
169.01413	0.1
187.04010	0.3
187.45421	0.1
201.05624	0.2
208.47963	0.1
211.04019	0.4
213.05550	0.2
227.03479	2.2
228.04062	0.2
229.05058	0.6
241.04906	0.1
248.56740	0.1
252.22784	0.1
255.02965	3.7
256.03674	0.7
256.50946	0.1
257.04465	0.6
273.07996	0.2
283.02576	0.4
284.03244	5.7
285.04019	7.6
286.04340	0.7
437.12671	0.6
559.12433	1.0
560.12836	0.2
723.17181	10.7
724.17401	3.2
724.29047	0.1
747.21069	0.1
816.41077	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.91603	0.1
61.98831	100.0
62.98519	0.2
63.02387	0.2
65.00308	0.1
70.01499	0.4
82.70492	0.1
83.01402	0.2
84.40014	0.1
91.01894	0.1
93.03461	0.5
107.01392	0.4
117.03468	3.3
117.73898	0.1
118.03825	0.1
119.05023	2.6
120.05374	0.1
121.02958	0.3
122.45260	0.1
123.04531	0.2
125.02448	0.1
130.04243	0.1
131.05025	0.1
132.02223	0.1
135.00923	0.2
137.02420	0.1
143.05048	0.1
145.02953	10.3
146.03264	0.5
151.00360	0.9
152.73405	0.1
154.04221	0.1
157.06689	0.1
158.03697	0.2
159.04535	0.6
161.06065	0.1
162.03209	0.2
163.00412	0.4
163.04010	2.5
163.05389	0.1
164.01120	0.1
167.05046	0.1
169.01453	0.1
169.06642	0.1
171.04518	0.1
173.06030	0.1
182.43976	0.1
183.04486	0.2
185.06094	0.4
187.03993	1.6
188.04295	0.1
189.05659	0.2
195.04613	0.1
197.06049	0.2
199.04001	0.2
201.05585	0.2
205.16528	0.1
211.03984	0.4
213.05560	0.3
215.07143	0.1
227.03500	2.2
228.03787	0.2
229.05064	1.4
239.03555	0.2
240.04242	0.2
241.04906	0.2
243.03029	0.1
255.02974	4.6
256.03497	0.8
257.04526	1.1
258.04971	0.1
267.03009	0.1
273.07568	0.3
281.86264	0.1
283.02493	0.7
284.03256	5.3
285.04022	15.1
286.04352	1.3
291.08719	0.2
342.10699	0.1
395.08411	0.1
419.11700	0.1
437.12415	4.1
438.12689	0.5
559.12408	0.6
560.12610	0.1
577.13373	0.7
578.13373	0.1
622.78076	0.1
723.17169	10.6
724.17542	3.5
724.27289	0.1
739.94934	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	785.171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19439	0.3
59.01369	0.8
60.02709	0.2
60.58549	0.4
61.98835	6.5
63.46467	0.3
70.93441	0.3
76.03292	0.3
77.03979	0.5
77.36484	0.3
83.05020	0.3
91.01933	0.4
98.20661	0.5
117.83678	0.3
120.02207	0.3
121.02966	100.0
121.58433	0.3
122.03307	3.8
126.47654	0.3
136.01654	0.4
165.01926	2.7
180.05835	0.5
181.05118	0.5
181.06607	2.4
191.03555	2.3
197.06306	0.4
209.04559	68.6
210.04890	4.1
225.05559	2.4
234.04147	0.3
248.16779	0.3
306.90308	0.3
313.07205	4.2
314.07635	0.6
357.06241	1.8
401.08801	11.1
402.09192	1.1
678.73004	0.3
785.17169	0.6
818.61090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.02388	0.4
65.00335	0.4
66.52187	0.3
69.88185	1.5
83.01398	0.4
84.27805	0.3
93.03477	1.0
107.01405	1.2
115.41914	0.3
117.03465	6.4
119.05027	5.6
120.05346	0.3
121.02974	0.4
126.75718	0.2
135.00879	0.4
143.05115	0.3
145.02954	23.4
146.03334	1.0
151.00362	1.8
157.06584	0.3
159.04501	1.6
161.06134	0.3
162.03281	0.4
163.00426	1.1
163.04010	5.9
164.04424	0.3
183.04555	0.4
185.06160	0.7
187.03989	4.6
189.05537	0.4
201.05611	0.4
211.04059	0.7
213.05675	0.6
227.03490	3.7
229.05043	2.6
239.03474	0.6
241.05113	0.4
245.59885	0.3
255.02957	7.3
256.01028	0.3
256.03629	1.2
257.04520	2.0
273.07593	1.3
283.02426	1.7
284.03250	9.7
285.04041	34.8
286.04431	3.4
437.12424	10.3
438.12622	1.7
559.12329	1.5
577.13556	1.9
723.17175	23.1
724.17487	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	782.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37501	0.3
61.98835	100.0
62.98558	0.3
63.16992	0.3
71.01419	0.3
80.96519	1.6
92.40836	0.2
94.98070	0.3
116.92887	0.6
133.27959	0.2
161.65718	0.3
175.16005	0.3
210.02075	0.2
225.00853	0.4
493.64063	0.3
621.13776	0.3
782.40906	1.8
783.42096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.0
61.98836	19.5
66.44473	1.1
71.01392	3.1
78.95868	1.2
89.02441	1.4
99.92587	1.2
101.02425	2.8
107.03775	1.0
113.02444	1.7
116.92859	4.9
116.99075	1.2
125.02444	1.3
125.09702	1.2
161.04517	1.2
178.11635	1.2
183.13889	3.8
193.12355	1.8
195.13899	4.8
209.11780	2.7
211.13406	100.0
212.13744	4.7
223.13350	2.7
234.02097	1.2
235.08244	3.9
253.09315	16.0
256.13107	1.7
273.76471	1.3
275.20166	4.9
277.21689	2.9
293.21259	64.7
294.21634	6.1
447.22324	8.4
648.16211	1.3
783.50104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54617	0.8
57.03448	1.6
58.00595	1.2
59.01381	22.8
61.98835	100.0
62.95170	0.7
63.99272	1.0
69.70299	4.3
71.01388	11.9
72.01751	0.7
72.99337	1.5
73.02957	3.2
78.44595	0.6
79.05567	0.6
80.71996	0.6
83.01403	2.2
83.05035	6.3
83.26981	0.7
85.02956	4.1
87.00858	0.8
88.98837	1.6
89.02448	7.9
95.01391	0.7
97.02984	1.2
99.00904	1.0
101.02458	8.5
101.06096	1.0
109.02966	0.8
111.04527	5.1
113.02435	3.8
119.03521	2.2
123.04530	1.1
124.01725	0.7
125.02454	3.6
127.04031	6.5
129.05560	4.8
129.90608	0.8
135.04625	0.8
137.02478	2.6
138.03220	0.9
139.04031	0.9
141.09251	0.9
145.02974	0.7
151.03987	1.2
152.04788	1.4
153.01877	0.7
159.89268	0.7
161.02502	1.5
161.04573	1.0
163.04073	0.8
164.01089	0.8
165.01938	1.2
165.05595	1.3
168.00706	0.8
177.01988	1.0
181.05214	0.8
190.02751	0.8
195.06615	0.9
263.12943	1.0
264.13379	1.1
285.04233	1.3
289.07327	1.6
305.06741	0.8
319.19162	1.2
320.19547	0.8
335.18753	1.1
367.25009	1.3
413.48755	0.7
479.30472	1.3
529.30573	2.2
531.31970	0.8
589.32373	2.2
590.32727	0.7
604.74402	0.7
615.37531	6.9
616.37329	1.4
641.35425	21.5
642.36108	7.1
657.38348	0.9
659.36401	2.0
696.86926	0.9
701.37543	26.9
702.37982	7.7
719.38550	14.9
720.38654	4.3
782.36011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4411
Annotation	lugdunin
Peak:m/z	Relative Intensity
54.64609	1.0
59.01369	2.0
60.69137	1.1
61.98813	3.4
63.96223	1.7
71.01385	10.6
73.02931	1.8
78.98592	8.4
79.95742	15.7
80.96516	95.9
81.03419	1.3
83.01373	1.3
85.02954	3.0
85.89677	1.1
87.00839	2.6
94.98082	21.2
96.96007	2.9
98.20600	3.5
99.92564	2.5
101.02429	4.3
106.98081	5.3
116.92841	1.4
122.97584	3.8
125.02448	5.2
134.97612	6.8
136.99081	2.1
146.98872	1.0
148.99135	8.0
152.98625	8.0
164.98618	17.1
179.75343	1.1
185.36609	1.1
206.99696	3.4
211.13290	1.9
218.22040	1.0
225.00723	22.2
255.23141	2.2
355.80121	1.1
525.20013	2.7
687.76019	1.2
781.44012	100.0
782.44366	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	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.3
61.98526	0.8
61.98836	10.0
69.84988	3.4
71.01376	3.8
71.05014	0.6
72.99335	0.6
73.02946	0.7
78.95897	0.8
79.95741	0.8
80.96516	4.4
81.80085	0.6
83.01361	0.8
85.02937	0.8
87.00854	0.7
89.02431	1.6
94.98037	0.7
96.96008	0.9
97.02953	4.0
97.06597	0.9
99.00872	7.0
99.92583	0.9
101.02437	2.6
110.03693	0.7
113.02436	1.0
116.92860	5.8
119.03545	0.7
125.02441	0.9
125.09699	1.7
135.08148	0.7
142.02684	1.7
145.05048	0.7
163.11282	4.1
174.13675	0.6
179.10849	0.5
180.45724	0.6
181.12315	8.0
190.69618	0.6
207.10262	24.7
208.10570	1.8
225.00679	1.4
225.11311	52.8
226.11699	3.3
235.08186	3.6
243.12343	6.9
253.09283	4.5
259.20355	0.7
277.21707	100.0
278.22055	12.3
279.23312	0.6
281.13803	0.7
443.19232	4.1
444.19388	1.0
461.20193	6.8
462.20343	0.8
471.91849	0.8
513.30310	1.0
577.37311	1.1
721.41718	20.7
721.54626	1.0
722.41815	5.1
752.99585	0.7
781.40253	5.7
782.40826	1.2
784.92535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.23763	1.1
55.83841	1.2
57.03446	1.9
59.01383	19.1
61.98828	18.3
63.42495	1.0
66.92088	1.1
69.40128	10.2
71.01373	4.7
73.02952	1.5
80.96519	5.7
83.05003	1.7
83.44494	1.3
89.02419	1.3
94.98078	1.2
95.12199	1.1
97.02953	8.1
97.06586	1.7
98.19907	2.5
99.00881	9.7
101.02437	2.9
109.06596	1.3
113.02444	1.7
116.92839	3.2
125.02411	1.8
125.09742	2.3
128.23880	1.3
136.05322	1.5
142.02702	3.4
163.11322	7.9
181.12346	19.1
199.13252	1.5
207.10254	46.4
208.10623	4.0
225.00549	1.6
225.11311	100.0
226.11629	9.7
235.08241	1.8
243.12337	12.7
244.12677	1.4
253.09229	2.5
263.20105	3.5
269.03799	1.3
277.21716	92.3
278.22058	12.8
281.24927	3.1
343.76654	1.4
443.19330	4.2
444.19806	1.3
461.20316	45.2
462.20428	5.1
483.74408	1.4
721.41681	26.9
722.41675	7.6
781.40820	6.8
782.41034	2.4
785.28064	1.3
803.87585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
57.57970	0.9
59.01380	3.6
59.31176	1.0
60.39480	1.0
61.98515	2.0
61.98833	34.4
65.90604	0.9
69.37552	0.9
70.60226	0.9
70.94497	1.0
70.94841	2.5
71.01383	3.4
72.99313	1.2
83.01385	3.0
85.02972	1.4
86.00884	1.0
89.02444	1.3
93.03449	6.6
95.01354	1.1
97.02943	2.0
101.02429	2.0
108.02143	2.7
108.05759	1.5
109.02956	2.9
111.04516	2.1
113.02402	1.8
116.92856	2.5
121.02979	7.5
122.03755	14.4
123.00819	1.6
123.04520	3.6
124.98666	1.0
125.02474	6.6
125.06102	1.7
129.22270	1.2
132.02158	1.9
133.02925	2.5
135.04535	1.3
136.01625	1.9
136.05283	0.9
137.02422	8.2
138.06848	1.4
139.07643	3.7
145.03001	1.3
147.04533	2.7
149.02441	35.4
149.06108	1.7
150.03229	82.0
151.03792	4.9
151.07631	6.3
152.04733	1.5
152.08363	3.1
153.02022	1.2
160.01685	3.2
160.05334	1.0
161.02425	3.5
162.03212	1.8
163.04030	2.6
164.04799	10.1
165.01907	3.6
165.05566	72.7
166.05925	4.0
167.03467	1.0
175.04019	5.3
176.01160	1.3
177.01944	1.2
177.05609	1.6
179.03485	2.0
179.07176	2.1
180.04292	8.1
181.04845	1.4
190.06389	2.5
191.07169	1.6
193.05080	1.9
195.06625	55.8
196.06908	3.8
201.12872	1.4
203.10760	1.5
204.11537	4.3
205.05159	1.5
205.08685	2.3
207.06570	1.0
209.11838	1.3
211.07773	1.1
212.04819	1.1
219.13869	5.8
225.07652	1.5
227.03619	1.2
242.09523	1.9
257.11911	2.1
263.12894	12.2
264.13184	1.1
267.06567	1.4
269.08154	3.8
269.11313	1.0
270.08939	8.6
271.09222	1.0
274.08850	1.0
282.08966	1.8
283.06027	1.2
284.06842	2.5
285.04016	3.1
285.07874	2.3
285.11362	8.0
286.08536	2.1
289.07144	2.9
297.07553	2.0
298.08481	5.5
299.09186	9.3
300.09598	1.5
301.10599	2.4
310.08371	2.1
311.09201	3.2
313.07224	2.7
313.10797	9.9
314.08008	8.9
314.11157	2.0
324.09930	1.7
325.10773	3.8
326.07901	4.5
326.11520	3.1
327.08386	1.6
327.12051	2.1
328.09528	6.8
328.12927	1.9
329.10300	23.7
329.13809	2.4
330.10779	4.8
340.13190	1.9
341.10287	26.7
341.13901	1.0
342.10602	3.8
343.11841	45.3
344.12592	41.9
345.13184	9.2
346.13867	1.3
356.12598	12.6
357.13199	4.3
358.14230	6.6
359.14993	100.0
360.15244	12.0
371.14972	61.2
372.15408	8.4
373.12912	3.3
389.15964	1.8
391.14017	6.1
507.20590	1.9
517.29987	1.7
521.32892	1.8
537.21381	19.1
538.21619	3.8
541.18591	1.2
585.23706	7.0
586.23608	1.8
703.27545	3.5
704.27234	1.4
733.28564	10.0
734.28766	5.0
781.30402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
59.01384	5.8
61.98832	12.8
67.03426	1.0
69.03462	1.1
71.01387	3.0
81.03461	2.4
83.01395	10.4
89.02431	2.4
93.03468	4.3
95.01373	2.0
95.05045	2.3
97.02953	11.1
108.02173	8.8
109.02962	27.2
121.02970	8.9
122.03709	5.4
122.63664	1.0
123.03716	1.6
123.04537	19.8
124.01700	1.7
124.04826	1.4
125.02448	20.1
133.02959	1.4
134.03700	1.7
135.04532	5.9
137.02449	21.3
138.03227	2.0
139.03987	5.1
143.04953	1.4
143.50279	1.0
145.02922	3.4
146.03731	3.7
147.04471	2.8
149.02432	11.6
149.99577	1.7
150.03192	1.3
151.00375	1.2
151.04004	8.9
154.02689	1.5
158.03729	1.2
159.04475	7.2
160.05247	2.0
161.02434	7.3
161.06081	12.3
162.03244	4.8
163.00342	1.4
163.03996	3.6
164.01129	5.6
165.01936	9.0
166.02347	1.1
167.03470	1.2
168.00632	2.0
173.06136	1.9
174.03104	1.3
175.03993	6.7
176.01118	1.9
176.08080	1.0
177.01947	1.7
177.05594	1.9
179.03487	7.0
185.06068	2.1
187.03992	7.4
188.04807	5.3
189.05379	1.9
192.07904	2.1
201.05544	3.1
202.06358	4.8
203.03481	2.3
203.07132	17.5
204.07416	1.9
205.05048	18.9
207.10263	1.2
212.04720	1.3
213.05626	1.8
218.09474	1.3
221.08162	2.3
227.07153	2.2
228.04248	1.3
229.05022	2.3
230.05748	1.4
231.02989	1.8
243.02936	1.2
243.10114	1.5
244.03656	1.8
244.07500	1.6
245.08203	21.5
246.08492	1.4
247.06145	4.6
257.04501	2.4
259.06113	4.3
271.06079	3.5
283.09708	1.6
289.07175	100.0
290.07529	9.0
295.09494	1.3
301.07056	1.3
311.09268	2.5
325.10709	1.2
326.11383	1.6
339.16068	1.2
341.13892	2.4
345.13571	1.6
421.16763	1.5
479.17239	1.6
507.16589	20.1
508.17053	4.6
587.23096	2.2
629.22198	4.1
631.21814	26.0
632.22437	6.2
744.35278	1.2
781.27148	48.5
782.27374	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	776.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.2
58.26203	0.2
59.01387	0.8
61.98833	100.0
71.01392	0.8
71.63454	0.3
71.63851	0.3
73.02954	0.5
76.65156	0.2
79.90851	0.2
83.01401	0.3
85.02952	0.3
88.98823	0.6
89.02455	0.5
101.02451	0.8
109.02962	0.3
113.02483	0.3
116.92847	0.6
119.03510	0.3
125.02466	0.7
137.02473	0.8
149.02422	0.3
150.03279	0.3
151.04079	0.3
161.02431	0.3
161.04654	0.4
165.01964	0.7
165.05635	0.2
171.10231	0.2
175.04065	0.3
179.05609	0.2
180.04271	0.2
189.05609	0.8
195.06593	0.4
205.05043	0.3
215.28766	0.3
230.04605	0.4
263.12918	0.8
267.15997	0.3
285.04083	0.7
289.07199	0.4
295.74222	0.3
341.10803	0.3
351.21844	0.4
367.10751	0.5
373.25833	1.8
374.26398	0.6
375.27502	5.8
381.12381	0.3
382.13052	0.9
387.24188	0.7
388.24335	0.3
405.25278	0.4
419.15720	1.5
506.42337	0.2
534.17914	0.5
550.21368	0.3
713.27289	6.7
714.27435	1.3
777.29163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.6
61.98830	19.9
67.07515	1.1
69.03445	1.5
69.74525	7.7
71.01391	4.5
76.63093	1.2
80.02854	1.4
80.96497	1.7
89.02456	2.4
101.02476	2.5
113.02440	2.3
123.06184	1.3
139.45239	1.2
167.10765	3.1
171.82025	1.4
179.14473	3.0
195.13892	9.1
205.12323	8.9
223.13387	100.0
224.13724	7.5
235.08182	3.8
248.77019	1.4
253.09280	10.4
277.21719	87.0
278.22034	11.4
328.55643	1.6
435.03439	1.3
441.21228	1.8
459.22281	14.1
460.22815	3.5
755.47864	1.4
758.33215	1.5
779.40149	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	779.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48735	0.2
59.01388	0.7
61.98832	3.6
79.95727	1.5
85.23765	0.3
95.95229	0.4
96.96012	68.6
98.20644	0.5
99.83315	0.3
116.92904	0.3
125.02411	0.3
145.42436	0.3
179.34828	0.3
218.62750	0.3
233.15390	0.3
265.14771	100.0
266.15106	8.1
356.04446	0.2
378.47870	0.3
388.85077	0.3
779.45233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.5
60.87991	6.0
61.12095	4.8
61.98832	100.0
71.30388	9.6
78.95918	5.5
96.98043	4.8
174.43527	5.0
202.63167	4.8
211.13336	11.3
303.23074	7.5
305.66840	5.3
431.12701	5.4
503.09818	6.2
608.15710	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	775.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
76.36996	0.1
81.77497	0.1
122.58237	0.1
128.47000	0.1
323.67303	0.1
640.34772	0.2
656.67487	0.1
666.54034	0.1
752.61639	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	775.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83503	0.3
60.89194	0.3
61.98833	100.0
65.49960	0.3
70.04884	1.4
74.12897	0.3
101.82352	0.3
112.91389	0.3
118.52750	0.2
122.97621	0.5
132.68144	0.3
188.70866	0.3
267.74658	0.3
269.57047	0.3
659.65564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01119	0.9
59.01378	9.2
61.98824	7.7
64.18558	0.7
69.03466	1.8
69.53073	4.0
69.53497	1.9
69.85119	0.7
71.01386	9.7
73.02954	6.5
73.85909	0.8
77.03951	0.7
82.32185	0.7
83.01395	5.8
83.04996	0.9
85.02925	2.0
88.98768	1.0
89.02439	9.3
93.03440	2.6
95.01399	1.1
95.05013	0.8
97.02961	5.9
98.19886	1.8
99.00883	18.8
101.02449	4.8
108.02182	5.3
109.02962	10.8
113.02435	1.9
120.40223	0.8
121.02969	6.8
122.03767	10.4
123.00894	1.1
123.04542	7.3
124.01624	4.0
125.02428	7.0
131.03490	2.3
135.04562	4.2
136.01634	2.9
137.02451	39.6
138.03242	1.9
139.03983	3.1
140.01155	1.0
146.03735	2.0
149.02498	4.8
149.04524	1.2
149.06149	0.9
150.03159	1.1
151.00314	0.9
151.04010	6.2
153.01872	0.8
154.02678	2.3
159.04475	3.1
161.02432	2.8
161.06129	6.2
162.03218	2.0
163.03989	2.4
164.01164	9.1
165.01927	53.6
166.02434	3.1
173.06100	0.9
175.03993	2.4
177.05519	2.9
179.03461	6.2
180.04169	1.9
181.05115	1.1
183.59879	0.7
187.03964	2.5
188.04761	1.5
191.05527	2.5
195.06589	1.8
195.41953	0.8
201.05646	1.9
202.06236	1.4
203.07120	4.8
205.03253	1.3
205.05042	14.2
206.05431	0.9
209.11652	0.8
225.07603	1.8
231.02971	1.5
242.34016	0.8
244.07495	1.6
245.08093	1.1
247.06082	1.9
285.03961	0.9
288.06213	1.9
289.07172	2.3
419.22061	2.9
463.21066	1.2
520.20013	0.9
550.21002	2.2
623.27051	12.7
624.27325	1.8
727.97540	1.0
731.32733	2.8
775.31818	100.0
776.32269	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
61.98812	1.8
68.20107	0.6
69.03455	1.3
70.25719	2.6
71.01389	9.4
72.99299	1.2
73.02949	6.6
77.03978	0.8
81.66418	0.5
83.01395	5.1
85.02959	1.2
88.98792	1.5
89.02435	7.9
93.03466	3.3
95.01375	1.4
95.05009	1.1
97.02952	4.9
99.00884	19.0
101.02454	3.6
108.02171	3.9
109.02959	8.6
113.02479	1.1
118.09721	0.7
121.02965	6.3
122.03747	11.6
123.04559	6.4
124.01672	3.9
125.02452	4.7
131.03491	1.6
131.05008	0.7
135.04494	2.3
136.01668	1.3
137.02443	36.7
138.03178	2.7
139.04018	3.7
146.03708	1.9
149.02441	5.0
149.06084	0.9
150.03178	2.2
151.04033	3.8
154.02690	1.6
159.04501	2.9
159.80968	0.6
161.02400	2.3
161.04814	0.9
161.06056	4.9
162.03226	1.4
163.00325	0.7
163.03987	2.3
164.01155	8.2
165.01932	49.5
166.02293	2.4
175.04028	1.4
177.05539	2.6
178.02672	0.9
179.03505	5.6
187.03984	2.4
188.04654	1.2
191.03758	0.7
191.05566	3.5
201.05565	2.1
201.09650	0.7
202.06287	0.7
203.03494	0.8
203.07164	5.2
204.04247	0.9
205.05061	12.4
206.05363	0.9
229.05154	0.7
244.07391	2.5
245.08249	1.1
247.06064	2.1
283.15439	0.7
288.06372	1.3
289.07083	0.9
295.71567	0.8
302.83685	0.6
339.45667	0.6
419.22238	2.0
564.32831	0.6
611.26483	0.9
623.27112	7.5
624.26959	1.6
731.32800	2.4
775.31818	100.0
776.32184	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	775.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07714	0.6
57.03452	1.0
59.01383	9.5
61.64947	0.6
61.98828	2.5
68.99827	0.7
69.03468	1.0
70.15052	2.0
71.01386	11.4
71.24799	0.8
73.02658	0.5
73.02961	6.6
81.03500	0.6
83.01389	5.4
85.02967	2.0
89.02451	10.5
93.03463	2.9
95.01395	1.5
97.02968	5.0
99.00888	19.3
101.02425	4.1
106.60398	0.6
108.02193	3.6
109.02958	10.7
113.02456	1.1
119.27655	0.8
121.02972	7.7
122.03758	11.6
123.00880	0.7
123.03684	0.9
123.04528	6.7
124.01648	2.9
125.02486	3.4
126.02793	0.7
131.03510	2.5
135.04506	1.6
136.01665	2.9
137.02461	38.5
138.03137	1.9
139.04050	3.1
146.03731	1.4
148.05280	0.6
149.02451	5.4
149.04553	1.6
150.03262	3.7
151.04031	5.4
153.38040	0.6
154.02657	1.1
159.04514	2.4
161.02428	2.8
161.04829	1.0
161.06068	5.0
162.03239	1.2
163.03983	1.4
164.01154	7.1
165.01944	53.6
165.05502	2.5
166.02446	3.0
173.06007	0.8
175.03992	2.4
177.05542	2.7
179.03540	6.6
180.04214	1.1
187.03998	2.8
188.04813	1.2
191.05649	3.2
195.06575	2.8
201.05534	2.3
202.06270	1.2
203.03537	0.8
203.07143	6.2
205.05064	11.4
208.03755	0.9
225.07657	1.1
231.03030	1.3
240.98380	0.8
244.07419	1.8
247.06107	2.2
270.05234	0.8
288.06335	1.7
386.32709	0.7
387.14670	1.3
395.22818	0.7
419.22186	3.6
565.20520	1.6
613.23444	1.0
623.26855	5.6
624.27332	1.6
706.28387	0.8
731.33807	1.6
775.31860	100.0
776.32153	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.9
60.49371	0.6
61.98836	10.3
70.49931	2.3
78.95892	0.7
89.03974	3.2
105.03425	1.0
108.02177	0.7
109.02963	1.0
112.05991	0.7
117.03448	5.2
118.30856	0.7
119.05026	3.7
121.02941	2.0
123.04536	1.0
125.02448	1.0
132.02176	9.7
133.02965	13.0
134.03748	81.4
135.04550	32.8
136.01663	1.3
136.04828	1.8
137.02454	8.5
138.03067	0.7
139.03954	2.3
145.02989	0.8
147.04494	2.9
148.05301	2.3
149.02400	1.9
149.06097	7.6
150.03172	1.6
151.04025	1.2
153.05478	0.7
160.01668	25.5
161.02457	12.9
162.03064	0.9
171.10266	0.9
173.06137	1.0
175.04012	17.9
176.04427	1.5
178.02718	9.4
179.03508	18.9
189.05519	1.2
192.04285	1.4
193.05061	30.5
194.05389	2.0
207.06644	4.6
209.11861	1.2
211.13350	0.8
225.61699	0.7
342.11038	0.8
399.14581	0.8
413.16092	2.6
437.15018	0.7
542.35327	0.7
565.20679	2.1
576.74432	0.7
579.22449	2.4
597.23492	3.5
598.23053	1.1
661.25476	0.8
758.25867	1.5
773.28101	100.0
774.28540	30.1
774.42792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01369	0.4
59.40975	0.3
61.98829	4.5
69.33413	2.7
71.01362	0.3
78.19633	0.2
81.72585	0.2
83.01366	0.4
105.43802	0.2
123.04559	0.4
128.42595	0.2
150.03178	0.3
151.03963	0.4
161.13377	0.5
181.66991	0.3
205.12326	73.2
206.10846	0.5
206.12668	5.5
249.11311	100.0
250.11644	10.2
283.20013	0.2
285.04327	0.3
308.60840	0.3
319.06650	0.2
408.70444	0.3
773.33771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
65.31260	0.3
68.05171	0.3
68.66618	0.3
80.96527	0.3
102.09850	0.3
102.25924	0.3
122.97596	0.6
180.28596	0.4
182.04022	0.3
240.18266	0.3
320.01764	0.3
322.95749	0.4
379.56464	0.4
390.92413	0.3
587.29193	0.3
613.89349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.0
59.01368	4.5
69.48252	25.2
75.60414	3.5
81.03436	6.2
83.01375	4.4
93.03450	4.4
97.02939	3.7
98.19830	4.0
101.02472	4.0
109.02946	31.1
110.90892	3.2
118.95937	3.6
119.45103	3.3
121.02959	6.5
123.04537	28.2
125.01628	4.8
125.02455	64.7
135.04521	7.2
137.02426	17.7
137.88567	3.9
145.02937	5.2
149.02406	9.7
151.03996	22.4
159.04483	12.1
161.02431	13.2
161.06027	6.9
163.03986	13.2
164.01189	7.0
165.01933	7.6
167.03467	5.1
175.03957	17.2
177.01953	6.5
179.03490	4.1
183.04480	5.7
185.02507	6.4
185.06082	4.9
187.03963	12.2
189.02019	3.4
197.06123	8.0
199.04060	4.9
200.14285	3.1
201.05508	8.9
201.97098	3.0
203.07106	9.5
205.05028	12.9
213.05608	4.5
215.03497	8.1
217.04810	3.1
225.05560	19.3
227.03540	4.1
227.07224	3.5
229.05089	6.9
241.04939	5.4
245.04515	22.6
245.08130	13.7
255.02989	13.3
256.03711	8.4
257.04483	4.4
267.02979	4.6
269.04538	100.0
270.04898	11.3
271.06201	5.5
271.91721	3.6
273.04019	7.2
281.04584	10.8
285.04083	8.8
289.07181	79.8
331.08060	4.6
339.08615	8.3
407.07660	89.8
408.08078	12.8
419.07584	4.7
425.08774	52.4
426.09171	8.0
433.09293	10.6
434.09488	5.5
449.10864	19.7
451.11902	3.0
461.10654	3.9
559.12482	10.2
587.13824	12.4
628.04230	4.1
739.18671	50.6
740.19366	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	770.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98835	100.0
67.20149	0.2
70.24937	0.2
71.62219	0.2
71.62592	0.2
90.80312	0.2
116.92867	0.8
195.61205	0.2
199.46913	0.2
212.13789	0.3
215.59599	0.2
217.76765	0.2
277.21680	0.2
278.22174	0.4
303.23117	1.0
304.23834	0.3
771.40137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98833	1.7
69.34315	0.4
69.34726	0.9
72.99334	0.3
73.02948	2.1
75.00856	0.2
78.95922	0.4
81.49525	0.1
88.98833	0.4
99.00839	0.2
99.92586	11.0
100.92580	0.6
114.93410	0.5
116.92865	100.0
116.97228	0.6
117.01944	3.9
117.05584	0.2
117.92866	6.2
125.09715	0.1
150.05746	0.1
152.99596	0.2
178.06468	0.1
293.21225	0.3
307.66492	0.1
346.17252	0.1
464.97577	0.1
748.35773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
58.00586	5.0
59.01382	100.0
60.01756	1.3
65.85864	1.1
69.65334	7.9
71.01385	76.3
72.01743	1.7
72.99314	4.8
73.02950	4.3
75.00864	1.6
83.01363	1.2
85.02955	13.7
87.00870	3.8
89.02449	88.7
90.02820	2.2
95.01385	4.0
101.02450	33.8
109.02995	1.3
113.02452	28.4
119.03509	26.8
120.99640	6.8
123.04498	1.2
125.02444	3.7
131.03499	4.7
136.99124	1.6
143.03525	10.0
149.04552	3.7
151.03957	1.4
152.08446	2.5
153.09212	7.2
161.04549	14.6
161.09766	1.9
175.85931	1.2
179.05618	66.3
179.10788	3.5
180.05954	2.2
205.12317	3.7
210.45688	1.3
223.13361	5.1
224.51004	1.1
281.13824	1.4
283.15332	1.8
289.07202	1.3
384.14453	1.5
385.14078	2.1
385.18698	7.3
390.26843	1.3
771.31024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83412	0.5
59.01380	1.9
60.99311	16.9
61.98833	8.2
64.77804	0.6
71.01393	0.5
71.12453	0.4
71.63931	0.5
78.49870	0.4
87.00877	1.2
88.00411	3.9
88.98811	100.0
89.02445	12.6
89.99158	1.0
116.92876	0.7
125.02505	0.4
126.29175	0.4
182.44783	0.5
223.47311	0.5
281.24930	1.1
347.15054	1.1
397.13565	2.1
405.09833	0.5
506.09259	0.5
769.49683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.00595	1.1
59.01379	19.0
61.98828	2.0
66.50021	0.5
69.28437	0.5
69.28967	4.9
71.01382	15.2
71.05034	1.0
72.01723	0.7
72.99309	1.4
73.02949	4.9
81.03461	0.7
83.01392	1.2
83.05025	2.7
85.02969	2.6
87.00887	1.1
89.02448	33.0
90.02779	0.9
97.02973	1.1
98.03738	3.0
99.00884	9.5
99.04512	1.7
99.27007	0.5
101.02448	17.6
102.02767	0.6
109.06590	0.7
113.02463	3.9
119.03522	1.5
123.08105	0.5
125.02473	3.1
125.09731	3.0
131.03505	7.2
135.11803	0.6
137.02431	1.0
143.03479	2.1
149.04556	41.6
150.04878	1.3
151.04013	1.5
153.01936	0.6
160.04051	3.2
161.02484	0.7
161.04567	2.8
162.13780	0.5
179.14442	2.7
187.11337	0.8
190.53111	0.5
191.05617	8.8
201.22508	0.6
203.14426	7.1
204.14702	1.2
205.12320	11.8
205.16081	0.7
206.12555	0.8
221.06664	5.9
221.15442	5.2
223.13388	1.8
249.11183	0.6
251.07712	3.5
265.14548	1.0
267.12399	35.7
267.16000	100.0
268.12726	4.7
268.16339	10.0
275.07831	0.7
289.07053	0.8
293.08884	2.8
311.09839	6.4
395.22592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01385	18.6
61.98838	100.0
71.01379	7.2
71.63036	1.0
73.02940	1.0
83.01398	1.6
83.05029	6.4
85.02981	2.4
88.98795	0.7
89.02457	1.7
95.01378	0.8
96.96046	1.0
99.04532	0.8
101.02459	3.2
109.02972	2.0
109.11037	0.8
111.04523	4.5
113.02484	3.3
114.88134	0.8
121.02981	0.9
123.04575	1.6
125.02482	3.3
127.04023	6.5
129.05629	2.4
137.02484	3.2
141.09239	0.9
149.02504	0.9
151.04010	1.4
153.01915	1.0
155.79115	0.8
161.02499	1.4
163.04094	0.8
165.01961	2.5
168.83998	0.8
177.01970	0.7
199.66406	0.7
247.13464	2.1
289.07269	2.1
465.32147	0.9
515.32660	1.0
601.39355	5.5
602.40344	2.0
627.37543	15.5
628.37823	3.9
645.38788	1.5
687.39642	19.1
688.40222	5.4
705.40686	12.9
706.41394	3.5
726.72418	0.9
769.33838	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	769.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39725	0.3
57.03433	0.7
57.27184	0.3
59.01375	0.7
61.98835	3.5
63.02410	0.6
65.00352	0.5
68.73219	0.3
70.39571	0.6
70.39960	0.6
71.01376	0.8
73.02942	0.3
74.99084	0.6
83.01404	0.9
83.05038	0.5
84.95361	0.3
85.02990	0.4
89.02414	0.4
93.03472	1.3
95.01384	0.4
101.02464	0.4
107.01400	0.9
109.02940	0.8
111.00915	0.4
112.62567	0.3
113.02456	0.4
117.03450	0.5
121.02954	0.5
121.06578	0.6
123.00852	0.3
123.04542	1.0
125.02448	2.2
132.02170	1.3
133.02957	0.8
134.03737	1.0
135.04504	0.6
136.99188	0.4
137.02438	1.3
139.00333	0.4
143.05037	0.5
149.06082	0.5
151.00391	2.7
151.03978	0.6
153.01945	0.4
159.04520	0.7
160.01677	4.3
161.02440	1.8
163.00394	0.8
164.01147	0.5
165.01889	0.9
166.02759	0.3
167.03555	0.4
167.04999	0.4
169.01472	0.6
169.06544	0.5
171.04533	0.5
173.02405	0.3
175.04041	3.1
177.01892	0.5
178.02823	0.3
179.03590	0.7
179.05173	0.3
183.04501	0.9
185.06055	0.9
187.04022	0.8
187.07605	0.6
189.05591	0.5
199.03937	0.4
209.09911	0.3
211.04033	0.9
213.05531	0.8
214.02878	0.3
217.12456	1.4
227.03506	6.5
228.04039	0.5
229.05063	0.8
239.03506	0.5
239.47737	0.4
240.04283	0.5
241.05095	0.4
243.02921	0.4
255.02994	12.7
256.03561	1.8
257.04456	0.8
261.11307	3.1
262.11813	0.4
263.12772	0.7
269.04523	0.6
283.02493	9.2
284.03271	11.2
285.04047	100.0
286.04391	9.8
289.07196	1.1
299.05597	4.4
300.02884	0.5
315.05121	1.2
323.07730	3.3
327.05200	0.7
337.09329	0.5
347.11334	0.4
350.90234	0.3
431.09915	6.7
432.10309	1.3
441.82266	0.4
623.14087	27.6
624.14453	6.4
769.19586	1.7
769.33209	0.4
770.19830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55614	0.8
55.16916	0.7
59.01382	16.6
61.98834	11.1
70.22762	3.0
71.01394	2.8
72.87245	0.8
80.96503	1.7
89.02454	1.6
93.11780	0.7
101.02470	1.9
113.02438	1.6
116.92874	2.4
161.04489	0.8
183.13876	7.6
193.12323	1.5
211.13409	100.0
212.13716	6.5
225.00735	0.9
235.08160	1.5
253.09279	7.7
277.21738	71.6
278.22083	6.8
303.23267	2.4
355.31808	0.8
439.28851	0.8
447.22430	6.9
602.24036	0.8
681.21576	0.9
764.23615	0.8
767.42377	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01376	1.0
60.23581	0.2
60.35478	0.2
60.99307	15.7
61.98815	1.1
69.03471	0.2
71.01374	0.6
71.64763	0.3
71.65159	0.3
73.02956	0.3
79.28852	0.2
81.03494	0.4
81.40783	0.2
83.01383	0.8
83.05027	0.3
85.02961	0.3
85.29007	0.2
87.00876	1.2
88.00414	2.1
88.98809	100.0
89.02445	5.7
89.99141	1.2
92.47521	0.2
93.03506	0.3
97.02999	0.3
97.06600	1.1
101.02462	0.6
107.05048	1.1
109.02982	0.4
113.02443	0.4
121.06590	0.9
123.04476	0.3
123.08239	0.3
125.02422	1.1
131.06749	0.2
135.08153	0.6
137.02437	0.6
137.09763	0.3
147.08112	0.3
151.03981	0.6
161.02426	0.3
161.36745	0.2
165.01915	0.3
183.83704	0.2
189.12846	0.7
201.12869	1.4
203.07185	0.2
203.10995	0.3
215.10760	0.8
219.13921	1.2
233.11771	2.1
245.11794	0.6
263.12872	13.7
264.13284	1.3
289.07254	0.4
350.35519	0.2
359.23065	0.2
677.49744	1.2
678.50232	0.4
767.50806	0.3
768.28430	0.4
775.86542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
60.56739	0.3
60.99307	18.1
61.98833	5.4
68.50623	0.3
70.02693	1.3
87.00883	1.3
88.00396	3.3
88.01216	0.4
88.98808	100.0
89.02441	11.3
89.99129	1.0
98.19946	0.4
107.47514	0.3
116.92858	0.4
117.27013	0.3
128.52078	0.3
197.00226	0.3
262.36227	0.3
279.23215	0.4
397.13684	1.1
537.65906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
60.99311	18.4
61.98833	4.6
70.15852	1.4
71.01389	0.7
74.52440	0.3
87.00875	1.9
88.00404	3.8
88.98810	100.0
89.02445	13.3
89.99152	0.8
93.34625	0.3
96.95981	0.6
101.02454	0.6
121.77394	0.3
169.01625	0.3
180.45564	0.3
221.11830	0.4
223.13399	0.4
223.33124	0.4
239.12857	1.1
261.91422	0.3
265.14667	0.7
279.23434	0.9
290.44281	0.4
291.19742	0.7
304.99106	0.3
309.20636	0.6
374.99792	0.3
397.13428	1.5
409.09741	0.3
687.00366	0.3
757.55078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14195	0.8
57.03458	1.8
57.25748	0.8
59.01385	18.2
61.98838	100.0
67.02892	0.7
71.01395	6.4
71.06077	2.0
72.54802	0.8
81.03459	0.8
81.43781	0.7
83.01378	1.2
83.05054	3.7
83.05489	0.7
85.02952	2.5
88.98806	2.0
89.02434	3.4
92.92857	0.8
95.01373	0.9
97.02927	1.7
101.02463	4.2
109.02960	2.5
110.83701	0.8
111.04516	2.1
113.02463	2.3
119.03480	1.4
123.04546	1.3
124.01684	2.4
125.02446	2.0
127.04025	5.3
129.05577	3.0
137.02425	3.2
141.09180	1.1
149.02368	1.1
151.03996	1.4
161.02432	2.5
161.54648	0.8
165.01910	1.1
167.03554	1.1
190.86142	0.8
191.03519	1.0
205.05087	0.9
245.08250	1.3
249.14981	1.4
289.07224	5.2
315.15927	4.2
400.41617	0.8
451.10550	1.0
477.18839	1.9
573.33191	1.0
587.47986	1.0
597.21240	3.3
599.37982	6.4
600.38672	1.1
615.22070	3.2
625.35901	14.5
626.36304	2.8
643.36395	1.3
685.38141	16.4
686.38416	4.9
703.39001	12.5
704.39685	4.8
767.26221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.3
59.01382	24.3
61.98832	100.0
64.57062	0.6
71.01388	9.2
71.06201	1.9
72.99318	1.0
73.02966	1.4
80.96506	0.7
82.13216	0.6
83.01406	1.2
83.05020	7.4
85.02942	3.3
88.98814	1.3
89.02432	4.5
93.03486	0.9
95.01419	1.1
96.96029	0.7
97.87892	0.7
99.04572	0.9
101.02440	5.3
109.02991	0.9
110.18928	0.7
111.04515	5.7
113.02454	4.3
119.03518	1.3
123.04549	0.8
124.01703	0.8
125.02461	2.3
127.04007	7.1
129.05583	4.2
137.02467	2.2
151.04019	0.9
152.04800	1.5
157.12306	0.8
159.02919	0.7
161.02409	1.2
161.04597	0.8
165.02031	1.1
193.09030	0.6
213.43594	0.6
277.12997	0.8
289.07126	1.4
328.77490	0.6
351.25699	0.9
356.84183	0.6
368.61032	0.8
437.33148	0.9
513.30878	1.6
573.32532	1.5
599.38104	7.9
600.38574	1.4
625.35944	21.4
626.36487	5.8
641.39380	0.9
643.37225	1.3
659.40265	0.9
685.38037	24.5
686.38239	7.4
703.39117	15.4
704.39246	4.0
767.30676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.1
61.98832	100.0
71.01387	9.7
71.63566	1.1
72.99320	1.0
73.02956	2.6
83.01385	2.8
83.05024	3.9
85.02967	5.5
88.98809	1.4
89.02435	2.7
91.92709	1.0
101.02438	6.9
109.02947	1.6
111.04512	3.2
111.47460	1.2
113.02436	3.3
123.04480	1.6
124.14505	1.3
125.02454	2.6
127.04045	4.9
127.07690	1.1
129.05557	5.2
137.02443	2.8
139.00648	0.9
145.02991	1.1
151.04057	2.4
161.02470	1.7
161.04616	1.3
165.01955	1.4
205.05028	1.4
245.11862	1.1
249.14934	5.9
263.12823	2.2
289.07123	3.4
437.32901	1.2
463.30911	2.0
576.01874	1.4
599.38220	8.6
600.38568	1.4
625.35876	17.0
626.35822	4.0
643.37189	2.5
685.38104	15.2
686.38373	3.7
703.39227	15.3
704.39789	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
60.99314	17.9
61.98837	4.1
69.66283	1.3
70.72141	0.3
71.01386	0.8
87.00888	3.1
88.00410	5.5
88.01234	0.4
88.98816	100.0
89.02453	25.2
89.99152	1.0
91.47203	0.3
101.02426	0.5
116.22320	0.3
125.02447	0.4
145.63959	0.3
165.45749	0.3
235.08173	0.4
238.14430	0.3
277.21628	1.6
288.96341	0.3
397.13489	3.9
415.14636	1.2
550.71259	0.3
698.34796	0.3
728.83856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
60.02216	0.2
60.99310	17.7
61.98830	2.1
71.01389	0.3
71.34628	0.4
87.00886	1.6
88.00407	3.4
88.98810	100.0
89.02444	14.3
89.99165	1.2
90.02795	0.2
96.09870	0.2
101.02487	0.2
147.04147	0.2
196.96439	0.2
212.50690	0.2
277.21677	0.8
397.13376	1.6
398.13611	0.4
415.14575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37772	0.4
57.03438	1.5
58.52681	0.4
59.01373	1.6
61.98839	10.5
69.03455	1.0
71.01391	1.0
83.05062	0.6
85.02962	4.7
86.59495	0.4
88.62689	0.5
88.98806	0.5
95.05060	0.4
97.02963	0.8
97.06588	2.6
108.02196	0.5
121.02931	0.6
125.02446	1.0
125.09734	1.1
127.11278	1.2
134.03792	0.5
137.02444	0.7
137.09715	2.0
146.55716	0.4
150.03233	0.6
151.03957	0.6
155.10818	0.8
155.14450	0.5
161.02415	0.6
165.01936	0.5
167.14423	0.7
171.10287	11.6
172.10583	0.9
177.12886	0.8
183.13890	3.0
185.11813	0.9
193.12370	0.9
209.11852	1.5
211.13414	16.1
212.13712	1.0
221.11818	2.7
229.14458	11.7
230.14810	0.7
239.12906	1.6
289.07181	0.6
291.19827	2.3
301.07364	0.4
309.20728	0.5
313.17404	0.4
327.21786	100.0
328.22107	12.1
685.37476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	8.0
63.96241	2.5
71.01382	6.6
71.63122	3.9
73.02911	2.8
78.95915	3.4
78.98594	7.1
79.95730	13.3
80.96517	81.0
85.02950	3.8
85.47958	2.2
87.00863	2.7
94.98102	16.3
95.86093	2.3
96.87443	1.9
96.95992	6.0
97.02914	3.1
101.02412	3.6
101.70298	2.1
106.98075	4.3
122.97532	3.4
125.02425	4.0
126.19992	2.2
134.97559	5.8
148.99101	6.4
152.57286	2.8
152.98561	6.5
156.16847	2.5
164.98627	14.6
206.99631	3.7
225.00720	21.7
232.10445	2.2
255.23097	4.0
293.17877	4.8
335.36279	2.6
501.58597	2.3
761.41309	100.0
762.41650	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
59.42690	0.3
61.98832	3.3
70.14124	1.0
73.02966	0.3
99.92589	12.3
99.93244	0.6
100.92588	0.5
116.92866	100.0
117.01955	0.5
117.92882	5.4
119.58632	0.3
163.57692	0.3
191.60118	0.3
277.21805	0.3
759.19440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04281	0.3
59.01373	0.6
61.98824	2.4
71.63554	0.5
73.02939	0.8
99.92583	10.8
100.92596	0.8
112.98570	0.3
114.93430	0.5
116.92863	100.0
117.01955	1.3
117.92874	4.6
134.56871	0.3
161.66101	0.3
162.29459	0.3
363.02371	0.3
629.51050	0.3
687.10876	0.4
768.19617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.98837	58.9
63.49442	1.4
65.40352	1.9
71.01392	2.6
71.63197	1.5
83.04974	1.5
88.98782	2.0
99.44136	2.0
105.49366	1.4
109.02971	1.8
121.02940	2.2
128.17802	1.7
137.02483	1.7
163.00418	5.9
165.01917	1.6
176.01225	1.8
211.04021	4.2
215.03545	2.7
217.05000	1.6
241.05043	3.3
255.03163	3.8
256.03757	6.4
257.04477	2.8
267.02972	6.8
283.02502	26.8
284.03070	6.6
285.03922	6.7
291.34766	1.7
299.02042	1.9
301.10645	4.3
311.01910	6.7
311.05261	1.8
312.02777	33.2
313.03583	14.7
331.01511	1.7
450.13190	41.5
451.13910	21.9
452.14328	5.1
516.71667	1.5
613.73029	1.6
684.92078	1.8
759.25067	100.0
760.12317	1.4
760.25281	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	760.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48321	0.2
57.03465	0.3
57.47004	0.2
58.66537	0.2
59.01399	0.8
60.97932	0.2
61.98832	0.3
70.84840	0.2
71.01411	0.5
71.62699	0.3
80.67147	0.2
85.02982	0.2
89.02467	0.4
101.02484	0.7
113.81573	0.2
125.02477	0.9
149.02411	0.2
149.04526	0.2
151.04057	0.3
160.47723	0.2
162.03258	0.7
177.05588	1.9
179.05592	0.2
181.05347	0.8
188.77325	0.2
193.05193	0.3
195.06618	0.6
209.04735	0.4
210.25877	0.2
221.04845	0.3
236.03543	1.9
237.04292	2.3
238.04803	0.3
248.03558	0.3
249.04242	0.3
264.03055	1.6
265.03809	100.0
266.04141	12.2
267.04410	1.4
277.03806	0.6
280.06155	62.7
281.03363	0.5
281.06470	8.3
281.83499	0.2
282.06732	1.0
283.06174	0.2
289.07230	0.5
294.04062	0.4
295.04849	5.8
296.05432	1.5
308.05664	2.2
309.05905	0.3
310.07242	3.8
311.07443	0.4
324.05075	0.5
336.05093	0.6
342.06372	0.5
346.98276	0.2
354.06177	11.1
355.06479	1.9
356.06689	0.4
357.11679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
61.31050	1.1
61.98830	21.5
63.02391	2.4
63.71892	0.9
65.00342	1.5
70.83145	2.6
83.01395	3.0
86.72264	1.0
88.98791	1.7
93.03466	2.8
107.01380	4.6
109.02978	1.3
116.92851	1.4
117.03469	27.9
119.05034	19.8
120.05326	1.2
121.02969	2.4
123.04498	1.7
132.02162	1.4
135.00908	2.4
143.05049	1.8
145.02951	82.1
146.03287	4.6
151.00320	4.8
153.01938	1.6
155.05037	1.6
159.04443	1.4
163.00372	3.8
163.03993	13.5
164.01064	1.3
169.06555	1.3
171.04472	1.6
183.04492	1.4
185.06042	3.6
187.03972	4.6
197.06007	1.1
199.03903	1.1
211.04053	2.8
213.05566	2.1
227.03500	32.0
228.03967	2.4
229.04987	11.6
239.03630	1.1
241.05054	1.5
255.02988	51.1
256.03549	10.2
257.04468	7.0
258.05157	1.6
263.12720	2.8
283.02457	4.5
284.03265	73.6
285.04019	91.6
286.04440	8.1
291.08707	1.8
437.12479	7.2
446.20410	1.1
450.13028	1.2
503.16510	1.2
536.37512	1.0
559.12555	10.2
560.12598	2.6
577.13525	2.4
723.17175	100.0
724.17499	34.3
759.25299	3.8
759.40558	1.3
760.26044	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.3
58.00642	0.7
59.01373	8.2
61.98829	7.1
68.99566	0.7
71.01385	100.0
71.40130	1.3
72.01728	2.1
73.02953	1.7
75.21993	0.7
75.82925	0.6
78.95899	1.6
80.53670	0.6
81.12564	0.7
83.04972	0.8
85.02941	1.0
87.00888	1.3
89.02457	3.5
97.02970	1.3
97.06630	0.8
97.93071	0.8
99.00889	0.7
101.02459	3.7
109.06603	3.3
112.98582	0.8
113.02454	2.1
114.93430	4.5
115.00398	1.5
117.71786	0.7
119.03503	1.3
125.09696	1.7
127.11299	2.3
145.04294	0.7
161.04529	1.5
163.11298	2.7
171.10271	66.8
172.10596	4.2
178.18420	0.8
181.08749	1.0
181.12372	1.4
199.09743	8.2
199.13402	0.9
201.11327	7.4
202.11823	0.7
207.10265	10.5
208.10507	1.1
225.11324	7.5
235.08307	3.1
253.09306	9.9
254.09677	1.0
277.21716	80.3
278.22095	9.5
435.18845	0.8
443.19092	1.2
461.20306	3.1
721.42322	2.5
722.42902	1.4
739.43524	1.3
757.43365	6.9
758.44769	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	758.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86250	0.3
59.01381	0.7
59.37695	0.3
69.42732	1.1
69.43156	1.2
71.01418	0.3
83.01399	0.3
89.02457	0.3
101.02464	0.5
125.02470	0.6
137.02464	0.6
181.05397	0.5
192.04512	0.3
209.04820	0.4
223.13087	0.3
236.03505	1.3
237.04282	1.7
249.04279	0.5
264.02966	1.5
265.03790	100.0
266.04117	10.1
276.62436	0.3
277.03690	0.6
280.06137	69.8
281.03500	0.5
281.06473	7.0
294.03561	0.3
295.04849	6.2
296.05457	1.2
308.05661	2.8
310.07214	4.0
313.11725	0.4
324.05011	0.6
336.04916	0.8
342.05969	0.4
350.84686	0.4
354.06168	15.8
355.06461	1.7
370.94070	0.3
447.13998	0.5
468.35104	0.3
549.17053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09830	0.7
61.98832	8.7
63.02390	1.3
65.00313	1.1
67.84444	0.7
83.01394	1.7
93.03467	2.7
98.20673	1.1
107.01378	3.7
107.76540	0.7
109.02953	1.1
117.03458	19.2
119.04222	1.5
119.05032	16.4
119.05878	1.2
120.05374	1.0
121.02946	1.7
123.04514	0.8
131.05086	0.9
135.00822	0.9
142.32495	0.8
143.04997	1.0
145.02951	64.1
146.03340	4.2
150.13599	0.7
151.00346	5.2
156.05904	0.7
159.04509	4.8
162.03192	1.1
163.00348	3.2
163.04008	17.9
164.04341	1.2
168.94043	0.7
169.06577	1.0
171.04468	0.7
172.05215	0.7
173.06021	0.9
183.04507	1.7
185.06046	3.5
187.04021	13.0
187.90062	0.7
188.04378	1.0
195.04585	1.0
197.06068	1.0
199.03928	0.9
201.05571	1.3
211.03984	2.1
213.05548	2.8
227.03487	11.6
228.03725	0.9
229.05070	10.3
229.08612	0.8
229.25110	0.8
230.05453	0.9
239.03529	2.4
240.04263	1.0
241.05051	1.3
255.03001	23.8
256.03519	3.2
257.04501	6.3
263.28998	0.8
267.02899	1.2
273.07672	3.2
283.02454	4.7
284.03262	26.2
285.04037	100.0
286.04385	10.4
291.08832	1.4
437.12375	28.8
438.12762	4.5
559.12482	2.3
577.13104	4.9
578.14081	1.2
637.31427	0.8
723.17133	46.6
724.17560	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20908	1.1
57.03441	1.8
59.01094	1.7
59.01381	32.5
59.62408	1.3
61.98833	25.6
70.65382	1.5
70.65738	3.4
71.01353	5.1
71.81847	1.1
72.73296	1.1
73.02929	1.7
78.95912	2.8
83.05048	1.4
85.02936	1.3
87.00882	2.7
89.02428	2.1
97.02970	1.6
97.06614	1.3
99.00881	4.1
101.02431	4.3
113.02438	3.1
125.09718	4.8
127.11316	2.4
129.30882	1.3
152.99503	1.4
155.10797	2.0
161.04475	1.6
163.11293	3.8
165.09245	1.2
171.10284	2.1
181.12325	4.9
183.10239	1.1
199.09706	1.2
199.13394	8.9
201.11325	41.4
202.11681	2.0
207.10185	7.3
209.11758	1.1
225.11319	17.0
235.08199	5.2
243.12268	3.0
253.09265	5.8
273.22418	1.4
277.21716	89.8
278.22073	9.0
317.02826	1.1
317.21024	3.4
699.62207	1.2
721.41815	4.7
739.42853	10.4
740.43280	4.7
757.43781	100.0
758.44287	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.3
57.03431	1.5
59.01384	15.2
61.98834	29.2
71.01385	95.2
72.99281	1.3
73.02950	2.9
78.95953	2.4
84.82824	1.1
85.02953	1.6
85.40130	1.3
87.00853	3.0
88.98789	3.9
89.02456	4.5
97.02929	1.9
99.00893	1.6
101.02446	4.3
109.06611	7.8
111.08215	2.0
111.55733	1.3
113.02417	2.5
125.09673	2.8
127.11271	3.7
135.08156	1.7
137.09698	1.5
152.99550	1.4
155.10811	2.3
163.11284	5.6
171.10274	100.0
172.10596	5.5
181.08614	1.5
181.12320	2.8
185.11815	1.3
199.09761	19.4
199.13359	2.5
201.11342	19.3
207.10265	23.0
208.10548	1.6
225.11325	14.8
235.08298	3.0
236.14873	1.5
243.12456	1.6
253.09291	12.2
277.21716	78.0
278.22079	10.5
369.54150	1.3
435.18729	4.2
443.19431	1.5
461.20132	5.8
479.21066	1.6
721.40656	3.0
722.42151	1.9
739.42682	2.4
757.43060	13.5
757.54462	1.7
758.43652	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
57.43579	1.8
59.01379	39.7
61.98835	41.2
70.89797	1.7
71.01371	6.1
71.64304	2.0
73.02922	2.2
78.95896	6.0
82.81883	2.2
83.05033	1.9
85.02956	2.8
89.02432	6.2
99.00880	3.6
101.02421	4.7
116.92909	2.2
121.75317	1.7
123.08234	1.6
125.09699	5.9
126.46236	1.7
127.11254	6.0
137.09695	1.9
149.51604	1.9
151.04050	1.7
155.10736	2.3
163.11319	3.8
165.09195	4.9
171.10254	4.8
181.12305	7.4
197.11639	1.9
199.13425	11.6
201.11325	84.5
202.11624	4.8
207.10304	10.4
211.13437	2.2
213.05650	1.9
217.67397	2.0
223.93030	1.7
225.11320	20.7
243.12398	6.8
253.09283	6.9
277.21732	44.5
278.22046	4.0
292.68854	2.0
293.21231	1.9
295.22778	8.0
317.21240	4.4
385.93149	1.8
437.20151	3.7
460.88876	1.9
461.20285	3.9
521.69995	2.0
739.42688	11.0
740.43463	2.5
757.43744	100.0
758.43964	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74982	0.9
58.89929	1.0
59.01379	10.3
59.97085	1.0
61.98835	14.0
69.03445	0.9
70.86091	2.5
71.01385	68.3
72.01715	1.2
73.02935	2.2
78.95895	1.1
79.27490	1.0
85.02965	2.2
87.00884	2.3
89.02435	1.6
97.02991	1.2
101.02457	3.3
109.06609	3.1
111.62811	0.8
113.02456	2.4
116.92890	0.9
125.09724	1.0
149.49675	1.0
152.99635	1.2
161.04538	2.5
163.11243	2.9
166.63708	0.8
171.10275	40.9
172.10561	1.7
181.08684	1.5
199.09753	7.9
199.13289	1.1
201.11365	6.7
207.10268	10.2
225.11322	7.9
231.26158	1.2
235.08224	4.3
243.12242	1.6
253.09277	9.5
277.21713	100.0
278.22055	10.8
416.78934	1.1
461.20398	1.6
721.41583	3.7
739.42859	1.3
757.43616	7.9
758.44153	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	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50040	7.1
56.99960	8.8
61.98834	100.0
71.63453	9.9
78.95898	27.6
89.71246	8.1
91.52818	8.4
113.70547	7.1
114.70431	7.5
116.92881	9.9
131.96379	9.8
140.50891	7.9
144.67244	7.7
152.99564	11.0
225.11346	8.3
232.83427	8.9
277.21677	12.3
278.22070	9.7
721.75635	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.5
57.03450	0.8
59.01381	8.3
61.98834	12.5
65.79626	0.6
66.74271	0.7
69.61771	2.9
69.62193	1.3
71.01384	100.0
72.01724	1.9
72.99316	1.0
73.02950	2.1
73.50620	0.7
74.60001	0.6
78.95898	1.6
80.18404	0.6
84.82478	0.7
85.02932	1.6
87.00877	1.5
89.02460	2.5
97.02921	1.1
98.19884	1.5
99.00877	1.1
101.02469	3.1
109.06568	4.0
113.02464	1.8
119.03484	1.0
121.94429	0.6
125.09707	2.9
125.27451	0.6
127.11266	3.2
135.08142	1.3
152.99539	0.9
155.10745	1.0
161.04639	1.0
163.11292	2.4
171.10269	96.2
172.10640	5.5
181.12352	1.2
199.09760	11.1
199.13203	1.6
201.11307	12.6
207.10252	15.6
208.10521	1.5
215.12822	1.6
225.11313	10.3
235.08260	1.6
235.17018	0.8
243.12369	1.5
253.09283	9.8
277.21710	65.1
278.22046	7.8
435.18494	1.9
461.20309	4.3
471.77908	0.7
646.67688	0.6
721.41937	2.5
722.42169	1.1
757.43542	7.6
758.43646	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	756.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
61.98836	100.0
66.84872	0.3
68.44230	0.3
69.36068	0.3
70.99007	0.3
71.01395	0.4
73.42805	0.3
74.78915	0.3
87.52941	0.3
95.24894	0.3
96.20890	0.3
101.02508	0.3
116.92856	0.4
195.80875	0.3
206.76878	0.3
209.11864	1.4
210.12154	0.4
229.16920	0.5
309.20889	0.6
411.45261	0.3
745.38251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20428	0.5
57.03447	8.2
59.01371	1.6
69.03462	2.0
71.01384	1.2
71.61460	0.5
76.50346	0.6
81.03462	2.6
81.23720	0.6
83.01391	8.6
89.02481	1.5
93.03481	3.6
95.01389	2.1
95.05033	1.6
97.02957	2.7
101.02446	0.9
105.55103	0.6
109.02962	15.8
110.03306	0.7
111.04524	2.8
113.02433	0.9
121.02945	2.7
122.03786	0.7
122.11053	0.6
123.00896	3.4
123.04530	6.6
124.01665	2.5
125.02448	87.1
126.02787	2.7
131.05019	0.7
135.04497	1.3
137.02448	100.0
138.02731	4.1
139.03009	1.2
139.04022	13.4
140.04338	0.8
145.02972	3.8
147.04521	1.0
149.02423	4.3
149.06076	1.1
150.03214	5.1
151.02831	1.2
151.04004	17.4
152.04364	1.0
155.03477	0.5
159.04512	1.9
161.02451	3.1
161.04527	0.6
161.06073	1.2
163.04007	1.6
164.01151	4.5
165.01927	14.2
166.02696	4.3
166.13638	0.6
167.03494	14.6
168.03804	1.0
175.03999	2.4
176.04666	0.8
177.01930	2.1
177.05573	3.6
178.02641	0.8
179.03510	11.8
180.03862	1.1
185.06042	0.8
186.41795	0.6
187.03978	0.9
189.05521	0.7
191.07173	1.2
193.05042	0.8
201.05606	1.1
203.03526	1.8
203.07121	0.9
204.04259	2.2
205.04939	0.6
217.04980	0.7
219.06641	10.3
220.06958	0.8
221.04559	5.0
227.07352	0.7
237.07808	0.7
245.08287	0.9
261.07684	3.1
271.06116	7.5
272.06598	0.7
273.77094	0.5
275.05505	0.5
289.07300	3.7
290.07715	0.9
304.05441	0.7
305.06659	84.8
306.07016	8.1
313.09326	1.0
329.08713	1.1
451.12445	56.0
452.12759	9.0
577.06592	0.6
650.46680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	8.1
58.87363	1.5
69.03455	2.1
70.15932	1.5
81.03451	3.6
82.55581	1.4
83.01370	4.5
93.03458	2.9
95.01392	2.0
97.02959	3.0
107.05007	2.1
109.02958	29.1
110.03281	1.6
111.04493	3.6
121.02951	4.0
123.00869	6.3
123.04491	3.9
124.01656	3.6
125.02456	80.0
126.02735	3.2
133.02960	2.3
135.04492	2.6
137.02435	27.3
138.03226	2.4
139.04012	19.6
145.02954	2.9
149.02406	4.3
151.04012	8.8
157.02849	1.4
158.03581	1.7
159.04518	7.4
160.01613	3.2
161.02455	10.4
162.03203	1.7
163.00375	3.4
163.03995	4.7
164.01096	7.6
165.01923	18.3
166.02635	1.8
167.03503	15.1
173.06058	4.3
174.03207	1.4
175.04051	13.0
177.01921	23.7
177.05548	6.0
178.02487	1.4
179.03535	12.3
179.92441	1.8
183.04506	4.7
185.02399	6.2
187.03996	8.7
189.01997	2.7
189.05621	1.8
193.05037	1.7
197.05994	2.8
197.97046	1.4
199.03967	4.0
201.01921	1.5
201.05598	8.7
203.03470	6.1
204.04286	2.0
211.03992	3.0
213.05511	2.5
215.03433	3.7
217.05049	4.5
219.06538	7.7
221.04498	6.0
224.04808	1.5
225.05551	16.1
227.03482	5.8
229.04997	6.1
231.02962	2.0
231.06467	1.7
241.05019	4.3
243.02989	8.4
243.06686	2.2
245.04555	28.7
246.05000	1.8
251.03554	2.0
253.05070	3.4
255.02988	27.2
256.03674	10.8
257.04514	4.9
258.04977	1.7
261.07736	3.4
265.05115	1.6
267.02966	3.3
269.04541	78.6
270.04980	9.0
271.06186	8.2
273.04089	7.7
281.04468	4.2
282.01639	3.8
283.02551	16.5
285.04092	7.7
287.05777	1.6
288.02692	2.2
297.04001	8.9
298.04538	2.0
305.06668	93.6
306.07190	7.7
311.05438	2.3
347.07736	4.9
355.08148	2.1
397.09039	3.3
423.07199	100.0
424.07614	14.4
435.06924	2.3
441.08218	11.4
442.08661	2.4
449.02155	2.2
449.09222	19.1
450.09277	3.1
467.09857	11.4
509.12836	3.6
531.13159	2.1
557.10614	8.9
575.12036	8.0
578.94867	1.8
587.14008	8.6
588.14563	1.7
629.14862	3.9
755.18457	21.8
756.18158	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	754.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98834	100.0
62.98547	0.2
69.89352	0.3
69.89754	0.3
76.63823	0.1
88.57703	0.1
89.02439	0.2
91.53265	0.1
94.87992	0.1
98.20652	0.1
129.18022	0.1
133.02968	0.2
135.04561	0.2
137.02539	0.2
161.02440	0.3
179.03499	0.2
209.11925	0.2
271.02487	0.1
285.04047	0.2
310.45859	0.2
438.97690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1615
Annotation	Quercetin 3-(3'',6''-di-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.03450	1.7
59.01376	2.9
61.98833	100.0
63.02404	1.9
63.99247	1.4
64.36390	1.0
64.90894	1.0
65.00340	5.8
71.01392	1.5
78.95897	1.5
83.01398	3.5
88.98817	1.2
93.03485	2.3
107.01395	8.9
108.02214	1.6
109.02962	4.4
111.00910	1.3
116.92844	1.1
117.03468	11.6
119.04281	1.1
119.05058	4.5
121.02940	5.8
125.02454	3.7
133.02962	16.7
134.03798	1.4
135.04532	22.2
137.02463	4.7
145.02966	5.5
147.04420	1.4
149.02509	1.7
151.00378	30.3
152.00810	1.2
159.04500	1.9
161.02443	40.3
162.02759	1.3
163.00398	6.0
163.03984	3.6
164.01097	2.5
165.02022	2.4
165.50009	0.9
169.01437	2.7
175.04005	3.6
178.02679	1.7
178.99879	18.2
179.03474	19.3
187.04050	1.6
192.00420	1.2
199.03932	1.1
203.03487	4.6
209.11870	2.3
211.03990	1.7
217.05011	1.2
227.03526	5.8
229.05069	4.7
243.02992	3.4
245.04544	1.9
251.16429	1.2
255.03017	16.5
256.03381	1.4
257.04559	2.8
267.23975	1.1
271.02515	14.7
272.02927	1.5
273.03995	3.0
283.02313	2.4
284.03244	8.5
285.04062	26.7
289.07208	2.9
299.01993	4.0
300.02762	16.7
301.03543	84.1
302.03833	6.4
307.08194	4.3
317.03024	14.2
341.06854	2.3
431.09857	8.3
432.10138	1.6
447.09326	1.9
453.11749	2.3
469.11356	3.6
503.75827	1.2
593.12988	25.4
594.13141	5.5
609.12378	6.1
610.13171	1.6
755.16205	23.4
755.30273	2.0
755.35284	1.1
756.16650	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.3
59.01379	1.2
69.03465	0.7
69.36183	3.8
71.01379	1.1
73.02926	0.5
80.94456	0.4
81.03466	2.8
83.01377	2.5
85.02978	0.8
89.02465	0.5
93.03455	1.7
95.01409	0.8
95.05027	3.0
97.02961	5.1
101.02445	0.9
105.03483	0.4
107.05049	0.4
108.02170	0.9
109.02962	22.8
109.48782	0.4
109.69522	0.3
110.03335	0.6
113.02470	0.4
121.02968	3.2
122.03725	1.1
123.00962	0.4
123.04533	14.6
124.04856	0.9
125.02456	16.3
126.02820	0.7
133.02971	0.7
135.04495	1.7
137.02455	9.7
138.03256	0.9
139.04015	3.1
145.02977	1.0
146.03734	1.2
147.04561	0.7
149.02460	4.0
150.03183	1.2
151.04021	8.2
159.04492	2.2
160.05284	1.4
161.02441	2.3
161.06100	5.1
162.03203	1.3
162.06573	0.4
163.03975	1.0
164.01138	3.4
165.01942	4.3
166.02690	0.6
167.03516	1.9
173.06097	0.7
174.03122	0.6
175.03976	2.2
175.07660	2.3
177.01953	1.1
177.05498	0.5
179.03513	6.1
180.03894	0.5
185.06058	1.1
187.04018	5.4
188.04796	4.0
199.07625	0.6
201.05637	0.8
202.06358	1.9
203.07161	12.3
204.07530	1.2
205.05066	7.7
206.05441	0.6
212.04703	0.9
217.05046	0.5
217.08667	0.4
219.07294	0.4
221.08214	3.0
227.07114	2.3
230.05788	1.0
231.02916	0.7
243.02940	1.0
244.03413	0.6
245.08202	16.6
246.08534	1.4
247.06201	0.9
269.04358	0.4
271.06339	0.9
287.09348	0.6
289.07196	100.0
290.07565	8.1
420.15277	0.4
423.58850	0.4
439.10474	0.5
449.12241	1.2
463.21915	3.4
505.25421	0.4
531.70496	0.4
573.17920	0.5
601.11121	1.4
753.24878	2.5
754.24390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.2
71.62440	0.3
72.34583	0.2
74.43294	0.2
97.02969	0.3
98.68423	0.2
100.55410	0.2
102.49404	0.2
107.55537	0.2
109.02969	0.6
120.01266	0.3
125.02460	0.6
137.02472	0.5
139.04063	0.2
149.02477	0.3
151.04019	0.3
161.02393	0.3
178.06717	0.2
179.03477	0.3
192.04541	0.4
194.06059	2.3
203.07167	0.3
205.05173	0.7
206.06068	0.4
220.04033	0.8
221.04784	1.6
222.05595	4.7
234.05569	1.2
234.17004	0.2
238.05054	0.7
241.79959	0.2
245.08105	0.4
248.03502	3.9
249.04303	8.1
250.05070	37.3
251.05411	3.2
266.04492	0.9
276.03021	2.7
277.03299	0.3
278.04565	100.0
279.04904	10.6
280.82910	0.2
281.04468	0.8
289.07187	2.6
290.07401	0.6
293.03287	2.2
294.03943	1.2
306.04126	0.7
308.05582	3.1
309.05920	0.4
309.64960	0.2
314.73410	0.2
352.04642	9.5
353.05014	1.1
552.21991	0.2
754.23999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
59.45139	0.1
61.98833	100.0
62.98531	0.3
69.70482	0.9
71.01387	0.2
88.98810	0.2
89.92989	0.1
90.30286	0.1
100.69286	0.1
101.02531	0.1
116.92890	0.2
119.05039	0.2
121.02901	0.2
149.02443	0.1
179.08157	0.1
200.67801	0.1
210.40022	0.1
223.13451	0.1
227.03429	0.2
284.03406	0.1
285.04095	0.9
301.03757	0.2
378.79694	0.1
395.44357	0.1
423.54541	0.2
593.13763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.0
60.13392	1.6
61.98831	100.0
63.02388	1.5
71.01397	2.8
71.31895	1.3
71.63261	2.6
71.63670	2.1
78.32489	1.3
83.01388	2.2
89.02477	1.9
93.03426	2.1
107.01394	5.9
117.03469	34.4
118.03850	1.3
119.05027	29.6
121.02983	3.3
123.04558	3.0
125.02417	1.9
132.02240	2.8
134.03770	1.7
145.02963	86.2
146.03304	5.8
146.86238	1.8
149.02492	1.9
150.49405	1.7
151.00352	9.4
152.47142	1.4
159.04503	3.0
160.01654	4.5
161.02376	2.3
162.03191	1.9
163.04016	21.7
171.04501	1.7
175.04036	3.3
183.04500	2.0
183.81885	1.5
185.06123	1.8
187.04015	3.9
193.05090	1.7
199.03954	4.3
205.99179	1.6
207.10281	3.3
209.11765	2.9
211.03940	2.4
215.03426	2.7
227.03528	12.2
229.05083	1.8
242.02129	1.7
243.02942	17.9
244.03520	2.7
255.02991	27.6
256.03525	4.7
257.04471	5.1
271.02478	35.2
272.03149	4.1
273.07687	3.3
284.03287	14.3
285.04007	22.6
286.04568	3.4
287.05499	1.9
291.08795	2.0
295.22803	5.2
299.01971	42.4
299.05243	1.8
300.02710	49.2
301.03070	3.2
309.21225	1.7
313.03470	3.6
314.04309	31.6
314.07895	2.9
315.05090	84.2
316.05469	6.6
419.11618	1.9
437.12302	16.6
438.13058	2.5
466.08737	1.6
473.55115	2.1
513.61481	1.8
559.12524	2.9
584.38947	1.7
589.13531	20.6
590.13776	4.8
607.14154	8.1
623.88385	1.7
753.18329	66.2
754.18622	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	753.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01376	1.5
69.03461	0.4
71.01374	1.6
71.64143	0.4
81.03458	0.7
83.01408	1.9
85.02941	0.5
89.02451	0.6
93.03453	0.5
95.01383	0.7
95.05016	0.8
97.02959	2.1
101.02438	1.2
108.02176	1.4
109.02956	6.9
113.02468	0.5
113.18906	0.4
120.01269	1.1
121.02962	1.9
122.03758	1.0
123.04543	5.0
124.01649	0.5
125.02449	5.2
133.02940	0.8
134.03770	0.6
135.04504	1.2
137.02452	6.0
139.04008	1.5
145.02933	0.5
146.03734	0.5
147.04517	0.5
149.02480	1.8
151.04013	2.9
159.04518	0.7
160.05360	0.4
161.02435	3.1
161.06076	2.3
162.03166	1.1
163.00323	0.6
163.03995	1.1
164.01167	1.9
165.01962	3.1
167.03534	0.9
173.06071	0.6
175.04007	1.5
175.07619	0.7
176.04912	0.5
177.01973	0.9
177.05624	0.8
179.03456	2.4
185.06087	0.8
187.03981	1.8
188.04703	1.1
192.04492	0.5
194.06039	1.9
199.03966	0.4
201.05595	0.9
202.06371	0.7
203.03555	0.6
203.07155	5.5
204.07764	0.7
205.05115	4.4
206.06059	0.4
214.98526	0.4
217.05263	0.4
220.04095	0.9
221.04791	1.6
221.08160	0.9
222.05608	4.2
225.05608	0.4
227.07127	0.9
228.07994	0.6
230.05817	0.4
231.03004	0.5
234.05554	1.0
236.03598	0.5
237.26796	0.4
243.03012	0.5
245.08209	5.5
246.08569	0.6
247.06073	0.5
248.03566	4.4
249.04279	6.8
250.05099	36.3
259.06195	0.6
262.01181	0.4
266.04510	0.4
267.06696	0.5
271.05994	0.5
276.02954	2.4
278.04581	100.0
281.04565	0.9
287.09247	3.9
289.07184	34.2
290.07538	2.7
293.03229	2.9
294.04141	1.0
294.20862	0.4
306.04050	0.8
308.05600	3.2
326.07971	1.0
352.04639	9.9
449.12491	5.7
450.12766	0.8
573.17651	5.3
574.17981	0.9
706.69513	0.4
753.24091	11.2
753.37122	0.8
754.24481	3.3
775.23364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73131	0.5
59.01376	0.5
60.27552	0.4
61.98831	4.0
63.02393	1.1
63.38134	0.4
65.00334	1.2
70.75369	0.5
70.75698	0.8
83.01392	1.3
83.94002	0.4
85.02966	0.6
93.03474	0.6
107.01377	2.9
108.02181	0.9
117.03465	25.7
118.03777	0.8
119.05025	21.1
120.05330	0.7
121.02146	0.4
121.02927	2.1
122.65868	0.4
123.00961	0.4
123.04517	0.8
124.01649	0.6
127.04055	0.6
130.04341	0.3
131.05016	0.6
135.00870	0.5
145.02950	76.8
146.03282	4.8
148.01666	1.4
149.99568	0.6
151.00375	7.4
155.05046	0.4
158.03687	1.3
159.04506	4.3
161.06062	1.3
162.03178	2.4
163.00383	1.3
163.04010	24.8
164.01141	1.2
164.04321	1.1
167.03438	0.4
169.01398	0.9
171.04385	0.6
183.04453	0.5
185.06042	0.6
187.03998	14.5
188.04346	1.0
198.03011	0.5
199.04002	2.7
200.04561	0.7
201.01949	0.7
201.05498	0.6
203.03394	0.5
205.05110	0.4
209.11818	0.5
211.03978	0.5
211.07707	0.7
214.02917	0.5
215.03450	1.5
216.04247	1.2
219.06514	0.7
226.02634	0.8
227.03502	3.3
228.04012	0.9
229.08650	1.0
231.06598	1.6
242.02170	3.5
243.02960	12.0
244.03571	2.1
245.00771	0.5
254.02213	1.2
255.02985	12.1
255.05708	0.7
256.03568	1.8
257.04572	1.0
259.06137	0.9
270.01709	2.9
271.02472	28.5
272.03061	5.2
273.07703	6.3
274.07959	0.6
283.02521	0.6
284.03445	0.4
285.03903	2.4
286.04468	0.7
287.05521	1.7
291.08740	3.3
292.09106	0.5
298.01233	0.6
299.01962	15.9
300.02734	43.4
301.03119	4.2
313.03476	4.3
314.04303	13.6
315.05090	100.0
316.05396	9.4
375.12424	0.4
419.11401	1.0
425.08517	0.4
437.12411	33.9
438.12796	5.2
443.09702	0.9
589.13397	3.8
590.13513	0.8
607.14459	6.5
608.15100	1.0
624.61212	0.4
753.18182	13.0
754.18134	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	752.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01383	14.4
61.98833	100.0
71.01387	2.7
71.12363	0.6
71.12688	0.5
73.02953	0.5
83.01411	0.5
83.05045	2.1
85.02964	1.1
89.02470	0.7
95.01420	0.4
99.04556	0.5
101.02458	1.3
111.04529	1.6
113.02472	1.0
125.02465	0.8
127.04036	2.6
129.05594	2.6
137.02480	0.7
151.04008	0.5
165.01958	0.6
165.05638	0.5
193.72240	0.4
226.07697	0.4
267.15930	0.5
499.32706	0.7
525.25543	0.4
559.35107	0.4
585.40131	3.0
586.40485	0.5
611.38031	6.1
611.46906	0.6
612.38672	1.4
627.40875	0.7
629.38977	1.0
645.42126	0.5
671.29193	0.3
671.40039	8.3
671.50757	0.7
672.40875	2.4
689.41296	6.8
690.41925	2.0
753.35107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.3
63.02400	2.3
65.00313	1.4
69.86422	6.7
75.04314	1.0
93.03442	4.0
102.72363	1.0
107.01389	5.9
117.03468	32.0
119.05025	21.9
120.05383	1.3
121.02950	3.0
131.05138	1.2
132.02202	4.6
133.02956	2.4
134.03770	7.7
135.00873	2.1
135.04532	1.3
137.02475	1.2
143.05020	2.3
145.02954	92.0
146.03288	4.5
151.00388	9.3
157.06581	1.5
158.03700	1.1
159.04518	4.8
160.01639	11.3
161.02409	2.1
161.06113	1.1
162.03192	2.3
163.00427	2.1
163.04010	25.1
167.03448	1.1
169.06561	1.2
171.04576	1.3
175.04005	12.7
179.03534	1.6
185.06035	3.3
187.03989	14.4
193.05009	8.0
201.05582	1.7
202.02660	3.0
211.04010	3.2
213.05505	2.5
216.04370	1.7
217.05003	8.2
227.03511	18.7
228.04056	1.8
229.05003	9.7
231.06697	2.1
239.03568	1.2
242.02089	1.3
243.03120	5.6
244.03447	1.5
255.02972	40.9
256.03534	5.4
257.04492	6.2
271.02496	18.0
272.02911	2.6
273.07697	5.0
283.02512	9.6
284.03268	31.3
285.04028	100.0
286.04327	7.2
291.08609	3.4
299.01959	9.2
299.05270	1.9
300.02737	35.2
301.03094	3.7
303.08981	1.4
313.03555	2.1
314.04364	8.0
315.05112	64.2
316.05420	5.0
361.33817	1.1
413.08997	1.3
437.12369	23.3
438.12659	3.9
453.11887	1.8
467.13397	20.9
468.13766	3.8
559.12378	4.8
577.13483	5.2
589.13391	3.7
590.14075	1.3
607.14667	5.3
608.15289	1.6
631.16028	1.2
753.18286	28.4
754.19122	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	751.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	2.4
59.01381	24.7
61.98837	100.0
69.87988	13.9
71.01395	16.1
72.76070	2.5
83.01402	3.0
85.02988	5.9
87.00876	7.2
89.02448	16.0
94.12642	2.6
97.02966	4.0
101.02440	14.7
109.02936	3.4
111.61665	2.5
113.02456	9.6
116.16283	2.3
116.92832	3.9
119.03496	4.8
121.02971	2.8
125.02442	14.4
136.53015	2.6
143.03516	2.9
156.37563	2.4
161.04646	4.8
179.05606	2.5
211.78348	2.8
235.08397	4.1
235.17084	10.0
242.32288	2.5
251.16624	3.1
253.09288	3.6
275.20163	9.2
289.07300	3.6
290.60291	2.9
293.21222	41.8
294.21622	4.3
305.08917	3.5
397.13568	50.4
398.13760	3.9
402.14255	2.8
415.14645	28.1
519.41278	2.9
534.64728	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	752.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.3
61.98834	100.0
68.99547	0.5
69.33271	5.2
70.73647	0.5
71.01373	2.8
73.02959	0.8
75.67702	0.5
83.01411	0.8
83.05031	2.6
85.02962	1.4
89.02446	0.8
98.19900	1.2
99.04568	0.7
101.02462	1.9
111.04543	2.3
113.02449	1.3
125.02483	2.0
127.04027	3.8
129.05583	2.3
141.09193	0.9
152.04733	0.7
161.02527	0.9
161.04695	0.6
161.69231	0.5
209.11955	0.8
235.21562	0.6
247.13464	1.3
261.85898	0.5
281.89505	0.5
289.18167	0.5
301.06870	0.5
317.08157	0.5
499.33072	0.9
559.34833	0.8
585.39984	4.9
586.40125	0.8
611.38000	9.9
612.38782	1.8
629.38818	0.6
671.40045	12.0
672.40240	2.9
689.41162	9.7
690.41943	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	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01342	0.2
59.01390	1.7
60.00954	0.2
60.63621	0.3
61.98838	4.3
69.65710	1.4
71.01386	1.3
72.99317	3.6
75.00880	100.0
76.01205	1.2
83.05027	0.2
85.02943	0.5
88.98818	0.6
89.02444	1.3
98.20689	0.4
101.02453	1.2
104.67130	0.2
113.02467	0.7
119.03497	0.5
125.02417	0.6
143.03514	0.5
161.04601	0.4
179.05667	0.4
197.11942	0.3
235.08302	1.0
251.41576	0.3
258.88156	0.2
263.45261	0.3
277.21747	3.8
278.22037	0.3
287.07620	0.3
293.21426	0.3
305.08878	0.4
394.87708	0.3
397.13519	8.4
398.13953	0.8
415.14542	2.4
685.74005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85332	2.0
57.03445	2.4
58.00585	2.1
59.01381	40.9
61.98835	95.5
69.03449	3.4
69.32417	20.6
71.01383	31.2
71.05006	2.3
72.99306	4.0
73.02942	6.8
74.64104	2.0
83.01388	3.7
85.02959	8.8
87.00883	7.1
89.02444	27.3
93.03444	3.5
95.01379	3.1
97.02953	5.2
98.19881	3.3
101.02446	25.3
102.89562	2.2
108.21186	2.4
109.02991	2.3
113.02448	13.2
113.09716	2.5
116.25919	2.1
119.03492	7.6
123.04507	3.0
125.02446	13.0
143.03552	3.9
161.04567	6.5
179.05571	5.7
192.56526	2.1
211.13319	3.8
221.06583	2.2
235.08182	8.4
235.17101	14.1
236.17252	2.6
237.15135	2.3
253.09267	4.6
275.20129	16.8
289.06989	4.8
293.21243	100.0
294.21704	10.9
305.08542	3.7
370.40237	2.3
397.13498	99.0
398.14050	13.3
415.14584	40.0
416.15091	4.4
691.34973	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	751.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59671	0.2
57.03434	0.8
58.63266	0.2
59.01382	0.4
61.98806	0.2
63.63428	0.2
65.03944	0.4
69.28603	2.1
71.01394	1.7
73.02943	0.4
79.15071	0.2
83.00955	0.2
83.01368	1.0
85.02967	1.0
89.02428	0.2
93.03460	45.2
94.03785	1.5
101.02441	0.9
109.02934	0.7
113.02451	0.5
123.04525	0.8
125.02444	4.8
135.03030	0.3
137.02446	100.0
138.02786	4.3
145.02866	0.4
149.02423	0.6
150.03194	0.7
151.04015	2.2
159.04607	0.2
161.02390	0.3
161.04575	0.3
163.00386	0.6
165.01964	0.4
175.04022	0.3
199.03897	0.2
205.05089	0.3
243.02934	0.4
245.08385	0.3
267.03101	0.3
269.04651	0.3
271.06161	0.9
289.07175	1.5
299.07721	16.3
299.15045	0.9
300.08136	1.0
305.06689	0.2
349.03088	0.2
382.63776	0.2
419.07672	0.3
451.12485	5.6
451.18768	0.4
452.12857	0.9
463.06949	0.5
465.07773	0.3
599.10791	0.3
615.11737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
59.39744	0.2
61.98833	4.3
71.01380	1.2
71.62957	0.2
72.91827	0.2
72.99314	2.8
75.00876	100.0
76.01203	1.3
87.00892	0.4
89.02458	1.0
101.02446	1.0
104.96331	0.2
113.02467	0.5
120.42618	0.2
125.02478	0.5
143.03535	0.3
161.04579	0.3
179.05589	0.4
189.38547	0.2
235.08240	0.5
277.21710	3.4
278.22034	0.4
287.07785	0.2
289.74344	0.2
295.02975	0.2
305.08853	0.3
356.76505	0.2
397.13507	6.0
398.13785	0.4
398.24585	0.2
415.14590	2.0
416.14896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.3
59.01387	4.4
61.98829	4.8
64.27531	2.5
71.01388	2.7
72.99303	3.6
75.00879	14.4
81.03468	2.8
83.01408	7.0
87.67529	2.3
88.42688	2.2
89.02457	3.6
95.01384	6.4
95.05010	3.2
97.02965	5.6
107.88329	2.1
108.02195	3.1
109.02952	23.8
112.00156	2.5
119.07195	2.4
121.02959	6.8
121.77075	2.3
122.03717	2.9
123.04505	16.7
125.02456	66.9
133.02975	4.2
135.00916	10.0
135.02994	17.4
135.04506	3.2
137.02448	40.5
139.04047	4.6
145.03009	2.8
147.04535	3.6
149.02397	11.0
150.03264	3.0
151.00317	5.7
151.04012	10.7
153.01880	3.2
159.04520	3.8
161.02460	31.4
161.06053	3.7
162.03070	2.7
163.00378	81.6
163.04007	5.0
164.01149	15.4
165.01929	31.6
173.02332	2.9
174.03247	3.4
175.04027	10.2
176.01260	11.6
177.01968	22.0
177.05547	2.8
179.03493	4.8
181.01381	3.4
187.03995	9.0
188.01213	5.2
189.01929	13.6
191.03453	5.3
192.00668	3.5
193.01399	4.3
197.05962	3.6
199.03998	6.9
200.04866	3.0
201.01901	3.1
201.05644	3.5
202.99881	6.2
203.03699	2.5
203.07129	10.6
204.00613	3.5
205.01366	7.0
205.05000	7.0
209.00894	7.6
213.01945	5.9
215.03490	6.9
216.00665	4.5
217.01476	5.1
219.02893	4.9
221.01051	4.2
225.05573	7.7
226.02763	4.3
227.03436	5.9
229.05075	5.3
231.02864	4.5
239.03442	12.9
240.04108	3.6
241.05070	7.8
242.05745	6.0
243.02983	12.2
245.04390	3.2
245.08221	13.2
246.88647	3.3
252.04192	2.8
253.05132	6.8
255.02985	20.9
256.03598	3.2
257.04565	15.7
267.02948	20.0
268.03757	7.4
269.04550	29.9
270.05331	13.3
271.05853	2.7
273.04037	4.5
281.04575	9.7
283.02435	29.8
284.03052	6.4
285.04083	5.2
287.05701	10.6
289.07193	49.0
290.07565	6.2
294.01709	11.0
295.02454	15.0
295.05984	2.8
296.03156	6.1
297.04022	16.4
299.05554	12.9
299.14902	5.3
302.04379	6.7
311.01898	9.6
312.02747	12.4
313.03506	14.4
325.03519	21.4
326.03915	3.7
327.04944	7.7
341.02930	4.6
401.05255	4.9
402.07260	2.8
407.07706	32.9
419.07718	23.4
420.08176	4.6
421.09375	24.9
425.08835	33.3
426.09238	5.6
427.04080	3.9
445.05707	24.5
446.06265	5.8
447.07242	18.9
448.07663	4.9
449.08624	4.8
451.10098	17.4
463.06702	100.0
464.07178	21.5
465.08252	33.1
466.08554	7.1
473.06171	3.0
492.06827	10.1
493.07629	8.9
577.13544	17.0
581.08649	3.0
597.10858	3.4
599.10651	3.7
611.20880	3.0
615.11591	40.8
616.12048	11.6
733.14032	8.2
751.15051	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	751.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73652	2.2
57.03438	3.6
59.01367	8.0
61.88528	2.1
61.98825	4.0
63.77733	2.1
65.00294	2.1
71.01376	6.0
71.61948	2.3
72.99305	3.9
74.39397	1.7
75.00871	22.5
78.09585	2.0
81.03455	3.2
83.01386	6.8
89.02437	6.2
92.58743	1.8
93.03512	2.1
95.01380	3.3
95.05064	2.7
101.02430	3.6
109.02959	19.3
113.02426	2.9
116.18160	2.2
121.02964	7.4
123.04510	14.1
125.02449	27.5
133.02937	4.9
135.00911	5.3
135.03015	20.9
135.04532	2.6
137.02434	32.8
138.02693	2.7
139.04005	5.1
140.65892	2.0
146.03661	2.5
149.02505	9.4
150.03214	5.5
151.00333	5.5
151.03951	11.3
153.01942	10.5
159.04530	2.2
161.02446	23.1
161.06091	3.2
162.03175	3.0
163.00369	59.1
163.04004	3.2
164.01067	8.8
165.01941	18.2
165.05563	7.4
169.06531	2.6
173.02475	2.4
173.06010	3.4
175.03979	7.2
176.01080	10.8
177.01941	11.8
179.03481	4.8
181.01215	2.1
181.06548	3.3
182.14891	2.1
183.04526	4.2
187.03975	8.7
188.01181	5.1
188.04739	2.1
189.01982	12.6
191.03520	4.0
193.01294	2.9
195.04558	2.7
197.06056	5.6
198.24727	2.2
199.03990	6.5
201.05444	3.7
202.99899	8.2
203.03450	2.8
203.07141	6.2
204.00571	3.3
205.01382	5.6
205.05058	5.5
209.00923	8.3
211.03949	5.7
212.04579	2.3
213.01974	3.7
213.05571	7.3
215.03479	12.6
215.07091	4.4
216.00601	2.3
217.01447	8.2
219.02852	2.8
223.04010	2.5
225.05531	10.7
226.02782	3.2
227.03557	7.6
227.07146	3.2
228.04128	3.1
229.05025	3.3
237.05421	2.1
239.03520	14.3
240.04140	4.6
241.05066	13.8
242.05750	6.1
243.02913	15.7
243.06685	4.1
245.08188	5.3
250.33488	2.3
253.05066	6.9
255.03104	15.0
256.03558	4.4
257.04526	14.4
266.02347	2.4
266.05344	3.0
267.03012	27.6
268.03592	11.4
269.04498	46.3
270.05313	19.7
271.02463	3.3
271.05939	4.6
279.03043	2.5
281.04706	21.8
283.02499	30.1
283.05521	4.0
284.02951	4.9
285.03915	4.7
289.07175	22.2
294.01630	7.7
295.02469	18.5
296.03162	10.1
297.04050	23.2
298.04669	3.8
299.05557	12.2
302.04340	5.8
309.04196	3.5
311.02017	9.6
311.05264	3.5
312.02734	11.9
313.03543	17.3
323.01819	3.1
325.03476	16.4
326.03674	2.3
327.05075	8.7
327.10828	2.5
329.02957	2.3
341.02841	5.7
403.08405	3.0
407.07852	10.3
419.07706	33.3
420.08112	6.3
421.09259	40.1
422.09552	8.6
445.05670	21.1
446.06125	7.9
447.07101	33.7
448.07816	12.2
449.08688	9.8
451.10431	4.0
463.06683	100.0
464.07190	31.5
465.08228	72.0
466.08414	14.1
492.07211	14.0
493.08041	15.2
578.84137	2.2
597.10242	4.7
615.11365	73.6
616.11731	16.4
751.15924	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	750.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01383	25.3
61.98834	100.0
63.68870	0.4
70.05780	1.4
70.97762	0.4
71.01389	5.0
72.99328	0.4
73.02958	1.1
83.01382	1.1
83.05022	4.1
85.02953	2.6
89.02460	1.3
93.63367	0.5
99.04530	0.8
101.02468	2.7
101.06067	0.6
102.71269	0.5
111.04503	2.8
113.02454	1.7
125.02451	0.5
127.04031	5.3
129.05577	4.8
135.29056	0.4
141.09235	1.3
141.50793	0.4
249.15128	0.5
293.21408	0.8
421.33035	0.6
446.99371	0.4
487.91635	0.4
497.31079	1.0
531.35852	0.7
557.33423	1.2
583.38611	7.4
584.39026	1.8
609.36530	13.0
609.46362	0.6
610.36536	2.9
625.39874	1.7
627.37793	1.3
628.37939	0.7
659.73389	0.5
669.38525	15.4
670.38806	3.4
687.39563	14.8
688.40002	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	751.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13287	1.7
54.81713	1.8
56.74289	1.8
57.03447	8.5
59.01381	4.6
61.98819	4.8
71.01379	3.3
71.61941	2.5
75.00872	7.0
83.01409	3.3
85.02929	2.7
89.02448	2.6
93.03490	2.5
107.01322	3.0
108.02191	2.6
109.02959	15.1
111.00832	2.6
121.01066	1.9
121.02946	6.4
123.04503	13.6
125.02451	72.8
132.02162	2.9
133.02940	6.1
135.00894	1.9
135.03003	8.7
135.04518	3.4
137.02437	8.5
139.04016	3.1
148.01646	6.6
149.02449	17.5
150.03168	3.1
151.00383	6.4
151.03992	10.9
160.01660	6.4
161.02444	31.8
163.00404	12.7
163.03958	2.3
164.01143	6.4
165.01939	32.4
175.03928	4.0
176.01135	22.9
177.01936	38.4
178.02350	2.6
183.04520	2.8
187.03963	4.1
189.01869	4.3
190.02692	2.6
191.03430	2.3
193.01448	3.5
199.04050	16.5
200.04324	2.1
201.02008	3.1
201.05467	2.2
202.99806	3.1
203.03484	4.2
203.07141	2.2
204.00636	3.6
205.01353	6.1
205.05081	2.3
211.04013	4.5
213.05582	6.5
215.03421	2.6
217.04895	2.3
225.05455	2.6
225.07524	2.0
227.03465	5.2
229.04994	5.2
239.03517	10.1
240.04274	4.1
241.05046	5.4
243.02972	91.2
244.03346	7.0
245.04436	7.3
245.08102	2.6
254.02202	2.9
255.02980	13.4
256.03638	4.5
257.04517	7.2
265.05197	3.1
267.02942	8.5
268.03696	7.0
269.00854	9.3
269.04474	15.7
270.05243	4.9
271.02466	22.6
271.76672	1.8
272.03165	2.6
282.01431	2.1
283.02487	15.8
283.06067	5.1
285.03888	5.0
287.05563	10.9
289.07159	8.0
295.02490	6.4
296.03232	5.1
297.04007	8.5
299.02008	3.5
300.02747	26.3
301.03540	19.3
301.06815	3.3
309.03995	5.4
311.01920	7.0
312.03018	2.8
313.03546	7.7
315.04886	2.3
317.06604	3.2
323.02057	2.3
327.05060	35.8
328.05505	3.6
345.06024	16.3
355.06476	5.5
363.04990	2.6
373.06302	5.3
392.05042	2.6
393.05734	2.2
401.06677	4.4
404.04666	2.2
419.07687	8.7
435.07092	4.5
445.05331	13.1
446.06265	6.3
447.07034	6.7
448.34888	2.4
451.06436	3.4
463.08105	47.9
464.07407	13.6
465.08011	7.5
481.07654	6.2
489.08118	6.9
489.50302	2.1
492.07190	2.8
507.09485	4.7
551.37427	2.0
599.10449	100.0
600.11090	21.2
615.11414	28.9
616.11847	4.0
625.12054	11.6
633.13025	3.8
741.13129	2.1
751.14801	14.6
760.70557	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	747.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77050	0.1
59.01376	0.3
61.98829	0.8
64.05568	0.1
71.01527	0.2
89.02435	0.1
101.02398	0.2
111.17779	0.1
113.02480	0.1
121.10213	0.1
165.09218	1.8
166.09584	0.1
215.14389	0.1
233.15469	100.0
234.15808	8.8
235.08298	0.1
253.09300	0.8
255.23631	0.1
265.14841	0.1
277.21729	4.6
278.22165	0.5
765.31830	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	749.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.6
59.01374	3.0
69.03481	0.9
71.01382	2.5
71.61464	0.9
71.61851	0.8
72.59640	0.7
75.50735	0.8
81.03454	3.2
83.01383	3.5
85.02947	1.7
85.73769	0.8
89.02412	1.0
93.03453	1.3
95.05038	1.7
97.02964	1.8
101.02433	2.7
109.02973	12.6
111.04514	2.2
119.04936	0.9
119.24778	0.8
121.02946	3.0
123.00871	3.3
124.01634	2.4
125.02444	65.9
126.02789	2.7
131.69995	0.8
135.04477	0.9
137.01421	1.3
137.02443	20.1
138.03239	1.5
139.04008	13.9
147.04521	0.9
149.02399	0.9
149.06050	1.4
151.03984	1.6
152.04639	0.9
159.04527	1.0
161.02409	2.8
163.03871	0.9
164.01178	5.2
165.01936	14.4
166.02596	1.9
167.03494	16.1
173.06058	0.8
175.04005	3.2
177.01894	1.9
177.05551	2.9
179.02025	1.2
179.03491	13.6
191.07121	1.6
203.03499	2.4
204.04219	2.0
219.06635	11.9
221.04523	5.6
241.42613	0.8
243.06595	1.7
261.07553	3.0
289.07092	1.0
305.06659	100.0
306.06955	8.2
443.19104	6.9
749.22083	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	747.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28260	0.7
54.37720	0.8
54.99368	0.8
59.01379	1.4
61.98830	5.5
71.01390	1.2
71.62386	0.8
71.62772	1.5
77.41794	0.7
78.49034	0.8
78.97041	0.9
83.01369	1.0
93.03452	5.6
95.01373	1.0
95.05010	1.1
101.02497	0.8
108.02191	2.1
108.86655	0.9
109.02945	3.8
121.02948	12.9
122.03748	14.5
123.04510	1.8
125.02443	1.6
132.02193	1.7
133.02951	4.5
134.03748	2.5
135.04541	4.9
136.01643	1.3
137.02435	3.1
139.03995	1.0
145.02939	2.2
146.03809	1.1
147.04509	3.5
149.02443	34.1
149.06096	4.2
150.03226	99.3
151.03571	5.6
152.01097	1.8
153.01923	2.4
159.04503	0.8
161.02429	2.5
161.06038	1.1
162.03186	0.9
163.00240	0.8
163.03999	7.1
164.04797	7.8
165.05568	100.0
166.05879	4.5
167.03543	1.4
174.03224	2.0
175.04007	10.8
176.04756	2.4
177.05626	3.9
179.03500	1.3
179.07158	2.5
180.04283	13.5
181.05014	1.9
188.04811	1.9
189.05580	4.3
190.06332	13.1
191.07132	9.7
193.05043	6.8
194.05873	6.6
195.06619	60.5
196.06953	2.9
203.07260	1.3
205.08694	10.8
207.06627	3.6
208.07417	9.2
209.08156	1.0
222.08907	1.5
237.29080	1.0
297.11508	1.1
315.07086	1.0
327.11929	0.9
343.11618	0.9
344.12518	3.1
345.13440	3.2
356.12469	1.4
357.13391	4.5
358.14227	1.4
359.14978	57.9
360.15387	6.1
371.14948	2.1
374.13342	1.4
389.15982	6.4
507.20309	5.1
508.21091	0.9
522.18378	1.4
537.21277	72.8
538.21606	14.2
567.22485	1.8
572.24329	0.8
585.23389	64.8
586.23785	13.8
748.18854	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	749.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39798	1.0
58.69729	1.2
60.30010	1.0
61.98827	4.0
63.96229	1.7
70.11391	3.5
71.01377	7.5
73.02934	1.1
78.95889	1.5
78.98598	7.2
79.95742	13.7
80.96516	80.9
85.02946	1.8
87.00876	3.2
94.98088	21.4
96.95978	1.6
97.02950	1.7
101.02431	2.2
106.98087	3.5
120.38767	1.2
122.97590	2.9
125.02435	3.4
134.97540	5.1
136.99146	1.3
148.99171	6.9
152.98593	6.0
164.98633	14.0
188.98593	1.3
206.99687	3.3
211.13449	2.0
216.10181	1.1
225.00716	19.7
226.01105	1.3
234.67595	1.3
255.23297	2.0
277.21664	1.9
283.05035	1.2
384.29214	1.2
407.20450	1.0
489.64944	1.1
493.17438	2.0
749.41461	100.0
750.41681	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80164	1.0
55.01861	1.2
57.03472	1.6
58.00591	4.7
59.01381	100.0
61.98839	8.5
69.36858	10.0
70.74006	1.1
71.01383	68.9
72.01716	1.2
72.99316	5.4
73.02954	2.2
75.26004	1.0
81.37929	1.2
83.01394	3.4
85.02947	10.2
87.00873	4.4
89.02450	83.7
91.77912	1.0
93.03422	1.7
95.01389	4.8
98.20560	2.2
101.02448	39.9
110.16174	1.1
113.02455	25.6
119.03500	34.8
119.04308	2.3
121.02951	3.2
122.03751	7.4
125.02466	2.4
128.54323	1.0
131.03499	3.9
136.01613	1.5
137.02449	1.4
143.03500	6.5
149.02429	14.6
149.04561	3.2
150.03230	38.0
151.03673	1.5
153.02008	1.3
160.01666	2.0
161.04515	6.3
164.04774	2.0
165.05574	34.5
166.05907	2.1
179.05597	14.7
180.04263	2.6
195.06616	22.3
196.06886	1.6
223.09749	1.2
242.09621	1.1
270.08972	2.3
285.11252	1.4
298.08392	1.7
310.08307	2.0
313.10760	1.4
325.10855	2.1
326.07880	2.2
341.10349	12.8
342.10699	3.4
356.12604	7.2
357.12958	1.4
371.14948	29.6
372.15237	2.2
502.01135	1.3
519.20355	11.5
520.20709	2.2
537.21149	1.9
747.28705	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	745.503
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
58.66588	4.6
59.15382	4.2
61.98825	22.0
71.61693	5.6
78.95913	22.3
88.93439	4.6
118.87734	6.2
120.02710	4.9
152.99559	26.7
165.10419	5.1
169.40388	4.4
206.05743	4.9
232.73424	5.1
255.23265	100.0
256.23615	10.1
277.21548	6.5
279.23300	41.9
280.23642	8.5
281.24915	13.3
392.35782	5.4
509.28995	16.1
745.50000	55.3
746.50696	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98836	100.0
62.98535	0.3
69.35815	1.3
71.01368	0.2
93.13807	0.1
96.96023	0.5
98.20692	0.2
101.02480	0.3
125.02470	0.3
137.02470	0.3
145.02997	0.2
161.02434	0.2
165.01927	0.2
174.03206	0.2
175.03975	0.3
187.24510	0.1
189.05602	0.7
230.04625	0.5
233.08549	2.8
234.08897	0.3
327.08908	0.3
336.08908	0.3
337.09573	0.5
341.10419	0.3
351.11230	0.3
352.11884	0.8
375.27750	0.2
504.16995	0.2
505.17178	0.2
520.19946	0.4
534.49207	0.2
683.26111	4.6
684.26563	1.1
689.74506	0.1
747.31384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
59.01381	11.8
71.01381	2.6
73.02963	0.6
73.15031	0.2
83.01395	0.4
85.02955	1.1
89.02463	1.7
93.03458	5.5
101.02446	1.7
102.90500	0.2
107.04948	0.2
113.02412	1.0
119.03603	0.5
119.05036	4.2
120.05381	1.0
121.06595	7.0
125.02415	0.5
145.20569	0.2
147.04523	0.6
161.04565	1.1
163.04007	3.1
164.04359	1.4
165.05565	100.0
166.05899	5.5
172.14848	0.2
179.05612	0.4
207.06535	0.4
257.10309	0.4
257.93240	0.2
291.46692	0.3
323.13489	0.3
325.09189	0.4
327.10834	25.7
328.11261	2.6
405.13156	0.2
419.15558	3.9
420.15811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.6
59.01382	10.1
61.98835	21.1
65.85697	1.2
69.29316	9.7
69.29745	3.4
70.96150	1.1
71.01391	9.5
73.02899	1.6
85.02972	3.3
86.79703	1.3
88.98804	2.6
89.02443	7.2
93.03448	6.7
95.01416	1.6
95.05020	1.3
96.96014	1.8
101.02449	5.4
108.02197	5.9
109.02960	4.6
113.02467	3.1
119.03525	2.2
120.01266	6.0
121.02965	15.5
122.03741	18.6
123.00888	2.5
123.04543	3.7
124.01699	1.3
125.02454	7.1
132.02271	1.4
133.03009	3.0
134.03752	1.9
135.04520	10.3
136.01674	22.3
137.02464	8.6
142.16801	1.2
147.04536	2.4
149.01247	1.6
149.02452	31.7
149.06102	1.9
150.03230	100.0
151.00381	5.1
151.04041	29.1
152.01170	5.0
152.04329	2.0
153.01958	2.5
153.05627	2.0
154.35741	1.3
158.85892	1.4
161.02415	3.3
161.06085	1.8
162.03200	2.9
163.03979	3.8
164.04781	6.5
165.01929	2.5
165.05573	98.7
166.02728	19.3
166.05963	3.9
167.03490	2.1
172.05310	1.4
175.04027	5.1
175.07713	2.0
176.04855	1.7
177.01965	2.8
177.05534	3.2
179.03467	1.5
179.07117	1.8
180.04295	7.1
181.05057	23.8
181.06538	2.0
189.05508	3.9
190.06351	7.1
192.48972	1.3
193.05048	3.0
195.06627	73.4
196.06958	3.6
202.31494	1.3
205.05042	2.5
205.08675	2.3
221.08237	1.9
282.05408	2.0
289.07303	2.1
297.07596	1.6
309.08072	1.6
315.08737	1.8
329.10376	3.4
341.10257	2.1
342.11209	1.6
356.12735	2.6
357.09631	4.1
357.13516	9.9
359.14957	2.1
372.12039	3.9
373.12628	1.7
387.14456	61.4
388.14743	9.1
505.18655	1.9
517.18549	1.4
523.18378	2.6
535.19708	72.8
536.20209	15.7
553.20856	2.6
565.20752	23.1
566.21387	6.3
583.21851	48.2
583.31366	2.3
584.22186	9.3
745.25922	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	745.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.7
59.01384	4.6
61.98835	12.3
68.99850	1.0
71.01384	4.1
71.62691	0.8
72.99358	0.7
83.01385	0.9
85.02966	1.3
88.98830	1.1
89.02441	2.6
92.34383	0.7
93.03473	3.6
95.01375	1.0
95.05039	0.7
101.02454	2.1
108.02170	3.1
109.02963	2.8
113.02494	0.7
119.03509	1.0
121.02932	4.8
122.03749	14.7
123.00917	1.8
123.04557	3.9
124.01710	1.7
125.02441	3.0
133.02966	2.4
135.04538	2.5
136.01666	11.1
136.17548	0.6
137.02448	3.9
138.03215	1.0
139.04082	0.6
145.03008	0.7
147.04549	1.1
149.02446	17.8
149.06085	1.0
149.69008	0.7
150.03229	93.4
151.00403	3.2
151.04033	13.5
152.01112	1.2
153.01935	1.2
153.05551	0.9
161.02466	1.6
162.03212	3.5
163.00424	0.8
163.04008	1.5
164.04803	3.4
165.05571	100.0
166.02710	8.1
166.05951	3.8
167.03442	1.4
173.55075	0.7
175.03978	1.5
177.05569	3.5
178.02727	2.5
179.03462	1.1
180.04315	6.6
181.05070	9.8
189.05563	1.1
190.06361	1.3
193.05049	4.4
194.05614	0.7
195.06627	95.7
196.06934	5.5
201.11298	0.9
207.06541	0.9
209.11790	1.6
221.08228	1.0
227.12955	0.7
263.12845	5.6
289.07086	1.3
327.08542	0.7
341.10300	0.9
342.11142	1.0
357.09641	2.7
357.13400	8.0
369.13409	0.7
371.14624	0.8
372.12054	1.1
373.12854	0.7
387.14496	24.9
388.14893	2.6
523.22046	1.1
535.19775	9.7
536.20087	1.4
553.20374	1.3
563.24841	0.8
565.20294	3.0
583.21844	18.7
584.22375	3.6
745.26184	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
60.99307	16.2
61.98830	81.2
62.98535	0.8
63.99255	0.7
71.01355	0.7
73.02956	0.4
76.21995	0.3
81.81745	0.3
87.00867	1.1
88.00402	3.4
88.98808	100.0
89.02444	11.9
89.99140	1.2
90.02773	0.3
124.32839	0.3
125.02446	0.7
125.09764	0.4
164.91245	0.3
171.10271	1.0
201.11290	1.0
202.11694	0.4
209.11798	2.5
210.12132	1.4
218.03802	0.3
253.09143	0.3
255.23337	0.7
275.47473	0.3
277.21725	1.6
278.21933	1.3
279.22339	0.4
288.27347	0.3
293.21152	1.0
327.20456	0.3
375.03012	0.3
382.06900	0.3
397.13263	1.2
398.13840	0.4
415.14606	0.4
416.14587	0.3
458.42529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35201	5.4
59.01395	9.4
59.14351	5.6
61.98832	100.0
69.47500	24.1
69.47923	22.4
78.95914	74.1
96.96950	9.2
116.92944	6.5
152.99603	30.0
162.85719	5.3
208.26300	5.8
211.13438	11.4
277.21667	15.5
279.23416	6.1
285.98685	5.1
295.22836	16.0
297.75360	5.9
396.26971	5.6
404.31882	5.6
431.22128	12.6
447.21436	9.4
465.22495	7.6
469.32031	7.2
487.96661	6.0
518.10107	6.1
590.71887	8.1
716.01935	6.3
743.45190	42.9
744.45129	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	744.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98830	100.0
62.98525	0.2
96.96014	0.2
150.42221	0.1
154.73799	0.1
284.26819	0.2
339.80649	0.1
398.14099	0.1
399.14032	0.2
464.39819	0.1
650.84790	0.1
724.78052	0.1
745.44910	0.2
765.32770	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	743.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.2
59.01379	31.6
66.60324	0.5
69.87878	2.7
71.01382	20.4
72.01672	0.8
72.99294	2.1
83.01363	1.5
85.02955	4.9
87.00867	1.1
87.13335	0.6
89.02443	21.5
90.02782	0.8
95.01382	2.1
99.00871	0.9
101.02446	15.5
113.02442	7.9
119.03500	9.4
119.05020	1.2
125.02434	0.8
131.03531	1.0
143.03525	0.9
147.40532	0.5
149.04561	0.9
153.95651	0.5
161.08217	1.3
163.03928	1.1
179.05565	1.1
220.19255	0.6
253.08359	0.6
289.07159	0.7
293.95151	0.6
323.13455	100.0
324.13837	7.1
349.20142	0.6
399.30884	0.7
453.55414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67986	0.1
59.01380	0.5
61.98833	100.0
62.26500	0.2
63.74119	0.1
70.06050	0.6
71.01399	0.2
78.95914	0.2
80.22860	0.2
89.02463	0.2
98.20566	0.3
101.02470	0.2
123.40665	0.2
144.24088	0.2
149.79541	0.2
154.80812	0.2
191.37808	0.2
201.11342	0.7
202.11681	0.3
209.11862	1.6
210.12308	0.4
227.12935	0.3
235.08504	0.2
253.09251	0.4
277.21689	2.2
278.22098	1.6
282.25421	0.4
318.26453	0.2
350.55933	0.2
355.92438	0.2
382.92090	0.2
399.14038	0.3
611.34576	0.3
706.46533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92387	0.8
59.01371	3.5
60.99295	0.8
61.98518	1.9
61.98833	34.4
62.49433	0.9
65.12719	0.9
73.02946	1.2
85.02952	1.3
88.98834	1.2
89.02451	1.0
96.95977	1.1
98.68363	0.9
101.02428	2.3
109.02956	1.5
121.02969	3.0
122.03682	1.3
123.00867	4.1
123.04502	3.2
124.01656	2.7
125.02454	2.0
125.53048	0.8
134.03716	1.0
135.04536	1.3
137.02435	1.3
138.03212	3.2
139.03989	2.1
145.02960	3.4
150.03270	1.0
153.05551	1.7
159.04475	1.3
173.02457	4.4
174.03220	16.7
175.04010	6.8
177.01884	2.0
178.05106	1.8
187.04037	3.4
188.03342	1.3
188.04785	4.5
189.05573	32.7
190.05920	1.9
200.03497	2.1
201.04251	4.6
202.04907	1.3
203.07137	1.5
205.05157	1.2
207.06522	0.9
218.04506	2.6
229.03731	5.4
230.04596	25.2
231.05109	3.5
232.06123	1.4
243.05244	1.0
244.06139	10.5
245.06613	1.1
253.04855	1.0
269.04456	1.2
279.02838	1.5
280.03775	2.5
283.06183	1.7
285.04007	1.2
289.07178	1.3
295.06384	1.2
297.04019	3.4
311.05569	3.1
312.06412	4.7
324.08719	1.7
326.07904	5.4
327.08777	9.3
328.09286	1.7
328.69238	1.2
338.10278	9.5
339.10583	1.6
341.10263	8.4
342.10840	2.3
352.08218	3.2
366.05676	1.3
366.09863	19.0
367.10556	27.9
368.10983	3.3
371.24261	2.7
375.27219	1.4
380.11371	1.1
381.12311	13.2
382.12997	34.3
383.13385	4.3
386.12540	0.9
396.14758	4.9
489.10925	1.3
504.13052	2.2
505.13809	2.5
519.15320	5.0
520.15918	3.0
534.17548	10.2
535.18622	4.7
550.20874	49.0
551.21191	8.0
575.19910	1.2
589.22021	2.0
627.38422	1.1
705.41254	1.0
721.25336	1.2
731.61902	1.0
743.28235	100.0
744.28491	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	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.9
59.01386	8.4
61.98837	21.2
62.21386	0.9
71.01394	4.8
71.63021	1.1
71.63400	0.9
72.99295	1.4
73.02968	1.4
75.74098	1.0
78.95895	2.6
79.62128	0.8
83.05017	4.2
85.02960	1.0
87.00911	1.4
89.02467	3.5
101.02444	4.0
113.02450	2.3
116.92889	1.1
119.03532	1.1
125.02463	1.7
125.09739	1.7
127.11288	1.8
143.03439	1.1
152.99585	1.2
155.10913	1.0
161.04573	2.3
163.11244	2.6
163.86264	0.9
165.12708	1.5
181.12413	0.9
199.09692	1.1
199.13348	1.5
201.11336	39.5
202.11763	1.8
209.11841	79.7
210.12128	7.2
227.12912	10.4
235.08261	7.5
253.09294	18.6
277.21744	100.0
278.22089	9.8
295.22818	3.6
426.84344	1.1
437.20370	1.5
445.20822	1.2
462.24066	0.9
505.25507	3.3
513.30554	1.2
600.58118	1.1
600.69257	1.0
741.47107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77127	2.1
61.98827	9.2
78.95903	43.2
83.86525	2.0
85.70490	2.0
91.40231	2.1
96.96950	3.0
103.80333	1.7
110.98528	2.3
122.49387	1.8
152.99597	50.8
157.64532	2.4
171.00603	3.1
178.97543	2.2
195.13962	2.5
227.03188	6.1
245.04184	2.9
245.95282	1.9
253.21692	30.1
254.22139	3.5
255.23302	2.0
277.21701	94.7
278.22003	11.5
279.23273	17.3
280.23587	10.1
281.24799	14.7
282.25168	5.7
295.22778	14.9
305.13760	1.9
505.25708	100.0
506.26056	13.9
741.46295	30.0
742.46533	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	741.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88440	3.1
61.98833	6.6
71.32590	5.8
73.54887	2.6
78.95905	37.8
100.31429	2.6
104.18049	2.9
108.82895	2.5
152.99599	38.5
188.29167	3.0
227.03226	5.5
232.40085	3.4
234.45872	2.9
236.71156	2.8
253.21674	26.3
254.22145	3.1
277.21725	81.0
278.22040	7.3
279.23331	3.0
281.24823	5.5
490.75394	3.1
505.25729	100.0
506.26157	13.4
579.63721	3.0
606.93573	2.8
741.47150	23.2
742.47003	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	742.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68840	0.3
59.01374	1.2
61.98835	100.0
62.98532	0.3
70.82157	0.4
70.82508	0.5
71.01396	0.4
78.95911	0.5
86.33189	0.2
87.37505	0.2
88.98830	0.7
123.04381	0.3
125.09699	0.3
131.78197	0.2
135.08168	0.2
168.73141	0.2
201.11359	1.4
202.11684	0.7
209.11845	3.8
210.12143	1.7
227.12915	0.4
233.15483	0.4
253.09329	0.3
272.45285	0.3
277.21732	2.7
278.22165	1.3
282.25244	0.3
505.25577	0.3
675.72394	0.2
773.17163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20247	0.4
54.88805	0.5
56.91308	0.4
59.01363	1.5
61.98834	7.9
63.02385	0.7
65.00330	0.5
69.31787	4.1
71.90112	0.4
78.38591	0.5
78.95861	0.5
83.01385	0.9
85.02936	0.9
89.02453	0.6
93.03471	3.1
101.02451	1.2
107.01390	1.8
107.05037	0.9
109.02957	1.0
113.02483	0.9
117.03458	1.2
119.05029	13.4
121.02968	1.0
123.00874	0.9
123.04537	0.7
124.01701	0.4
125.02460	1.3
131.05008	0.8
132.02176	0.6
133.02983	0.7
135.00877	1.4
135.04541	0.5
137.02463	1.3
138.03227	0.7
139.03989	0.5
143.05058	2.5
145.02936	3.8
145.06599	0.6
149.02440	0.8
151.00372	3.1
153.01956	1.1
157.06570	1.1
159.04498	1.6
163.00349	1.9
163.03992	4.5
165.01936	1.0
167.05069	0.7
169.01541	0.6
169.06543	0.5
171.04434	0.7
173.02464	0.7
174.03230	1.1
175.03981	1.5
183.04488	1.0
185.06007	2.2
187.03989	2.9
188.04613	0.6
189.05545	2.9
190.02634	1.2
195.04570	0.7
197.06081	1.5
199.04004	1.1
201.05705	0.5
201.12865	0.8
203.07159	0.6
205.05121	1.1
205.12349	1.3
210.06813	0.7
211.04008	2.1
211.07607	4.6
212.04706	0.6
213.05611	2.3
214.02728	0.6
223.07736	0.9
227.03500	17.6
228.03946	1.6
229.05060	13.1
229.06976	0.3
230.05359	1.0
235.07603	0.5
237.09132	0.7
239.03500	1.9
240.04326	1.2
241.05034	1.7
245.11781	1.3
249.11273	1.3
255.03003	30.3
256.03534	4.2
257.04581	6.7
258.04889	0.6
265.08716	1.7
267.03000	0.8
283.02560	0.7
284.03275	38.7
285.04037	100.0
286.04398	8.3
309.07608	0.9
327.08792	1.1
373.26031	0.6
411.80673	0.6
431.09830	40.1
432.10120	5.7
450.63696	0.5
515.16260	0.6
529.10248	1.2
577.13483	13.6
578.13916	2.3
697.19214	8.3
698.19934	2.2
741.16150	9.9
741.30469	4.5
742.17615	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	740.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46050	0.1
59.01378	0.3
59.01676	0.1
61.98832	100.0
62.98537	0.2
71.01391	0.2
89.02452	0.1
95.71334	0.1
98.20660	0.1
101.02567	0.1
150.86057	0.1
197.11894	0.1
199.13455	0.1
209.11880	0.2
211.13446	0.4
212.13808	0.2
253.09268	0.2
277.21927	0.1
279.23203	0.2
280.23706	0.2
293.21127	0.1
295.22894	0.3
309.20584	0.1
310.20950	0.1
399.14114	0.2
399.42276	0.1
400.14066	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.81598	0.1
61.98831	100.0
62.98545	0.1
70.95242	0.2
70.95567	0.2
71.01403	0.2
71.74386	0.1
89.02448	0.1
101.02471	0.1
124.59410	0.1
141.88857	0.1
209.11874	0.3
210.93359	0.1
279.23431	0.2
280.23688	0.2
293.21347	0.2
294.21555	0.1
398.13788	0.2
399.14111	0.2
400.14435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.98830	100.0
62.98544	0.2
62.99262	0.1
211.25056	0.1
222.01067	0.1
229.20317	0.2
238.25262	0.1
285.57791	0.1
301.95316	0.1
483.44064	0.1
680.50598	0.7
740.49274	1.6
741.50433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89093	0.1
56.60982	0.2
57.03445	0.4
59.01384	0.3
61.98837	1.7
66.37637	0.1
71.01381	0.4
71.62965	0.1
85.02975	0.3
89.02435	0.2
93.03487	0.2
99.92590	10.7
100.92604	0.6
100.93257	0.1
101.02483	0.3
109.02997	0.2
111.00870	0.2
111.32336	0.1
113.02457	0.3
114.93418	0.3
116.92870	100.0
117.92879	6.1
123.04496	0.3
125.02456	0.5
136.99086	0.2
137.02484	0.4
151.00395	0.2
151.04002	0.4
165.05655	0.1
166.05077	0.4
181.04971	0.2
195.13945	0.2
215.33273	0.1
238.06099	0.1
239.12910	1.2
243.02982	0.2
267.16068	0.9
267.35211	0.1
271.02499	0.3
271.09808	0.2
285.04065	0.2
289.07132	0.3
299.02048	0.2
300.02676	0.5
314.04367	0.3
315.05127	0.4
462.66788	0.2
595.19806	0.1
623.16541	0.9
624.16669	0.2
741.25513	0.3
753.83081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
61.98836	12.8
63.99259	0.4
71.01388	0.5
71.11962	0.5
73.64769	0.3
77.03973	2.7
78.95939	0.7
83.01394	0.3
83.05038	0.5
88.98804	0.3
95.05043	0.4
100.02829	0.3
112.56836	0.3
113.99014	0.3
114.48936	0.3
121.02966	100.0
122.03284	4.4
137.02432	0.7
143.59451	0.3
151.04059	0.3
152.99599	0.4
165.01949	75.1
166.02283	3.4
168.15723	0.4
180.05838	0.8
181.06642	2.5
185.11732	0.4
191.03477	1.7
195.13887	0.4
197.06126	0.5
199.13414	0.5
209.11823	2.7
210.12163	1.3
211.13394	0.9
225.05591	1.9
227.12962	1.0
253.09219	0.6
277.21704	1.3
293.21280	1.8
294.21576	1.7
295.22458	0.7
300.02777	0.4
309.20761	0.4
311.22345	0.5
313.07156	2.3
319.22787	1.1
357.06186	10.8
358.06567	1.3
505.25629	1.4
639.94305	0.4
741.14563	4.7
742.15070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.45866	0.2
61.98836	4.0
70.39695	0.6
71.01389	0.5
83.01395	0.8
85.02971	0.3
93.03457	1.4
97.06577	0.3
97.42237	0.2
99.00889	0.3
101.02418	0.5
107.01363	1.2
108.02178	0.3
108.78371	0.2
109.02962	0.9
111.00884	0.2
113.02430	0.3
116.92857	0.4
117.03470	1.1
119.05028	1.5
121.02962	0.5
123.04556	0.3
125.02380	0.5
135.00867	0.7
137.02434	1.0
141.07030	0.3
143.05025	0.6
145.02940	2.0
149.02472	0.3
151.00362	1.0
151.04045	0.4
153.02011	0.5
154.04202	0.4
157.06538	0.4
159.04480	0.9
163.00424	1.2
163.04036	0.8
164.04648	0.3
165.01958	0.6
165.05632	0.2
167.04921	0.3
169.06598	0.8
171.04538	0.6
173.02371	0.4
173.06093	0.3
174.89018	0.4
178.99991	0.2
179.03426	0.3
183.04482	0.6
185.06067	1.6
187.04010	1.5
189.05475	0.4
197.06029	0.5
199.04028	0.5
201.05565	0.3
211.03986	0.9
212.04489	0.3
213.05469	1.4
213.67036	0.2
214.02724	0.4
215.03502	0.4
227.03488	3.4
228.03821	0.3
229.05064	5.0
229.24599	0.3
230.05423	0.4
239.03566	0.6
240.04337	0.4
241.05026	0.9
243.02980	0.5
255.02980	6.6
256.03687	1.1
257.04602	2.8
263.12952	1.9
267.03067	0.5
269.04593	0.6
283.02502	4.5
284.03217	5.6
285.04044	100.0
286.04370	8.7
289.07104	0.6
297.04010	0.3
327.05148	1.1
391.67236	0.3
413.08701	0.9
431.09973	0.6
446.08832	0.3
447.09354	4.1
448.09460	0.4
477.96500	0.2
558.58569	0.3
577.13525	28.0
578.13861	5.9
739.18231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.1
61.98833	50.8
71.01395	16.2
71.53828	3.7
73.02927	3.5
75.00872	2.3
78.95907	5.5
83.42916	2.1
85.02950	4.2
87.00889	4.2
89.02441	4.8
89.20075	2.2
96.74788	2.2
97.02950	3.2
99.00894	7.2
101.02446	6.2
109.06587	7.3
113.02470	3.1
116.92885	3.8
125.06072	2.7
125.09702	5.3
152.99596	4.6
153.68326	2.0
155.10725	2.3
163.11285	8.9
171.10257	29.2
172.10617	2.4
181.12366	4.8
193.51379	2.8
197.11887	3.4
199.09715	11.8
199.13344	3.3
201.11372	14.2
207.10252	39.8
208.10577	2.9
215.12845	3.9
225.11307	55.4
226.11688	4.1
235.08116	5.7
243.12402	8.1
253.09250	14.1
271.02295	3.3
277.21732	100.0
278.22055	12.3
293.21164	3.2
435.18533	2.9
443.19281	3.9
461.20255	6.1
695.40088	7.0
721.41449	9.6
739.32166	4.1
739.42676	35.6
740.42633	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01386	10.4
60.42456	0.9
61.98834	18.0
69.03451	1.2
69.82341	2.7
69.82747	2.5
71.01389	7.3
71.05022	2.8
73.02930	2.1
74.11764	1.1
78.95896	4.1
85.02959	2.0
87.00880	6.1
88.00403	2.3
88.98811	4.8
89.02441	6.1
97.02954	2.8
97.06580	2.4
99.00887	12.8
101.02443	5.4
105.36482	1.0
109.06623	1.0
109.15268	1.0
110.03741	1.1
113.02444	1.9
116.92835	3.1
123.08176	1.3
125.09707	6.0
135.08156	1.2
145.05081	1.1
152.99602	1.6
161.04607	2.0
161.09726	1.3
163.11282	7.1
171.10255	4.4
181.12334	12.2
197.11769	1.2
199.13396	10.5
201.11327	2.0
207.10266	24.2
208.10539	1.2
209.11763	1.4
225.11325	46.8
226.11574	3.5
235.08118	3.1
243.12347	6.2
247.14307	1.0
253.09251	4.8
255.23140	1.1
277.21713	73.5
278.22073	9.5
293.21167	3.3
443.19220	1.8
461.20285	5.6
462.20804	1.1
479.21292	1.8
499.90729	1.0
721.41962	6.0
722.42169	2.6
739.42682	100.0
740.43042	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.4
59.01391	2.6
64.18159	1.6
69.72038	5.3
69.72450	5.7
77.12938	1.7
81.03450	2.8
83.01391	6.0
95.05035	4.9
97.02961	5.6
103.68992	2.0
107.05074	2.3
109.02962	29.3
117.03423	1.8
119.05170	1.9
121.02979	6.7
122.03704	2.0
123.04523	27.5
125.02450	64.3
126.02757	2.5
131.05009	3.4
133.02957	4.7
135.04562	3.8
137.02477	25.5
139.03998	3.2
145.02966	4.1
149.02502	8.6
151.03993	17.4
159.04507	8.9
160.01674	5.4
161.02441	18.5
161.06105	6.9
162.03096	2.3
163.00362	3.1
163.04034	7.6
164.01146	5.5
165.01915	7.6
167.03462	2.7
173.06055	3.6
175.04010	20.2
175.40953	2.1
177.01898	8.7
177.05565	4.8
179.03574	4.2
183.04543	7.2
184.05307	1.8
185.02454	6.0
185.06088	4.3
186.03116	1.9
187.04015	15.8
188.04794	2.7
197.06010	2.4
199.04004	6.4
201.01872	1.9
201.05617	11.3
203.03467	5.1
203.07104	10.7
205.01489	1.9
205.05090	8.9
207.04582	1.7
211.03949	3.5
213.05598	4.0
214.02626	2.3
214.19521	1.9
215.03358	4.2
217.05023	2.9
221.08095	2.8
225.05602	19.1
227.03551	5.0
227.07010	2.1
228.04131	3.9
229.05060	11.0
231.03001	5.0
231.06706	3.0
241.05063	4.3
241.08560	2.0
243.03053	5.0
243.06598	3.8
245.04552	25.7
245.08188	12.9
246.04889	2.2
253.05124	2.5
255.02963	17.7
256.03799	9.8
257.04556	5.1
269.04559	96.1
270.04889	10.2
271.06146	7.8
273.04114	11.4
281.04617	10.1
282.01614	2.6
283.02661	3.0
285.04034	5.1
287.05716	4.2
289.07196	85.5
290.07532	7.9
297.04303	2.8
297.07617	2.1
311.05475	2.4
323.07846	2.0
331.08514	2.0
339.08646	6.3
381.09775	4.4
389.06729	2.2
407.07703	100.0
408.08087	15.7
419.07950	3.8
425.08789	31.4
426.09171	5.2
433.09225	17.6
437.08945	2.5
449.11023	13.3
450.10162	2.0
451.10928	6.2
459.69867	1.9
461.10944	3.7
493.13562	3.1
512.72980	1.9
515.14087	2.0
541.11353	5.3
559.12372	10.3
560.12158	2.0
577.13477	2.9
587.14001	8.7
613.15375	2.0
614.16272	2.5
739.18793	29.3
740.19513	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	739.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41838	0.5
59.01376	1.8
61.98837	34.7
63.02406	0.7
65.00307	0.8
65.04710	0.4
69.31308	1.7
69.31733	2.8
71.01388	2.0
73.02962	1.0
83.01392	1.8
85.02949	1.0
88.98816	1.7
89.02464	1.1
93.03474	2.1
94.98117	0.6
95.01414	0.5
96.96025	0.7
99.92588	0.6
100.51727	0.5
101.02463	1.3
107.01406	2.1
108.02186	0.7
109.02954	1.4
111.00888	0.6
113.02460	0.6
116.92869	3.0
117.03471	1.4
119.03572	0.5
119.04220	0.9
119.05032	12.5
120.05331	0.5
121.02980	0.9
123.04525	1.3
125.02475	3.4
130.50319	0.5
132.02263	0.7
133.02933	0.7
134.03754	0.6
135.00864	0.8
135.04453	0.5
137.02431	1.9
145.02957	3.6
149.02405	1.0
151.00349	3.1
151.04079	0.9
153.01880	0.5
154.02232	0.5
159.04504	1.6
161.02432	1.1
161.04538	0.6
161.06033	0.6
163.00388	2.7
163.04010	6.0
164.04851	0.7
165.01956	1.2
165.05533	0.5
167.05061	0.9
169.06662	0.7
171.04590	0.6
177.01924	0.5
183.04501	2.0
185.06091	1.9
187.03896	2.6
189.05609	1.3
190.02711	1.1
199.04007	1.1
201.05539	0.9
203.07222	0.6
205.05107	0.9
211.04016	2.1
213.05618	2.0
227.03500	20.8
228.03839	1.9
229.05040	9.8
230.05438	0.9
239.03467	1.3
240.04218	0.7
241.05087	1.6
243.06720	0.5
255.03006	37.1
256.03604	4.3
257.04526	5.5
267.03036	0.8
267.15967	0.7
269.04599	1.1
283.02505	11.6
284.03265	27.6
285.04062	100.0
286.04410	7.9
287.09326	1.2
289.07202	2.0
327.05179	1.5
367.10324	0.8
372.14349	0.7
375.27600	0.5
413.08771	3.6
414.08969	0.7
431.09521	0.6
447.09189	1.2
517.30103	1.1
577.13544	45.4
578.13940	11.4
619.15833	0.6
677.37665	0.8
739.18610	11.8
739.31842	0.7
740.18665	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19064	0.1
56.03044	0.1
59.01371	0.4
60.01740	0.1
61.98832	100.0
62.98537	0.2
64.60350	0.1
69.35555	0.8
71.01395	0.5
72.01723	0.2
73.02950	0.1
83.72321	0.1
87.00892	0.1
89.02454	0.4
101.02451	0.3
113.02464	0.2
117.56068	0.1
119.03511	0.1
119.84409	0.1
125.02477	0.2
131.73434	0.1
160.98508	0.1
195.13963	0.1
209.11812	1.2
227.12914	0.2
235.08368	0.1
242.65454	0.1
253.09352	0.3
275.20239	0.1
277.21762	0.4
278.22159	0.7
279.22592	0.3
280.22641	0.1
293.21198	0.8
346.78015	0.1
397.13876	0.2
398.13953	0.5
399.14035	0.8
400.14334	0.2
416.14929	0.2
417.15219	0.2
418.15555	0.1
525.77740	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	739.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
61.98833	19.7
63.02383	1.5
65.00334	3.0
69.67300	4.0
69.67725	1.6
71.01391	0.8
75.79783	0.7
78.95931	0.8
81.60824	0.7
83.01392	2.8
85.12853	0.7
91.01881	1.0
93.03483	1.7
93.68119	0.9
98.19869	1.3
101.02465	0.9
107.01394	6.1
108.02179	1.5
109.02963	2.7
117.03477	10.8
118.03867	0.8
119.05034	8.0
121.02963	3.6
124.01684	0.8
125.02443	1.7
133.02974	3.8
135.00845	1.5
135.04509	3.0
137.02429	1.2
143.04990	0.8
145.02965	16.8
148.01701	1.7
149.00140	0.7
150.99159	1.2
151.00375	19.7
153.01912	0.8
159.04506	1.4
161.02467	10.5
163.00375	4.7
163.04019	5.9
164.01103	1.1
165.01976	1.0
169.01355	1.8
171.04411	0.8
178.99875	8.6
179.03503	1.2
180.00179	1.0
183.04463	1.2
185.06116	1.3
187.04013	1.5
192.00613	0.9
196.67148	0.7
199.04039	1.9
201.05528	1.2
211.04022	2.0
215.03522	1.3
226.02788	1.9
227.03490	8.7
229.05002	4.4
229.57277	0.7
239.03545	0.8
243.02991	15.0
244.03447	1.5
245.04524	1.3
254.02129	2.4
255.02992	42.9
256.03369	3.8
257.04608	3.3
271.02478	67.3
272.02972	8.5
273.03812	1.7
283.02435	1.9
284.03290	10.8
285.04022	25.4
286.04437	2.5
299.02017	3.2
300.02753	100.0
301.03467	47.5
302.03928	3.5
303.46439	0.8
333.20584	2.4
334.05518	0.7
429.07755	0.9
447.09140	3.7
453.12125	3.6
575.11938	2.8
577.13525	15.2
578.13873	3.1
593.13031	62.4
594.13226	10.5
600.03650	0.7
695.40424	0.9
739.16748	48.8
740.17072	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	739.1881
Annotation	3-O-beta-D-Glucosylcatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
52.58261	1.7
57.03452	13.2
59.01372	4.9
61.98842	3.2
67.87782	1.8
71.64028	3.1
81.03478	3.9
83.01391	8.2
84.08044	1.6
93.03452	2.1
95.05025	2.2
97.02974	4.1
101.02460	1.8
108.02172	2.4
109.02957	29.2
119.05059	2.2
121.02962	5.8
122.03752	2.4
123.04535	22.7
125.02455	97.0
126.02766	3.9
131.05028	1.7
133.02966	3.9
135.04536	4.3
137.02451	26.3
139.04012	5.7
145.02939	4.8
146.03784	2.2
147.04619	1.7
149.02449	8.3
150.03264	2.4
151.04002	20.0
159.04555	10.6
160.01648	4.1
161.02455	24.0
161.06053	6.1
162.03127	2.2
163.00366	4.6
163.04005	9.6
164.01140	7.4
165.01888	7.4
165.05673	1.8
167.03439	3.4
173.06081	3.8
174.03275	2.7
175.04027	17.2
175.07582	1.8
177.01942	9.3
177.05568	2.8
179.03496	4.9
183.04547	6.4
185.02429	6.2
185.06078	2.4
187.04015	14.6
188.04526	2.3
188.75432	2.1
189.01863	2.1
189.05554	3.7
191.03439	2.8
193.05049	2.1
197.06046	4.3
199.03984	4.3
201.05565	8.5
202.06038	1.9
203.03452	3.6
203.07086	8.0
205.05113	12.6
211.04047	3.0
213.05592	3.9
215.03296	2.4
217.05046	5.2
221.08176	2.8
225.05544	16.9
227.03467	4.5
227.07202	2.8
229.05086	9.0
230.05873	2.3
241.05046	5.8
243.03043	4.3
243.06641	3.4
245.04561	16.3
245.08200	12.7
245.88689	2.1
253.04941	3.5
255.02956	10.7
256.03674	7.8
257.04428	4.9
267.02847	1.8
269.04553	100.0
270.04947	11.0
271.06042	5.2
273.04077	9.4
281.04529	15.1
282.05124	2.0
283.02545	2.4
285.04059	4.6
286.04785	2.6
287.05573	3.8
289.07193	74.1
290.07507	5.6
297.03973	3.1
299.05612	3.4
311.05472	3.0
321.07794	2.8
331.08182	1.8
339.08743	6.3
381.09924	3.7
385.80194	1.7
407.07706	82.9
408.07782	9.4
419.07947	5.6
425.08862	27.5
426.09097	4.0
433.09406	17.8
434.09546	3.2
449.10867	12.8
451.10260	9.7
461.10931	4.2
515.13678	2.4
541.11316	10.1
559.12469	11.4
560.12775	3.6
577.13190	5.5
587.14154	13.4
613.15656	5.7
613.73035	1.7
617.21869	1.8
739.18768	35.8
740.18915	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	737.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
58.73739	1.0
59.01381	2.2
61.98839	1.8
63.02401	2.2
65.00333	12.6
69.21349	0.7
71.01382	1.2
71.65099	1.3
81.03462	1.3
83.01390	10.6
107.01395	15.3
109.02968	1.7
113.02460	0.9
121.02975	2.4
124.01651	1.5
125.02468	8.1
126.02800	1.0
135.03004	1.0
137.02463	1.5
142.06596	6.3
146.77153	1.0
148.01700	0.9
149.99568	2.0
151.00375	65.3
152.00797	2.6
161.02419	0.9
163.00334	2.6
163.03978	1.4
164.01073	0.9
165.01875	1.6
168.00635	2.0
169.01430	92.9
170.01727	3.3
178.99876	5.3
186.05606	2.7
196.68367	1.1
201.05640	1.2
203.12842	2.6
204.06607	4.9
227.03470	2.2
229.04961	1.4
243.02988	5.9
245.04568	1.2
245.14012	1.2
246.07693	2.0
249.16364	0.9
254.02133	1.2
255.02968	15.3
256.03485	1.4
271.02490	30.7
272.02982	4.0
283.02411	2.6
289.11151	3.6
300.02740	54.9
301.03485	46.6
302.03827	4.2
447.09308	100.0
448.09619	13.8
580.15747	1.2
737.21021	3.7
766.88043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56331	1.2
59.01369	5.2
61.98833	26.7
71.01393	2.6
71.64246	1.9
72.99313	2.3
83.04992	1.4
88.98769	1.4
93.09211	1.3
101.02409	1.8
107.01463	1.8
116.92835	4.7
140.95747	1.3
151.00342	3.0
151.34520	1.2
157.67830	1.3
164.78571	1.3
169.12346	4.2
197.11835	11.0
199.03987	5.1
201.01973	2.4
201.38620	1.5
215.03473	5.8
223.13362	4.6
227.03503	7.0
230.47029	1.5
242.02190	15.1
243.02957	60.4
244.03394	3.7
245.71324	1.3
253.09119	2.3
257.04514	13.0
259.98520	1.5
270.01700	16.7
270.99649	2.9
271.02454	54.5
272.02744	5.7
277.21704	9.2
279.23260	2.3
285.04044	31.8
286.04736	8.0
293.21423	1.6
295.22678	7.9
299.02042	8.1
299.04712	1.5
300.02875	6.5
314.04337	41.9
315.04874	8.4
357.05988	1.5
425.60385	1.4
445.83719	1.4
583.49121	1.5
737.31366	100.0
737.40845	6.9
738.31622	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71521	0.9
59.01378	8.8
61.98828	16.8
69.03453	3.2
70.13094	1.4
70.13493	1.9
71.01374	6.1
71.05010	0.9
72.19875	0.9
72.99277	0.8
73.02947	1.0
78.84457	1.0
85.02955	2.0
87.00874	2.9
89.02436	2.8
101.02440	5.0
101.80006	0.9
113.02458	1.1
119.03539	1.4
123.08077	1.0
125.09734	1.6
137.37708	0.8
151.11256	2.9
153.12842	0.9
161.04518	1.3
161.09683	2.3
167.91437	0.8
169.12338	19.6
179.10786	5.2
197.11818	63.1
198.12137	3.5
198.85976	0.9
199.11119	0.9
218.81076	0.8
223.09703	1.6
230.84241	1.0
237.01073	0.9
241.10722	1.6
253.09254	3.7
277.21722	53.5
278.22079	6.6
279.23264	3.0
433.20917	1.1
560.99500	1.1
665.29358	1.0
715.98352	1.0
737.41156	100.0
738.41425	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	0.9
59.01378	14.5
61.98817	1.0
69.36935	5.2
71.01367	1.0
75.00878	5.1
81.03465	5.8
83.01363	0.8
83.05028	14.9
89.02451	0.8
90.73842	0.6
98.52523	0.6
112.11074	0.6
125.02426	1.9
135.02997	13.0
137.02409	1.5
138.25919	0.6
149.02402	1.3
152.94563	0.6
163.00356	0.9
165.01912	1.7
169.00986	0.6
176.01093	0.9
177.01942	5.2
186.32509	0.6
201.05618	0.7
205.01343	1.0
215.03641	0.6
224.17569	2.0
225.16068	10.3
241.04996	1.9
257.04520	0.9
267.15863	1.0
269.04553	1.1
309.21921	0.8
311.79553	0.7
341.29019	0.8
362.39685	0.6
367.26923	1.2
405.69797	0.6
409.59662	0.7
433.05603	1.2
451.32733	5.5
452.33267	1.1
601.09656	5.0
602.10126	2.5
659.49023	1.0
677.49683	100.0
678.49982	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	738.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45807	0.2
100.26151	0.2
101.02449	0.8
109.02959	0.6
119.04976	0.4
121.02998	0.2
123.04561	0.3
125.02428	1.2
137.02420	0.5
145.02972	0.3
149.99635	0.2
166.06645	0.4
167.03358	0.3
168.04538	0.2
173.60857	0.2
178.06615	0.3
192.04526	0.4
194.06076	2.0
205.05252	0.5
206.06076	0.5
220.04080	0.9
221.04735	1.4
222.05582	4.7
223.05949	0.2
229.17459	0.2
232.04070	0.3
233.04889	0.3
234.05591	0.8
237.04059	0.3
238.05138	0.3
240.06595	0.3
245.08044	0.3
248.03516	4.3
249.04274	8.4
250.05077	36.5
251.03123	0.3
251.05443	3.1
265.03775	0.3
265.06918	0.3
266.04526	0.7
276.03009	2.5
277.03464	0.5
278.04568	100.0
279.04913	9.7
281.04562	0.5
289.07254	1.1
290.07462	0.5
293.03268	3.2
294.03970	1.0
306.04037	0.7
308.05646	3.2
309.05786	0.5
322.03784	0.3
352.04608	10.1
353.05026	0.8
359.93607	0.2
739.21271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98833	100.0
62.98569	0.2
71.01373	0.1
78.26494	0.1
87.73410	0.1
89.02464	0.1
111.05775	0.1
163.51140	0.1
174.72202	0.1
209.11777	0.1
277.21735	0.1
278.22198	0.2
279.22287	0.1
293.21158	0.1
341.57178	0.1
398.13879	0.2
399.14099	0.2
622.54388	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	736.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.1
59.01370	0.5
61.98833	0.5
67.05553	0.3
67.39088	0.3
69.03447	0.7
69.72192	2.0
71.01388	0.4
80.02698	0.8
81.03470	2.3
83.01379	3.4
85.02943	0.4
93.03458	2.0
93.68418	0.4
95.05030	3.7
97.02961	5.9
99.04538	0.6
101.02467	0.5
107.05054	0.4
108.02172	1.5
109.02960	26.4
110.03300	0.8
111.04448	0.3
113.02441	0.5
117.03475	0.4
121.02956	4.2
122.03749	1.0
123.00906	0.8
123.04530	16.2
124.04852	0.8
125.02454	16.1
126.02848	0.8
133.03008	0.4
134.68393	0.4
135.04515	1.9
137.02452	10.8
138.01979	1.0
138.03203	1.4
138.05624	2.8
139.04015	3.7
143.01923	0.4
145.02957	1.6
146.03716	1.5
147.04587	0.7
149.02464	3.7
150.03290	1.7
151.04021	8.5
151.05222	0.5
152.04338	0.6
155.10254	0.3
157.06645	0.5
159.04538	2.4
160.05270	1.3
161.02435	1.7
161.06082	5.3
162.03206	1.5
163.03983	1.3
164.01152	4.0
165.01933	4.9
167.03505	1.9
173.06102	1.1
174.03244	0.7
175.03998	2.2
175.07642	2.0
177.05553	0.5
179.03500	5.2
185.06067	0.8
187.04039	5.3
188.04787	4.4
189.05226	0.4
191.03493	0.4
199.07649	0.4
201.05505	0.8
202.06387	1.9
203.03474	0.5
203.07133	12.6
204.07475	1.0
205.05060	7.5
206.05420	0.4
212.04802	0.9
217.05017	0.4
217.08589	0.5
221.08218	3.1
227.07144	2.5
229.05042	0.5
230.05762	0.9
231.03101	0.6
245.08189	18.2
246.08502	1.5
247.06145	1.0
267.25119	0.4
271.06149	0.9
289.07187	100.0
290.07538	9.5
337.34506	0.4
446.16730	2.1
453.74515	0.3
484.63202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.1
59.01389	9.0
61.98517	1.5
61.98837	23.9
71.01388	16.2
71.62733	1.7
73.02950	4.0
75.00883	5.2
78.95908	1.4
85.02946	5.2
89.02470	3.0
95.01386	2.4
97.06583	1.1
101.02437	7.4
113.02451	13.0
125.02411	2.4
161.04536	3.9
183.02444	1.0
190.52159	1.0
235.17055	4.5
273.22223	1.9
275.20129	3.2
277.21738	100.0
278.22128	9.5
278.54831	1.0
287.23712	1.8
291.23212	9.1
292.23969	1.5
293.21210	11.5
319.22787	25.4
320.23029	3.5
331.22815	5.2
340.82629	1.1
349.23889	6.9
350.24310	1.2
423.62708	1.1
463.11078	1.2
733.42865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03451	2.1
58.15989	0.9
59.01384	17.3
61.98835	44.3
69.03452	2.6
71.01385	19.0
71.63313	1.9
72.99323	1.5
73.02959	5.2
74.80987	1.1
83.01398	8.6
85.02971	5.6
87.00883	1.7
87.04480	1.3
88.98798	5.2
89.02444	11.8
93.03445	2.8
95.01367	2.1
95.05003	1.0
97.02945	7.2
99.00887	5.3
101.02451	8.5
108.02174	2.2
109.02964	13.7
111.00868	1.7
113.02435	3.2
116.92894	1.9
119.05025	1.2
121.02958	5.8
122.03756	8.2
123.00946	1.3
123.04551	12.8
124.01669	2.3
125.02464	7.4
131.03511	15.4
135.04500	3.0
137.02443	33.4
139.03992	4.1
145.02930	1.3
146.03603	1.6
149.02419	6.0
149.04546	2.6
150.03128	2.6
151.04037	7.4
152.01120	1.2
154.02733	1.8
155.10767	2.2
159.04514	2.3
161.02405	2.8
161.06070	5.3
162.03218	2.1
163.03981	4.3
164.01155	9.3
165.01935	49.1
165.05585	1.5
166.02318	2.5
167.37000	1.2
173.06070	1.4
175.04016	2.0
175.07588	1.6
175.11183	1.5
177.01883	1.9
177.05516	2.4
179.03500	5.8
187.04012	2.6
188.04776	1.5
189.12888	1.6
190.02559	1.4
191.05559	4.2
202.06308	1.3
203.07114	8.0
205.05046	9.7
205.40619	1.2
206.05464	1.2
225.16422	1.1
227.03522	1.1
229.05145	1.2
233.16228	1.2
247.06026	4.5
259.13382	4.2
263.12939	2.5
271.13364	2.9
273.14944	2.0
277.10837	2.5
288.06351	3.6
289.07120	2.1
299.12967	2.7
350.14966	1.0
355.19287	1.4
379.19055	4.0
423.18201	31.8
424.18472	4.3
425.19458	1.3
549.82819	1.2
583.24066	9.2
584.24316	2.0
664.70068	1.4
735.28644	100.0
736.29059	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	736.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.1
59.01374	0.6
69.03447	0.8
71.62096	0.4
80.02662	0.5
81.03460	2.5
83.01397	3.1
93.03449	2.1
95.01418	0.7
95.05026	3.4
97.02953	5.6
99.04497	0.4
101.02444	0.3
104.84126	0.3
105.03450	0.4
108.02169	2.2
109.02953	23.3
110.03280	0.7
111.04542	0.5
119.04986	0.3
121.02976	2.9
122.03750	1.0
123.04530	16.6
124.04852	0.4
125.02449	17.1
126.02749	0.6
133.02991	0.5
135.04514	2.2
137.02449	9.5
137.03485	0.5
138.01974	8.7
138.03178	1.1
138.05627	0.6
139.04015	4.2
145.02957	1.0
146.03745	1.1
147.04500	1.1
149.02457	3.9
150.03282	1.6
151.04022	8.4
157.06638	0.7
159.04504	2.3
160.05299	1.7
161.02455	1.3
161.06094	4.6
162.03311	1.6
162.06447	0.4
163.04008	1.1
164.01164	3.6
165.01938	4.1
166.02722	0.5
167.03546	1.5
173.06128	1.1
174.03255	0.5
175.03992	2.3
175.07639	2.0
177.05490	0.4
179.03506	5.3
185.06117	0.9
187.04010	4.7
188.04790	4.4
199.07611	0.9
201.05536	0.7
202.06305	2.1
203.03664	0.6
203.07140	14.1
204.07431	1.0
205.05058	8.2
205.06992	0.4
206.05415	0.7
212.04805	0.8
217.08659	0.4
221.08191	2.8
227.07184	2.7
230.05804	0.9
231.03017	0.5
231.59929	0.4
245.08186	16.5
246.08539	1.8
247.06154	0.6
271.06073	0.6
289.07169	100.0
290.07523	9.7
441.19897	0.4
514.03003	0.3
534.89014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47141	0.3
54.24479	0.3
55.01858	0.4
57.03438	0.7
58.00593	0.6
59.01379	8.2
60.19272	0.3
61.98832	2.5
62.41767	0.3
63.10661	0.3
69.32575	2.7
71.01385	9.9
72.99311	0.6
73.02950	12.2
74.03284	0.3
75.00868	1.4
79.22000	0.3
83.01385	0.7
85.02950	0.9
89.02436	3.5
95.01418	0.3
96.61938	0.3
101.02446	100.0
101.94769	0.3
102.02813	1.9
105.01928	0.3
105.42038	0.3
113.02450	2.4
119.03495	3.2
131.03522	1.4
155.03525	0.4
179.05640	0.3
184.14514	0.3
221.06691	1.4
233.15460	3.6
260.41388	0.3
269.47928	0.3
273.49457	0.3
277.21719	21.8
278.22055	1.9
289.80243	0.3
291.23383	0.9
303.23450	0.3
310.22079	0.3
319.22766	4.7
320.23010	0.5
331.22638	1.7
349.23862	1.3
358.86255	0.3
361.23813	0.4
379.24786	0.3
474.07077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
58.00610	1.4
59.01384	11.8
61.98835	15.4
69.03443	1.1
70.16221	4.5
70.52991	0.9
71.01387	24.9
72.99300	1.4
73.02947	8.7
75.00871	2.3
78.91889	4.1
83.01371	1.4
83.05012	1.3
85.02953	11.2
88.22614	0.9
89.02464	12.1
94.84889	0.9
97.02970	2.7
101.02443	28.1
113.02453	15.9
119.03544	2.8
125.02428	1.6
131.03513	11.2
143.03519	2.7
154.15427	0.9
158.37164	0.9
162.47050	1.2
171.10188	1.0
233.15459	25.3
234.15770	2.4
237.86580	1.1
273.22214	4.1
277.21732	100.0
278.22070	9.6
291.23318	25.8
292.23691	3.5
301.21793	15.1
319.22794	27.9
320.23099	3.0
331.22742	4.5
349.23788	7.3
614.20142	2.7
615.21423	1.6
717.03705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
59.38706	0.1
61.98832	100.0
65.08488	0.1
69.72887	0.7
69.73296	0.3
71.01393	0.2
95.00060	0.1
136.00536	0.1
157.32394	0.2
398.14078	0.3
399.14197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26140	0.9
53.82309	0.9
57.03441	1.7
59.01382	2.0
61.98836	21.2
67.87725	0.8
69.34570	1.0
69.34971	7.9
71.01378	2.6
73.02939	1.1
81.98065	0.9
83.01407	1.4
88.98805	5.2
93.03491	1.2
96.96013	15.3
98.02501	6.2
109.02978	1.0
117.03452	1.8
119.05028	2.3
121.02933	1.8
123.00867	4.1
123.04539	1.4
124.01669	2.0
125.02471	3.1
134.03723	1.8
134.18987	0.9
135.04541	5.4
137.02469	4.2
138.03139	1.2
139.03996	1.5
145.02975	4.6
147.04489	1.0
149.02489	1.3
150.03191	1.8
151.00381	39.4
151.04018	3.3
152.01042	1.3
153.05595	1.0
161.02426	2.0
162.03192	2.9
163.04013	21.6
164.04813	44.2
165.01942	1.3
165.05212	2.8
166.02725	69.3
167.03212	3.4
176.01009	1.0
177.04251	1.2
177.05585	2.2
178.05110	1.5
178.06390	10.5
181.05081	87.6
182.05365	4.1
189.01978	1.2
192.06633	1.0
193.04919	1.2
204.03032	1.0
206.04565	1.8
207.05258	4.4
208.06049	1.0
218.08192	4.0
220.06058	2.2
222.07674	2.7
223.44675	0.9
233.08534	100.0
234.08963	5.4
235.08200	1.4
248.09229	2.8
269.17477	1.1
289.07181	1.8
302.07901	1.9
317.10364	3.4
319.11908	1.1
326.10504	4.3
327.11365	1.0
329.15433	1.0
340.11688	1.6
341.12720	19.8
342.13531	7.2
342.89258	1.0
356.11337	3.6
356.15094	25.2
357.12045	1.6
370.12930	1.2
371.13696	10.8
372.14407	10.2
373.14938	1.1
373.26038	1.0
386.16141	23.8
387.16339	2.7
516.99506	0.9
534.20569	1.6
538.20782	1.4
549.22455	68.6
550.22833	13.2
568.21210	1.0
709.53644	1.2
713.27759	5.8
714.27185	1.7
731.28296	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	727.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	1.0
70.12985	4.4
70.27370	0.9
97.76402	0.7
107.01380	2.2
109.02956	1.6
118.65163	0.8
121.02930	2.2
123.06156	0.8
147.11790	8.8
151.00397	9.8
155.57584	0.9
160.01642	1.0
163.00343	2.1
173.25739	0.9
175.03940	1.6
178.99884	4.2
191.10782	53.2
192.11084	3.6
206.02469	0.9
211.04004	1.7
227.03320	1.5
235.09764	21.3
236.10150	2.1
243.02959	4.8
245.04535	0.9
254.02339	1.1
255.02968	16.6
256.03461	2.0
270.99615	1.5
271.02484	26.1
272.02835	3.4
279.08746	38.8
280.09030	3.2
283.02341	1.9
300.02750	57.5
301.03506	44.9
302.03717	4.2
408.88623	0.9
447.09338	100.0
448.09592	14.3
454.52750	1.0
475.07910	0.9
528.69629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98679	0.8
55.01881	1.7
58.00583	0.9
59.01383	30.6
60.01728	1.0
61.98833	80.8
69.03448	1.7
70.65452	1.5
70.65820	1.6
71.01385	23.3
72.99318	1.8
73.02967	2.7
75.00858	1.3
81.03468	1.0
83.01402	3.4
85.02972	4.3
87.00876	6.9
89.02445	21.0
95.01376	1.6
97.02981	4.1
99.04551	0.9
101.02447	18.1
113.02454	9.3
116.92903	1.0
119.03510	6.0
125.02451	10.0
131.03520	1.5
137.02480	1.5
139.04041	1.2
143.03470	4.9
149.04510	0.8
161.04503	4.2
162.46159	0.8
167.03488	1.2
174.82875	1.0
179.05627	4.4
186.02393	0.8
196.37027	0.8
209.11830	1.1
221.06610	1.3
235.08212	10.7
253.09167	1.2
269.24860	73.5
270.25177	6.7
279.23169	2.3
280.23474	0.9
287.07745	3.1
301.37665	0.8
305.08859	3.5
379.12384	1.3
394.44592	0.9
397.13495	100.0
398.13867	10.4
415.14560	28.3
416.14975	2.9
420.74060	1.0
447.81097	0.8
667.39203	5.1
668.39014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44546	0.8
59.06247	0.7
60.57589	0.7
61.45163	0.7
65.00325	1.0
67.23865	0.7
69.33828	7.5
98.20654	1.5
107.01402	2.0
108.02162	0.7
109.02961	1.1
119.52393	0.7
121.02969	2.8
148.01636	1.0
151.00374	10.0
163.00410	1.9
178.99849	5.4
211.04042	0.9
227.03412	1.3
229.05049	1.1
243.03009	5.3
245.04491	1.9
254.02126	1.1
255.02974	14.3
256.03290	2.1
271.02475	28.6
272.02850	2.7
283.02576	1.9
299.01950	0.9
300.02756	63.3
301.03479	47.4
302.03909	4.6
331.89041	0.8
383.32056	0.8
421.37820	0.9
447.09329	100.0
448.09619	15.2
449.10114	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	729.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.8
59.01379	31.1
71.00012	1.4
71.01380	17.7
72.99326	1.5
73.02939	0.9
83.01394	1.1
83.31671	0.6
85.02953	4.3
87.00867	0.9
88.98824	0.7
89.02446	22.3
95.01380	1.6
101.02443	15.2
101.03087	1.2
101.24821	0.6
109.02897	0.9
113.02448	8.8
119.03501	10.0
119.05012	3.4
125.02451	5.4
131.03423	0.7
135.02950	0.7
137.02435	1.1
143.03465	1.0
151.04012	1.5
161.02419	1.4
163.04018	2.2
176.61238	0.6
179.05522	0.9
179.11990	0.7
211.86613	0.6
218.22903	0.6
221.11607	0.6
239.60826	0.6
242.53307	0.6
243.02870	0.7
255.02843	0.7
256.36157	0.6
289.07178	1.0
311.10825	0.6
323.13449	100.0
324.13797	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	725.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
58.00605	0.4
59.01385	100.0
60.01712	1.1
61.98839	6.3
62.60089	0.3
71.01396	2.2
73.02959	1.0
85.02966	0.5
88.32909	0.3
89.02456	1.5
95.58267	0.3
100.26949	0.3
101.02480	1.0
109.02980	0.3
113.02457	0.9
114.64931	0.3
119.03509	0.6
121.02947	1.6
125.06145	0.4
168.54971	0.3
180.41859	0.3
191.48216	0.3
209.04596	1.3
209.11807	0.9
211.13458	2.1
229.14529	0.4
253.09467	0.6
273.22278	0.6
277.21735	39.4
278.22079	4.9
279.22900	0.6
291.23318	5.4
292.23804	0.5
295.22699	1.4
301.21606	0.5
319.22864	1.7
320.23193	0.4
405.21423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98834	100.0
62.98542	0.2
69.57556	1.0
71.01426	0.2
72.99332	0.2
75.00877	3.6
76.01242	0.2
89.02421	0.2
110.27419	0.2
114.98444	0.1
116.92902	0.2
163.50014	0.2
179.73320	0.1
209.11855	0.7
209.13602	0.1
210.12207	0.3
216.26152	0.1
277.21799	0.5
278.22150	0.4
279.23227	0.8
280.23730	0.4
488.31860	0.2
726.41968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12709	0.4
51.26465	0.4
55.01878	0.5
57.03417	0.9
58.00594	1.2
59.01381	30.2
60.01703	0.5
69.46540	0.5
71.00990	1.0
71.01385	18.8
71.63682	0.7
72.01734	0.6
72.99305	1.6
73.02954	0.9
82.60493	0.4
83.01379	1.5
85.02950	3.8
86.86461	0.4
87.00867	1.3
88.15028	0.5
89.02450	21.1
93.03452	0.5
95.01374	1.7
95.05026	0.5
97.02921	0.5
99.00885	0.8
101.02444	15.8
105.08144	0.4
108.02167	0.4
109.02959	1.6
111.00892	1.3
113.02448	8.5
119.03498	9.5
123.04514	1.4
125.02462	5.1
126.02789	0.4
131.03491	0.9
131.27531	0.4
135.04539	3.6
137.02461	2.1
143.03514	1.0
149.02448	0.6
151.04002	1.2
161.02417	2.0
161.04567	0.8
161.05946	0.6
161.08192	0.8
165.01941	1.2
167.03490	0.7
177.01912	0.6
179.03511	5.5
179.05577	1.2
182.85341	0.4
183.02940	1.2
187.04080	0.7
188.04822	0.5
195.06613	0.9
213.73181	0.5
221.04384	0.8
245.08205	0.9
255.03105	0.4
281.06680	1.9
289.07172	5.2
290.07556	1.6
291.07697	0.6
311.07553	0.5
323.13461	100.0
324.13815	6.9
389.03506	0.5
401.10901	0.8
437.10980	0.7
449.72806	0.6
725.18695	0.7
726.21979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01380	30.2
61.98517	2.4
61.98831	44.4
69.35631	2.8
69.36036	10.2
71.01379	8.5
72.99298	1.5
73.02953	1.8
79.94901	1.4
83.01366	2.3
85.02966	3.6
87.00840	2.5
89.02421	7.1
95.05016	1.7
97.06581	3.6
101.02457	7.3
113.02436	3.0
119.03474	1.5
125.02452	3.6
137.02432	2.2
143.28104	1.7
151.11290	16.7
167.03503	1.5
169.12338	95.7
170.12654	5.1
195.13977	3.3
202.54849	1.5
213.11243	11.0
223.13272	2.0
224.88934	1.3
253.09221	3.5
256.62454	1.5
279.23166	3.5
280.23691	2.2
293.21243	14.7
371.27808	1.7
397.13232	1.7
398.13702	2.9
431.19080	2.5
449.20227	7.6
725.41205	100.0
726.41583	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	725.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01519	1.6
59.01384	100.0
61.98836	32.9
63.30865	1.2
70.26927	4.5
71.01385	5.5
72.99285	1.5
73.02945	6.3
78.95908	2.9
79.14053	1.3
85.02975	2.1
86.23029	1.5
89.02460	2.7
101.02470	1.8
107.73875	1.3
113.02432	2.2
116.92866	1.5
117.26991	1.4
125.06148	1.6
130.53981	1.4
138.97887	1.3
139.17270	1.3
152.99583	4.1
161.04573	1.4
165.09222	5.6
171.10277	3.1
209.11836	24.3
210.12209	1.9
227.12871	4.2
263.23776	2.9
275.23834	2.5
277.21655	5.3
278.22131	1.7
279.23279	62.5
280.23672	4.3
293.24899	42.5
294.25220	6.2
303.23251	4.0
321.24271	13.3
351.25436	1.8
479.64401	1.5
502.92831	1.6
586.52606	1.6
643.09125	1.5
725.42169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82345	0.7
57.03449	5.8
59.01368	1.1
70.13683	1.8
70.14076	1.5
71.01398	1.0
81.03448	3.1
83.01389	3.9
83.05009	0.9
93.03465	2.3
95.01393	2.6
95.05021	1.3
97.02963	3.8
98.19905	1.3
99.00873	0.8
109.02956	14.6
111.04504	2.4
121.02937	3.6
123.00887	4.8
123.04508	3.4
124.01640	2.3
125.02447	74.7
126.02784	2.5
135.04498	1.9
137.02441	28.3
138.03191	0.9
139.04005	15.4
141.01933	1.3
142.62816	0.8
149.02451	1.7
149.06044	1.0
151.03998	2.7
153.01944	2.4
159.04506	1.6
161.02454	5.2
161.05928	1.0
164.01155	6.2
165.01926	19.6
166.02650	3.2
167.03491	14.8
173.06049	1.3
175.03969	3.2
175.07776	0.9
176.01118	1.3
177.01915	3.0
177.05551	3.4
178.02756	0.9
179.03474	13.2
183.03009	11.9
183.23770	0.8
184.58867	0.9
189.01967	1.0
189.03862	1.0
191.07129	2.5
193.05060	0.9
201.05684	1.3
203.03459	3.7
203.06964	0.8
204.04204	2.4
205.04996	1.3
207.65707	0.8
217.05110	1.0
219.06653	9.5
221.04539	4.4
234.51706	0.9
243.06689	1.0
245.08203	0.9
255.05128	1.3
261.07584	3.9
273.06223	6.7
287.05594	2.1
289.07169	3.7
305.06674	100.0
306.07028	9.4
345.06119	2.6
393.08160	1.2
425.09506	0.9
435.09283	3.1
436.09390	0.9
451.10547	1.1
465.08063	1.0
573.12024	1.4
680.47528	1.1
725.17950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	15.1
59.01373	7.3
61.08288	1.7
61.98837	23.2
69.03455	4.3
69.53516	11.8
71.01383	7.6
81.03455	5.8
83.01398	18.6
89.02468	1.9
93.03452	3.5
95.05032	4.8
97.02962	5.0
98.19865	3.5
99.04520	3.9
101.02450	5.4
107.05013	2.8
109.02975	8.6
111.00884	2.9
113.02459	1.9
116.05149	2.2
121.02934	4.4
122.03771	1.9
123.04520	1.9
124.01633	2.1
125.02459	63.5
125.03394	3.1
137.02452	100.0
138.02838	4.1
139.04005	5.1
140.96114	2.0
149.02393	8.9
151.04008	7.7
153.01950	3.4
161.02417	4.1
163.00404	3.3
163.04034	2.3
163.07806	2.0
164.01161	4.0
165.01930	15.8
166.02675	5.1
167.03519	22.1
167.04924	2.9
179.03477	5.6
181.05061	7.0
183.04504	1.9
185.05965	3.0
187.03944	3.4
188.04695	2.1
189.05449	2.4
191.03481	2.7
196.05284	1.8
197.06042	5.3
199.03955	3.1
201.05533	6.5
201.27313	1.7
209.06108	2.3
211.03979	7.3
212.04790	4.3
213.05585	18.0
215.03497	7.2
217.05055	7.1
224.04897	2.3
225.05592	20.0
226.06136	2.9
227.03455	6.9
228.04263	2.0
229.04993	5.0
231.06622	2.8
236.04755	2.7
237.05597	3.1
239.03433	3.6
239.07080	3.9
240.04309	2.7
241.05074	62.1
242.05498	8.4
243.02844	2.7
247.07820	2.2
249.05548	6.2
251.03484	8.1
251.07130	4.2
252.04117	4.3
253.05066	21.7
254.05684	3.2
257.04514	9.0
258.05243	4.0
259.06091	5.4
261.05493	3.9
262.06424	3.1
263.07095	2.8
264.04318	3.7
265.05084	7.7
265.08716	2.1
267.06573	3.3
269.04590	22.2
270.04947	3.8
273.05597	2.3
275.07166	3.4
277.04865	2.6
277.08917	2.4
279.06644	4.6
280.87836	1.9
281.04559	15.6
281.07614	2.7
282.05142	3.6
291.06635	8.8
292.07245	2.3
293.04556	4.6
293.07959	4.3
295.06158	4.3
297.07477	2.3
303.06488	5.3
304.07169	2.5
305.08081	5.3
307.06104	2.6
309.07913	2.8
311.09183	1.9
315.06693	4.0
317.04401	3.1
317.08023	4.5
319.06088	4.1
321.07547	5.0
323.05710	2.1
329.08463	3.9
331.06204	3.0
333.07831	9.1
334.08237	2.6
335.05630	5.5
335.09268	4.0
337.07202	2.7
339.08649	3.2
343.05768	3.6
345.07642	6.5
349.07126	7.5
351.08640	2.4
357.07886	2.2
359.05618	5.2
361.07147	5.8
363.08878	6.0
364.08990	1.9
365.06537	2.6
375.08789	4.1
377.06723	16.8
378.07156	2.1
379.08417	11.2
389.06741	10.4
391.07999	2.7
399.08459	2.0
401.06656	7.1
407.07758	33.4
408.08075	2.2
419.07855	8.3
425.08905	4.4
437.68622	2.2
449.10843	2.2
459.10880	3.4
483.11157	4.3
501.12329	5.5
503.25223	2.4
504.14322	1.9
527.09680	6.7
545.10962	22.9
546.11383	3.4
563.11951	23.1
564.12457	2.2
569.12854	2.3
587.14124	34.8
588.14301	5.1
629.96954	2.4
707.15924	3.7
725.17255	79.2
726.17432	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	725.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	17.2
59.01374	7.2
61.98830	35.2
69.03482	5.5
69.62380	14.0
71.01376	8.4
81.03469	7.5
83.01393	19.3
88.98766	3.5
89.02464	3.8
93.03451	6.7
95.05028	5.8
97.02966	4.9
99.04507	3.1
101.02425	6.7
105.03456	2.6
108.02164	4.0
109.02949	14.5
111.00883	6.2
113.02429	2.7
121.02961	7.5
123.04559	2.6
125.02446	71.0
126.02767	3.4
137.02444	100.0
137.60718	2.5
138.02740	3.1
139.03969	2.6
149.02441	8.9
151.03995	9.3
152.01147	2.3
153.01956	6.7
161.02434	4.7
163.00319	5.2
164.01143	4.6
165.01910	22.1
167.03488	24.4
177.01956	2.6
179.03590	5.4
181.05016	7.8
185.05998	3.6
188.04781	3.5
189.05591	3.6
197.06036	3.2
201.05582	3.7
211.04013	5.8
213.05583	15.8
215.03511	6.3
217.05022	3.7
221.88475	2.4
224.04793	2.6
225.05550	19.8
226.06192	2.6
227.03493	7.0
227.06982	3.0
229.05133	6.6
231.06551	3.0
237.05548	3.5
239.03532	4.6
240.04182	4.1
241.05046	71.6
242.05630	4.8
243.02870	5.3
249.05437	5.1
251.03560	8.4
251.07306	3.0
253.05040	18.4
254.05550	3.5
255.03018	2.7
256.03763	3.1
257.04553	11.7
259.06055	4.0
261.05743	3.0
263.07147	4.0
265.04993	7.4
267.06683	5.3
269.04575	21.0
270.05206	4.8
270.31595	2.4
275.07123	3.0
277.05133	5.8
279.06448	4.9
281.04672	15.3
289.07217	5.9
291.06625	7.7
292.07233	2.7
293.04773	3.7
293.08160	4.1
298.26474	2.6
303.06641	8.0
305.04605	3.2
305.07993	3.9
315.06882	6.3
318.05170	3.0
319.06342	4.8
321.07712	3.6
331.06122	5.2
333.04102	3.8
333.07791	8.4
335.05664	5.7
335.09283	4.8
337.07217	4.1
345.07825	4.6
349.07104	7.1
351.08771	4.5
359.05640	3.7
361.07043	6.8
363.08847	8.9
377.06555	14.5
379.08212	10.4
389.06763	8.0
401.06760	6.5
407.07693	31.4
408.08325	4.9
419.07867	9.4
425.08710	3.3
483.10876	4.4
501.11832	2.8
527.09814	6.5
545.10889	24.4
546.10699	6.1
563.12061	21.8
569.12445	2.8
586.04163	2.7
587.14258	29.1
588.14734	4.9
662.28992	4.7
707.15588	4.4
725.17059	77.1
726.17883	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	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72655	0.4
57.03437	0.5
59.01381	9.4
61.98830	16.4
63.43260	0.4
69.03454	0.8
69.46197	3.5
71.01377	5.6
73.02951	0.7
80.02688	0.8
81.03478	1.2
83.01381	0.7
83.05023	4.7
84.02155	0.7
85.02959	1.0
87.00883	1.0
89.02438	3.8
93.03484	0.4
95.05049	0.5
98.19932	0.9
101.02448	4.5
111.08131	0.5
113.02460	2.9
119.03508	0.8
119.05092	0.5
125.02402	0.9
125.06079	0.7
125.19119	0.4
145.02985	0.8
151.00369	0.9
154.13206	0.4
161.04587	2.0
163.11292	4.1
165.12814	2.2
167.10748	0.7
167.14461	0.7
178.99826	0.7
181.12340	0.6
183.13887	5.2
191.10751	1.2
193.12366	1.3
195.13904	5.1
205.12224	0.7
209.11823	100.0
210.12152	5.9
211.13382	86.5
212.13722	6.2
223.13329	2.5
225.11102	0.4
226.02724	0.7
227.03508	0.9
227.12888	10.3
228.13205	0.6
233.15485	1.5
235.08243	4.5
243.02959	1.8
253.09285	19.9
254.02196	0.8
254.09697	1.2
255.03008	3.5
256.13190	0.6
271.02454	7.8
272.02814	0.8
275.20117	4.3
276.20578	0.5
277.21707	56.2
278.22083	5.4
284.03333	0.8
285.03992	1.6
293.21219	52.9
294.21564	5.4
300.02731	7.3
301.03430	3.6
302.43210	0.4
362.61771	0.5
437.12088	0.6
445.20651	0.5
447.22397	4.1
448.22763	0.6
463.08145	0.5
487.33820	0.5
529.30048	0.7
531.28693	0.5
723.30078	7.8
723.40668	0.3
724.30603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72655	0.4
57.03437	0.5
59.01381	9.4
61.98830	16.4
63.43260	0.4
69.03454	0.8
69.46197	3.5
71.01377	5.6
73.02951	0.7
80.02688	0.8
81.03478	1.2
83.01381	0.7
83.05023	4.7
84.02155	0.7
85.02959	1.0
87.00883	1.0
89.02438	3.8
93.03484	0.4
95.05049	0.5
98.19932	0.9
101.02448	4.5
111.08131	0.5
113.02460	2.9
119.03508	0.8
119.05092	0.5
125.02402	0.9
125.06079	0.7
125.19119	0.4
145.02985	0.8
151.00369	0.9
154.13206	0.4
161.04587	2.0
163.11292	4.1
165.12814	2.2
167.10748	0.7
167.14461	0.7
178.99826	0.7
181.12340	0.6
183.13887	5.2
191.10751	1.2
193.12366	1.3
195.13904	5.1
205.12224	0.7
209.11823	100.0
210.12152	5.9
211.13382	86.5
212.13722	6.2
223.13329	2.5
225.11102	0.4
226.02724	0.7
227.03508	0.9
227.12888	10.3
228.13205	0.6
233.15485	1.5
235.08243	4.5
243.02959	1.8
253.09285	19.9
254.02196	0.8
254.09697	1.2
255.03008	3.5
256.13190	0.6
271.02454	7.8
272.02814	0.8
275.20117	4.3
276.20578	0.5
277.21707	56.2
278.22083	5.4
284.03333	0.8
285.03992	1.6
293.21219	52.9
294.21564	5.4
300.02731	7.3
301.03430	3.6
302.43210	0.4
362.61771	0.5
437.12088	0.6
445.20651	0.5
447.22397	4.1
448.22763	0.6
463.08145	0.5
487.33820	0.5
529.30048	0.7
531.28693	0.5
723.30078	7.8
723.40668	0.3
724.30603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48104	1.2
57.03454	2.2
59.01385	18.6
61.98835	26.8
70.12140	1.1
71.01385	12.2
73.02949	2.8
73.89423	1.3
83.05042	2.2
85.02963	5.2
87.00885	1.8
89.02427	5.5
92.20088	1.1
95.01437	1.6
97.02979	1.7
98.19842	2.8
99.00885	1.7
101.02438	5.7
102.30493	1.3
109.06568	1.8
113.02463	9.9
119.03561	1.6
123.04477	1.1
123.08161	1.6
124.05296	2.6
129.73109	1.2
135.66116	1.2
139.07666	10.2
143.03523	3.1
151.07608	5.4
161.04578	3.0
163.11290	2.1
179.05664	1.2
179.10802	3.3
185.11891	1.6
193.12311	3.1
199.13422	4.4
205.12373	2.6
207.10213	2.8
209.11781	6.6
211.13333	5.9
221.11646	1.1
223.13371	5.0
225.11324	2.0
227.12895	6.1
228.13399	1.4
229.26793	1.4
241.14432	17.6
242.15016	1.1
246.13364	1.2
253.09268	2.7
267.72556	1.0
277.21729	100.0
278.22113	9.8
279.23215	1.9
285.04242	2.2
291.23373	1.6
293.21359	2.6
385.18686	40.5
386.18857	3.8
403.19714	17.9
404.20081	3.0
583.98273	1.5
642.14764	1.1
722.54120	1.3
723.41504	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	723.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01794	1.0
57.03455	3.1
59.01394	5.0
61.98836	52.2
71.01393	10.0
71.63300	1.1
72.99302	2.0
78.21598	0.8
79.05534	1.8
81.03472	1.8
83.01403	1.4
83.05025	4.0
85.02944	3.6
85.32967	1.0
87.00887	1.3
88.98819	2.1
89.02452	2.0
93.03470	2.4
93.55045	1.0
95.05052	1.8
96.96017	1.4
97.02962	11.1
101.02451	2.4
106.76905	0.9
107.05047	3.6
108.02150	1.1
108.05828	6.9
109.02974	7.5
109.06628	2.5
111.00867	1.5
111.04533	9.6
111.08163	2.4
113.02496	2.1
113.06103	8.3
116.92844	1.7
119.05015	1.8
119.08678	2.4
121.02959	1.2
121.06616	2.8
122.03737	11.7
123.04581	2.4
123.08171	7.0
124.01712	1.2
125.02455	4.3
125.06107	12.1
127.03963	1.0
129.27486	0.9
135.04494	1.1
135.08148	2.3
136.05295	9.4
137.02466	2.9
137.06136	5.2
138.06877	15.6
139.07672	35.5
141.09247	2.3
147.04652	1.2
148.05305	6.5
149.02443	0.9
149.06062	4.0
151.04050	2.9
151.07657	69.7
152.04822	7.9
152.08456	30.0
153.01953	1.0
153.09235	14.9
155.28586	1.0
159.11829	3.0
160.01682	1.1
160.04041	15.2
161.02437	1.8
161.09732	5.9
163.07668	7.7
165.01900	2.5
167.07162	3.5
170.05942	1.2
175.04062	1.8
185.09674	1.3
186.10458	1.3
188.08437	1.1
189.09204	3.1
201.11130	1.5
201.12865	21.6
202.13144	1.4
203.07053	1.3
203.10791	11.2
204.11554	38.4
205.05013	1.7
205.11964	1.9
219.13899	59.7
220.14177	4.5
245.08109	1.1
251.48358	1.0
263.12894	100.0
264.13187	10.6
279.12448	1.7
283.54721	1.1
285.03976	1.4
289.07193	2.3
346.82990	1.0
357.27243	1.0
531.31903	2.7
643.37128	3.5
660.27295	1.2
661.28558	4.2
661.38452	1.6
723.35217	3.0
724.35754	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.0
59.01386	14.1
61.98837	18.1
63.02404	0.7
65.00345	1.3
69.03448	0.8
69.34246	5.8
71.01381	3.6
72.06308	0.6
73.02974	0.7
73.54460	0.6
80.02681	0.9
81.03455	1.1
83.01405	1.5
83.05035	3.0
85.02976	1.0
89.02451	2.7
95.05077	0.6
101.02456	3.2
105.03386	0.7
107.01388	3.3
108.02190	1.4
109.03008	1.3
113.02456	2.2
119.03513	1.1
121.02966	2.4
125.02442	1.2
135.00858	1.5
137.02496	0.7
142.69055	0.8
145.03027	0.9
148.01672	1.0
151.00383	12.0
153.01869	0.7
161.04564	2.2
163.00392	3.2
163.11316	2.3
165.12781	1.0
178.99834	6.3
181.12459	0.8
183.13905	4.6
187.03941	0.7
191.10860	0.7
193.12360	1.1
195.13863	3.4
199.04018	1.6
201.05556	0.8
209.11841	67.6
210.12241	3.3
211.03989	1.3
211.13396	64.3
212.13748	3.2
215.03593	0.8
216.04185	0.8
223.13396	2.0
226.02734	5.6
227.03477	5.2
227.12863	5.4
229.04866	1.1
233.15500	7.0
235.08264	3.1
243.02995	21.2
244.03404	3.0
245.04506	1.2
253.09297	13.0
254.02286	6.2
255.02991	28.8
255.05685	1.4
256.03372	3.0
256.13275	0.8
271.02481	95.0
272.02908	10.8
273.04034	1.6
275.20242	4.0
277.21725	35.1
278.22165	2.2
283.02383	1.6
285.04187	1.3
293.21234	42.5
294.21567	3.0
297.98834	0.8
299.02121	1.4
300.02765	100.0
301.03461	42.6
302.03778	3.3
327.81653	0.8
343.04492	1.2
403.07449	0.8
445.21310	0.9
447.22351	2.1
463.08749	3.1
723.30237	90.0
724.30566	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
61.98834	9.0
62.92928	0.5
63.02405	0.7
65.00340	1.9
66.16639	0.5
71.01389	1.5
71.63037	0.5
73.02958	0.6
81.96943	0.4
81.98759	0.5
83.01412	1.3
83.05047	1.8
84.02241	0.5
85.02961	0.7
87.00885	0.6
89.02462	1.2
95.05077	0.5
95.97770	0.4
101.02456	1.6
107.01398	3.5
108.02184	1.6
109.02969	1.1
113.02463	0.9
116.92936	0.7
121.02970	1.4
123.16552	0.5
125.02447	1.0
125.37483	0.4
135.00793	0.9
135.55611	0.5
135.56583	0.5
148.01686	1.0
151.00385	10.6
161.02431	0.5
161.04547	0.8
163.00351	2.6
163.11330	1.4
164.01105	0.7
165.12779	0.8
169.01451	0.8
178.99870	4.8
179.53757	0.5
183.04634	0.6
187.03992	1.2
189.01964	0.7
192.00616	0.6
199.04018	1.4
201.01953	1.1
202.02911	0.5
207.10251	0.8
209.11844	37.1
210.12157	2.0
211.03969	1.1
211.13454	1.3
215.03476	0.6
216.04265	1.4
226.02739	6.0
227.03531	5.8
227.12907	5.0
228.03944	0.5
228.13185	0.5
229.01617	0.5
229.05090	0.7
235.08241	3.0
243.02989	18.9
244.03404	1.5
245.04472	0.7
253.09352	4.6
254.02225	5.3
255.02982	29.0
256.03345	2.5
271.02484	88.9
272.02933	8.8
273.03958	1.0
277.21729	46.6
278.22037	3.9
283.02505	1.2
285.04037	0.9
293.21185	0.8
299.01947	1.4
300.02762	100.0
301.03455	32.7
302.03830	2.3
309.57394	0.6
343.04672	0.8
463.08945	5.1
591.07611	0.4
625.03192	0.5
723.30219	76.2
724.17566	1.1
724.30524	21.4
732.22308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.2
59.01375	1.7
68.99831	0.5
69.03481	0.8
69.60487	4.2
71.01380	1.9
78.29680	0.5
81.03464	2.6
82.06782	0.7
83.01397	4.6
85.35844	0.6
87.00911	0.6
89.02462	1.1
91.90844	0.5
93.03473	5.2
95.01445	0.9
95.05014	2.5
96.95994	0.8
97.02950	5.8
98.20589	0.8
99.04539	0.6
101.02463	1.0
107.01382	0.6
107.05026	1.3
108.02161	1.4
109.02962	22.6
110.03262	0.7
110.84501	0.6
111.00870	0.6
113.02426	0.7
117.03456	0.9
119.05039	1.1
120.02142	0.6
121.02973	4.2
121.03700	0.7
122.03757	1.4
123.00881	1.0
123.04528	16.1
124.01625	1.1
124.04899	0.6
125.02459	36.0
126.02763	0.9
133.02948	2.6
134.03798	0.6
135.04524	2.4
137.02455	17.8
138.02754	0.8
139.04036	3.5
143.05017	1.4
145.01468	0.6
145.02965	2.1
147.04509	1.3
149.02448	6.4
150.03220	0.7
151.00365	2.6
151.04010	10.1
159.04538	3.2
160.05325	0.7
161.02483	7.0
161.06088	4.4
162.03178	2.2
163.00354	2.3
163.04045	4.1
164.01172	10.4
165.01967	6.2
166.02658	1.1
167.03514	1.4
169.01474	1.4
169.06667	0.7
171.04533	0.7
173.06073	1.1
174.03230	0.8
175.04039	5.6
175.07637	1.6
177.01884	4.0
177.05461	0.9
178.02626	0.8
179.03494	5.6
181.06528	0.9
183.02995	1.4
185.06143	3.0
187.03996	5.8
188.04857	3.5
189.05525	1.3
199.03998	1.4
199.07590	1.4
201.01805	0.7
201.05617	1.6
202.06364	1.5
203.03622	1.0
203.07144	12.6
205.01422	1.8
205.05046	7.2
209.06111	1.4
211.04079	1.5
213.05530	1.3
215.03522	1.3
217.05055	0.8
221.08234	1.8
225.05708	0.8
227.03560	1.7
227.07031	2.8
228.04231	1.4
229.05151	3.7
230.05687	0.8
231.02991	1.4
231.06580	0.9
241.05009	1.5
243.02876	1.5
245.08185	14.3
246.08542	1.7
247.06049	1.4
253.05080	20.9
254.05371	2.0
255.02998	3.4
255.06557	2.8
256.03745	2.2
257.04471	1.0
265.03818	2.1
265.23862	0.6
266.04126	1.4
267.02866	0.9
267.06662	1.1
269.04544	1.2
270.05402	0.8
271.06284	9.3
273.04358	1.0
273.07675	3.4
280.06235	1.7
281.04489	1.9
283.02466	0.8
284.03439	0.7
285.04053	1.7
289.07193	100.0
290.07550	9.1
293.08176	1.6
295.02435	0.8
295.05914	0.8
297.04218	1.4
313.03647	1.0
329.06656	1.7
331.08517	0.6
339.08560	1.3
363.97617	0.7
381.10010	1.9
391.07953	1.3
405.65152	0.6
407.07687	18.2
408.08231	2.5
417.09930	3.5
418.10413	0.7
419.07681	2.2
425.08905	2.2
431.07553	1.2
433.11633	9.0
434.12094	1.2
435.10822	9.8
436.11203	1.5
499.14014	1.7
525.11969	14.8
526.12097	2.0
543.13092	5.5
544.13123	0.7
597.16248	4.7
723.19244	6.5
724.20251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1722
Annotation	Kaempferol 3-(3'',4''-di-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
63.02399	1.5
69.56644	1.2
69.57048	4.6
70.76818	0.7
72.52650	0.7
80.31911	0.8
85.31329	0.7
93.03496	2.4
97.40935	0.7
98.19866	1.5
101.51738	0.7
107.01388	3.3
109.02967	1.1
117.03467	19.6
118.56695	0.7
119.05045	16.0
120.04568	0.8
120.49626	0.7
121.02940	1.5
123.04544	0.8
128.48763	0.7
131.05043	0.9
135.00854	1.4
143.05043	1.4
145.02963	59.9
146.03308	3.0
151.00395	4.7
157.06599	1.3
159.04524	4.5
161.06044	0.9
162.03230	2.1
163.00368	2.4
163.04033	18.4
163.05377	1.0
164.01155	1.2
164.04533	1.0
169.06654	1.1
183.04507	1.8
185.06104	2.6
187.04016	16.2
189.05560	0.9
195.04507	1.1
199.04016	1.6
201.05736	1.0
211.04031	3.0
212.04814	1.0
213.05534	1.7
227.03542	13.2
228.04059	0.8
229.05045	9.9
239.03511	2.1
240.04228	1.0
241.05058	1.4
255.02998	24.5
256.03568	2.5
257.04596	4.9
273.07709	4.6
274.08105	0.9
274.85602	0.9
283.02463	4.7
284.03259	23.4
285.04056	100.0
286.04434	7.8
291.08755	2.6
413.08820	1.1
437.12430	22.3
438.12698	3.1
559.12488	3.5
577.13489	6.6
723.17139	14.9
724.17786	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	723.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18703	0.7
63.02400	1.6
65.00330	1.0
70.05471	3.0
72.89861	0.6
78.89662	0.6
79.46655	0.6
83.01373	1.4
93.03481	2.7
107.01393	3.3
109.02960	1.4
117.03481	20.3
118.03777	0.9
119.05037	16.1
121.02957	1.4
123.04504	0.8
131.05043	0.8
135.00871	0.9
138.04163	0.7
140.01320	0.7
143.05029	1.1
145.02965	67.5
146.03296	3.1
151.00352	4.6
157.06648	1.2
158.03746	1.2
159.04518	3.8
161.06096	1.2
162.03152	1.0
163.00371	2.1
163.04022	17.4
164.01190	1.0
169.06560	1.3
171.04420	1.0
177.10295	0.8
183.04532	1.2
185.06111	2.5
187.04008	14.7
188.04427	0.9
189.05592	0.9
199.04108	1.2
201.05553	1.1
211.04076	3.4
213.05600	1.1
218.60187	0.9
227.03534	13.8
228.03865	1.4
229.05069	9.5
239.03520	2.4
241.05159	1.4
255.02986	28.6
256.03531	3.3
257.04559	6.7
273.07715	3.5
283.02551	6.1
284.03278	25.9
285.04062	100.0
286.04404	7.4
291.08734	1.1
321.44821	0.8
354.24240	0.8
437.12418	23.1
438.12814	3.1
559.12823	3.0
560.12695	1.5
577.13556	4.8
723.17291	15.9
724.17523	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	723.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17246	0.6
63.02404	1.2
65.00321	0.8
82.98445	0.6
83.01383	1.0
93.03474	2.7
98.20646	1.2
107.01392	2.7
109.02957	0.7
112.52847	0.6
117.03475	21.7
119.05031	14.1
120.05377	0.6
121.02946	1.5
130.04219	0.9
131.05020	1.5
133.03023	0.7
135.00938	1.1
143.05049	1.6
145.02963	61.4
146.03297	2.8
151.00383	4.5
157.06589	0.8
158.03687	0.9
159.04497	4.4
161.06148	0.8
162.03185	1.5
163.00401	2.3
163.04031	17.1
169.06555	1.1
171.04599	0.7
183.04510	1.8
185.06070	2.3
187.04024	12.5
189.05565	1.3
195.04594	0.9
199.04138	0.9
201.05560	1.1
209.17523	0.6
211.04033	2.0
211.07588	0.7
213.05582	1.7
219.54100	0.7
227.03532	12.5
228.03830	0.8
229.05061	10.2
229.23064	0.7
239.03479	1.3
241.05049	1.2
255.03004	25.2
256.03476	2.8
257.04550	6.3
267.03210	0.7
273.07706	5.7
274.07996	1.2
275.09314	0.7
283.02512	4.9
284.03299	23.8
285.04059	100.0
286.04419	8.6
291.08798	3.0
437.12430	25.3
438.12680	4.9
559.12195	3.7
560.12732	0.8
577.13416	5.6
578.13812	1.2
676.32263	0.8
708.21741	0.7
723.04834	1.2
723.17206	15.9
724.17212	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	723.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76839	0.4
59.01385	0.4
61.98827	5.7
63.02402	2.5
65.00317	2.6
69.96252	2.3
70.00306	0.4
83.01398	1.8
89.03989	0.6
92.57621	0.4
93.03461	3.6
95.01382	0.5
98.20537	0.6
107.01401	5.1
108.02165	0.7
109.02953	1.0
117.03475	32.2
118.03807	1.1
119.05032	22.7
120.05380	0.9
121.02970	1.5
123.00847	0.5
123.04540	0.7
125.02456	0.5
131.05023	0.7
132.02223	0.6
133.02902	0.7
135.00861	2.2
143.05016	1.4
145.02960	82.1
146.03307	3.6
148.13412	0.5
151.00377	7.5
152.00751	0.5
154.04250	0.7
156.05733	0.4
157.06592	0.8
159.04517	2.6
161.06160	0.5
162.03227	1.0
163.00423	3.0
163.04019	16.9
163.05396	1.0
164.01118	1.5
164.04425	0.7
165.01889	0.5
167.04965	0.7
169.01471	1.0
169.06609	1.3
171.04529	1.1
178.99792	0.6
182.03738	0.5
183.04520	2.5
184.05312	0.7
185.02432	0.6
185.06107	2.5
187.04007	5.9
189.05594	1.2
190.99951	0.5
196.05232	0.7
197.06136	0.7
199.03951	1.0
200.04599	0.5
201.05559	1.0
211.04015	3.9
211.07599	0.7
212.04723	0.9
213.05573	1.9
214.02628	0.6
215.03474	0.6
227.03505	34.2
228.03889	2.0
229.05064	10.5
229.08597	0.6
230.05457	0.7
239.03522	2.3
240.04294	1.0
241.05017	1.3
243.02910	0.7
247.13388	0.6
255.02989	57.3
256.03577	9.0
257.04535	6.8
258.04904	0.6
267.03018	1.2
268.03806	0.6
273.07697	2.9
283.02518	3.9
284.03262	68.8
285.04034	100.0
286.04385	9.2
291.08859	1.0
395.07675	1.5
413.08820	1.1
437.12436	11.0
438.12717	1.5
559.12439	16.4
560.12738	3.0
577.13562	5.2
578.13947	0.9
723.17200	62.6
724.17535	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	723.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40936	0.4
61.98832	3.6
63.02406	3.1
64.33072	0.4
65.00337	1.8
68.21955	0.4
78.97587	0.5
83.01398	1.9
93.03458	3.7
98.19812	0.7
107.01395	5.9
109.02934	1.3
117.03478	32.8
118.03819	1.4
119.05036	22.9
120.05393	1.0
121.02967	1.8
123.04507	0.7
130.04306	0.4
132.02197	1.2
133.02972	0.7
135.00887	2.0
141.07156	0.5
143.04991	1.5
145.02965	85.3
146.03313	3.9
151.00380	8.6
155.05037	0.8
157.02921	0.5
157.06538	1.1
158.03687	0.6
159.04535	2.4
162.03198	1.3
163.00412	2.9
163.04025	16.9
164.01144	1.0
164.10236	0.5
167.05110	0.6
169.01410	1.3
169.06625	0.7
171.04504	1.1
173.06136	0.9
175.04008	0.6
178.99883	0.7
183.04509	1.8
184.05386	0.6
185.06123	2.7
186.82726	0.5
187.04002	5.5
189.05583	1.5
195.04501	0.8
197.05963	0.6
199.03984	1.7
200.04771	0.7
201.05583	1.3
210.03088	0.6
211.04012	3.8
212.04924	0.6
213.05542	2.2
214.02689	0.9
227.03511	32.2
228.03925	2.3
229.05038	9.9
229.08649	0.9
229.17630	0.6
230.05444	0.8
239.03505	2.2
240.04126	1.0
241.05013	1.4
255.03001	59.7
256.03641	9.9
257.04547	6.7
258.04892	0.8
267.02951	1.2
273.07529	2.2
283.02487	4.5
284.03281	72.4
285.04047	100.0
286.04434	7.7
291.08804	1.3
391.76794	0.5
395.07806	0.9
413.08774	1.2
437.12405	10.4
438.12912	1.0
559.12427	16.6
560.12811	3.5
577.13513	5.6
578.14294	1.0
723.17212	57.1
724.17542	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	722.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01403	0.4
61.98849	0.5
70.22470	0.6
70.22866	0.6
71.01404	0.5
83.01404	0.4
97.02956	0.3
98.19989	0.3
101.57503	0.3
102.71196	0.3
109.02974	1.2
114.05632	0.4
121.02912	0.4
123.04543	1.0
124.01740	0.3
125.02467	3.4
133.02975	0.5
135.04523	0.4
137.02440	1.9
145.42332	0.3
149.02455	0.5
150.50339	0.3
151.00352	0.7
151.04016	0.9
159.64421	0.3
161.02451	1.4
164.01208	0.6
165.01888	0.9
166.02397	0.3
167.03461	0.4
175.04021	0.5
177.02000	0.4
179.03397	0.3
181.05321	0.9
183.03102	0.3
187.04028	0.4
193.05225	0.4
203.03786	0.3
203.07085	0.6
205.04980	0.4
219.03017	0.4
236.03494	2.0
237.04268	2.6
245.08255	0.9
249.04259	0.4
253.05215	0.5
264.03122	1.6
265.03799	100.0
266.04138	9.6
268.03879	0.6
273.03656	0.3
277.03857	0.7
280.06146	69.3
281.03372	0.2
281.06467	7.4
289.03952	0.4
289.07138	6.4
289.10178	0.5
292.06366	0.3
295.04889	6.0
296.05475	1.0
306.98547	0.3
308.05701	2.5
310.07230	4.0
311.07578	0.5
336.04852	0.8
342.06262	0.7
354.06149	10.6
355.06482	1.5
407.07687	1.1
435.10495	0.5
525.11877	0.8
529.40613	0.3
723.19861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97725	0.5
57.03451	1.0
59.01389	2.6
61.98833	29.0
69.03469	0.7
71.01392	2.9
71.81754	0.5
72.99307	0.8
73.16552	0.5
76.63024	0.5
85.02964	1.3
87.00844	0.5
88.98817	0.9
89.02473	0.9
93.03465	0.9
95.01384	0.8
96.96014	0.6
97.02944	0.7
101.02444	1.3
107.05001	0.9
109.02966	3.3
111.04589	0.5
116.92862	0.7
119.03524	0.8
121.02940	1.6
122.03712	0.7
123.00850	2.8
123.04517	1.5
124.01653	0.7
125.02448	3.4
132.02092	0.6
135.04497	0.7
136.01620	0.7
137.02458	9.8
139.04002	1.0
149.02451	1.1
150.03232	1.1
151.00380	19.7
151.04001	3.1
152.01059	1.8
152.04753	2.2
153.01918	0.7
153.05635	0.5
154.02731	0.5
159.04439	0.5
161.02438	1.0
161.04591	0.8
163.03996	0.9
164.04857	0.9
164.26880	0.5
165.01949	5.2
165.05611	0.6
166.02718	57.1
167.03368	3.6
175.04016	1.7
176.01184	0.8
177.01987	3.2
178.02739	0.7
178.58899	0.5
179.03493	1.7
180.04276	1.7
181.05069	68.8
182.05429	4.0
184.03818	1.2
189.01740	0.5
189.05551	0.5
190.02727	1.0
190.06363	0.8
191.03484	1.1
192.04262	1.3
193.04984	0.8
195.02991	0.8
195.06563	1.5
203.03537	0.6
205.05026	2.0
205.08681	1.1
207.06630	1.4
209.04665	0.7
218.05818	0.5
219.06703	0.7
225.07611	0.8
242.05719	0.5
263.12775	1.0
267.16119	0.5
271.06140	1.2
285.04077	0.7
286.08417	1.5
301.10748	2.8
328.11978	0.5
354.45184	0.6
359.11328	1.5
371.15149	0.9
375.27417	0.6
387.10837	12.8
387.14536	0.5
387.23837	0.7
388.11154	1.7
402.13190	5.1
417.15564	100.0
418.15921	14.0
495.16586	0.8
679.29767	0.6
704.11139	0.6
717.30444	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	718.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.4
57.46122	0.4
61.98831	100.0
64.01089	0.3
69.15896	0.3
84.55981	0.4
102.22312	0.3
111.45395	0.3
127.12508	0.4
137.02507	0.4
143.33429	0.3
151.03957	0.6
151.67264	0.4
209.11908	1.1
211.13525	1.1
212.13811	0.4
238.02237	0.4
242.64101	0.4
298.29395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64368	1.0
55.01865	1.6
55.43995	1.0
57.03452	2.5
58.00588	2.4
59.01382	74.1
61.98831	100.0
63.15319	0.9
68.99840	1.1
69.03432	1.1
71.01385	35.8
71.11858	2.5
72.99313	3.4
73.02944	6.4
78.71797	1.1
81.03479	1.3
83.01381	4.3
83.05025	18.5
85.02956	15.7
85.06593	2.5
87.00885	4.5
88.98813	3.9
89.02445	19.8
95.01382	1.6
97.02962	2.2
99.00858	2.3
99.04507	2.1
101.02451	21.5
101.06120	2.1
108.02164	1.6
111.00864	1.0
111.04518	19.4
113.02463	12.3
116.92904	1.1
119.03514	6.4
121.02969	1.3
121.69543	1.0
123.04526	2.1
125.02460	5.2
125.09689	1.3
127.04009	17.5
127.07649	3.9
129.01920	1.3
129.05576	14.3
129.77750	1.1
137.02403	1.6
138.03244	1.4
139.03992	1.5
139.07706	1.2
141.09238	1.3
143.03484	1.1
149.02498	1.9
150.03233	1.8
151.03967	1.1
152.04782	4.1
153.09198	1.8
156.81612	1.1
161.02411	1.9
161.04567	2.6
165.09326	1.1
173.11938	1.7
179.05545	3.1
191.14418	1.0
219.19901	1.2
250.87328	1.0
282.59454	1.2
285.03824	1.1
289.07156	2.1
322.91415	1.2
367.24957	4.0
374.18387	1.1
385.25931	2.6
420.57919	1.4
438.20010	1.1
453.31906	5.1
473.28146	1.4
479.30069	8.4
491.28433	1.5
529.30334	9.6
530.30396	1.8
547.30872	1.5
563.34106	4.0
575.27008	3.3
589.32245	5.1
615.37421	30.3
616.37769	5.7
621.38239	1.3
641.35419	98.5
642.35974	19.2
657.39197	1.7
659.36206	6.8
689.29755	2.0
701.37622	35.0
702.37946	8.0
719.39594	12.0
720.39386	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	716.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06446	0.6
57.03446	0.5
57.04572	0.6
61.98814	0.7
69.85091	2.0
69.85517	1.0
72.24525	0.5
125.02441	1.2
139.82596	0.6
142.21878	0.5
142.23979	0.5
145.84840	0.5
151.03986	0.8
220.80788	0.6
224.04730	0.6
239.07141	2.3
249.08034	0.5
253.05084	1.3
254.08243	4.6
255.06587	0.5
267.06485	0.8
268.07407	1.7
271.64752	0.6
281.06934	0.6
282.07715	16.3
282.10837	0.9
283.07990	1.5
296.09207	2.5
297.10062	57.1
298.10327	5.4
299.15002	7.0
312.12411	100.0
313.12756	10.5
370.76773	0.5
473.27197	0.5
629.97913	0.7
699.73029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98834	100.0
62.98540	0.2
71.01392	0.1
71.32918	0.1
83.68697	0.1
87.88834	0.1
89.02470	0.1
90.00266	0.1
121.77230	0.1
136.87842	0.1
184.16992	0.1
255.23346	0.2
256.23694	0.3
397.13599	0.1
398.14111	0.1
399.14108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98829	100.0
62.98531	0.2
64.29105	0.1
71.01370	0.1
82.05469	0.1
89.02443	0.1
98.20564	0.2
108.42658	0.1
120.28952	0.1
183.06438	0.1
207.66031	0.1
233.15462	2.2
234.15912	0.4
273.17722	0.1
374.90668	0.1
399.13901	0.1
610.65228	0.2
717.24902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49833	0.6
53.51218	0.6
57.03444	0.8
57.41149	0.5
59.01382	3.9
61.98831	29.5
67.01931	0.6
69.03453	0.9
69.38776	4.7
71.01378	2.6
72.99305	0.6
75.00890	0.7
77.14417	0.5
81.28062	0.5
83.01389	1.4
85.02962	1.4
88.98801	1.7
89.02439	1.6
93.03458	0.8
93.50065	0.6
95.01359	0.6
96.02224	0.5
98.02477	0.6
101.02461	1.7
108.02168	0.9
109.02972	2.8
111.00854	0.9
112.18974	0.6
113.02455	1.6
121.02927	1.3
122.03719	0.7
123.00884	3.2
123.04535	1.4
124.01656	1.1
125.02453	2.4
135.04541	0.8
137.02455	11.7
138.03226	0.6
139.00276	0.8
139.04068	1.4
149.02426	1.7
150.03168	0.7
150.99147	1.1
151.00368	21.3
151.04018	2.6
152.01031	2.3
152.04785	2.1
153.01892	0.8
161.02327	0.9
163.04024	1.0
164.01163	0.7
164.04845	0.9
165.01929	5.0
165.05484	0.7
166.02715	58.1
167.03328	3.3
175.03995	1.8
176.01134	0.8
177.01926	3.4
179.03522	1.8
180.04283	1.1
181.05063	68.6
182.05356	2.7
184.03784	0.9
189.05554	0.8
190.02811	1.2
190.06184	0.7
191.03484	1.4
192.04225	1.2
193.05043	1.4
195.06641	2.1
205.05057	2.1
205.08707	1.1
207.06644	1.2
221.04478	0.6
225.07710	0.8
256.90244	0.7
263.12994	0.7
271.06216	1.8
271.15543	0.7
286.08417	1.0
301.10840	2.0
359.11411	2.2
387.10806	12.0
387.15448	0.9
387.23883	1.4
388.11264	1.9
402.13135	6.2
403.13571	1.3
405.24814	0.8
417.15546	100.0
418.15906	14.1
482.18069	0.6
717.29828	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	713.474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32085	0.5
50.69708	0.5
53.57761	0.5
59.59927	0.5
61.98828	1.3
62.50730	0.5
69.58811	2.0
69.59238	1.7
96.34949	0.5
98.20638	0.7
100.73636	0.5
104.99493	0.5
121.02933	2.3
160.12837	0.5
167.31262	0.6
201.38591	0.6
207.10426	0.5
209.04524	1.8
544.41150	0.6
677.49530	3.2
713.47345	100.0
714.47668	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65968	0.3
59.01378	4.6
60.01714	0.5
61.01820	0.3
61.98831	100.0
63.99243	0.4
71.62901	0.4
72.93569	0.3
78.95930	0.2
100.07200	0.2
116.24739	0.2
124.76913	0.3
133.98965	0.2
277.21909	0.4
278.22101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
59.25018	0.2
60.01720	0.3
60.40464	0.2
61.01787	0.3
61.98832	100.0
62.82912	0.2
62.98537	0.2
70.15713	0.4
70.16107	0.5
75.68583	0.2
78.38079	0.2
78.95902	0.2
105.82851	0.2
111.08208	0.3
161.93207	0.2
173.08273	0.4
253.21739	0.2
277.21854	0.4
278.22177	0.8
279.22406	0.5
493.62003	0.2
714.52753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81723	0.4
55.01878	0.6
55.50840	0.3
56.95993	0.4
57.03445	0.9
57.30350	0.3
58.00581	0.8
59.01380	19.2
59.01677	0.9
61.98833	0.5
71.01386	12.8
72.54415	0.4
72.99311	1.1
73.02960	1.0
83.01394	1.0
85.02954	2.6
85.06591	8.1
86.91917	0.4
87.00878	1.1
89.02449	12.9
91.42413	0.4
95.01404	1.1
96.01787	0.5
99.00840	0.4
101.02444	8.7
109.02974	0.5
111.00878	0.4
113.02458	5.5
113.06089	1.8
115.07664	1.0
119.03510	4.5
119.05077	0.6
123.04483	0.4
125.02451	3.0
126.02759	0.8
127.07687	0.6
131.07143	34.9
132.07457	1.3
137.02449	1.4
151.03900	0.9
161.02431	1.2
161.04520	0.7
163.04004	1.2
173.08128	1.1
175.03970	0.5
177.01924	0.6
177.85797	0.5
179.05695	0.4
243.03091	0.6
250.23735	0.5
255.03001	0.6
283.21646	0.5
287.05237	0.5
289.07104	1.1
293.12424	100.0
294.12778	6.1
298.03214	0.4
323.13498	7.1
324.14148	0.8
330.97247	0.5
332.80890	0.5
407.07730	0.9
408.08005	0.7
410.53220	0.5
561.09070	0.5
695.13837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29793	0.3
59.01377	5.7
60.01684	0.4
61.98831	100.0
65.57710	0.3
70.04948	0.9
70.05367	0.6
76.80891	0.4
85.51920	0.3
87.49580	0.3
93.98028	0.3
99.05954	0.3
145.80949	0.4
157.08713	0.4
277.21765	1.1
278.22141	1.1
279.23001	0.6
422.66489	0.4
695.38232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	17.2
61.98824	0.4
69.33953	3.4
74.43829	0.3
83.89729	0.4
88.98810	100.0
89.49604	0.5
89.99140	1.1
115.38921	0.4
123.00822	0.5
125.02389	0.4
139.44620	0.4
151.00385	0.7
172.68924	0.4
215.49681	0.4
222.00105	0.4
227.03458	0.5
242.02408	0.5
243.02940	3.3
255.02963	2.5
270.01569	0.4
271.02469	6.2
272.03076	1.0
273.91998	0.5
285.04181	1.1
299.01981	5.9
300.02768	6.9
301.03171	0.9
314.04321	8.1
315.05078	16.8
316.05502	1.5
357.05991	0.4
433.07629	1.1
623.16144	31.4
624.16394	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	713.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06499	0.6
56.29749	0.6
59.01377	1.0
61.98830	21.5
62.00301	0.7
69.54594	4.7
74.84493	0.6
85.02918	0.8
88.98798	0.8
93.03416	0.8
98.19905	1.2
101.02436	0.7
102.12173	0.7
111.00900	0.9
121.02945	2.5
122.03764	0.7
123.00879	1.7
123.04514	2.1
124.01633	2.3
124.83081	0.6
125.02460	4.3
134.03731	1.0
137.02423	0.9
138.03209	2.3
139.04010	2.2
145.02934	2.1
149.02490	1.0
150.03185	1.1
151.04005	2.1
153.01874	0.7
153.05544	1.2
159.04538	1.3
161.02429	1.4
165.01857	0.9
173.02415	3.2
174.03221	10.5
175.03999	7.0
177.02025	1.2
181.21635	0.6
187.04025	1.0
188.03314	1.0
188.04758	2.7
189.05565	30.0
190.05966	0.8
200.03481	1.0
201.04256	3.2
203.07213	0.8
214.05037	0.8
218.04568	1.5
229.03665	3.6
230.04561	21.2
231.05037	2.3
232.06113	0.9
243.72076	0.8
244.06125	8.8
245.06703	1.2
251.03441	0.9
252.06763	0.8
263.12814	0.9
265.14426	1.2
269.04440	1.1
276.87802	0.8
280.03513	1.1
283.06146	1.1
285.04141	1.0
289.07230	0.9
295.02466	0.7
295.05923	1.2
297.03979	2.7
298.04437	0.7
308.09326	1.5
310.11063	1.1
311.05563	2.6
312.06287	4.2
313.06830	0.7
324.08664	1.7
326.08014	5.1
327.08676	8.2
328.09222	1.3
336.05145	0.9
336.08618	3.6
338.10367	3.3
340.09879	0.8
341.10245	7.0
342.10849	2.7
343.11636	1.0
351.11304	1.0
352.08142	1.7
352.11902	1.2
358.82410	0.7
366.09790	9.5
367.10504	19.4
368.10959	3.0
380.11316	1.1
381.12207	8.4
382.12967	26.2
383.13248	2.4
384.10867	1.1
486.11700	0.8
490.14832	1.9
492.33328	0.7
504.13150	1.8
505.17722	0.8
518.13831	0.9
519.15430	3.5
520.19958	20.8
521.20416	3.7
534.17535	8.7
535.17883	2.6
550.20886	11.8
551.21301	2.6
713.27124	100.0
714.27448	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	711.469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
59.01381	88.7
60.01713	1.5
61.98834	26.6
69.75577	1.7
69.76003	2.1
71.01395	1.3
78.95915	1.0
85.02979	1.0
98.19921	1.1
101.02487	1.6
102.21022	0.6
104.15097	0.6
113.02468	0.8
116.92929	0.6
121.02959	0.8
152.99658	0.7
277.21719	100.0
278.22031	11.8
279.23276	8.0
280.23706	1.0
281.24738	1.0
335.69357	0.7
378.83209	0.6
384.68842	0.6
391.23248	2.2
711.47021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
60.01709	0.6
61.01793	0.3
61.98830	100.0
66.22244	0.2
70.20132	0.6
70.20538	0.4
77.25475	0.2
79.81557	0.2
98.20000	0.3
175.46962	0.2
183.29033	0.2
186.21619	0.2
197.84634	0.2
219.78996	0.2
247.71867	0.2
278.22177	0.3
279.22354	0.2
307.88098	0.2
336.99194	0.2
530.64081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68118	0.2
59.01379	100.0
60.01720	1.0
61.98830	13.7
65.83105	0.2
70.02257	1.0
71.01363	0.4
72.65547	0.2
85.02960	0.3
113.27219	0.3
277.21707	17.1
278.22107	2.3
279.22675	0.3
359.14285	0.3
447.35074	0.3
461.12512	0.3
464.16080	0.3
624.81647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.1
61.98833	5.1
62.16034	0.2
71.01394	0.7
71.11411	0.3
71.11744	0.4
72.36509	0.2
78.95929	0.4
101.02486	0.3
127.86777	0.2
151.11450	0.2
152.99638	0.4
169.12285	0.3
201.11325	0.3
209.11903	0.4
255.23273	0.6
277.21887	0.7
278.22205	0.5
279.23276	14.8
280.23578	1.7
387.82050	0.2
389.21780	0.5
621.41364	0.3
711.41730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.15332	0.4
60.01712	1.2
61.98829	12.7
63.99255	0.4
69.74773	2.2
71.01375	1.4
77.43892	0.5
78.95903	0.8
85.02953	0.5
101.02464	1.0
116.92860	0.6
155.10858	0.5
161.04578	0.6
255.23390	0.8
265.21820	0.7
277.21710	38.4
278.22046	4.4
299.29773	0.5
391.23517	1.6
600.14191	0.5
708.35394	0.5
711.40332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01356	2.5
59.51512	0.7
61.93287	0.7
61.98524	1.2
61.98832	22.1
62.20324	0.7
70.85294	1.5
70.85610	1.0
71.01364	2.0
72.99339	0.9
78.95902	0.8
83.01372	1.0
85.02954	1.2
88.98753	0.8
89.02438	0.8
93.03472	1.4
96.95992	1.1
101.02441	1.6
103.54563	0.9
108.02145	1.4
109.02938	2.1
113.02459	0.8
116.92883	1.1
117.03480	0.9
118.23674	0.8
121.02946	3.0
123.00875	1.1
123.04500	1.7
125.02412	2.3
134.03705	1.6
136.01672	0.8
137.02428	6.4
138.03143	1.5
145.02957	4.4
149.02432	2.8
150.03157	1.8
151.04037	5.4
153.02007	1.1
160.01648	1.4
161.02344	1.0
163.04027	0.8
164.04771	1.1
165.01855	0.9
173.02432	2.7
174.03227	15.3
175.03978	6.8
176.01280	1.0
188.04803	3.8
189.05562	18.5
190.05856	1.6
192.02986	3.2
200.03485	2.2
201.04286	4.6
203.07106	1.3
205.12285	1.8
207.05304	2.3
208.06049	1.2
214.05022	0.9
228.02974	1.4
229.03734	6.5
230.04510	2.5
242.04515	1.5
243.05287	1.5
244.06094	4.9
245.11792	3.0
249.11227	1.6
257.03162	1.0
289.02249	0.9
289.07266	1.5
352.11777	0.9
363.07574	1.4
365.08911	1.0
380.11133	2.3
432.11078	0.8
485.10995	0.9
486.12030	1.4
490.14810	2.4
500.12854	1.3
502.14825	1.4
503.12253	1.8
517.13904	0.9
518.14551	30.2
519.15051	5.1
532.15668	3.8
533.16608	3.0
548.19354	3.9
681.21173	2.0
696.22552	2.2
711.25537	100.0
712.25934	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48504	1.3
55.01884	2.3
57.03443	1.5
59.01382	37.5
61.98831	30.3
69.03446	1.7
69.35930	13.0
69.36648	1.3
70.14066	1.5
71.01385	30.2
72.99328	1.6
73.02947	4.8
76.94920	1.4
81.03448	1.7
83.01395	3.0
85.02962	4.2
85.52351	1.4
87.00883	11.1
89.02443	22.0
97.02966	4.8
99.00847	1.6
101.02448	21.5
102.41154	1.3
113.02440	8.9
119.03497	6.6
125.02454	10.3
128.53790	1.3
137.02417	2.1
143.03519	4.2
144.28198	1.7
151.04070	1.6
161.04544	3.6
179.05629	3.0
197.11816	2.1
205.88670	1.6
220.89432	1.3
221.06842	1.9
227.59059	1.4
235.08232	11.4
253.09346	1.8
253.21710	77.8
254.22113	7.8
287.07837	2.6
293.21280	1.7
305.08679	4.7
323.09656	2.1
397.13498	100.0
398.13693	8.3
415.14557	28.7
416.14960	1.9
651.35999	2.2
711.36371	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63073	3.4
57.03449	6.3
59.01383	13.0
61.98830	88.7
69.03445	3.4
69.47188	17.1
71.01390	11.1
76.37358	3.0
80.91702	4.0
82.67839	2.6
83.01389	9.7
85.02965	3.3
97.02970	7.2
101.02435	5.6
108.02208	5.6
109.02960	33.0
119.04993	3.7
121.02966	10.5
123.04526	29.6
124.01609	4.6
125.02459	29.2
133.02950	7.4
135.04480	3.0
137.02448	50.4
139.04027	7.7
143.55643	3.2
145.03017	3.4
147.04578	3.8
149.02464	13.1
150.03197	7.3
151.04037	20.5
159.04549	6.4
160.01697	6.2
161.02438	40.8
161.06100	9.6
162.03188	4.6
163.04044	7.7
164.01201	6.8
165.01938	8.4
165.05685	2.9
167.03493	3.2
169.86484	2.8
175.04054	8.6
177.01924	5.8
179.03506	7.1
187.04027	8.0
188.04800	3.4
189.02243	3.8
190.02621	2.9
191.14621	3.5
203.07159	17.5
205.05077	12.6
209.11722	3.4
241.08704	3.7
245.08182	15.5
249.14844	2.9
255.02898	4.3
255.06470	3.0
259.13409	39.1
281.04651	7.2
285.04041	6.5
285.14966	4.7
289.07196	100.0
290.07498	9.1
299.05533	7.0
309.14944	9.1
321.07544	4.2
363.09088	3.3
366.10123	3.4
389.13812	3.9
407.14941	8.3
421.16595	19.1
451.10406	16.6
473.12457	6.5
531.34003	3.6
535.30713	3.6
541.18732	79.9
542.18976	17.3
559.19781	66.3
560.19946	13.5
711.24371	17.0
711.35638	7.7
712.24896	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	709.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	1.2
61.98832	21.9
69.34473	0.6
69.34875	3.3
71.01392	1.8
76.95470	0.4
78.95908	2.0
83.04979	0.5
85.02972	0.7
89.02483	0.6
101.02431	1.0
116.37050	0.4
151.11298	0.7
152.99608	1.2
155.10777	0.5
161.04584	0.6
169.12384	3.1
201.11343	2.3
207.79991	0.4
209.11862	1.8
211.13431	1.1
212.13687	0.9
227.03549	0.8
227.12975	0.6
227.16563	1.0
255.03001	1.0
277.21719	50.9
278.22034	5.7
279.23248	1.3
280.23703	0.5
284.03317	0.8
389.22202	1.2
473.17856	1.5
512.26575	0.5
709.40649	4.3
710.41534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	1.2
61.98837	0.7
69.37444	1.4
71.01382	0.4
97.36915	0.1
97.84644	0.1
101.02423	0.2
132.16426	0.1
244.84143	0.2
277.21710	12.6
278.22031	1.3
353.09891	0.2
389.21896	0.2
630.42822	0.2
709.39209	0.2
726.53510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76912	1.3
58.12477	1.6
59.01382	100.0
61.98832	62.4
71.63380	1.9
78.95911	4.0
80.96492	1.9
95.27301	1.5
119.45341	1.3
124.03204	1.5
143.71060	1.5
152.99553	1.5
177.37984	1.7
227.20174	1.7
255.23398	2.2
277.21716	19.0
278.22046	2.6
279.23303	16.8
305.15756	1.5
353.13638	1.5
496.29843	1.7
522.57068	1.5
532.07874	1.7
583.63495	1.8
636.42993	1.5
709.39075	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	710.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98832	100.0
62.98557	0.1
71.53667	0.2
79.62669	0.1
84.09077	0.1
164.16502	0.1
186.06114	0.1
247.58188	0.1
277.21765	0.4
278.22147	0.4
279.22757	0.2
365.57611	0.1
643.08630	0.1
651.48810	0.1
658.05432	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	711.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51226	1.1
57.03441	8.6
59.01385	5.7
61.98807	2.0
65.00319	1.5
65.03967	1.9
67.01872	1.3
68.99812	1.3
69.03445	3.2
71.01379	1.9
71.62878	1.5
81.03455	2.5
83.01392	15.8
86.23937	1.0
88.49171	0.9
89.02382	1.2
89.03971	2.3
91.52942	0.9
93.03457	4.3
95.01378	2.2
97.02951	1.1
99.92600	0.9
101.02453	1.3
105.03489	1.6
107.01342	1.1
107.05018	4.3
108.02163	3.2
108.49334	1.1
109.02955	32.7
110.03234	1.4
111.00905	1.3
116.92857	8.8
117.03516	2.0
119.05029	2.9
120.02119	1.0
121.02245	1.2
121.02971	12.2
123.04532	13.4
124.01646	1.5
125.02453	62.0
126.02784	2.1
131.05006	3.7
133.02962	11.0
135.00835	2.8
135.04501	4.6
137.02448	89.5
138.02773	3.2
139.04042	2.1
143.05026	2.0
145.02882	1.3
145.06531	1.2
147.00859	3.8
147.04547	5.2
148.01651	2.7
149.02448	20.8
149.06010	1.5
150.03120	1.4
151.04018	22.4
151.05206	1.5
152.04327	1.4
157.02838	1.5
158.03659	1.2
159.04555	5.4
160.01678	1.1
161.02448	34.0
161.06039	3.0
162.02809	2.9
163.00386	19.6
163.04019	12.3
164.01183	5.9
165.01913	3.6
169.06609	1.4
171.04475	2.8
173.02414	1.2
173.06029	2.0
174.03192	3.3
175.04001	30.0
176.01123	4.4
176.04399	1.2
177.00467	2.0
177.01933	28.0
177.05534	1.5
183.04498	2.8
185.06009	2.0
187.04022	18.0
188.04451	1.8
189.01938	10.0
189.05519	4.9
190.02666	3.7
191.03491	3.1
193.05090	1.6
195.04517	1.5
197.06012	1.4
198.03107	1.3
199.03961	10.1
200.04420	1.2
201.01944	9.0
201.05469	3.8
202.02657	1.8
202.99811	2.9
203.03546	6.6
203.07195	1.4
204.00597	1.6
205.04988	4.6
209.04471	1.4
211.03986	9.7
212.04779	2.4
213.01886	1.3
213.05595	7.7
214.02643	4.1
215.03484	7.5
215.06984	1.4
217.01373	3.4
217.05081	9.8
219.02959	5.7
220.03566	1.3
225.05530	3.2
227.03534	8.7
227.07236	1.3
228.04155	3.6
229.01414	1.8
229.05067	10.2
230.05682	2.1
231.02975	4.3
231.06474	2.4
237.05530	3.2
239.03540	3.1
241.05025	7.7
242.02101	2.1
243.00729	1.5
243.02992	16.4
244.03564	2.1
245.00890	2.1
245.04547	1.8
246.01619	3.8
247.02458	1.2
251.03485	1.9
251.07182	1.2
253.05043	5.2
254.05714	1.9
255.02989	47.2
255.06801	2.4
256.03680	16.5
257.04495	11.8
258.04904	1.3
259.02396	1.3
259.06000	1.1
263.03357	1.4
265.04990	3.5
267.03055	5.7
267.06183	1.2
268.03650	2.6
269.04462	7.1
271.02396	2.4
272.03360	1.6
273.04034	11.8
277.05072	1.2
279.02902	5.5
279.06250	1.6
281.04630	12.8
282.01700	1.7
282.05011	1.6
283.02414	10.5
283.05643	1.8
284.03204	4.6
284.06235	1.4
285.04053	62.5
286.04343	4.2
287.05774	5.8
288.02713	3.0
289.07462	1.1
293.04407	3.1
294.01666	1.9
295.02347	4.7
295.05679	1.8
296.03152	2.7
297.03903	5.2
297.07291	2.2
299.05615	23.3
300.05942	3.0
305.04578	2.1
306.05219	1.4
307.02765	1.3
307.06110	4.4
309.04102	7.1
315.08752	2.1
317.04651	1.5
318.04907	1.2
319.05933	2.4
321.04041	1.5
323.05502	2.1
325.03485	1.7
325.07208	3.2
327.04871	2.1
331.06357	1.1
333.03937	1.5
335.01978	1.4
335.05594	3.1
337.03552	1.3
339.08807	7.7
341.06467	4.4
345.04065	1.5
346.04456	1.2
347.05457	3.3
351.04947	4.6
353.02786	2.5
357.09897	1.2
359.05344	1.6
361.07190	1.3
373.03275	3.4
374.04257	2.3
375.04999	3.4
376.05743	1.1
381.09818	5.3
383.07639	1.6
385.03961	1.2
387.04965	2.6
389.06543	2.6
391.04681	1.8
393.06296	1.4
401.06546	1.4
403.04614	2.7
405.06039	1.9
407.07730	100.0
408.08109	14.0
411.07205	55.8
412.07568	6.8
415.04416	3.8
416.04922	1.3
419.03604	1.7
423.06949	2.0
425.08853	20.5
433.05542	2.5
437.08655	4.8
445.05267	1.3
447.06851	2.8
451.06555	1.7
461.08823	8.2
463.06491	3.0
467.13370	4.5
525.08203	7.6
526.08789	1.7
527.10083	1.2
541.07672	25.2
542.07928	5.5
543.09204	2.0
544.09644	1.4
549.08655	1.8
559.08734	62.8
560.09174	11.5
567.09430	16.5
568.09625	4.1
570.08130	6.8
571.08679	2.4
573.10095	8.3
574.10718	1.9
585.10284	5.5
588.09094	1.5
649.13007	1.8
657.10242	5.3
675.11218	3.3
693.12506	54.5
694.12854	12.1
711.13446	35.9
711.25720	1.9
712.13605	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	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93324	1.8
61.98816	5.0
63.96215	2.3
65.13630	1.7
69.42947	4.6
69.43364	9.0
71.01391	8.2
73.02955	2.1
78.95902	3.7
78.98586	7.4
79.95750	12.9
80.96520	80.5
85.02954	3.3
87.00869	2.4
93.84617	1.6
94.98087	18.4
106.98114	3.7
112.20987	1.6
113.16084	1.8
122.97614	3.5
125.02426	4.7
134.97552	3.5
148.99170	8.7
152.98621	5.1
164.98627	12.7
171.10226	2.5
176.66309	1.7
193.45845	1.7
206.99710	2.8
225.00784	18.0
277.21771	4.2
279.23273	34.9
280.23563	2.7
281.24918	4.8
353.45190	1.5
453.14682	3.6
653.13818	1.9
677.38739	1.8
709.38354	100.0
710.38702	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	709.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83603	0.7
55.01865	0.7
57.03442	2.1
59.01377	2.7
61.98833	38.2
67.01900	0.8
67.55913	0.6
69.03479	0.9
70.38441	2.1
71.01105	0.6
71.01393	7.2
72.99321	0.9
73.02941	0.8
83.05030	2.7
85.02956	1.7
88.98819	1.3
89.02460	1.6
93.03447	1.3
95.01394	0.6
95.05032	1.8
96.96027	1.2
97.02955	8.6
97.06601	1.3
98.03313	0.7
101.02438	1.7
105.07108	2.1
107.05025	2.6
108.02175	1.7
108.05845	7.4
108.88593	0.8
109.02963	6.2
109.06590	2.0
111.00904	0.8
111.04526	9.2
111.08158	1.4
113.06085	9.9
119.04970	1.3
119.08655	2.6
121.03047	0.8
121.06593	2.6
122.03754	8.5
123.04583	1.6
123.05602	0.7
123.08163	6.4
124.05330	1.0
125.02468	1.9
125.06085	10.4
135.08173	2.6
136.05305	10.4
137.02451	1.3
137.06094	5.4
138.06891	15.0
139.07666	30.2
140.07986	1.2
148.05353	4.6
149.06119	3.8
151.07652	65.0
152.04805	7.5
152.08440	32.8
153.09225	15.8
159.11774	2.2
161.09669	4.8
163.03989	0.8
163.07643	7.7
164.08047	1.1
165.05510	1.0
167.07132	3.2
170.05888	0.7
175.11252	1.0
177.12801	1.0
185.09706	0.8
186.10443	1.6
189.09203	2.2
190.02681	0.9
201.12860	19.2
202.13246	0.9
203.10789	10.9
204.11555	32.0
205.11900	2.9
219.13893	62.0
220.14229	4.5
220.16092	0.9
245.08177	0.7
263.12875	100.0
264.13205	8.4
279.12521	0.9
285.03900	1.0
342.13477	1.2
367.10440	2.0
401.60007	0.9
445.21063	4.7
477.95316	0.8
518.52838	0.8
558.16467	0.8
579.56018	0.8
608.97089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02220	0.9
54.62765	0.8
57.03424	1.4
59.01376	3.7
61.98833	100.0
63.99248	0.8
69.51241	2.7
69.51665	4.0
70.61417	0.7
71.01376	3.3
72.99300	1.4
73.02943	1.4
83.01366	1.0
85.02954	3.3
85.17487	1.0
87.00877	1.8
87.04540	1.2
88.98807	4.3
89.02456	1.1
93.03474	1.0
96.96017	8.9
101.02433	2.6
103.65398	0.9
109.02967	1.2
113.02420	1.4
116.47588	0.9
116.92836	1.2
121.02992	1.1
123.04530	2.1
125.02429	1.6
137.02414	2.2
145.02989	0.8
151.03986	1.2
160.01590	1.2
161.02516	1.0
171.04514	3.6
172.05305	48.3
173.05670	3.6
184.05251	2.1
185.06064	11.6
186.06387	1.2
197.43964	1.0
199.07623	1.6
205.49719	1.0
233.08517	54.4
234.08873	4.9
235.08064	1.9
284.03268	0.9
285.04025	2.4
289.07043	1.3
322.32974	0.8
343.24841	2.6
369.21671	0.9
373.25833	1.1
486.29581	3.3
487.30521	1.1
501.31955	4.6
528.30890	3.9
529.31628	1.8
535.30994	2.1
546.31726	4.2
547.32721	30.6
548.33081	5.9
577.13452	1.1
582.47559	0.9
589.33875	1.5
673.38049	1.8
709.38080	82.5
710.38403	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	709.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50632	0.5
57.03451	2.9
59.01390	1.5
61.98819	1.3
64.13498	0.6
65.03980	0.7
69.03445	0.9
71.01432	0.7
71.62487	0.6
81.03468	3.4
83.01402	4.2
87.91998	0.7
89.02466	1.1
93.03448	2.0
95.01412	1.0
95.05028	4.0
97.02937	5.4
99.04503	0.8
101.02493	0.6
108.02180	1.5
109.02960	26.8
110.03291	0.7
111.00893	0.6
119.05009	0.7
121.02958	4.2
122.03709	0.6
123.00916	1.0
123.04527	18.7
124.01660	0.8
124.04922	0.7
125.02455	23.2
130.74898	0.6
135.04497	2.4
137.02444	10.6
138.03189	1.0
139.03992	3.8
145.02927	2.1
146.03722	0.9
147.04530	0.7
149.02425	5.1
150.03209	2.2
151.04022	9.6
152.04323	0.7
159.04523	3.7
159.08171	0.7
160.05334	1.3
161.02443	2.2
161.06096	5.1
162.03191	1.8
163.04054	1.2
164.01146	3.6
165.01906	4.8
165.05614	1.4
166.02609	1.0
166.54878	0.6
167.03493	2.4
168.00615	2.0
173.06111	1.2
174.03198	0.9
175.04019	3.5
175.07623	1.9
177.01903	0.8
177.05646	0.7
179.03470	5.8
185.06143	1.2
187.03989	4.8
188.04791	3.6
199.07573	0.6
201.05511	1.0
202.06311	2.4
203.07133	14.0
204.07544	0.7
205.05022	8.7
206.05510	0.8
217.04980	1.0
221.08195	3.1
225.05690	1.0
227.07164	2.2
229.04977	0.8
245.04492	1.3
245.05490	1.0
245.08173	18.1
246.08536	2.2
247.06029	1.9
269.04568	2.1
271.06012	0.7
285.04028	0.8
289.07184	100.0
290.07553	9.3
316.37869	0.6
323.13928	0.7
407.07880	3.2
425.08820	0.8
600.59320	0.7
624.72070	0.7
709.21680	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	709.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59399	0.4
57.03450	2.8
59.01383	1.0
61.98828	0.6
66.62477	0.4
69.03452	0.8
71.01386	1.3
81.03456	2.6
81.29617	0.5
83.01378	3.4
83.39083	0.4
85.02946	0.5
93.03453	1.2
94.59361	0.4
95.01395	1.0
95.05030	3.8
97.02955	7.1
101.02433	0.7
107.05008	0.7
108.02174	0.9
109.02962	24.1
110.03262	0.8
111.00889	0.4
121.02956	3.8
122.03803	0.9
123.04536	15.7
124.01627	0.5
125.02453	20.1
126.02806	0.5
126.75459	0.5
133.03011	0.5
135.04533	1.8
135.44167	0.4
137.02454	10.0
138.03201	0.7
139.04019	4.2
143.05037	0.5
145.02953	0.8
146.03722	1.5
149.02464	4.6
149.99634	0.6
150.03186	1.5
151.02843	0.7
151.04012	9.8
157.06563	0.9
159.04520	2.8
160.05234	1.4
160.83473	0.5
161.02385	2.0
161.06073	5.6
162.03195	1.6
163.03983	0.9
164.01163	3.9
165.01945	4.1
166.02640	0.8
167.03479	3.1
168.00613	0.9
173.06082	1.2
174.03278	0.7
175.04005	2.4
175.07666	1.8
177.05525	0.8
179.03519	5.8
185.06129	0.9
187.04001	5.2
188.04794	3.4
195.03009	0.9
196.66057	0.4
197.49539	0.4
199.07617	0.8
201.05576	1.4
202.06305	2.2
203.03430	0.9
203.07138	13.2
204.07491	1.0
205.05052	7.9
206.05457	0.4
212.04926	0.7
217.08629	0.7
221.08226	3.2
227.07156	1.3
229.05121	0.9
230.05841	0.6
245.08197	17.1
246.08487	1.8
247.06123	1.4
255.05200	0.9
256.05551	0.7
269.04688	0.8
271.06232	1.1
289.07190	100.0
290.07538	9.0
312.79443	0.5
407.07822	1.6
418.08911	0.7
419.15277	0.8
557.12103	0.8
709.22504	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01382	5.6
59.02462	0.6
61.98817	2.0
69.03450	3.4
69.53034	2.7
69.53458	2.7
71.01385	3.7
73.02932	1.1
79.47132	0.6
81.03455	1.4
83.01382	4.4
84.29590	0.8
85.02937	3.0
89.02451	1.3
90.58705	0.8
93.03483	0.8
95.01385	4.0
97.02934	3.2
98.20621	1.5
101.02448	3.0
107.01400	2.2
108.02209	1.3
109.02959	1.4
113.02428	1.9
117.08048	0.8
119.05027	0.9
120.84642	0.8
123.00874	11.8
123.04511	1.0
124.01669	20.4
125.02450	77.0
126.02772	2.2
137.02420	5.3
138.05647	1.5
149.12358	0.9
149.99577	33.4
151.00412	4.4
151.03947	1.0
161.02460	1.0
167.03516	2.2
168.00638	63.6
169.01424	9.7
171.42336	0.8
179.03476	1.4
181.05106	0.9
184.87981	0.8
191.47302	0.7
211.02310	0.9
251.11499	1.0
269.06842	0.9
287.07687	1.7
313.05753	5.8
322.74081	0.8
331.06656	9.1
373.07697	1.1
376.46164	0.8
492.90289	0.8
593.15198	0.8
627.67456	0.8
709.21906	100.0
710.22296	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
58.22612	0.9
59.01385	4.6
61.98835	2.0
62.68923	0.9
65.05150	0.9
69.03441	2.7
71.01387	4.9
77.13962	0.9
81.03458	2.3
83.01387	3.8
85.02954	2.5
87.52618	0.8
89.02471	1.1
95.01364	2.2
97.02944	4.2
98.19825	1.8
101.02431	3.8
107.01371	2.8
108.02168	1.8
109.02992	1.5
119.05023	2.0
123.00900	11.6
124.00823	1.8
124.01669	24.5
125.02452	83.3
126.02781	2.0
130.55270	1.0
136.01631	1.2
137.02454	5.3
138.05540	0.9
149.99588	40.1
151.00381	5.1
161.02393	1.1
161.04605	1.9
167.03456	2.4
167.74226	1.1
168.00641	72.2
169.01419	10.8
175.02670	0.9
181.01407	1.2
211.02303	1.0
269.06564	1.0
285.04034	1.3
313.05515	7.6
331.06671	9.6
355.06610	1.4
362.61255	0.9
709.21899	100.0
710.22211	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	707.438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.4
59.01380	72.4
60.01702	0.8
61.98519	1.4
61.98832	24.4
69.03468	0.8
70.29363	1.2
71.01384	3.8
71.05006	1.1
78.95937	0.7
83.05027	1.0
87.00869	0.8
88.98803	2.5
89.02434	2.6
95.04209	0.6
97.02948	0.8
98.20518	0.8
99.00892	0.6
101.01811	0.7
101.02451	2.0
113.02437	1.2
123.08137	1.2
125.02412	0.6
137.09712	5.8
151.11253	2.0
153.12880	1.8
161.04533	1.2
163.11279	1.7
179.10883	0.7
179.14372	1.1
181.12312	2.0
189.12981	0.7
195.13899	3.7
197.15427	4.6
205.12328	0.7
207.13966	3.0
211.13481	1.4
225.14964	52.3
226.15324	3.3
277.21716	100.0
278.22055	10.3
279.23135	1.3
309.28052	3.3
369.19473	1.0
387.20279	0.8
397.13474	3.1
415.14334	0.6
609.78003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36321	0.2
51.43452	0.2
57.65805	0.2
59.01383	0.7
61.98834	100.0
69.86938	0.9
69.87354	0.4
70.11153	0.3
71.01388	1.2
73.02952	0.4
77.02686	0.3
83.01377	0.3
83.05032	1.8
85.02943	0.8
89.02457	0.4
101.02463	0.6
106.76050	0.2
111.00858	0.4
113.02486	0.6
114.96235	0.3
122.03737	0.3
125.02458	0.3
127.04012	6.9
128.04330	0.3
137.06122	0.3
139.07666	1.5
165.01947	0.3
165.05597	0.9
170.00128	0.3
202.85312	0.3
231.14854	0.3
328.99423	0.3
384.32635	0.3
400.56122	0.3
421.33255	0.6
517.33807	1.6
601.39703	3.3
602.40015	0.7
627.37427	0.7
645.38538	9.1
645.48895	0.6
646.39020	2.3
708.35205	0.3
709.38593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30750	0.1
59.01381	2.5
61.98831	100.0
71.62846	0.1
74.63204	0.1
78.95910	0.3
80.90992	0.1
92.01643	0.1
96.53693	0.1
105.07441	0.1
116.92867	0.1
152.99615	0.3
169.12352	0.1
195.09552	0.1
201.11441	0.2
209.11897	0.4
211.13437	0.6
212.13782	0.4
277.21747	1.2
278.22205	0.5
279.23294	0.3
288.45221	0.1
292.23648	0.2
331.26468	0.1
373.03851	0.2
389.21445	0.1
473.18073	0.3
530.01117	0.1
611.02399	0.1
621.68152	0.1
625.96313	0.1
709.39587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32428	0.3
57.03454	0.3
59.01377	1.9
61.98835	100.0
71.11234	0.4
89.49210	0.2
97.73675	0.2
100.25076	0.2
116.92873	0.4
137.32684	0.3
279.23370	0.8
293.21368	0.8
331.25095	1.5
645.49524	4.3
646.49872	1.3
709.38013	0.3
717.94312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01381	74.5
60.01723	0.6
61.98832	7.2
67.54457	0.4
71.01393	2.2
73.02930	0.5
78.95906	0.7
84.00875	0.4
85.02965	0.8
89.02462	0.9
98.20644	0.8
99.92602	1.1
101.02430	1.2
113.02458	1.0
116.92860	10.3
117.92916	0.5
129.50642	0.4
138.06868	1.4
143.03423	0.5
152.99545	0.8
153.09224	3.8
161.04558	1.1
211.13419	1.3
225.11426	0.5
225.14957	5.9
277.21719	100.0
278.22049	10.2
279.22986	0.5
291.23187	0.5
387.20227	1.5
391.87885	0.5
397.13565	0.7
471.15967	0.5
700.04730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01382	73.2
60.01715	0.8
61.98829	2.4
69.59870	1.4
69.60277	0.9
71.01389	3.2
73.02957	0.9
85.02957	1.3
89.02443	0.6
95.01353	0.5
95.05098	0.3
97.02988	0.5
101.02441	1.4
113.02467	1.1
113.71796	0.3
136.28214	0.3
138.06874	2.4
143.03467	0.4
153.09215	6.6
161.04544	1.4
197.03380	0.3
207.13953	0.8
225.14975	9.1
226.15298	0.6
277.21722	100.0
278.22098	10.6
291.23541	0.3
319.22479	0.4
369.19336	0.4
387.20203	3.1
388.20328	0.4
405.02600	0.4
614.65100	0.4
647.41174	0.8
681.96167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63034	0.3
51.88264	0.4
59.01378	1.0
61.98833	100.0
62.35895	0.4
63.99262	0.6
71.63192	0.4
71.63615	0.5
77.63728	0.4
78.95903	0.4
80.92374	0.4
88.44680	0.4
92.93804	0.4
103.34022	0.4
277.21686	2.0
278.22232	1.1
279.23325	1.2
477.56631	0.4
576.80902	0.4
585.71680	0.4
622.66669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42270	0.9
50.47535	1.1
55.01874	1.0
57.03447	11.3
59.01384	5.7
61.98826	2.2
65.00326	2.8
65.03983	1.4
69.03452	1.2
71.01389	3.8
71.63725	1.6
73.02982	1.1
76.60197	1.1
81.03456	5.2
83.01388	11.2
85.02953	11.9
87.00891	1.2
88.98811	3.2
89.02454	4.7
90.36736	1.1
93.03469	1.3
95.01374	1.4
95.05038	1.6
97.02946	2.4
101.02482	2.0
107.01379	2.1
107.05041	3.2
109.02963	27.7
110.55108	1.1
111.00894	7.6
112.28975	1.2
112.76175	1.1
113.02444	2.0
121.02951	5.4
123.04533	19.9
125.02451	83.6
126.02769	3.2
127.04004	4.2
129.01912	3.2
131.03485	1.3
133.02962	3.1
135.04546	3.4
137.02440	21.2
138.02960	1.2
139.04005	2.8
143.05070	1.2
145.02969	1.5
147.04486	2.6
149.02412	5.3
150.03160	2.6
151.00352	5.5
151.04015	20.0
152.01187	1.6
153.01953	4.7
159.04532	2.7
161.02443	19.3
161.04556	1.3
161.06059	3.0
162.03122	1.9
163.00345	8.3
163.03999	3.8
164.01146	3.6
165.01871	7.0
165.05576	1.8
167.03502	20.7
168.03886	1.3
171.04362	1.3
173.06174	1.9
175.03975	10.9
177.01935	7.5
178.99892	1.3
179.03534	6.1
179.05640	1.8
185.06187	1.5
187.03995	5.3
188.04752	2.0
189.01929	4.4
189.05545	1.8
190.99840	1.6
191.03532	4.5
192.00691	2.2
193.01433	1.4
193.05016	1.7
195.02992	45.7
196.03264	1.8
201.05602	2.5
202.06310	1.4
203.03526	3.4
203.07097	5.2
205.01416	2.6
205.05066	3.4
206.02200	2.3
207.03014	7.5
209.04562	4.7
213.04030	2.8
214.02556	1.2
215.03555	2.0
217.05005	2.7
219.02982	3.4
219.06682	1.4
227.03514	1.6
229.04901	2.0
231.02908	5.3
234.01666	3.3
235.02489	4.6
237.04083	13.4
243.02930	1.7
243.06635	2.0
244.03691	1.1
245.04526	3.4
245.08273	7.3
255.05104	100.0
256.05634	5.6
257.04379	1.3
259.06015	1.7
261.04199	1.4
269.04599	1.9
276.02802	1.5
277.03421	2.1
285.04099	1.4
287.05530	6.5
289.07190	30.0
290.07578	2.1
294.03781	4.5
295.04608	1.3
299.05637	8.8
299.14841	1.6
301.16507	1.8
305.06808	2.2
329.06631	1.5
341.06555	2.0
357.06204	11.4
375.07224	6.2
383.07739	3.7
389.09045	1.2
399.07159	7.1
403.06677	8.0
407.07797	3.1
417.08313	33.1
418.08536	5.4
427.11273	1.2
451.10318	11.5
452.10742	2.3
477.08246	2.0
495.09122	1.5
537.10358	10.7
538.10938	1.5
555.11371	22.7
555.19495	1.8
556.11780	4.2
577.13147	1.8
647.14081	1.7
706.69897	1.3
707.15723	9.4
708.16510	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	706.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03947	0.1
55.72826	0.2
57.03457	0.1
59.01384	0.7
61.98833	100.0
62.98549	0.3
69.48686	1.3
71.01402	0.4
75.15408	0.2
77.37087	0.2
83.01410	0.2
89.02469	0.4
93.03463	0.2
95.01439	0.2
96.96001	0.2
97.02925	0.2
98.20586	0.2
101.02518	0.3
104.97662	0.1
109.02965	0.4
122.03690	0.2
123.04524	0.3
125.02477	0.3
137.02458	0.9
150.03134	0.2
151.04094	0.2
161.02472	0.2
161.06113	0.2
164.01344	0.2
165.01974	1.0
181.45920	0.1
201.11412	0.2
203.07158	0.4
205.05070	0.5
209.11713	0.2
233.08556	1.3
244.07433	0.2
271.47308	0.2
289.07355	0.4
294.52475	0.2
491.23633	0.3
643.27661	7.1
644.27899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.50002	0.1
61.98830	100.0
69.56590	0.7
69.57016	0.3
71.01391	0.2
73.02945	0.2
77.33167	0.2
89.02447	0.2
97.43738	0.1
101.02444	0.1
109.02961	0.3
122.03730	0.3
123.04539	0.2
125.02446	0.2
137.02472	0.6
139.45697	0.1
149.02371	0.2
161.06177	0.3
164.01230	0.1
165.01962	1.1
166.77580	0.2
177.27945	0.1
203.07259	0.2
205.05089	0.2
210.60023	0.1
267.15994	0.2
491.22916	0.2
515.83270	0.2
582.49402	0.2
643.27594	6.0
644.27686	1.1
649.07349	0.2
706.32312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41744	0.3
57.03461	0.3
59.01376	2.3
61.98831	100.0
71.01384	1.3
72.99307	0.3
83.01394	0.8
85.02953	0.6
87.23022	0.3
89.02448	1.2
97.02963	0.6
98.20631	0.7
101.02451	0.9
108.02203	0.5
109.02953	1.5
113.02502	0.4
119.03535	0.4
121.02960	0.6
122.03739	1.7
123.04560	1.2
124.01721	0.6
125.02484	0.5
136.17972	0.3
137.02440	5.0
139.04051	0.4
149.02463	0.7
151.04027	0.4
154.02681	0.3
155.10747	0.3
161.02557	0.3
161.06097	0.7
163.04123	0.3
164.01212	0.9
165.01920	7.8
165.03221	0.5
166.02301	0.6
175.04161	0.3
177.05571	0.4
179.03545	1.0
180.26163	0.3
199.09621	0.4
203.07140	1.4
205.05035	1.7
229.09006	0.5
231.02901	0.4
236.95180	0.4
242.32794	0.4
419.22397	1.0
437.24469	0.3
459.07092	0.3
491.22833	0.6
599.28473	0.4
643.27582	36.0
644.27966	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	706.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62735	0.2
59.01383	1.8
61.98834	100.0
69.33188	1.3
69.33607	0.7
71.01408	1.1
83.01397	0.6
89.02470	0.8
93.03472	0.4
97.02979	0.7
101.02455	0.8
103.98238	0.2
108.02273	0.3
108.61031	0.2
109.02968	1.3
113.02435	0.4
121.02959	0.6
122.03718	1.2
123.04562	0.9
124.01681	0.5
125.02484	0.6
137.02446	3.6
138.03200	0.3
139.04008	0.4
141.25584	0.2
149.02441	0.6
150.03137	0.3
151.04013	0.5
154.02657	0.3
161.02452	0.4
161.06117	0.5
164.01183	0.7
165.01935	6.4
165.05589	0.3
166.02330	0.3
177.02026	0.2
177.05611	0.5
179.03503	1.1
203.07158	1.2
205.05057	1.7
244.07422	0.4
247.06140	0.4
288.06592	0.4
419.22516	0.6
491.22974	0.7
643.27612	29.1
644.27911	6.7
644.38715	0.5
739.17975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78026	0.3
57.03442	0.6
58.00592	0.6
59.01380	100.0
60.01708	0.9
61.98835	9.5
63.38909	0.3
63.86159	0.3
69.03468	0.4
70.28289	0.7
71.01386	4.7
72.99316	0.4
73.02959	3.4
73.94619	0.3
75.00883	0.8
81.03430	0.3
83.01392	0.8
83.05031	7.5
85.02972	0.9
89.02431	1.5
95.05051	0.5
97.06593	0.4
98.19975	0.5
101.02469	2.6
111.08199	0.5
113.02444	3.1
119.03505	1.1
121.06612	1.2
125.02438	0.6
125.06062	0.8
126.19464	0.3
139.07646	0.8
161.04565	1.7
163.11301	0.5
165.12766	0.4
199.02365	0.3
205.12265	0.9
209.11821	12.8
210.12111	0.8
239.38327	0.3
253.09244	0.5
255.21159	0.6
259.39313	0.3
261.22195	0.5
263.23761	0.7
271.21045	0.3
273.22174	2.3
277.21722	44.8
278.22086	4.1
289.21625	0.5
291.23303	25.5
292.23679	2.3
301.21732	3.9
302.22253	0.4
303.23276	0.5
319.22766	11.6
320.23090	1.4
331.22925	0.7
335.22137	0.3
349.23956	1.6
373.23846	0.7
379.24869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60313	1.0
55.01878	1.5
57.03451	2.7
59.01382	73.3
61.98830	100.0
63.84787	1.1
68.95371	1.0
69.03446	1.3
69.93661	4.0
71.01389	22.7
72.99302	1.7
73.02940	7.0
83.01382	3.7
83.05028	21.4
85.02954	10.4
87.00864	2.6
87.04567	1.3
88.98815	2.6
89.02447	9.4
93.03450	1.5
95.01367	2.3
95.05000	1.1
99.00867	2.0
99.04494	1.4
99.08132	1.1
101.02443	13.9
101.06091	2.1
108.02148	1.0
108.66183	1.1
109.02972	1.6
111.00867	1.9
111.04524	16.3
113.02445	8.8
114.75121	1.0
116.92857	2.2
119.03519	3.0
121.02905	1.5
123.04519	2.5
125.02448	3.7
127.04015	21.8
127.07664	2.7
129.05589	11.9
134.03789	1.4
137.02451	2.8
138.03198	1.5
139.03981	1.8
141.09215	3.7
145.03006	1.4
149.02353	1.5
149.06024	1.3
150.03224	2.4
151.03995	1.4
152.04781	3.2
153.01930	2.6
155.10754	2.1
160.04047	1.3
161.04539	3.1
161.05946	1.2
165.05510	1.3
167.07042	1.3
175.03931	1.2
182.56728	1.1
201.14871	1.5
209.11743	3.5
285.03809	1.3
289.06885	1.2
331.06766	1.2
421.33240	1.4
439.34116	1.9
443.02957	1.3
515.32019	6.1
516.33179	1.6
533.32733	1.5
575.34430	2.7
601.39532	32.0
602.39618	6.3
619.39343	1.5
627.37463	70.4
628.37854	15.0
630.26105	1.3
643.26208	1.5
643.40320	2.3
645.38757	4.2
657.24664	1.3
687.28192	1.9
687.39648	26.5
688.39551	7.0
692.02032	1.4
695.62689	1.6
705.31158	4.5
705.42365	9.9
706.40753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57433	0.5
57.03429	0.7
57.48512	0.7
58.00599	0.8
59.01381	38.0
61.98829	12.3
70.66222	1.4
71.01382	11.3
72.99297	0.8
73.02940	3.9
75.00851	0.8
78.95895	0.7
81.03449	0.5
83.01401	0.8
85.02961	2.3
89.02442	4.8
92.56034	0.5
101.02446	4.9
111.61010	0.5
112.28152	0.5
113.02454	5.4
116.92849	1.4
119.03512	2.3
123.08182	0.8
125.02437	0.6
125.06088	1.4
129.11957	0.5
138.06880	2.8
139.07639	0.9
147.08174	0.6
151.07639	2.6
152.08397	1.9
153.09210	13.6
154.09557	0.7
155.32217	0.5
161.04562	2.8
165.09204	1.8
179.05627	1.1
187.11237	1.0
192.26465	0.5
205.12349	8.6
206.12657	0.6
223.13374	3.1
229.36151	0.5
254.59146	0.5
255.21118	0.8
259.20526	0.8
273.22214	2.5
275.20218	0.5
277.21713	100.0
278.22070	11.3
291.23300	18.9
292.23737	2.4
301.21588	2.7
319.22751	8.7
320.23151	0.9
331.22687	0.7
335.22336	0.9
349.23630	0.8
367.17462	2.9
368.17639	0.7
385.18625	4.1
538.11005	1.7
539.11121	0.9
620.53040	0.6
645.39941	1.2
688.21606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03451	1.7
58.00593	1.7
59.01382	100.0
60.01715	0.8
60.91991	0.6
61.98835	47.2
71.01386	26.6
72.99304	2.9
73.02944	5.6
82.17303	0.6
83.01366	3.5
83.05031	21.7
85.02945	11.4
85.06605	1.9
87.00903	2.0
88.98810	1.1
89.02448	15.0
95.01401	2.6
97.02975	1.3
97.06580	0.6
99.00903	2.0
99.04533	2.8
101.02449	16.0
101.06104	1.9
109.02995	0.7
111.04525	15.7
112.01685	0.7
112.04893	0.7
113.02455	10.2
113.09752	0.9
119.03516	5.4
121.02966	0.7
123.04552	0.9
123.08147	1.3
125.02464	2.4
125.06070	0.7
127.04014	25.9
127.07673	2.5
129.01958	0.7
129.05580	14.8
137.02467	2.0
138.03204	1.5
141.09230	4.1
143.03523	1.3
145.05330	0.6
151.04051	0.8
152.04832	2.7
153.41864	0.6
157.12355	1.2
161.02434	0.7
161.04568	2.9
165.01926	0.9
167.07010	0.7
167.14459	0.8
179.05663	1.8
201.14932	0.7
205.05061	0.9
209.11789	0.7
225.11407	1.0
277.12976	1.7
289.07629	0.8
289.11887	0.8
347.22336	1.9
351.25552	1.3
369.26508	1.7
437.32993	1.7
445.29727	1.6
457.28299	0.7
463.30804	2.2
475.29092	1.8
503.98032	0.6
513.30750	5.9
514.31390	1.1
531.31512	1.4
547.34760	2.0
573.32794	4.4
574.33319	0.8
575.34192	1.5
599.37952	31.0
600.38403	6.3
625.35950	82.4
626.36261	17.6
641.39471	3.0
642.39044	0.7
643.37445	4.6
644.36755	1.1
685.38147	27.4
686.38287	5.8
703.28967	1.4
703.40186	10.2
704.40100	1.3
734.89783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58937	0.2
61.98832	100.0
64.31297	0.2
69.34182	1.6
78.95955	0.3
105.05328	0.2
126.10300	0.2
177.09361	0.2
291.17081	0.2
307.11334	0.2
493.68161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20719	0.8
55.01881	2.5
57.03453	3.1
58.00588	1.3
59.01386	100.0
60.01721	1.8
60.99311	1.1
61.98837	95.0
69.03470	1.4
69.53760	3.1
69.54181	3.4
71.01391	36.8
72.99313	3.5
73.02955	9.4
75.00885	1.5
83.01391	5.8
83.05034	20.3
84.59970	0.9
85.02960	17.0
85.06600	2.1
87.00894	3.3
87.51518	0.9
88.98817	6.6
89.02454	13.2
95.01395	2.9
95.05041	1.5
97.02946	1.5
98.20643	2.1
99.00887	2.8
99.04538	2.4
101.02451	23.7
101.03078	1.6
101.06107	1.0
109.02976	1.1
109.06632	1.0
111.04536	13.4
111.54665	0.9
113.02467	13.6
116.92857	0.9
119.03501	5.0
121.03017	1.3
123.04542	1.7
124.01762	1.0
125.02448	2.8
127.04027	18.3
127.07666	3.8
128.04344	1.3
129.05597	19.1
137.02477	3.0
138.03241	2.2
139.07690	1.0
141.09239	4.2
143.03477	2.0
145.02986	1.2
149.06068	1.2
151.03952	1.5
152.04810	4.0
159.03029	1.6
159.04504	0.9
161.02524	1.5
161.04553	4.5
163.11275	1.0
165.01839	1.1
167.07199	1.6
179.05626	1.2
205.05167	0.9
209.11850	4.6
227.12917	1.0
245.11922	2.6
249.14935	1.1
267.16031	11.7
336.89893	0.8
353.27145	1.4
357.39127	0.9
371.28098	2.4
375.27551	1.0
408.09622	1.0
421.33078	1.0
439.34195	4.6
447.30792	0.9
465.31940	4.4
477.30844	1.3
515.32214	5.2
549.36359	2.2
575.34479	3.1
601.39502	33.0
602.40375	5.1
619.41235	1.4
627.37488	73.7
628.37781	14.9
643.27490	6.1
643.40558	3.5
645.38562	6.3
646.39111	1.6
687.39703	32.2
688.40179	7.2
705.41309	18.5
706.40692	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	703.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65268	0.9
55.01875	1.8
57.03439	3.1
59.01382	100.0
60.01716	1.2
61.98830	69.8
71.01382	25.8
72.99306	3.3
73.02950	3.4
73.10085	0.8
75.00848	1.5
83.01388	2.7
83.05025	17.3
85.02956	8.7
85.06582	1.1
87.00866	1.6
87.36497	0.7
88.98819	3.4
89.02444	15.7
90.69902	0.8
93.37015	0.8
95.01373	2.0
97.06560	1.6
99.00893	1.6
99.04530	3.1
101.02440	14.3
101.06069	1.0
111.00903	1.1
111.04524	12.2
113.02458	10.2
116.92898	0.9
119.03502	4.5
123.08175	1.2
123.82207	0.9
125.02395	1.7
125.06123	0.9
127.04008	22.3
127.07654	1.9
129.05576	15.1
137.02472	1.6
138.03281	1.1
141.09224	3.7
149.02461	1.0
151.07541	1.2
152.04749	3.6
161.04533	3.1
163.03993	1.0
163.11188	1.9
165.12933	0.8
207.10178	1.8
265.14426	6.1
265.17145	1.1
284.03268	0.9
328.74243	1.1
351.25317	1.0
397.67981	0.9
417.05618	0.8
437.32611	2.0
445.29434	1.1
463.30582	1.9
475.29263	1.1
513.31158	4.0
515.31879	1.0
547.34943	1.3
558.85425	1.0
573.32959	3.6
599.37964	33.5
600.38196	6.5
625.35907	63.6
626.36285	16.5
641.38885	2.9
642.38422	1.2
643.37024	5.6
644.38641	1.2
685.38098	24.3
686.38318	7.4
703.39557	11.0
704.39142	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	703.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
56.21878	0.6
57.03446	1.6
57.08406	0.7
58.00599	1.4
59.01385	73.5
60.39205	0.7
61.98836	100.0
62.98538	1.2
63.99257	0.9
70.95285	1.8
71.01388	26.6
72.99330	2.3
73.02956	7.7
73.22878	0.8
73.40607	0.7
74.67096	0.7
75.00890	1.1
80.96538	1.8
81.03432	0.8
83.01392	4.3
83.05033	15.1
85.02956	11.6
85.06621	1.0
86.48939	0.8
87.00894	1.6
88.98819	4.8
89.02443	11.7
95.01402	1.9
97.02972	1.5
97.06602	0.9
99.00897	2.9
99.04549	2.9
101.02455	15.2
101.06088	1.4
111.00923	0.9
111.04525	10.3
111.37381	0.8
113.02459	10.4
113.03148	1.0
116.92895	1.1
119.03525	3.0
119.04983	0.8
125.02404	1.9
127.04018	15.7
127.07665	2.6
129.05597	16.4
129.06555	1.1
137.02496	1.5
138.03271	1.2
141.09259	3.3
152.04813	2.4
155.10757	1.0
159.03056	1.3
161.04520	3.7
164.04802	0.7
179.05685	1.0
195.26378	0.7
203.95302	0.7
207.70750	0.8
210.13943	0.8
249.15053	1.2
293.55539	0.9
303.97269	0.9
329.23541	1.0
351.25485	1.0
437.32825	4.2
463.30966	2.7
475.29428	1.7
513.30652	5.3
547.35138	1.6
548.34998	1.1
573.33319	3.5
574.33435	0.9
581.36993	0.8
599.38086	30.6
600.38611	5.9
617.39417	0.8
625.35919	57.8
626.36353	11.6
626.46100	0.9
641.39258	3.0
642.39844	0.9
643.36804	3.5
685.38116	20.7
686.38593	4.8
703.29291	1.8
703.40002	11.8
704.40149	2.5
704.84613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.00591	0.4
59.01376	2.5
61.98824	0.3
69.03442	0.5
71.01376	0.7
71.05017	0.2
72.99310	0.3
73.02946	0.6
83.05027	0.6
85.02953	0.9
95.05035	0.4
97.02961	0.3
97.06588	1.9
98.03741	0.5
99.04510	0.9
107.05009	0.3
109.02914	0.3
109.06561	0.5
111.04514	1.9
114.68365	0.2
121.06585	2.1
122.03733	0.9
123.04491	0.6
123.08166	2.5
125.02399	0.3
125.06099	1.1
125.09718	0.3
129.05582	0.2
129.08990	0.2
132.05804	0.2
134.32877	0.2
135.08145	0.3
135.98352	0.6
137.02466	0.3
137.06081	0.5
137.09715	0.7
149.06084	1.6
149.09764	0.2
151.07611	0.8
153.09212	1.8
155.08815	0.2
161.09709	2.2
163.07703	0.9
163.11252	0.7
165.09125	0.5
166.50816	0.2
175.11244	0.6
177.12845	0.3
179.10754	0.9
179.82965	0.2
181.08766	0.2
185.09618	0.3
188.08420	0.2
191.10806	0.5
191.14369	1.6
193.12302	0.6
201.12825	0.4
203.10768	5.8
204.11143	0.3
214.01578	0.2
219.13890	1.9
221.11823	5.7
222.12164	0.3
223.09718	0.3
241.10866	0.6
255.15993	1.4
263.12756	0.2
281.13925	0.7
299.14981	100.0
300.15323	7.8
301.15710	0.2
703.23297	0.2
732.29205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01365	2.0
61.98830	16.3
67.01907	0.8
68.99777	0.8
69.03453	2.5
71.01382	1.5
71.05012	2.7
71.45161	1.4
81.03458	1.4
83.01377	7.5
85.02944	0.8
89.02410	1.0
93.03439	4.4
95.01382	2.6
95.05035	2.0
97.02953	7.7
105.03489	2.2
107.01338	0.8
107.05029	1.7
108.02178	2.7
109.02953	47.6
111.00825	1.3
113.02443	1.0
116.92853	1.5
121.02957	8.2
122.03729	3.3
123.00903	7.9
123.04528	22.4
124.01658	2.5
124.04835	1.2
124.54545	0.8
125.02454	11.3
127.00394	2.0
133.02945	1.9
135.00871	0.8
135.04556	4.7
136.01695	0.8
136.98779	1.1
137.02443	33.4
138.03253	6.6
138.99454	0.8
139.00401	6.2
139.04021	19.4
145.02928	1.4
146.03703	2.0
147.04504	4.3
148.01660	0.9
149.02444	31.0
149.06009	1.0
150.03209	4.3
151.00470	0.9
151.04005	26.3
152.01222	0.9
152.04289	1.0
153.01886	2.5
153.05556	3.9
159.04503	2.6
160.05205	1.0
161.02437	10.7
161.06035	3.5
162.03143	3.6
163.03999	7.7
164.01123	4.0
164.04715	1.1
165.01945	6.4
165.05531	1.5
166.02707	1.3
173.02353	0.8
173.06049	1.9
174.03218	1.2
175.03972	3.6
176.01106	7.2
177.01924	6.8
177.05536	2.4
178.02666	5.6
179.03557	7.1
181.05156	1.0
185.06018	1.4
187.03973	2.4
188.04716	2.3
189.01923	2.5
190.02676	4.3
191.03493	15.3
192.04120	2.0
196.05080	0.8
197.06056	3.7
201.05540	3.3
203.03432	4.6
203.07065	5.4
204.04268	2.4
205.05029	9.3
213.05548	9.2
214.06404	1.2
215.07118	43.7
216.07550	3.2
217.01334	1.4
217.04999	3.0
219.06551	1.5
221.08237	1.4
229.05003	1.5
230.05739	1.0
231.03036	1.8
233.08223	1.4
239.07124	1.1
240.14769	1.0
241.04955	1.2
243.06409	0.8
245.04498	1.9
245.08221	6.5
247.06075	5.7
255.06575	2.7
257.08203	11.6
258.23407	1.0
259.05881	0.9
263.40399	0.9
265.14343	2.4
269.04590	0.9
269.07968	0.9
283.05927	2.4
289.07184	32.4
290.07437	1.0
297.04349	0.9
301.07169	100.0
302.07483	8.0
303.08887	1.0
315.08508	1.3
343.08170	1.8
356.05447	1.0
371.07626	2.5
381.09796	1.2
386.10184	1.3
391.26794	1.0
401.12369	5.4
402.12738	1.1
411.14575	3.9
413.12335	2.6
479.17035	1.2
505.15106	2.5
523.16138	22.2
524.16180	3.1
549.13892	13.3
550.14331	2.6
551.15350	1.3
659.21082	2.6
685.19153	7.3
686.19757	1.2
703.20172	42.2
703.30255	2.8
704.20667	10.3
704.32037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78354	1.3
54.41616	1.2
57.03440	2.7
59.01381	12.4
61.98832	92.0
69.03470	1.9
70.29034	5.8
70.29385	2.0
71.01385	8.9
71.05020	3.0
72.99296	2.2
74.02866	1.3
77.94769	1.3
79.67839	1.5
79.76778	1.3
81.03461	2.2
83.01398	8.5
83.05032	1.7
85.02939	5.2
86.33862	1.2
87.00881	2.1
88.98801	3.5
89.02445	5.3
93.03470	7.4
95.01377	4.4
95.05004	2.1
96.95961	1.4
97.02965	9.4
101.02438	4.9
104.42110	1.4
105.03454	2.3
107.05016	1.8
108.02142	2.6
109.02953	53.6
111.00840	2.2
112.98840	1.7
113.02428	4.9
114.59958	1.5
114.68774	1.4
116.92834	2.1
117.03414	1.8
119.03554	1.7
119.05031	2.6
121.02957	9.6
122.03780	4.4
123.00904	7.4
123.03714	2.1
123.04527	26.1
124.01644	4.3
125.02456	11.4
133.02927	2.3
134.03720	2.2
135.04501	4.9
137.02446	36.3
137.09727	1.4
138.03255	9.6
139.00398	9.3
139.04019	21.3
145.02846	2.8
146.03717	1.8
147.04507	5.6
148.01662	1.5
149.02434	36.7
150.03220	2.5
151.04016	24.7
153.01952	3.9
153.05527	4.6
154.02719	2.2
159.04538	3.6
161.02460	11.5
161.06073	3.4
162.03171	2.0
163.04056	9.0
164.01155	4.0
165.01952	12.2
165.05548	3.1
166.02670	2.1
167.03394	2.2
174.03197	1.6
175.03984	5.9
176.01115	4.7
177.01923	8.9
177.05524	3.8
178.02647	4.3
179.03491	8.1
185.06039	2.0
187.03993	3.7
188.04710	1.5
189.01881	3.8
190.02728	4.5
191.03506	16.3
192.04163	3.1
197.06059	3.8
201.05519	3.8
203.03438	5.1
203.07164	7.7
204.04222	4.1
205.05072	11.4
205.12343	6.6
213.05626	11.9
214.18681	1.4
215.07117	47.6
216.07545	2.3
217.01385	2.2
217.04997	4.6
219.06633	2.1
221.08174	2.1
223.20995	1.5
227.07147	2.1
232.03633	1.7
239.07068	2.4
241.04895	1.5
245.04425	2.9
245.08182	5.2
247.06094	5.5
249.11258	10.4
250.11667	2.8
256.28650	1.5
257.08185	14.0
273.99481	1.5
278.87833	1.5
285.04221	2.8
289.07220	29.8
290.07379	3.2
301.07159	100.0
302.07599	8.1
303.08661	2.0
340.62863	1.4
343.08368	1.8
371.07599	2.9
371.24100	2.0
373.25870	3.9
380.06146	1.6
381.09680	2.3
391.26981	3.0
401.12262	7.1
411.14374	4.5
413.12088	2.5
479.16824	3.0
505.14929	4.1
523.16162	29.3
524.16364	4.0
549.14050	13.4
550.14478	2.1
599.37598	2.3
625.36182	3.5
643.36145	1.8
684.02368	1.7
685.19489	9.0
703.20160	35.0
703.30994	5.3
704.19995	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	701.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17390	1.6
55.01901	1.9
57.03451	88.2
59.01384	96.6
61.98829	3.3
69.58244	13.9
71.01387	22.8
73.02947	6.6
78.52373	1.6
81.03465	4.5
83.01377	4.3
85.02951	9.5
87.00881	4.1
89.02458	8.0
91.95531	2.0
95.01420	2.6
97.03010	2.0
98.20593	3.7
99.00931	2.8
99.04525	100.0
100.04890	2.7
101.02448	40.4
102.37911	1.6
109.02975	3.6
111.00918	3.2
113.02414	8.5
119.03526	2.4
121.03017	2.0
123.04512	2.2
123.08239	1.8
125.02455	77.2
126.02808	2.4
129.76965	1.9
137.02496	5.1
139.03989	2.5
143.03508	8.2
161.04567	11.4
165.01912	5.1
167.03482	3.2
171.11926	2.6
179.03447	2.5
180.51910	1.7
219.06966	2.1
233.10255	4.3
237.15021	4.0
251.11348	37.3
252.11510	2.6
281.13919	15.3
289.07321	2.1
293.12424	49.7
294.12833	2.5
305.06677	13.5
333.15555	5.3
351.16602	5.1
357.23074	1.9
389.13367	2.9
395.15555	78.2
396.16013	7.6
474.32791	1.8
679.29651	2.1
701.23285	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	702.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56939	0.1
59.01380	0.4
60.99324	0.1
61.98832	100.0
62.98542	0.1
71.01394	0.1
71.34520	0.2
77.58331	0.1
78.88428	0.1
83.36844	0.1
85.02975	0.2
88.98790	0.6
89.02483	0.1
94.86394	0.1
113.22442	0.1
119.12949	0.1
142.24458	0.1
159.30786	0.1
182.10880	0.1
247.13553	0.2
724.57605	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	697.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51873	0.4
59.01384	100.0
60.01707	0.9
61.98836	8.5
69.71513	0.6
69.71922	1.8
90.65530	0.4
101.06097	2.1
121.03002	2.1
125.02439	0.7
125.71461	0.4
191.03546	1.4
200.92960	0.4
204.02238	0.4
209.04631	1.3
249.14882	0.4
429.83249	0.4
442.85501	0.6
593.13135	0.9
656.26404	0.4
697.22217	0.5
697.38977	1.5
727.62592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40302	0.3
59.01379	5.8
61.98832	100.0
67.07872	0.4
70.63445	0.4
71.63422	0.5
71.63889	0.6
75.11346	0.4
75.96093	0.4
77.60206	0.4
78.95860	0.6
101.97480	0.4
128.28984	0.5
136.95306	0.4
279.23682	0.4
420.03989	0.4
500.24878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50307	0.3
57.03450	0.2
59.01379	0.9
61.98831	100.0
62.68470	0.2
62.90557	0.2
66.07144	0.2
68.20481	0.2
71.01395	0.5
75.00859	0.3
76.68922	0.2
77.85201	0.2
88.98823	0.5
89.02482	0.3
90.97709	0.2
101.02456	0.5
113.02449	0.2
116.92817	0.3
127.07703	0.3
139.07671	0.2
153.12885	0.4
184.31018	0.2
184.33234	0.2
192.54555	0.2
333.20749	0.8
337.20392	0.6
363.19531	0.2
367.21463	0.3
489.38129	0.2
700.40771	0.3
701.43024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
58.00586	1.3
59.01095	1.2
59.01381	17.3
61.98826	0.6
65.92635	0.6
69.49356	1.4
69.49780	3.3
71.01388	9.6
72.99326	1.0
73.02957	0.9
83.01382	1.3
84.02180	0.6
85.02953	2.8
87.00869	0.9
89.02448	10.7
95.01423	0.9
97.06601	1.0
99.08160	10.1
101.02443	7.6
109.02972	0.7
111.00816	0.6
113.02444	4.4
119.03489	4.0
119.44437	0.6
125.02417	1.9
127.07632	4.1
137.02463	0.7
139.66953	0.6
141.09163	1.9
143.30963	0.6
145.08704	38.6
146.09048	1.2
153.05539	0.7
161.02596	0.6
163.03912	0.7
165.01848	1.2
165.21176	0.6
168.00708	0.9
187.09830	1.0
195.06638	1.1
243.02876	1.6
247.15445	0.5
264.14432	0.7
307.13989	100.0
308.14282	7.0
326.09052	0.7
543.21399	0.8
695.21558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
58.00586	1.3
59.01095	1.2
59.01381	17.3
61.98826	0.6
65.92635	0.6
69.49356	1.4
69.49780	3.3
71.01388	9.6
72.99326	1.0
73.02957	0.9
83.01382	1.3
84.02180	0.6
85.02953	2.8
87.00869	0.9
89.02448	10.7
95.01423	0.9
97.06601	1.0
99.08160	10.1
101.02443	7.6
109.02972	0.7
111.00816	0.6
113.02444	4.4
119.03489	4.0
119.44437	0.6
125.02417	1.9
127.07632	4.1
137.02463	0.7
139.66953	0.6
141.09163	1.9
143.30963	0.6
145.08704	38.6
146.09048	1.2
153.05539	0.7
161.02596	0.6
163.03912	0.7
165.01848	1.2
165.21176	0.6
168.00708	0.9
187.09830	1.0
195.06638	1.1
243.02876	1.6
247.15445	0.5
264.14432	0.7
307.13989	100.0
308.14282	7.0
326.09052	0.7
543.21399	0.8
695.21558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01729	1.2
61.98836	3.1
78.95911	0.5
79.06362	0.2
81.18529	0.2
83.67618	0.2
93.92934	0.2
98.20613	0.7
100.98386	0.2
139.96417	0.2
152.99586	0.5
212.11200	0.2
277.21713	6.1
278.22256	0.6
279.23438	0.5
375.23837	0.2
414.21216	0.2
507.83353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.3
60.01722	0.6
61.01814	0.6
61.98832	100.0
65.68903	0.4
68.38274	0.5
69.42646	1.0
69.43051	3.4
78.95941	0.6
91.15025	0.4
101.84310	0.5
138.93944	0.5
199.13557	0.9
277.21805	1.5
278.22128	0.9
279.23511	0.7
672.51556	0.6
688.20258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01384	2.0
59.51706	0.4
61.98833	2.6
66.13490	0.5
67.01884	0.5
69.11518	0.4
71.01385	2.4
71.01747	0.7
81.03462	2.7
82.71732	0.6
83.01380	3.8
85.02937	0.9
87.00856	0.8
89.02434	1.6
93.03467	1.9
95.01394	0.8
95.05033	3.1
97.02956	6.4
99.00849	0.6
99.13224	0.4
101.02458	0.8
108.02190	1.2
109.02959	25.1
110.03250	0.5
111.00881	3.2
112.98837	0.6
113.02447	0.7
116.92850	3.7
117.03470	0.5
119.03506	0.4
121.02951	3.7
122.03753	1.0
123.00877	0.5
123.04525	16.3
124.04870	0.8
125.02450	17.1
126.02825	0.8
131.07118	1.3
135.04506	2.4
137.02435	10.7
138.03271	1.1
139.04007	3.6
142.99879	1.1
145.02960	1.4
146.03723	1.1
147.04503	0.7
149.02437	3.5
150.03174	1.6
151.04025	8.9
152.04369	0.5
157.06566	0.7
159.04570	2.7
160.05261	1.4
161.02446	1.3
161.06065	4.4
162.03214	1.2
163.03963	1.2
164.01132	3.3
165.01936	4.4
166.02678	0.7
167.03546	2.5
173.00934	2.1
173.06055	0.9
174.03198	0.6
175.04008	2.1
175.07619	2.5
177.05545	0.7
179.03499	6.1
185.06113	0.8
187.03981	5.3
188.04773	4.0
199.07651	0.7
201.05551	0.8
202.06311	2.4
203.07127	13.8
204.07472	0.9
205.05061	9.1
206.05399	0.8
217.05011	0.5
217.08586	0.9
221.08246	2.9
221.81915	0.5
227.07118	2.6
230.05881	0.9
243.03044	0.7
245.08180	16.9
246.08429	0.9
247.06053	1.3
289.07175	100.0
290.07489	7.9
293.12384	3.8
323.13428	1.4
327.10751	0.5
342.13562	1.3
478.30429	0.5
499.98364	0.5
683.24194	0.5
696.21039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	0.9
61.09753	0.4
61.98825	5.2
63.71724	0.4
65.95434	0.5
69.49454	1.1
69.49863	1.9
77.42925	0.4
115.73402	0.4
144.55226	0.4
190.63690	0.4
197.11925	1.6
277.21713	6.7
278.22040	0.5
291.23444	1.7
319.22748	0.5
500.56870	0.4
577.66650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51651	0.3
59.01384	15.3
61.33871	0.3
61.98836	100.0
93.22835	0.3
98.20636	0.8
102.24352	0.3
121.09692	0.3
165.52548	0.3
172.99783	0.3
181.00929	0.3
183.62271	0.3
189.15500	0.4
196.68492	0.3
227.20351	0.6
228.20348	0.3
264.33084	0.3
277.21802	2.0
278.22266	0.4
422.95068	0.3
516.07880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97915	0.4
57.03454	2.9
59.01392	0.9
61.98831	1.0
62.53102	0.4
67.01906	0.5
68.99786	0.5
71.01372	0.9
71.62456	0.7
75.65429	0.5
80.02666	0.5
81.03471	2.8
83.01395	3.9
85.02985	0.5
89.02419	0.5
93.03455	1.7
95.01380	0.5
95.05026	3.8
96.96001	0.6
97.02958	6.2
101.02446	1.2
107.05003	0.7
108.02172	1.2
109.02957	21.8
110.03316	1.0
110.92710	0.5
111.00874	1.8
113.02499	0.5
116.92853	1.4
121.02959	3.3
122.03693	0.5
123.04530	14.7
124.01690	0.4
125.02449	15.9
135.04514	1.7
137.02446	10.1
138.03281	0.9
139.04036	3.7
145.02946	1.1
146.03758	1.2
147.04533	1.2
149.02452	4.1
149.04454	0.5
150.03171	1.8
151.04008	9.3
152.04356	0.5
157.06645	0.5
159.04541	3.2
160.05286	1.7
161.02419	1.3
161.06058	4.9
162.03194	1.6
163.03970	1.4
164.01158	3.4
165.01939	3.6
165.31883	0.4
166.02652	0.6
167.03493	1.7
173.06010	0.6
174.03172	0.7
175.03943	2.5
175.07626	1.8
177.05585	0.7
179.03519	6.2
181.05142	0.4
185.06030	1.1
187.04028	4.8
188.04781	3.8
199.04034	0.6
199.07617	0.8
201.05614	0.7
202.06305	2.1
203.07138	13.9
204.07600	0.8
205.05052	7.7
212.04663	0.7
217.08675	0.5
221.08295	2.7
227.07068	2.2
229.04936	0.5
230.05893	0.7
243.03050	4.7
245.08177	17.7
246.08578	1.4
247.06117	1.3
249.08054	2.2
255.03012	0.6
271.06058	1.2
289.07181	100.0
290.07544	9.9
291.07654	0.6
405.06161	0.5
497.68930	0.5
695.21765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40149	0.8
57.03424	1.2
59.01370	1.8
61.98833	2.5
67.81852	1.1
69.03477	1.3
69.40512	7.0
73.88785	1.1
83.05028	2.8
106.31029	1.0
109.02925	1.3
111.00844	1.4
121.06590	1.4
122.03687	1.3
123.00750	1.0
125.02446	2.2
135.08153	7.1
136.62166	1.2
137.02481	2.1
147.08174	1.0
149.06073	2.8
151.04068	1.0
163.00352	1.8
165.01871	1.5
167.03503	1.0
174.06847	1.7
175.73573	0.9
183.08113	1.0
185.06163	1.3
199.11263	2.1
211.04030	1.8
213.05566	1.5
217.12379	2.9
227.03477	24.3
228.03670	1.2
229.05026	3.3
241.05092	1.6
255.02980	41.1
256.03506	5.4
257.04578	3.1
261.11319	26.6
262.11609	2.5
268.69720	1.1
284.03253	49.3
285.04031	53.3
286.04395	2.9
325.34052	1.2
431.09811	100.0
432.10062	12.1
675.25720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.1
59.01388	6.9
61.98832	10.3
69.03445	4.0
71.01361	3.8
71.63627	2.6
72.53297	1.0
73.02947	2.3
81.03453	2.0
82.78609	1.0
83.01382	4.0
85.02950	2.5
87.00873	1.4
89.02422	1.2
91.26483	1.1
93.03461	1.8
95.01398	2.9
96.96019	1.7
97.02952	2.9
99.03854	1.2
99.04504	1.8
99.92586	1.8
101.02437	3.7
106.72697	1.0
107.01429	1.5
108.02229	2.0
109.02948	3.9
111.00878	1.1
113.02422	3.2
116.92867	8.2
117.02006	1.2
121.02937	2.2
123.00221	1.1
123.00909	12.1
123.04506	2.5
124.01662	22.3
125.02450	82.8
126.02783	2.4
136.01662	1.7
137.02415	9.5
149.02382	1.2
149.99588	37.3
151.00293	4.1
151.04080	5.5
153.01929	2.1
153.05563	1.8
161.02429	2.4
161.73355	1.1
163.04076	1.9
165.01912	4.1
167.03461	3.4
168.00641	70.6
169.01373	8.5
175.03911	1.5
176.01215	1.6
180.04245	1.4
185.06032	1.4
191.03412	1.8
195.06566	3.3
223.06024	2.5
241.05029	2.1
253.04836	2.3
253.63449	1.1
265.14359	4.7
267.10016	1.6
271.09561	1.9
281.14044	1.3
289.07086	3.2
301.10370	1.3
304.33163	1.2
313.05615	5.1
331.06708	8.6
337.49185	1.2
355.07117	1.3
373.12741	1.8
411.53183	1.1
449.14963	2.2
693.22449	100.0
694.22931	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	693.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75885	0.9
55.19332	0.8
57.03440	2.1
59.01384	14.5
60.46481	0.8
61.98833	24.6
69.03446	1.0
69.93907	4.9
71.01385	10.4
72.99306	1.2
73.02947	1.8
76.22010	0.8
83.05032	1.3
85.02948	3.6
87.00894	2.0
87.05153	0.9
88.98804	1.9
89.02452	9.4
97.02968	1.5
101.02457	9.1
113.02454	3.7
115.07693	0.8
119.03484	3.3
125.02435	2.5
143.03481	2.1
161.04553	1.2
167.03680	0.9
171.10249	1.7
179.05582	2.2
182.31311	0.8
195.13898	12.1
223.83833	0.9
235.08255	2.4
253.09204	0.9
277.21732	9.6
287.07709	1.0
295.22778	100.0
296.23129	10.4
397.13501	19.2
398.13849	2.5
415.14578	18.9
416.15021	2.1
693.36816	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	693.37
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36098	0.4
53.06945	0.4
57.03466	0.6
59.01385	16.1
61.98834	10.7
68.81168	0.4
69.03452	0.4
71.01389	11.4
71.63434	0.5
72.99311	1.3
73.02939	1.7
78.95910	0.5
82.08063	0.4
82.34926	0.4
83.01359	0.9
85.02963	2.7
87.00869	2.4
89.02455	10.2
95.01402	0.7
97.02940	1.3
99.00934	0.7
101.02455	8.4
113.02457	5.5
113.09745	1.3
119.03506	3.1
125.02466	2.8
130.75206	0.4
131.03523	0.6
134.98503	0.4
143.03500	1.1
147.69275	0.4
161.04582	2.0
171.10254	1.3
177.12849	0.6
179.05621	2.7
179.14388	0.8
195.13914	11.9
196.14268	0.9
211.13318	1.0
221.06656	0.9
235.08186	2.6
253.09236	0.6
263.07745	0.8
277.21738	12.9
278.22067	0.9
287.07739	0.5
295.22787	100.0
296.23135	8.6
296.26224	0.9
305.08838	0.7
397.13528	20.9
398.13898	1.4
415.14600	21.7
416.14896	1.9
693.36621	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21873	0.1
55.98413	0.1
59.01371	0.3
61.98831	100.0
62.98533	0.3
63.99259	0.3
64.91157	0.1
71.00855	0.2
71.01397	0.2
81.36407	0.1
85.02964	0.2
88.98808	0.1
101.02447	0.1
114.93484	0.2
123.04545	0.2
125.02473	0.1
137.02405	0.1
183.13916	0.1
249.97133	0.1
284.03409	0.1
285.03992	0.1
315.13776	0.1
545.92657	0.1
616.16046	0.1
629.39191	0.9
630.39484	0.3
674.34540	0.1
692.35785	0.1
693.37579	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	692.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35797	0.2
53.77542	0.2
55.54057	0.2
59.01377	2.0
60.01733	0.2
61.98831	100.0
78.95926	0.7
87.30398	0.2
98.19846	0.6
99.08421	0.2
111.08736	0.2
114.40681	0.2
118.71999	0.2
121.74490	0.2
152.99571	0.4
154.00011	0.2
197.11876	0.5
277.21765	1.5
278.16876	0.2
278.22153	0.4
288.52014	0.2
337.94485	0.2
403.52420	0.3
566.67859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16125	1.2
55.09796	1.4
57.03437	4.7
59.01386	8.2
61.98823	4.4
62.20073	1.2
69.03436	2.3
69.69160	3.0
69.69569	6.0
71.01388	6.0
81.03452	3.5
83.01393	6.5
83.69057	1.3
85.08649	1.2
89.02435	4.9
93.03445	4.5
95.01381	5.6
95.05035	7.6
97.02947	5.6
98.01517	1.4
100.56322	1.6
101.02435	1.7
109.02949	25.4
111.04504	5.2
113.02405	1.7
113.06083	3.5
119.05015	5.3
121.02974	6.1
123.00885	9.0
123.04549	3.5
124.01685	6.0
125.02446	64.1
126.02785	3.0
133.02876	1.3
133.06647	1.6
135.04533	3.0
135.55653	1.2
137.02446	36.0
137.06064	2.2
138.03264	8.4
139.04028	23.2
140.04262	1.7
145.06557	1.5
147.04585	2.6
149.02391	6.2
149.06047	3.1
151.04025	6.6
153.01881	1.8
153.05504	2.3
159.04543	1.6
161.02396	7.3
163.00362	2.4
163.04019	7.7
164.01158	8.6
165.01927	23.6
166.02716	1.4
167.03499	17.5
173.05998	1.9
174.03226	2.3
175.03995	7.8
176.01123	2.4
176.04675	2.3
177.01917	37.1
177.05498	6.1
178.02473	2.2
179.03488	18.0
180.03867	1.5
181.03604	2.1
181.05072	24.3
182.05354	1.3
189.05540	2.5
191.03458	4.9
193.05066	2.5
199.04089	1.7
201.05623	1.5
203.03476	5.5
204.04247	3.0
215.03482	1.8
217.04971	2.7
218.05847	2.2
219.02980	3.8
219.06621	16.1
220.03696	3.1
221.04552	12.9
222.04881	1.5
229.00066	1.6
233.04544	4.1
233.08052	1.7
235.06097	1.6
237.07722	3.1
243.06493	2.0
245.04558	2.3
257.04474	1.8
261.03958	1.6
261.07739	3.6
263.05612	4.9
269.04471	1.8
285.04059	2.2
287.05447	2.1
289.07153	3.9
297.04138	1.4
300.06259	1.5
305.06650	100.0
306.06958	7.3
315.08685	6.0
317.10220	3.8
318.91547	1.3
340.05746	1.4
341.06525	4.5
355.08206	5.7
359.07687	12.9
373.09451	1.7
416.53189	1.4
484.36035	1.3
495.12958	23.3
496.13208	3.2
513.14178	2.5
520.28815	1.3
525.16443	3.5
526.15973	2.1
539.14026	8.3
540.14001	1.8
548.08344	1.4
649.21490	3.6
675.19348	2.0
679.10498	1.5
693.20367	79.1
694.20740	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03446	0.5
58.00610	0.5
59.01383	15.9
61.98836	8.6
69.03453	1.2
70.42218	0.6
70.42612	0.7
71.01389	13.7
71.05029	0.4
72.99303	1.5
73.02950	2.3
83.01399	1.5
85.02950	3.5
87.00891	2.9
89.02449	11.8
91.03994	0.4
95.01397	0.9
97.02912	1.6
99.00895	0.9
101.02444	9.5
106.54241	0.3
107.03685	0.3
108.10139	0.3
111.04525	0.4
111.43923	0.3
113.02454	4.3
119.03511	3.0
125.02451	3.0
131.03500	0.9
137.02411	0.3
143.03519	1.9
160.71184	0.4
161.04559	2.2
179.05595	2.8
179.14484	0.6
185.04572	0.5
195.13899	7.8
196.14493	0.5
205.12376	0.7
211.13419	0.8
221.06609	0.9
223.13394	5.7
228.13684	0.5
235.08252	3.3
253.09305	1.7
256.13217	1.0
263.07745	0.6
275.20169	4.6
293.21234	100.0
294.21539	10.0
305.08752	0.6
323.09576	0.4
397.13510	21.5
398.13901	1.9
415.14572	25.5
416.14719	2.0
625.51703	0.3
654.27106	0.4
691.35657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01599	3.6
51.68674	4.1
53.04554	4.0
61.12653	3.8
63.09225	3.6
71.02719	9.7
78.95903	83.3
96.96998	5.2
112.14675	3.9
113.60917	3.8
152.99585	49.8
248.34148	3.9
277.21722	100.0
278.21979	10.7
413.20941	47.1
431.22015	25.4
691.43274	10.0
706.30090	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	691.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76699	0.7
59.01384	100.0
60.01713	1.1
61.98829	5.8
71.09393	0.6
71.11136	0.8
71.11501	1.3
78.95908	4.7
94.68005	0.6
97.58082	0.6
109.57314	0.6
127.94434	0.6
140.90146	0.6
152.99588	5.0
164.92180	0.6
172.43820	0.6
184.82161	0.6
209.11763	3.0
277.21719	23.3
277.24710	1.2
278.22256	2.4
413.21271	1.5
422.34030	0.6
455.16672	3.3
691.38104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26655	1.0
59.01382	100.0
61.98832	15.3
78.95927	2.5
80.48653	1.0
88.90990	0.9
152.99553	2.5
168.85306	1.0
209.11819	2.4
227.20183	2.0
244.78662	1.0
277.21722	12.9
278.22101	2.3
291.23291	2.7
331.26465	1.1
455.16718	3.3
691.37799	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	691.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98835	44.6
70.46420	0.7
71.01387	1.9
71.62185	1.2
71.70078	0.8
73.02946	1.6
78.78727	0.7
78.95914	4.3
80.42352	0.8
85.02962	0.8
91.56899	0.8
108.62359	0.7
113.02534	0.8
139.07741	1.1
152.99568	2.2
216.09622	0.8
255.23198	0.9
277.21695	15.2
278.22107	1.6
279.23312	12.8
280.23633	1.5
293.24869	11.1
294.25226	1.7
303.23337	1.6
321.24396	3.0
337.23846	1.0
413.20972	1.1
616.36871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03452	0.6
58.00589	0.6
59.01385	18.5
60.01717	0.4
61.98838	12.6
69.03450	0.9
71.01390	13.5
71.63272	0.3
72.99310	1.4
73.02962	2.4
75.00864	0.5
78.89279	0.3
81.03445	0.6
83.01388	1.3
83.05015	0.7
85.02959	2.3
87.00869	2.6
89.02452	12.1
91.04006	0.3
95.01387	1.2
97.02367	0.2
97.02956	2.0
99.00868	1.1
101.02453	9.8
111.04552	0.6
113.02458	5.8
115.04005	0.3
119.03508	3.7
125.02440	3.7
126.67632	0.3
127.03996	0.4
131.03532	0.7
141.01996	0.4
143.03520	1.8
161.04623	1.8
165.90086	0.3
167.03494	0.4
167.10742	0.4
177.12862	0.4
179.05620	2.6
179.14410	0.8
183.10197	0.3
195.13914	7.7
196.14551	0.8
205.12364	0.7
211.13403	0.8
217.06924	0.3
221.06659	1.0
223.13411	5.0
224.13814	0.7
228.13617	0.8
235.08263	2.8
242.35951	0.3
253.09300	1.4
256.13251	0.9
262.30057	0.3
263.07532	0.4
265.21771	0.4
275.20139	3.8
276.20627	0.5
287.07629	0.6
293.21246	100.0
294.21567	10.7
305.08801	0.9
323.09955	0.5
397.13525	20.6
398.13876	1.9
415.14590	24.8
416.15051	1.9
587.40521	0.6
611.37793	0.4
613.38611	1.0
654.27191	0.5
673.40979	0.5
691.35327	1.0
692.35614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93211	0.5
51.01821	0.6
57.03454	3.2
59.01376	1.6
61.98824	2.0
63.02724	0.5
67.01885	0.6
69.03457	0.9
71.01373	1.5
71.63570	0.8
74.99093	2.1
75.05292	0.5
79.05557	0.5
81.03465	3.1
83.01390	3.7
86.59588	0.5
87.56285	0.6
89.02447	0.5
93.03474	1.7
95.01371	0.8
95.05016	2.6
96.96008	1.3
97.02962	5.5
97.06572	0.7
97.18994	0.5
99.04514	0.9
101.02428	0.7
106.08889	0.5
108.02198	1.4
109.02961	23.2
110.03291	1.2
111.04510	0.7
117.03458	0.5
119.05009	0.8
121.02959	2.5
122.03739	0.8
123.04528	14.1
124.04833	1.1
125.02450	18.0
126.02793	0.7
133.03001	0.9
135.04524	2.7
136.99146	1.6
137.02452	12.4
137.05904	0.6
138.03194	0.8
139.04031	3.5
140.04280	0.5
140.68924	0.6
145.02971	1.3
146.03735	1.0
149.02472	4.1
150.03195	1.5
151.04016	9.9
152.04196	0.6
159.04512	2.2
160.05344	1.2
161.02419	4.0
161.06094	5.4
162.03093	2.0
163.03990	2.1
163.44167	0.5
164.01126	3.7
165.01924	4.1
165.05600	0.7
166.02498	0.9
167.03482	2.2
173.06108	0.9
174.03218	0.8
175.04001	2.4
175.07651	1.8
177.01973	0.9
177.05510	0.8
179.03482	5.7
185.06088	0.5
187.04027	4.2
188.04732	4.1
199.07678	0.7
201.05612	0.9
202.06319	1.6
203.03578	0.8
203.05350	0.8
203.07153	12.3
205.05055	7.3
206.05537	0.7
209.08199	0.9
212.04897	0.8
217.08698	0.7
221.08266	2.6
227.07146	1.8
229.05199	0.7
230.05690	0.8
231.02937	0.7
238.10895	5.2
239.11156	2.2
245.08197	16.3
246.08479	1.6
247.06224	0.9
271.06189	0.8
285.09903	0.8
289.07181	100.0
290.07513	12.5
299.05637	0.7
387.13013	0.7
400.13892	1.6
401.14404	1.2
402.15659	1.2
408.08035	1.0
426.08658	0.6
451.10254	1.4
452.10724	1.8
521.16174	3.3
538.16095	0.6
539.17377	2.4
578.13660	1.2
691.22180	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	689.427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.3
59.01382	100.0
60.01720	0.8
61.98833	2.5
71.01387	1.8
73.02959	1.1
75.00881	0.3
83.01416	0.4
85.02941	0.3
89.02492	0.3
93.08869	0.3
98.19879	0.5
101.02471	0.7
113.02436	1.2
125.06204	0.3
140.10287	0.2
161.04532	0.4
255.21053	0.3
259.20749	0.3
267.41479	0.3
273.22327	1.3
277.21719	13.9
278.22092	1.2
291.23309	11.6
292.23718	1.1
301.21704	1.5
302.22156	0.5
319.22757	3.8
349.24045	0.3
373.24060	0.4
599.20007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28801	0.6
59.01384	100.0
60.01723	1.3
61.98835	18.0
71.01379	0.7
81.81641	0.5
85.02399	0.4
88.85711	0.5
98.20670	0.8
101.02531	0.5
144.32039	0.5
160.52180	0.5
191.25890	0.5
255.23308	34.6
256.23572	3.1
277.21698	0.6
298.14386	0.5
391.23380	0.7
494.18292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
60.99325	1.1
61.98833	22.5
66.69125	1.0
69.36501	6.9
73.02940	0.9
78.95911	3.1
88.98822	6.8
101.24677	0.8
116.92855	3.9
125.02409	0.9
152.99620	2.0
195.13895	3.5
209.11856	1.3
452.14722	2.5
481.14804	5.7
482.15546	1.4
493.15283	1.1
495.16684	10.0
496.17050	2.9
498.17160	0.9
508.17560	1.2
509.17834	1.2
535.16083	1.6
536.16882	2.2
537.17133	1.1
538.14673	0.8
540.16571	2.1
551.19409	28.1
552.19653	11.0
554.18976	2.7
555.19531	1.2
572.15576	2.9
573.15442	1.1
586.17139	2.7
595.18329	3.0
596.17548	1.1
627.20972	100.0
628.21313	31.3
630.01733	0.9
630.21155	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	690.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01056	0.2
57.03460	0.2
59.01369	0.6
61.98830	100.0
62.98547	0.2
69.27235	1.3
69.27643	0.4
71.01372	1.1
72.01693	0.2
83.01413	0.2
87.00874	0.2
89.02440	0.2
94.35574	0.2
98.19843	0.4
109.02898	0.3
115.03113	0.2
121.00838	0.2
121.02973	0.2
123.04480	0.2
125.02426	0.3
137.02451	0.3
139.04066	0.2
148.60475	0.2
151.03992	0.2
161.06039	0.2
163.11343	0.2
171.10275	0.4
183.97852	0.2
185.11877	0.2
207.10286	0.3
209.11807	1.4
210.12201	0.5
225.11305	0.5
226.11742	0.2
227.12827	0.3
253.09261	0.2
264.64063	0.2
289.07260	0.3
302.07666	0.2
371.18198	0.2
375.22440	0.2
506.61133	0.2
529.71930	0.2
627.37640	0.7
690.23016	0.2
690.33008	0.9
691.35522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26447	0.7
57.03438	3.2
60.22896	1.0
62.13827	0.8
69.03458	1.0
80.02683	0.8
81.03447	3.7
83.01377	3.9
93.03463	3.1
95.01402	0.7
95.05038	3.2
97.02968	6.9
99.04550	0.7
104.74445	0.7
105.25066	0.7
107.05074	0.6
108.02172	1.2
109.02203	1.5
109.02959	30.5
121.02934	3.6
122.03764	1.4
123.04541	18.0
124.04889	0.9
125.02447	20.7
126.02804	0.8
135.04497	2.4
137.02451	13.0
139.04036	4.1
143.56323	0.7
145.02957	2.0
146.03667	1.6
146.21620	0.7
147.04488	0.8
149.02461	5.8
150.03169	1.5
151.03995	10.2
159.04524	4.2
160.05321	2.7
161.02419	1.6
161.06128	6.4
162.03093	1.6
163.04025	1.1
164.01152	4.5
165.01846	4.6
166.02736	0.9
167.03528	2.2
173.06073	0.9
174.03178	1.6
175.03979	2.6
175.07611	2.2
179.03458	6.3
185.06007	1.4
187.04028	6.4
188.04771	4.6
199.07710	1.1
201.05554	1.0
202.06285	2.3
203.07126	17.2
204.07498	0.8
205.05086	10.1
212.04808	0.8
217.08690	0.9
221.08215	3.8
227.07127	3.1
230.05817	1.2
245.08165	21.7
247.06061	1.3
267.63477	0.7
271.06070	2.0
289.07187	100.0
290.07520	6.7
318.00122	0.8
473.72949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27475	0.6
55.01875	1.4
57.03450	1.2
59.01381	100.0
59.58277	0.6
60.01709	1.3
61.98835	20.6
67.46658	0.6
70.91831	1.7
71.01384	16.5
72.99329	1.9
73.02950	3.7
83.01403	2.4
83.05030	12.2
85.02956	6.7
85.06604	1.4
87.00883	1.2
88.98827	1.2
89.02457	2.9
95.01395	1.5
95.05049	0.6
97.06571	0.8
99.00890	1.6
99.04523	2.9
101.02449	8.6
101.06057	0.7
109.03004	0.8
111.00892	1.4
111.04528	9.0
113.02442	6.0
119.03507	0.9
123.08218	0.8
125.02484	1.6
127.04028	14.0
127.07686	1.7
129.05585	13.0
137.02489	0.9
138.03276	0.8
141.09251	4.1
152.04813	2.3
161.04605	1.2
171.10349	1.9
197.11874	1.3
199.13434	1.0
200.78932	0.6
201.11333	0.8
207.10399	1.6
209.11858	6.4
210.12189	0.8
225.11383	2.0
227.12955	1.4
253.09319	1.0
257.11923	0.6
285.03967	0.7
423.34781	1.3
431.31870	1.0
461.31439	1.1
499.33051	2.7
500.33020	0.9
533.36816	0.8
559.35193	2.0
574.06329	0.7
585.40057	26.9
586.40521	5.5
603.41272	0.9
611.37939	43.3
612.38293	7.2
627.40875	2.9
629.39532	2.9
671.40143	19.8
672.40680	4.6
689.31958	1.2
689.41846	10.6
690.42029	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	689.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03450	1.9
59.01381	100.0
60.01705	1.5
61.98833	51.7
66.23158	0.7
71.01388	17.5
71.88699	0.8
72.99329	1.6
73.02940	3.3
75.00877	1.6
78.29987	0.7
78.95923	0.7
83.01387	2.7
83.05028	15.3
85.02949	7.9
85.06593	1.4
87.00860	1.3
89.02441	3.0
95.01382	2.1
97.02963	1.1
99.00870	2.3
99.04504	2.7
101.02454	9.3
101.06062	1.7
111.00853	1.4
111.04525	10.6
113.02444	5.2
119.03534	1.0
125.02509	1.3
127.04012	19.0
127.07639	2.7
129.05574	15.2
129.06450	0.7
137.02419	1.3
138.03256	0.9
141.09245	5.6
143.65688	0.8
152.04784	1.9
161.04562	2.4
171.13875	1.1
180.12259	0.8
209.11732	1.2
224.27367	0.9
291.19705	0.9
297.25226	0.8
370.24741	0.9
405.33673	1.2
423.34802	2.0
461.30997	1.6
499.32837	3.4
533.36908	1.1
557.60962	1.1
559.35077	1.3
585.40063	31.3
586.40808	6.2
611.38013	56.3
612.38373	10.7
627.41467	4.2
629.38861	4.2
630.39557	1.1
645.43060	0.9
671.40076	23.8
672.40588	5.2
689.41510	12.0
690.41479	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	689.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01369	3.0
61.98833	14.2
63.44208	0.8
67.01896	0.9
69.03467	2.2
71.01364	3.0
71.05017	1.4
71.64090	1.3
81.03467	2.5
83.01374	4.7
86.58142	0.9
88.31110	1.0
89.02454	0.8
93.03449	3.3
95.01365	2.4
95.05009	2.5
97.02956	8.3
98.37823	1.0
101.02427	1.5
107.01364	1.5
107.05049	0.8
108.02172	2.6
109.02956	35.2
119.04993	1.1
121.02963	6.3
122.03721	3.2
123.00874	3.2
123.04519	19.4
124.01673	6.5
124.04823	0.9
125.02463	25.2
126.02783	2.7
133.03033	0.9
135.04559	4.1
135.78143	0.8
137.02448	29.4
138.02867	1.0
139.04013	14.2
145.02922	1.7
146.03711	2.1
147.04529	4.1
149.02457	17.6
149.99617	7.1
150.03217	2.4
151.00304	1.3
151.04012	22.8
152.04684	1.3
153.27455	0.9
159.04471	3.6
160.05229	1.1
161.02444	8.1
161.06075	3.8
162.03227	2.2
163.03960	4.3
164.01163	5.0
165.01939	8.5
166.02541	1.5
166.06255	1.2
167.03488	1.5
168.00647	15.1
169.01088	3.4
171.10243	3.9
173.02373	1.4
173.06117	1.6
175.04010	3.2
175.07675	1.3
176.01137	4.9
177.01955	5.2
178.02655	3.0
179.03493	6.5
185.06050	1.6
187.04025	2.7
188.04768	2.5
189.01955	1.5
190.02747	4.8
191.03522	10.8
192.04147	1.3
197.06100	2.0
199.13332	1.1
201.05557	1.1
201.11404	1.1
202.06258	1.6
203.03510	1.4
203.07117	8.9
204.04254	2.8
205.05054	12.9
206.05759	1.7
207.10208	1.2
209.11884	9.3
213.05617	8.9
215.07140	39.7
216.07484	3.1
219.06624	3.0
221.08095	1.0
222.49374	0.9
225.11316	2.9
227.07155	1.8
227.12871	1.9
233.08258	1.0
245.08200	11.4
253.09340	1.4
255.06517	1.1
257.08170	12.6
258.08499	1.1
283.06177	1.1
289.07178	57.7
290.07477	5.1
301.07178	100.0
302.07538	10.0
315.08719	1.5
357.26294	0.9
361.16586	1.1
387.14423	3.0
688.31757	2.5
689.22101	14.9
689.33362	29.5
690.22382	3.7
690.33716	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	687.3962
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
55.93480	0.4
57.03445	0.7
59.01370	1.5
60.01783	0.4
60.41659	0.4
61.98833	8.3
63.99286	0.4
69.53497	3.6
71.01376	0.9
85.02942	1.5
87.00845	0.5
99.04476	0.7
100.91862	0.5
101.02440	0.8
113.02470	0.4
115.34601	0.5
123.04518	1.2
125.02455	0.8
135.08124	0.8
136.05348	0.8
137.02431	0.6
137.09665	0.9
149.06104	5.3
150.06866	42.3
151.07155	2.3
155.10767	0.6
161.09683	0.6
162.06880	0.9
163.07648	9.4
164.08414	8.5
165.05652	0.4
165.09058	0.5
167.10692	0.7
168.00691	0.5
176.08397	0.8
176.72061	0.5
177.09233	0.9
178.10008	2.3
179.10782	22.5
179.12383	1.1
180.11102	1.0
239.16582	0.7
343.24957	1.2
345.22806	4.8
346.23215	0.7
361.16568	0.5
375.27377	1.9
461.32584	0.9
464.31421	5.5
465.31592	1.0
478.32980	0.9
479.33789	8.8
480.33862	1.1
506.32336	1.8
507.33002	2.8
509.35739	0.5
523.51282	0.5
524.33319	3.2
525.34314	27.0
526.34662	4.0
565.05072	0.5
567.35236	0.4
687.39618	100.0
688.39990	21.3
688.52026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26438	7.9
59.01364	25.0
61.98829	100.0
67.18539	8.1
70.01180	17.1
70.01545	30.8
78.95901	26.4
83.05024	8.9
99.29348	8.0
108.22070	8.4
138.33875	9.2
165.66740	9.3
178.80664	8.1
185.71417	8.1
199.17062	10.4
255.23297	29.0
281.24808	8.5
332.65222	8.5
367.21365	14.1
385.23422	9.5
687.45496	42.5
688.44135	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	687.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80549	0.3
59.01381	100.0
60.01712	0.7
61.98834	2.9
64.18169	0.4
69.74301	0.3
70.11893	1.1
71.01388	0.4
98.19861	0.4
120.08557	0.4
207.37029	0.4
255.23288	13.9
256.23721	0.9
389.22003	0.7
403.89032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01369	3.0
61.98833	14.2
63.44208	0.8
67.01896	0.9
69.03467	2.2
71.01364	3.0
71.05017	1.4
71.64090	1.3
81.03467	2.5
83.01374	4.7
86.58142	0.9
88.31110	1.0
89.02454	0.8
93.03449	3.3
95.01365	2.4
95.05009	2.5
97.02956	8.3
98.37823	1.0
101.02427	1.5
107.01364	1.5
107.05049	0.8
108.02172	2.6
109.02956	35.2
119.04993	1.1
121.02963	6.3
122.03721	3.2
123.00874	3.2
123.04519	19.4
124.01673	6.5
124.04823	0.9
125.02463	25.2
126.02783	2.7
133.03033	0.9
135.04559	4.1
135.78143	0.8
137.02448	29.4
138.02867	1.0
139.04013	14.2
145.02922	1.7
146.03711	2.1
147.04529	4.1
149.02457	17.6
149.99617	7.1
150.03217	2.4
151.00304	1.3
151.04012	22.8
152.04684	1.3
153.27455	0.9
159.04471	3.6
160.05229	1.1
161.02444	8.1
161.06075	3.8
162.03227	2.2
163.03960	4.3
164.01163	5.0
165.01939	8.5
166.02541	1.5
166.06255	1.2
167.03488	1.5
168.00647	15.1
169.01088	3.4
171.10243	3.9
173.02373	1.4
173.06117	1.6
175.04010	3.2
175.07675	1.3
176.01137	4.9
177.01955	5.2
178.02655	3.0
179.03493	6.5
185.06050	1.6
187.04025	2.7
188.04768	2.5
189.01955	1.5
190.02747	4.8
191.03522	10.8
192.04147	1.3
197.06100	2.0
199.13332	1.1
201.05557	1.1
201.11404	1.1
202.06258	1.6
203.03510	1.4
203.07117	8.9
204.04254	2.8
205.05054	12.9
206.05759	1.7
207.10208	1.2
209.11884	9.3
213.05617	8.9
215.07140	39.7
216.07484	3.1
219.06624	3.0
221.08095	1.0
222.49374	0.9
225.11316	2.9
227.07155	1.8
227.12871	1.9
233.08258	1.0
245.08200	11.4
253.09340	1.4
255.06517	1.1
257.08170	12.6
258.08499	1.1
283.06177	1.1
289.07178	57.7
290.07477	5.1
301.07178	100.0
302.07538	10.0
315.08719	1.5
357.26294	0.9
361.16586	1.1
387.14423	3.0
688.31757	2.5
689.22101	14.9
689.33362	29.5
690.22382	3.7
690.33716	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	687.396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96901	0.6
51.63731	0.5
54.84951	0.6
55.01888	1.6
57.03437	1.4
58.00604	0.7
59.01379	100.0
60.01691	0.6
61.59269	0.6
61.98829	25.6
69.31535	1.8
69.31954	3.2
71.01385	15.2
72.99311	1.3
73.02943	4.0
75.00884	0.6
83.01382	3.0
83.05022	12.8
85.02444	0.9
85.02950	8.4
85.06573	0.9
85.33713	0.6
87.00880	1.1
88.98806	0.9
89.02438	3.3
95.01400	1.4
97.02897	0.7
99.00900	1.7
99.04520	2.7
101.02444	8.2
101.06083	1.1
104.13014	0.5
109.02953	0.6
109.06584	0.7
111.00863	1.0
111.04512	8.3
113.02444	5.9
119.03516	0.7
125.02464	1.3
127.04008	16.9
127.07659	1.7
129.05585	14.8
129.06548	0.7
136.05312	0.7
137.02467	0.9
141.09212	4.6
151.04050	0.6
152.04774	1.7
159.03090	0.7
161.04578	2.3
165.05482	0.6
165.09251	0.8
165.12819	0.8
171.10287	0.7
209.11809	1.4
235.08263	0.6
239.36823	0.6
247.72852	0.6
311.66821	0.6
337.27591	0.7
403.32092	1.2
421.33325	2.0
459.29977	0.9
465.35809	1.6
497.31485	2.4
515.32483	0.9
531.35217	0.7
557.33551	2.9
558.33484	0.7
559.34845	0.7
581.44177	0.7
583.38489	34.1
584.38898	6.4
601.39014	0.7
603.52991	0.7
609.36371	42.0
610.36713	6.9
625.39490	3.2
627.37500	3.9
669.38599	14.8
670.39423	2.2
687.40082	8.8
688.40088	1.7
696.22882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15252	0.4
52.92702	0.4
57.03451	1.2
59.01391	2.3
60.61564	0.4
61.98832	100.0
63.99265	0.5
70.59228	0.4
71.01380	2.2
71.05009	0.4
71.65256	0.5
75.00923	0.5
78.95927	0.4
80.94672	0.4
83.01419	1.6
83.05009	0.5
85.02968	1.7
87.00887	0.5
88.98794	1.1
89.02462	1.5
93.03464	0.6
99.04581	0.5
101.02466	1.6
108.02162	2.6
109.02967	3.6
111.00931	0.5
111.04500	0.6
113.02428	1.0
116.92857	0.6
119.03515	0.6
119.05022	0.7
121.02983	0.8
122.03728	0.5
123.00914	0.8
123.04573	1.3
123.08214	0.6
124.01689	0.7
125.02456	4.4
135.04588	0.6
135.08199	0.6
137.02426	2.7
149.02420	0.4
149.06071	3.1
149.99612	1.4
150.06863	31.7
151.00369	0.9
151.04077	1.6
151.07283	1.0
152.01169	2.0
153.01985	1.1
161.02478	1.0
162.06834	0.7
163.03993	0.8
163.07634	5.7
164.04871	0.6
164.08418	5.9
165.01978	2.0
165.08865	0.4
166.02757	0.7
167.03607	0.7
168.00664	1.8
169.01462	0.8
171.10329	0.8
173.06133	0.6
175.04089	0.6
177.09262	0.9
178.10011	0.7
179.10786	13.7
185.06073	0.5
239.12943	0.9
241.05078	1.2
250.41077	0.4
255.06638	0.5
255.12048	0.4
285.04108	0.7
289.07169	0.7
313.10892	0.4
313.23932	0.5
314.19421	0.4
315.21686	6.4
315.24677	0.5
316.22226	0.5
327.21933	1.6
342.13556	0.6
344.12567	3.0
345.22894	0.7
359.15060	6.4
360.15417	0.8
363.85901	0.5
371.24710	0.5
389.25424	1.1
448.32098	0.9
463.34262	0.8
477.32523	1.9
478.33197	0.7
480.30948	0.5
489.31998	0.7
494.32626	1.0
495.33237	6.2
495.39944	0.6
496.33704	0.7
506.32730	1.2
507.33328	5.1
508.33994	0.6
524.33685	2.4
525.34094	6.2
526.35132	1.1
549.34735	0.9
566.09979	0.4
627.33838	1.2
670.38715	0.5
687.40082	62.4
688.40594	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	687.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75385	0.8
56.35172	0.7
57.03460	1.5
59.01385	4.5
60.58897	0.7
61.98837	29.5
69.03434	3.4
71.01382	4.5
71.63687	0.7
71.64087	0.9
76.28028	0.9
78.95870	1.1
81.03443	0.7
83.01376	2.7
85.02930	1.3
88.98783	1.1
89.02418	1.5
93.03430	2.2
95.01368	3.5
96.96024	6.7
97.02960	4.9
98.44776	0.7
99.00903	1.5
101.02423	2.4
107.01383	1.9
108.02193	5.2
109.02961	6.6
111.00899	0.8
113.02456	0.8
121.02966	1.7
122.03712	1.9
123.00917	8.9
123.04546	4.8
124.00848	1.4
124.01675	20.2
125.02457	49.4
126.02766	1.6
136.01691	1.2
137.02440	10.5
139.00325	1.0
139.03955	1.0
145.02962	0.7
147.16823	0.9
149.02434	2.4
149.06059	1.6
149.99597	27.6
150.03175	4.3
150.06871	3.9
151.00385	5.7
151.04068	3.9
151.07224	1.3
152.01178	5.6
153.01842	3.0
155.10835	0.8
161.02477	1.1
163.04001	0.9
164.01131	1.9
165.01923	5.5
165.05519	3.5
165.09084	0.8
167.03438	1.9
167.28340	0.7
168.00642	50.6
169.01372	6.1
175.03999	1.1
179.03453	1.1
179.10707	1.8
181.04979	1.0
191.07054	1.0
195.06578	2.8
205.05045	1.3
209.11737	1.1
217.21472	0.8
233.08522	40.8
234.08813	2.2
244.38188	1.0
285.04086	1.5
289.07117	1.4
373.25958	4.7
375.27280	1.5
389.25525	1.7
507.23538	1.0
686.38165	1.3
687.31824	100.0
688.32513	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	686.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26659	0.2
56.45359	0.3
57.17777	0.2
59.01384	1.1
61.98833	100.0
69.39105	0.8
69.39532	1.6
78.95925	0.5
152.99591	0.4
156.75113	0.2
157.73029	0.3
160.86012	0.3
248.18639	0.3
255.23372	0.4
279.23318	0.4
318.75275	0.3
330.13901	0.3
501.34375	0.3
534.53156	0.3
626.35425	0.4
686.41571	0.3
687.32697	0.4
687.44684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46338	0.8
59.01392	6.2
61.98834	100.0
69.61384	4.9
69.61800	1.8
76.76266	0.9
78.95914	1.3
94.94981	0.8
112.12179	0.9
121.36661	0.9
139.09474	1.0
211.70470	0.9
247.51794	1.0
255.23232	7.3
279.23218	1.6
280.23654	1.3
281.25006	1.5
513.76672	1.0
516.85077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.4
61.98520	1.5
61.98833	25.5
62.68678	0.9
69.03445	3.8
70.29581	1.9
70.29967	1.7
71.01382	4.5
72.56187	0.9
78.95927	1.1
81.03458	1.5
83.01391	1.9
85.02947	1.6
88.98807	1.1
89.02427	1.7
91.11665	0.9
93.03477	1.7
94.54108	0.9
95.01363	2.4
96.95986	3.6
97.02941	3.5
98.02439	0.9
101.02437	2.6
107.01392	1.7
108.02163	3.7
109.02971	4.1
113.02420	1.6
119.03507	1.3
121.02950	2.0
122.03723	2.6
123.00906	8.5
123.04559	5.1
124.00855	1.1
124.01684	17.5
125.02453	53.7
126.02747	2.0
135.04491	1.4
136.01633	1.3
137.02446	8.3
139.03947	1.0
149.02419	2.6
149.99596	29.8
150.03215	6.8
151.00310	3.6
151.03964	3.8
152.01166	4.8
153.01909	2.4
161.02388	1.6
161.05980	0.9
165.01978	4.3
165.05589	8.9
167.03413	2.2
168.00645	56.2
169.01401	7.5
171.10220	1.2
175.03931	1.2
178.91962	0.8
179.03508	1.8
179.10672	1.4
181.05028	1.1
185.11778	1.0
195.06624	5.5
205.05028	1.2
233.08530	28.3
289.07126	2.3
313.05710	1.8
325.24048	1.2
359.24283	1.2
373.25842	3.8
375.27457	2.3
389.25378	1.0
439.39233	0.9
540.36865	0.9
669.31024	1.1
687.32043	100.0
688.32617	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	686.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98836	40.5
65.00336	0.8
70.23137	0.4
71.01400	0.5
87.34661	0.5
103.36360	0.5
107.01386	0.9
111.15343	0.5
135.00900	0.5
150.54655	0.6
151.00348	2.3
171.04491	0.7
183.04492	0.7
185.02444	0.5
199.03993	2.0
211.03989	0.6
215.03519	1.0
227.03514	3.1
230.03587	0.4
242.02225	2.2
243.02995	17.6
244.03593	2.0
245.04172	0.5
254.02235	0.7
255.02994	11.3
256.03357	1.3
257.04562	2.8
270.01694	2.9
271.02478	29.9
272.03113	3.6
285.04034	4.7
286.04636	1.6
287.05624	1.2
299.01987	26.9
300.02737	26.0
301.03119	1.9
314.04340	33.2
315.05093	68.1
316.05414	5.7
464.93832	0.6
533.20361	1.8
534.20776	2.0
535.20502	0.6
623.16180	100.0
624.16486	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11440	0.5
57.03431	0.7
59.01391	4.0
61.98836	46.7
71.01391	3.6
71.63526	0.9
72.99292	0.8
73.02956	0.9
83.01392	1.3
85.02966	1.6
87.00867	0.9
88.98811	3.4
89.02484	1.3
93.03484	1.3
95.05038	0.8
96.96027	2.1
97.02942	0.8
97.06596	1.5
99.04543	1.4
101.02449	1.0
108.02187	1.0
109.02956	1.1
113.02474	0.9
119.05035	0.7
121.02963	2.0
122.03749	1.2
123.04542	2.8
123.08198	2.7
124.01678	1.4
125.02447	3.2
125.09790	0.7
135.04503	0.7
137.02426	1.7
145.03018	0.7
147.04552	1.0
149.02461	0.7
149.06082	2.6
149.99565	1.1
150.06882	39.9
151.00359	0.7
151.04066	0.7
151.07306	1.0
152.01141	0.8
153.01909	0.7
161.06116	0.8
162.06868	1.1
163.04001	1.6
163.07648	7.2
164.08450	6.4
165.01950	1.3
165.05562	1.2
165.08856	0.7
167.03510	1.3
168.00728	2.0
169.05045	1.2
177.09222	0.9
178.09988	1.8
179.03568	1.7
179.10791	18.2
180.11157	1.1
201.11429	0.9
229.10919	1.0
233.08540	8.9
234.08937	0.8
289.07364	0.7
320.19974	2.3
335.22360	1.2
341.23291	0.9
343.21307	3.5
361.16629	5.5
364.22470	2.6
371.24597	1.1
373.25967	2.9
427.79684	0.8
441.30420	1.4
459.31445	1.0
462.29913	1.8
477.32401	5.7
505.31839	2.8
522.32239	2.5
523.32770	23.3
524.33484	3.8
685.38232	100.0
686.38544	22.1
686.50507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07992	23.0
61.42905	22.9
61.98822	100.0
71.30380	42.9
71.30744	19.8
80.93218	22.1
87.22494	19.8
123.28022	22.9
129.49350	22.9
138.43480	20.6
147.46877	22.9
219.48703	24.6
279.22842	45.2
548.18268	25.8
685.43646	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67355	1.7
58.10604	1.7
59.01380	100.0
61.98830	24.8
71.64398	2.6
75.00869	2.0
78.95914	8.3
99.95909	1.6
116.92841	2.1
127.85764	1.7
152.99568	2.1
195.39816	2.1
227.07016	2.6
237.96640	1.8
253.21677	13.4
254.22163	1.8
254.69131	1.6
255.23358	9.1
277.21704	4.9
279.23245	7.6
281.24792	2.5
319.22720	2.1
339.03174	1.9
347.18399	2.8
365.19800	2.3
391.22211	2.3
685.43695	9.9
686.43817	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99913	0.5
57.03455	0.9
59.01379	2.6
61.98837	19.5
63.04384	0.5
69.47148	1.1
69.47563	2.9
71.01390	1.3
83.01385	0.7
85.02953	1.0
87.00857	1.2
88.98814	1.3
89.02458	1.9
93.03467	0.6
96.96016	1.5
97.06594	0.7
99.04523	0.8
101.02432	0.9
108.02183	1.0
109.02961	1.5
111.08160	0.7
111.96539	0.4
112.26519	0.4
113.02434	1.4
113.06145	0.6
121.02952	0.7
122.03792	0.6
123.00879	1.2
123.04497	1.5
123.08167	0.8
124.01648	1.8
124.04839	0.5
125.02460	4.1
125.09756	0.5
127.11295	0.6
135.08148	0.5
136.05339	0.7
137.02446	1.8
137.09692	1.2
138.03275	0.6
139.04013	0.6
145.02939	0.6
149.02405	0.8
149.06088	1.4
149.99599	1.6
150.03235	1.3
150.06876	36.4
151.03999	1.3
151.07310	1.5
152.01172	1.1
153.01935	0.7
161.02422	0.6
161.09705	0.6
162.05582	0.5
162.06898	1.2
163.03981	0.8
163.07654	6.5
164.08446	7.9
165.01846	0.6
165.05620	0.8
165.08867	0.4
167.03503	1.4
168.00653	3.4
174.03201	1.1
175.03928	0.9
176.08406	1.1
177.09131	0.7
178.09958	1.5
179.10779	17.5
180.11098	1.1
189.05544	2.4
190.05922	1.3
193.08813	0.5
195.06561	0.7
201.11343	1.6
230.04582	1.9
231.04933	1.6
233.08528	6.9
263.31912	0.5
289.07239	1.1
306.18390	0.8
308.09406	0.6
309.09485	0.5
320.19788	0.6
321.20822	1.0
327.08359	0.9
336.08813	1.0
337.09317	1.6
338.09662	2.1
339.10114	0.8
341.23358	0.8
342.10501	0.7
343.21353	4.8
350.20963	0.6
351.11108	0.8
352.11722	2.0
353.12161	2.4
354.12683	1.2
365.76920	0.4
373.25916	1.0
426.22888	0.5
439.27875	0.5
459.31607	0.9
462.29962	2.9
471.10474	0.5
477.32288	7.9
478.32526	1.4
483.49295	0.5
491.15210	0.6
504.30826	0.6
505.31711	1.6
506.17316	1.1
510.91946	0.5
520.19470	0.6
521.20087	2.0
522.20490	2.5
522.32135	1.9
523.20135	1.0
523.32770	25.4
524.33203	5.1
685.27502	12.9
685.38123	100.0
686.28369	1.9
686.38568	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01377	6.8
61.98834	50.7
69.03458	4.2
71.01379	4.4
71.63177	1.1
73.02938	0.9
74.90722	0.7
75.00883	0.7
81.03446	1.0
83.01369	3.1
85.02929	2.6
88.98819	4.2
89.02449	2.0
93.03417	0.7
95.01382	3.3
96.96027	1.1
97.02950	3.2
101.02450	3.1
107.01381	1.5
108.02149	2.0
109.02945	2.8
109.98579	0.9
113.02435	2.1
116.92867	1.4
121.02930	1.4
122.03749	0.9
123.00887	9.0
123.04544	2.8
123.54023	0.9
124.01680	23.0
125.02458	58.2
126.02795	1.7
137.02444	4.6
149.02448	1.6
149.99594	31.4
150.03221	1.1
150.06863	0.9
151.00378	5.8
151.03929	1.8
152.01155	0.9
155.10770	1.1
161.02489	1.5
161.06010	1.0
163.03986	1.3
164.04774	0.8
165.01897	2.7
165.05502	1.4
167.03540	2.3
168.00655	68.2
169.01363	7.0
171.10291	1.3
199.09831	1.1
205.05072	1.1
210.24034	0.9
241.10898	0.8
313.05704	1.0
327.21432	0.9
335.14542	0.9
341.23514	1.1
355.24957	2.3
359.36676	0.9
371.24435	2.6
373.25986	5.0
375.27573	2.9
419.22168	0.9
505.22382	1.3
685.30609	100.0
686.31079	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60235	0.4
50.65641	0.3
54.50054	0.5
54.99439	0.3
55.34023	0.4
57.03444	0.5
58.48000	0.4
58.85377	0.4
59.01389	3.0
61.19862	0.4
61.98836	13.9
65.30011	0.5
69.03468	0.4
71.01380	1.8
71.33829	0.4
72.99272	0.4
73.02960	0.6
82.28971	0.4
83.01360	0.7
85.02957	1.1
89.02455	1.2
93.03472	1.5
98.20588	0.8
101.02452	4.6
108.02208	0.7
109.02979	0.8
113.02473	0.6
113.04042	0.4
116.92836	0.6
121.03014	0.7
123.04532	1.3
124.01682	1.2
125.02493	2.0
137.02457	0.7
149.99579	0.8
151.04054	0.8
157.55104	0.4
161.02339	0.5
161.04555	0.5
161.13420	0.7
165.01886	0.8
165.05554	0.6
168.00633	1.7
191.03348	0.4
193.55275	0.4
205.12344	75.4
206.12674	5.0
208.12640	0.4
213.05594	1.5
249.11331	100.0
250.11659	7.3
301.07419	0.4
355.24808	0.6
373.25934	1.7
435.22455	0.9
597.23004	0.4
625.39459	1.2
685.28839	4.1
686.28101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2713
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
56.59533	0.6
59.01146	0.8
59.01390	9.9
61.98835	10.2
63.01018	0.5
69.04942	0.5
69.63184	4.4
71.01398	6.2
83.01369	1.2
85.02952	1.7
87.00894	1.2
88.98830	1.1
89.02460	6.0
95.01358	0.7
101.02464	4.8
108.02198	0.6
109.02942	1.2
111.00809	0.9
113.02427	2.2
119.03448	0.9
119.04908	0.6
121.02931	0.9
123.00761	0.7
123.04511	1.4
124.01639	3.1
125.02443	2.0
135.04532	3.0
136.96396	0.6
137.02438	4.8
138.03258	0.5
148.01659	0.6
149.02434	1.5
150.03200	0.9
151.04007	15.9
151.05226	1.0
152.04732	0.6
162.03165	0.8
163.04012	34.4
164.04793	13.0
165.01936	0.9
175.04001	0.9
177.01930	3.7
177.05519	0.6
178.02660	2.3
182.70544	0.6
195.02957	5.8
196.03694	1.9
206.02087	0.6
207.02986	8.0
207.10251	0.7
281.11801	0.6
283.13367	1.7
295.35413	0.9
299.16476	2.5
343.15363	1.6
420.28384	0.6
429.60202	0.7
478.22159	1.9
479.22681	0.7
489.17874	1.4
504.19916	2.1
505.20944	1.1
507.18280	1.5
522.20996	8.7
523.21387	1.8
631.26477	0.7
648.43774	0.7
667.26074	0.8
685.27118	100.0
686.27502	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	683.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.8
61.98837	6.5
64.00540	0.6
65.99546	0.6
69.67646	2.7
69.68052	1.3
71.01376	5.3
73.02943	0.9
78.95904	0.7
83.05029	7.5
85.02977	1.1
89.02480	1.6
98.19865	1.2
101.02476	2.9
110.98573	0.8
113.02477	2.4
119.03544	1.0
121.06615	1.3
143.03473	0.8
161.04620	1.2
167.84633	0.7
205.12273	1.2
239.23685	1.2
253.21826	1.0
255.23286	45.6
256.23602	4.0
267.23227	1.6
269.24847	46.2
270.25092	4.0
277.21719	4.0
279.23352	3.7
297.24365	16.1
298.24631	1.4
313.23938	2.2
327.25504	2.7
357.26511	1.3
447.25247	1.2
589.60547	0.7
631.79749	0.7
683.44501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.3
57.03451	7.0
58.00583	1.4
59.01379	22.0
63.96235	6.0
67.01906	3.7
67.25079	1.4
68.99810	1.8
69.03464	9.1
71.01385	30.7
71.61995	1.7
72.99308	7.7
73.02950	13.1
78.98593	16.7
81.03450	3.4
83.01384	15.2
83.05056	2.5
85.02954	75.0
86.03290	2.2
87.00878	100.0
88.01231	1.6
89.02469	2.5
90.32696	1.6
95.01398	25.1
96.96040	5.0
97.02956	27.5
99.00886	3.9
99.04526	1.9
101.02456	4.6
103.04034	9.7
109.02948	3.8
111.00887	34.5
113.02451	41.5
115.00382	16.2
115.04016	1.8
123.00872	2.6
125.02445	3.9
127.04018	9.1
129.01956	3.9
139.00381	29.5
149.02455	1.3
155.03535	4.8
157.01410	28.2
158.01817	2.2
163.06119	2.5
167.03496	1.7
173.04567	5.1
175.02481	51.6
176.02745	3.8
199.02490	6.1
217.03520	32.8
241.07364	2.1
246.60652	1.5
259.04636	4.7
277.05450	1.5
285.06244	4.8
303.07190	23.7
321.08405	7.5
325.29807	1.5
343.07004	16.0
345.08270	16.8
346.08459	1.9
363.09122	6.8
452.47568	1.5
469.52884	1.4
521.11566	28.7
522.11816	2.7
539.12482	3.4
581.13605	16.8
582.14044	2.7
667.17236	16.6
668.17456	3.3
685.18256	32.0
686.17999	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	683.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70152	0.6
52.29953	0.6
53.44901	0.5
57.03445	0.8
59.01371	2.2
61.98835	23.5
68.87396	0.5
71.01399	2.0
73.02962	1.9
73.27328	0.6
81.03451	2.8
85.02958	0.8
88.98817	1.1
89.02467	1.3
96.96016	1.1
97.02954	0.6
101.02459	1.4
105.95338	0.6
107.05029	8.3
109.02962	0.7
109.06632	1.0
113.02449	0.6
119.05014	0.7
119.08678	0.7
121.06603	0.9
123.04594	1.1
124.01659	0.8
125.02491	1.7
133.06613	2.4
137.02481	0.7
145.06572	0.7
147.08142	0.7
149.99501	0.6
151.03992	1.1
152.01212	0.7
161.04620	0.8
165.01927	1.0
171.08221	3.4
173.13387	0.7
183.11761	1.6
185.09775	3.2
186.10492	0.7
187.07668	2.7
188.29988	0.6
191.72479	0.6
199.11243	2.0
201.12856	25.9
202.13145	1.4
207.79910	0.6
211.07539	1.1
212.08394	1.0
225.09261	0.8
227.10791	26.9
228.11179	1.7
240.81528	0.6
245.11836	100.0
246.12184	8.0
321.20828	2.0
415.67978	0.6
483.26266	1.0
547.17682	0.8
559.71820	0.8
623.33929	1.0
683.28534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	28.3
61.98834	100.0
64.90853	7.1
68.29215	7.1
71.39655	6.2
71.63603	9.5
72.74526	6.7
78.81756	5.8
152.99612	7.5
183.35948	7.3
247.17073	8.3
253.21719	9.6
255.23294	36.3
273.41171	7.7
277.21753	40.6
278.21860	8.8
279.23486	11.3
363.22174	6.4
495.89523	7.6
514.73706	8.1
541.78650	7.1
683.40259	32.3
684.40198	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	683.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	55.3
61.98840	100.0
63.77417	15.6
70.85988	46.9
86.24555	14.7
128.78365	16.4
158.59096	14.0
198.21007	14.9
209.11832	14.9
253.21744	25.5
255.23288	51.2
271.04166	14.2
277.21686	54.5
279.23245	40.7
309.82632	15.6
407.39215	19.6
447.24786	19.0
519.88586	15.1
683.39502	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	683.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90773	1.4
57.03448	2.6
58.24502	1.2
59.01089	2.7
59.01379	48.2
61.98832	19.7
65.36253	1.4
67.12070	1.5
69.03486	2.2
69.38936	11.1
71.01389	11.3
73.02947	4.1
79.37924	1.2
83.05019	1.5
85.02944	6.0
87.00880	4.8
89.02438	6.6
90.85424	1.5
95.01394	2.4
101.02438	8.1
106.69536	1.4
109.06613	1.9
111.08133	2.3
113.02457	5.6
113.96488	1.5
125.02460	3.9
134.08278	1.4
137.09633	1.6
145.03500	1.3
145.05049	2.4
151.68762	1.5
161.04515	3.0
171.10271	37.4
171.11662	2.9
213.15170	1.8
231.17607	2.1
235.08238	6.4
253.09238	5.1
255.23376	1.8
267.19397	1.6
275.16492	2.0
275.20248	2.0
277.21832	3.3
293.21249	17.3
315.26804	2.4
325.25348	4.5
341.24890	1.6
343.26443	3.7
359.25885	6.6
369.24283	9.8
382.33099	1.6
387.25421	32.4
388.25766	3.8
405.26456	21.8
406.26990	1.8
479.30637	1.5
564.13739	1.5
595.34857	3.3
617.29016	1.6
623.34357	100.0
624.34613	16.9
653.19617	1.4
665.36487	1.7
683.41602	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	683.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
59.01381	47.2
60.80199	1.1
61.98838	12.8
69.03467	1.8
69.57147	3.4
69.57561	4.4
71.01389	14.0
71.05013	1.4
72.99335	1.3
73.02952	4.3
78.95947	1.5
80.96526	1.5
81.03455	1.4
83.01390	1.4
83.05029	2.0
85.02953	4.5
87.00893	4.6
89.02437	6.7
95.05046	1.5
97.02954	1.7
97.06599	1.5
99.04543	1.3
101.02444	9.0
109.06609	2.8
111.08175	2.7
113.02423	6.0
123.04570	2.1
125.02445	4.3
125.06149	1.3
125.09750	1.7
135.08168	2.7
137.02422	1.1
137.09709	1.5
145.05069	2.1
151.04019	2.4
161.04593	2.6
163.04004	1.7
171.10268	17.0
179.93224	1.2
231.17712	1.6
235.08209	11.0
239.16452	2.1
253.09320	2.3
255.23343	4.3
265.18057	2.0
267.19623	1.5
271.20660	1.3
275.16574	2.4
277.17874	1.4
277.21729	7.4
279.23239	5.0
293.21243	10.3
315.27051	1.9
325.25397	4.5
341.24799	3.3
343.26392	6.5
351.23105	2.7
356.39313	1.2
359.25876	5.8
361.27530	2.2
369.24423	9.9
387.25430	37.7
388.25571	3.9
405.26447	21.1
406.27023	2.7
447.25204	1.7
479.29944	1.3
534.63440	1.2
585.39398	1.2
595.35126	1.8
605.33502	1.4
623.34338	100.0
624.34705	20.2
683.40887	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	683.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71268	0.5
59.01384	0.9
61.98841	8.4
87.35179	0.6
100.64227	0.6
112.62904	0.5
113.67918	0.6
119.05084	0.8
121.03008	0.8
123.00912	1.8
124.01683	1.7
125.02522	0.6
138.03264	2.8
139.04007	1.5
142.27443	0.6
145.02971	4.1
153.05586	0.7
163.04024	0.7
173.02408	2.1
174.03244	11.0
175.04042	6.7
177.01828	0.6
187.04013	1.5
188.03665	0.8
188.04828	3.9
189.05576	27.1
190.05943	1.7
193.76250	0.6
199.79300	0.6
201.04298	0.8
202.02783	0.6
203.07101	0.7
208.42496	0.6
214.04962	0.7
220.03783	0.6
229.03786	2.5
230.04602	26.5
231.05145	2.4
233.08516	6.0
234.08998	0.7
235.07967	0.9
241.05099	0.7
244.06165	4.6
269.04468	0.7
281.04608	1.1
283.06073	0.9
295.05923	1.0
297.04065	2.6
298.04758	0.7
308.05994	1.0
308.09335	9.5
309.09689	1.1
311.05716	2.9
312.06396	2.9
313.07202	0.6
320.09091	1.1
326.08002	4.9
327.08694	8.4
328.09256	1.2
336.05411	0.7
336.08795	15.9
337.09555	24.5
338.09988	2.7
341.10330	9.0
342.10953	2.8
343.11597	0.8
350.10513	1.5
351.11185	11.0
352.11877	34.4
353.12289	4.2
359.27930	1.0
363.07294	0.7
365.12708	1.0
366.13309	2.8
377.09085	0.8
384.10977	0.6
443.09937	0.8
459.09549	1.2
460.09961	1.1
474.11786	1.0
475.12720	1.0
489.14337	5.2
490.15118	3.9
504.16754	12.0
505.17151	4.4
515.18201	1.2
520.19800	34.6
521.20190	6.2
529.20184	1.1
547.54144	0.7
668.24518	0.8
683.26117	100.0
684.26416	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	683.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26213	0.8
59.01363	1.7
60.99310	18.8
61.44667	0.7
61.98832	4.1
71.01392	1.7
71.63821	1.2
72.15901	0.6
88.98808	100.0
89.02431	1.4
89.99100	0.9
107.01396	0.8
125.02474	1.0
151.00436	0.9
151.03990	0.8
153.01921	0.7
163.00377	1.1
165.01930	0.8
187.03995	1.5
205.04874	0.7
227.03482	8.3
229.05008	3.3
245.08142	0.7
251.16777	0.8
255.02972	15.0
255.05266	0.5
256.03549	2.8
257.04529	2.0
284.03253	24.2
285.04028	32.6
286.04422	2.9
533.20502	1.0
593.15088	57.3
594.15479	9.6
692.86664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.1
59.01376	1.2
69.03461	0.9
70.60619	1.1
70.60992	1.1
71.01391	1.1
73.02937	1.4
78.17603	0.4
81.03486	2.8
83.01385	3.9
83.05060	0.7
83.13073	0.5
84.15863	0.5
85.02942	0.5
89.02464	0.7
93.03459	2.2
95.01386	1.2
95.05029	4.5
97.02950	7.3
97.06603	0.7
99.04538	0.6
101.02445	0.7
108.02157	0.6
109.02956	27.7
110.03291	0.5
111.00883	1.4
119.05003	0.7
121.02941	3.2
121.06622	1.7
122.03735	1.8
123.04531	17.3
123.08117	1.0
125.02451	16.7
126.02737	0.6
131.05072	0.6
133.03027	0.5
135.04532	2.2
137.02451	10.4
139.04007	3.2
145.02917	1.5
146.03723	1.0
147.04533	0.7
149.02461	4.0
150.03227	2.0
151.04028	9.3
159.04536	2.8
160.05321	1.3
161.02402	1.2
161.06079	5.8
162.03241	2.1
163.03989	0.7
164.01212	2.9
165.01953	3.5
165.09129	0.7
166.02641	0.6
167.03473	1.6
173.06143	1.1
174.03288	0.7
175.04082	2.3
175.07654	1.1
175.11174	0.5
177.05559	0.6
179.03508	6.4
185.06111	1.2
187.04008	4.6
188.04750	3.9
190.02707	0.5
201.05632	0.7
201.12846	1.4
202.06303	2.3
203.07150	12.6
204.07384	1.1
205.05060	7.3
212.04845	0.6
221.08176	3.2
227.07135	1.9
230.05849	0.6
231.03014	0.6
235.34364	0.5
245.08186	17.6
246.08540	1.4
247.06099	1.1
271.06232	0.9
281.13931	17.2
282.14536	1.1
289.07187	100.0
290.07532	8.8
291.08014	0.7
292.08191	0.6
295.11743	0.8
297.13336	1.8
344.41159	0.5
411.51614	0.5
487.03171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36866	0.2
58.38822	0.2
59.01382	1.0
61.98836	100.0
70.21686	0.5
70.22073	0.5
71.97852	0.2
75.17103	0.2
76.78163	0.2
78.95914	0.7
87.92009	0.3
89.02447	0.4
93.27956	0.3
96.29678	0.2
100.02351	0.2
113.02460	0.2
126.20423	0.2
137.39294	0.3
259.06152	0.7
260.06766	0.3
277.21768	0.8
278.22189	0.4
439.49939	0.3
651.05310	0.3
683.41370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
55.49659	0.4
57.03450	1.3
58.00597	2.3
59.01385	39.3
61.98835	56.9
62.98535	0.6
68.99818	0.6
69.03458	2.7
71.01388	39.2
72.01724	0.6
72.99315	3.2
73.02957	6.2
75.00889	1.1
79.00179	0.3
81.03461	1.6
83.01388	5.0
83.05060	0.6
85.02956	9.2
85.97789	0.4
86.00107	0.5
87.00883	8.9
89.02454	32.5
90.02786	0.7
91.04048	0.6
95.01389	2.1
97.02962	6.4
99.00893	2.6
99.04544	0.5
101.02451	30.4
102.02804	0.8
103.00385	0.4
107.54816	0.4
109.02940	1.0
111.00868	0.7
111.04533	1.3
112.01673	0.4
113.02460	15.8
115.04008	1.1
115.92053	0.4
119.03513	10.1
121.02970	0.8
124.01718	0.5
125.02457	14.0
127.04068	0.6
131.03500	1.6
133.05165	0.9
139.04001	0.8
141.01961	1.0
143.03511	5.6
148.27182	0.4
149.02519	0.4
149.04567	1.0
161.04570	7.8
167.03534	1.1
169.05083	0.4
170.56558	0.4
179.05644	7.1
179.07152	0.8
185.04543	0.8
199.06186	0.6
203.05548	0.6
217.07162	1.3
221.06631	2.6
235.08234	14.6
235.10640	0.7
236.08505	0.7
245.06667	0.8
251.12498	0.4
253.09326	3.3
263.07733	1.7
268.59048	0.4
277.09338	1.1
277.21701	1.4
279.23294	6.1
280.23828	0.5
280.91928	0.3
283.26434	100.0
284.26761	10.1
287.07645	3.2
305.08887	3.5
323.09760	2.0
341.12238	0.5
361.11392	0.5
379.12466	0.9
397.13516	94.9
398.08902	0.6
398.13861	8.8
415.14572	33.1
416.14911	2.1
445.23480	0.9
608.08826	0.4
640.57489	0.4
681.41010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98832	100.0
69.39237	0.6
69.39651	1.4
88.98839	0.3
98.19891	0.3
117.03468	0.5
119.05060	0.9
125.02443	0.2
145.02959	1.8
150.03180	0.2
151.00407	0.6
161.02448	0.2
163.00447	0.2
163.04030	0.4
183.04552	0.3
187.03935	0.3
211.03963	0.5
227.03500	4.6
227.05678	0.3
228.03883	0.5
229.05078	0.7
249.15065	0.5
255.02983	10.6
256.03482	1.2
257.04584	0.5
283.02509	1.5
284.03262	13.9
285.03967	5.0
308.66599	0.2
356.20789	0.2
384.71771	0.2
413.08762	0.2
433.87119	0.2
434.61966	0.2
473.10428	0.4
538.09778	0.2
559.12738	0.6
619.14557	17.7
620.14911	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	681.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01380	1.3
61.40508	0.2
61.98837	12.2
71.01375	1.0
71.63381	0.2
73.02923	0.2
79.95760	0.8
81.92855	0.2
83.01406	0.2
83.05065	0.2
85.02957	0.4
88.98832	0.5
89.02456	0.5
90.84982	0.2
91.31716	0.2
93.03463	0.3
95.95277	0.3
96.96017	16.6
101.02428	0.5
109.02988	0.4
113.02426	0.4
119.03529	0.3
119.05047	0.5
121.02969	0.3
122.03774	0.2
123.04525	0.7
125.02484	1.2
135.74336	0.2
137.02461	0.7
151.04010	0.7
151.07536	0.2
161.02464	0.6
161.09555	0.2
163.04021	0.6
165.01932	0.5
168.00594	0.2
175.03951	0.3
179.03584	0.3
180.42487	0.2
197.81259	0.2
205.04962	0.2
233.08530	100.0
234.08862	5.6
285.04138	0.4
289.07257	0.7
357.26376	0.4
431.10303	0.2
441.17435	0.2
459.42664	0.2
483.34155	0.2
519.31665	0.6
602.75269	0.2
618.29346	0.3
627.37238	0.3
645.29358	0.2
645.38953	1.4
646.39166	0.2
681.36060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	55.9
60.15726	12.7
61.98822	100.0
65.68214	14.7
69.31214	35.0
69.31629	95.7
74.58990	13.5
75.61674	12.6
78.95872	23.6
80.96525	20.3
84.18086	11.8
86.13435	12.7
89.71200	12.2
116.92854	21.0
131.55861	12.4
169.85687	12.5
185.11823	86.1
193.90677	16.0
224.72878	15.2
238.93170	14.8
277.21698	100.0
279.23343	38.8
383.21265	12.8
445.23471	41.9
468.10620	15.9
681.38977	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	680.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03325	0.2
59.01376	0.7
61.98830	100.0
69.47549	2.0
71.01403	0.4
83.05017	0.3
89.02446	0.2
97.91748	0.2
123.53777	0.3
127.04016	0.5
269.82968	0.3
294.85144	0.2
313.17972	0.4
410.27490	0.3
517.34106	0.2
530.79626	0.3
601.40039	0.3
645.38702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14300	0.3
55.01875	1.6
57.03454	0.9
58.00597	2.2
59.01382	39.0
60.01740	0.3
61.98824	1.1
68.99832	0.4
69.03461	2.0
71.01383	35.6
72.01726	0.5
72.99310	2.1
73.02953	6.0
75.00867	0.8
81.03465	2.2
83.01380	3.8
85.02957	7.9
86.00060	0.4
87.00877	8.2
87.04529	0.4
89.02448	32.5
90.02795	0.7
90.82042	0.3
91.04005	0.6
95.01371	2.3
97.02961	5.8
98.20599	1.0
98.54439	0.3
99.00880	1.8
99.04533	0.5
101.02447	29.0
102.02802	0.3
103.00380	0.3
109.02975	0.7
111.00900	0.5
111.04512	0.9
113.02455	13.6
114.02782	0.4
115.04028	0.6
119.03503	9.2
121.02975	0.6
123.00871	0.3
123.04517	0.4
124.01753	0.3
125.02449	12.4
127.04048	0.5
129.02014	0.3
131.03526	1.4
133.05061	1.0
137.02440	0.5
139.04004	1.2
141.01921	0.9
143.03519	6.0
149.04585	1.1
161.04552	6.3
162.04935	0.3
167.03485	0.8
169.05136	0.6
171.03014	0.5
179.03351	0.3
179.05614	5.9
179.07143	0.4
185.04596	0.6
199.06093	0.6
203.05630	0.5
217.07138	1.0
219.05121	0.5
221.06694	2.0
235.08217	14.3
236.08565	0.5
245.06590	0.7
253.09315	2.9
263.07672	1.5
277.09241	1.0
281.24854	100.0
282.25217	8.9
287.07709	2.7
295.26416	0.6
305.08792	3.9
323.09723	1.4
346.05338	0.4
361.11246	0.5
379.12384	0.8
397.13492	80.4
398.13873	6.2
415.14560	31.8
416.14975	2.7
575.23907	0.3
679.38959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.25499	0.4
55.94152	0.4
57.03443	1.1
58.00594	1.2
59.01384	41.4
61.98823	1.3
62.59435	0.4
68.99816	0.7
69.03455	2.3
71.01388	34.3
72.99316	2.5
73.02956	6.0
75.00850	1.0
79.95721	0.4
81.03474	1.3
83.01389	4.3
85.02960	8.0
86.00104	0.4
87.00887	7.2
89.02448	31.9
90.02767	0.5
91.03981	0.6
93.03488	0.4
95.01395	2.0
97.02952	5.9
98.20624	0.9
99.00885	2.1
99.04511	0.5
99.55849	0.4
100.38663	0.4
101.02450	27.3
109.02912	0.7
111.00875	0.4
111.04520	1.0
113.02454	13.7
115.04019	1.1
118.46037	0.4
119.02652	0.6
119.03506	9.6
121.02957	0.8
123.00877	0.4
125.02451	13.0
127.04021	0.8
131.03496	1.1
133.05109	0.7
135.05359	0.3
137.02399	0.4
139.04021	1.1
141.01965	0.7
143.03505	5.2
149.04576	1.1
151.53226	0.4
161.04567	6.2
166.23587	0.4
167.03555	0.4
169.05077	0.5
179.05637	5.7
199.06088	0.6
217.07106	0.9
221.06613	1.9
235.08221	13.6
236.08612	0.6
245.06552	0.9
253.09320	2.9
263.07770	1.4
277.09149	1.0
281.24857	100.0
282.25186	9.2
287.07806	3.6
295.26443	0.9
305.08768	3.8
323.09830	1.5
361.11423	0.7
379.12396	1.2
397.13495	77.4
398.13803	6.6
415.14566	34.4
415.20392	0.6
416.15106	2.6
416.19949	0.6
497.17563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.3
59.01384	22.6
61.18853	1.2
61.98838	12.6
62.17765	1.2
71.01385	19.3
71.49283	1.2
71.63123	2.5
72.99304	2.3
73.02948	3.5
81.47600	1.4
85.02940	4.7
87.00858	1.7
89.02467	7.9
89.02906	1.3
95.01399	1.2
99.00935	1.8
101.02449	5.9
113.02438	9.7
119.03474	2.6
119.84986	1.4
125.02421	2.0
149.02472	9.8
164.04800	13.7
164.98503	1.5
179.05675	2.7
179.07149	25.6
231.18221	1.4
273.22134	2.1
277.21729	100.0
278.22015	11.0
291.23331	18.2
292.23767	1.8
295.22675	2.0
301.21750	2.5
319.22781	5.2
341.12405	16.0
341.64813	1.6
359.13385	4.3
536.24640	1.4
673.19098	1.5
674.13702	1.5
679.38977	3.8
680.39270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.4
59.01380	46.9
59.86743	1.1
60.90902	0.9
61.98833	11.0
71.01380	33.1
72.99290	2.2
73.02948	1.7
79.23467	0.9
83.01363	2.2
85.02953	7.0
87.00881	2.0
89.02445	45.0
91.65241	0.9
95.01374	2.6
99.62547	0.9
101.02441	19.6
109.02907	1.2
113.02448	15.6
116.92890	1.4
119.03506	17.2
121.02910	1.2
125.02426	2.4
131.03529	2.3
133.50015	0.9
143.03526	2.8
146.03709	4.2
149.02344	1.3
149.04541	1.7
161.02631	1.2
161.04510	3.8
161.05978	2.0
164.04843	5.6
179.05562	7.9
179.07123	17.4
180.07468	1.8
202.96797	0.9
229.90811	1.1
267.07849	0.9
267.49323	1.0
277.21719	100.0
278.22089	10.6
289.07193	1.8
291.23248	2.9
319.22620	1.1
341.12460	8.5
342.12985	1.1
359.07721	4.0
359.13571	2.9
457.29498	1.8
676.36029	1.2
679.43781	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	679.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57094	0.9
59.01389	10.1
61.98837	33.7
71.01386	6.1
71.63303	1.6
72.99312	1.1
73.02960	3.6
83.01392	3.9
83.05051	1.0
85.02959	3.6
88.98837	2.1
89.02443	5.9
91.94582	1.1
93.03461	2.4
95.01402	1.3
97.02963	3.8
101.02439	5.5
108.02161	1.7
109.02966	7.1
113.02422	2.4
116.92907	2.7
119.03502	2.0
119.05025	1.0
121.02972	3.9
122.03755	5.1
123.04539	4.4
124.01677	2.4
125.02452	4.3
127.03996	2.2
132.02148	1.3
134.03755	1.5
135.04558	1.9
137.02454	18.6
139.04022	2.8
145.02942	1.6
148.05338	2.1
149.02467	3.6
150.03159	1.4
151.04027	3.1
153.01878	1.0
154.02727	1.1
160.01668	2.8
161.02461	3.1
161.06136	2.9
163.04051	1.8
164.01176	5.0
165.01945	28.0
165.05579	1.7
166.02469	1.3
173.37846	0.8
175.03998	3.7
177.05580	0.9
179.03519	3.1
187.04012	1.5
190.02725	1.3
203.07248	5.3
205.05060	9.7
235.76129	1.0
241.14429	2.1
247.06059	1.3
255.16054	3.6
281.15210	1.1
285.03799	1.1
288.06393	2.0
289.07214	2.6
291.76877	0.9
337.09314	3.3
342.13550	2.9
419.22311	4.0
479.21698	2.8
481.21844	1.2
491.23169	2.0
520.50092	1.0
535.23914	1.1
643.27661	100.0
644.27924	21.2
679.24200	1.3
679.36835	2.6
680.23627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.8
59.63623	0.9
69.30746	1.2
69.30965	6.0
69.31381	3.6
72.84856	0.9
75.75591	0.9
81.03460	2.2
83.01385	3.5
86.36362	1.1
89.42406	1.2
95.05029	4.0
97.02950	6.1
106.10834	1.0
109.02953	26.3
109.27572	0.9
121.02958	3.1
123.04527	18.2
125.02440	15.7
135.04526	2.5
137.02458	10.6
139.03969	4.4
143.05081	1.2
145.02989	1.0
149.02444	4.6
150.03210	1.7
151.04019	8.7
159.04478	2.7
161.06088	4.2
162.03235	1.4
163.03998	1.7
164.01201	2.5
165.01897	4.7
167.03406	1.3
175.03975	1.7
175.07588	2.0
179.03485	7.0
180.74294	1.0
185.06128	1.4
187.04018	5.1
188.04788	3.7
199.07649	1.1
202.06276	2.2
203.07132	14.2
204.07431	1.4
205.05066	7.6
221.08177	3.0
227.07085	1.8
245.08156	16.7
246.08556	1.4
289.07181	100.0
290.07462	9.0
390.46234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
58.02976	0.3
59.01374	0.7
61.98554	0.2
61.98830	2.3
68.06481	0.2
70.16544	0.6
71.01375	0.7
72.04564	0.2
72.99310	0.2
80.05045	0.2
81.03457	7.5
82.02968	0.4
83.01375	0.3
83.05026	19.0
84.05329	0.4
85.02950	0.2
88.98762	0.2
89.02468	0.4
97.02934	0.2
100.07682	0.3
101.02438	0.5
107.06159	0.4
108.02191	0.3
108.04548	0.7
109.02945	0.5
110.75037	0.2
111.00806	0.2
113.02441	0.5
121.03005	0.2
122.03737	0.2
123.04581	0.4
125.02448	1.1
125.07195	1.5
126.05625	0.3
127.04056	0.2
137.02435	1.5
138.02032	0.2
138.03214	0.8
143.08238	0.6
149.02499	0.3
149.06061	0.2
151.03983	0.4
153.01970	0.2
157.13510	0.2
161.04478	0.2
165.01901	1.6
166.02634	0.3
175.04068	0.4
179.03433	0.3
180.04218	0.2
195.02907	0.7
195.06636	0.3
203.07076	0.4
207.14996	1.5
209.23251	0.2
210.05354	1.3
224.17657	2.8
225.07675	2.4
225.16072	13.5
226.16360	0.7
233.09283	0.3
242.18665	0.7
250.15625	0.2
268.16653	0.2
289.07086	1.1
290.22284	0.3
291.20795	0.2
304.05875	0.5
309.21912	0.8
324.26584	0.5
333.22919	1.0
338.07877	0.2
339.27579	0.2
341.29358	0.9
350.24298	0.2
351.24091	0.3
353.10461	0.2
367.27097	1.0
385.28339	0.2
405.75076	0.2
433.31796	1.5
434.32175	0.2
450.34656	1.3
451.32916	6.7
452.32986	0.7
550.43420	0.9
559.39551	0.5
565.44366	0.2
593.35535	0.2
593.43628	0.8
606.67804	0.2
659.37640	0.3
659.48279	1.5
660.48730	0.2
677.49664	100.0
678.49957	20.8
685.38293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73733	0.1
57.03439	0.2
59.01377	0.7
61.98823	1.9
69.17451	0.2
69.99782	0.6
70.00195	0.3
71.01384	0.7
71.08137	0.2
72.99298	0.3
73.02921	0.2
80.05055	0.3
80.81504	0.2
81.03464	7.4
82.03003	0.3
82.03792	0.2
83.01400	0.3
83.05030	18.9
84.05358	0.4
85.02946	0.2
88.98812	0.3
89.02444	0.3
93.03471	0.2
95.01366	0.2
99.04528	0.1
100.07652	0.2
101.02436	0.7
105.99595	0.1
107.06155	0.6
108.04553	0.7
109.02946	0.5
111.04533	0.2
113.02435	0.3
120.99799	0.1
121.02963	0.3
123.00908	0.3
123.04544	0.3
125.02439	1.1
125.07213	1.4
126.05624	0.4
137.02472	1.2
138.03242	0.9
138.05536	0.1
139.04022	0.3
143.08232	0.8
149.02455	0.2
150.03258	0.2
151.00432	0.2
151.04024	0.4
157.13542	0.2
161.02420	0.2
161.04684	0.2
161.06055	0.2
164.01193	0.2
165.01935	1.9
166.02736	0.2
167.03473	0.2
170.02135	0.3
173.04602	0.2
177.01923	0.3
177.05452	0.2
179.03580	0.3
180.04372	0.3
191.07201	0.2
195.03006	1.1
195.06575	0.2
205.05000	0.3
207.15039	1.4
208.13390	0.2
210.05365	1.1
214.34122	0.1
222.16095	0.2
224.17708	2.9
225.07704	2.3
225.16086	12.9
226.08003	0.2
226.16417	0.9
233.09270	0.3
241.04967	0.2
242.18732	0.8
245.08150	0.1
250.15701	0.3
266.18845	0.2
268.16525	0.2
289.07230	0.9
290.07922	0.1
290.22293	0.5
301.07190	0.2
304.05835	0.5
309.07507	0.2
309.21841	0.8
324.26627	0.7
333.23129	0.8
339.27588	0.2
341.10208	0.2
341.29166	1.3
351.23917	0.3
353.10233	0.4
367.27228	0.8
371.11261	0.2
396.09061	0.2
407.34012	0.4
409.13846	0.2
433.31848	1.3
434.32434	0.2
450.34555	1.9
451.32935	6.3
452.33121	0.8
468.35779	0.2
550.43433	0.9
559.39362	0.4
565.44183	0.3
593.44006	0.6
632.47821	0.2
659.48627	1.3
660.48743	0.4
677.49701	100.0
678.50012	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	679.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31288	0.6
57.03443	3.6
59.01383	5.4
60.64918	0.6
61.98819	3.0
69.03461	3.9
71.01379	3.2
71.63239	0.9
73.02957	0.9
78.95910	2.3
79.64422	0.6
81.03449	1.7
83.01390	5.2
85.02940	1.9
89.02433	1.1
93.03470	0.9
95.01366	2.1
96.95995	4.1
96.96969	2.2
97.02931	3.4
99.00877	0.9
101.02441	2.6
103.39754	0.7
107.01365	1.9
108.02167	2.0
109.02947	2.4
113.02473	1.3
121.02950	1.3
123.00882	11.2
123.04497	1.4
124.01662	21.5
125.02451	68.3
126.02789	2.1
133.02933	0.9
137.02463	6.1
149.02455	1.1
149.99585	33.5
151.00288	2.8
151.04015	1.2
161.02406	1.2
162.05537	0.7
163.03999	1.3
165.01794	0.9
167.03487	2.1
168.00641	66.7
169.01405	7.9
179.03320	1.1
191.03461	1.0
193.01382	0.9
221.10324	1.6
235.02167	0.6
249.49997	0.7
266.43344	0.7
267.10553	0.8
287.07703	1.3
289.07193	1.8
313.05621	6.8
331.06705	7.7
355.07001	0.7
373.07990	0.8
679.20862	100.0
680.21124	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37722	0.2
55.01892	1.4
55.02102	0.2
57.03453	1.4
58.00596	2.2
59.01381	44.4
60.01718	0.7
61.98841	1.0
65.14004	0.3
67.01881	0.4
68.99830	0.6
69.03448	1.9
69.21595	0.3
71.01383	38.2
72.01720	0.7
72.99307	2.9
73.02949	5.9
74.03338	0.3
75.00874	0.8
81.03468	1.9
83.01388	3.9
83.05023	0.5
85.02953	7.6
85.57835	0.3
86.00116	0.4
87.00874	9.8
87.04533	0.3
89.02444	33.6
90.02802	0.6
91.04039	0.7
93.03461	0.6
95.01395	2.0
97.02955	6.1
99.00879	2.0
99.04517	0.4
101.02443	30.4
102.02790	0.6
103.00346	0.5
103.04015	0.3
105.46057	0.3
107.03499	0.3
107.31419	0.3
109.02943	0.7
111.00877	0.4
111.04528	1.0
113.02449	15.1
114.02779	0.4
115.04022	0.8
119.03505	9.6
120.03940	0.3
121.02950	0.6
123.00926	0.4
124.01679	0.4
125.02448	11.1
126.02778	0.3
127.04037	0.7
129.01910	0.3
131.03516	1.8
133.05084	1.0
137.02434	0.4
139.04047	0.7
141.01950	0.5
143.03500	5.8
149.02443	0.3
149.04561	1.0
161.03220	0.4
161.04561	6.9
167.03468	0.7
169.05058	0.3
179.05614	6.2
185.04611	0.7
199.06155	0.6
203.05647	0.3
217.07185	1.2
219.05167	0.5
221.06689	2.3
235.08226	13.4
236.08549	0.7
245.06613	0.8
246.07178	0.3
253.09258	3.4
261.22223	0.5
263.07681	1.0
266.14316	0.3
270.68280	0.3
277.09274	1.1
279.23273	100.0
280.23624	9.7
280.46451	0.3
287.07687	2.9
293.24918	0.6
305.08768	3.4
305.12054	0.5
323.09885	2.1
334.80927	0.3
361.11316	0.8
379.12430	1.0
397.13489	78.9
398.13831	6.3
415.14551	31.2
415.20319	0.5
416.14948	2.9
677.37146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.9
59.17069	2.8
60.71127	2.7
65.03962	3.1
66.25396	2.7
69.03441	4.3
69.69019	8.1
69.69445	10.1
83.01398	14.3
93.03474	11.4
97.02944	5.2
103.24339	3.1
105.03471	3.1
107.01405	3.0
109.02951	39.2
121.02951	40.7
123.04517	3.8
124.01656	12.3
125.02448	67.7
133.02905	5.9
135.04515	16.5
136.01634	3.8
137.02446	95.4
138.03131	4.6
140.68102	2.9
143.47209	3.1
145.06604	2.9
147.04515	10.4
148.05293	4.2
149.02414	30.1
149.06090	6.4
150.03247	16.5
151.00386	5.1
151.03989	5.2
158.03700	4.8
159.04474	23.4
161.02438	16.3
162.03232	3.5
163.00369	5.2
163.03970	4.3
164.01155	9.7
165.01949	51.2
172.05316	7.6
173.06081	24.7
174.03142	6.6
175.03993	49.1
177.01924	13.6
177.05609	14.9
183.04500	6.7
187.07574	5.2
189.05573	10.0
191.07156	6.4
197.05989	3.4
199.03983	4.6
200.04695	3.9
201.05559	47.3
202.05830	3.0
203.03534	17.5
213.05432	3.6
215.07031	17.0
217.05080	14.3
219.06485	13.9
225.05510	8.8
227.03485	2.8
241.04997	7.1
243.02924	6.7
243.06628	24.5
243.89273	3.1
245.04459	5.6
245.08221	3.5
258.05347	9.1
259.06104	83.9
260.06354	3.9
269.04535	7.8
287.05612	100.0
288.05872	6.5
289.07187	11.4
359.12616	3.3
428.93500	3.0
479.13239	3.5
677.20728	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29977	0.2
55.01878	1.4
57.03456	1.3
58.00601	2.0
59.01381	38.3
60.01706	0.6
61.98826	0.9
64.06465	0.2
67.01859	0.2
68.99817	0.6
69.03465	2.4
69.34544	1.8
71.01383	35.0
72.01725	0.7
72.99312	2.6
73.02952	6.1
75.00866	1.0
81.03458	1.8
83.01395	4.1
83.05006	0.3
84.02151	0.2
85.02953	7.3
86.00102	0.4
87.00877	8.7
87.04505	0.4
89.02445	30.6
90.02793	0.5
91.03997	1.0
93.03455	0.3
95.01392	2.5
95.05045	0.3
97.02952	5.9
98.20573	0.5
99.00875	2.1
99.04535	0.5
101.02446	29.1
102.02801	0.4
103.00381	0.3
103.04028	0.4
109.02957	0.9
110.79610	0.3
111.00859	0.5
111.04523	1.1
113.02451	14.1
114.02792	0.4
115.03996	0.9
119.03503	9.6
120.03902	0.3
121.02919	0.8
123.00945	0.2
123.04532	0.5
124.01674	0.4
125.02444	12.9
127.03992	0.6
129.01984	0.4
131.03493	1.5
133.05077	0.8
139.03999	0.8
141.01910	0.5
143.03506	6.3
149.04523	1.1
157.10414	0.3
161.04549	7.1
167.03464	0.8
169.05060	0.4
171.02957	0.4
179.05620	6.1
180.05849	0.3
181.05118	0.4
185.04526	0.7
188.06171	0.2
199.06195	0.5
203.05611	0.5
217.07127	1.2
219.05090	0.4
221.06630	2.6
222.17027	0.2
235.08226	13.8
236.08507	0.6
245.06674	0.8
253.09294	3.4
261.22192	0.4
263.07736	1.5
273.79584	0.2
277.09311	1.0
279.23279	100.0
280.23611	10.1
287.07776	3.5
293.24979	0.3
305.08817	4.0
323.09799	1.8
361.11380	0.8
379.12347	1.0
397.13489	75.0
398.13812	6.5
415.14563	32.0
416.14941	2.2
603.26617	0.2
677.37073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00373	1.1
57.03440	2.4
59.01381	7.9
61.98826	3.2
64.63654	1.2
67.01882	1.4
69.03433	2.2
69.69072	2.3
69.69478	4.9
70.22862	1.2
71.01380	4.6
81.03476	1.9
83.01373	7.6
84.68935	1.4
85.02949	1.8
89.02425	1.9
91.52945	1.1
93.03471	3.1
95.01393	2.6
95.05022	7.6
97.02949	12.8
98.19939	1.8
101.02453	3.3
102.32397	1.1
108.02158	1.9
109.02962	32.9
111.00921	1.8
112.18172	1.3
113.02380	1.4
113.06080	4.5
119.05049	1.3
121.02942	6.7
122.03711	3.7
123.00851	4.9
123.04536	21.8
124.01664	2.7
125.02452	19.4
133.02936	3.2
135.04521	3.1
137.02455	21.1
138.03305	8.7
139.04001	10.3
145.02989	1.4
146.03667	2.2
147.04462	1.7
148.01677	1.5
149.02452	12.4
150.03174	2.0
151.04012	13.5
153.05560	2.3
159.04506	5.8
160.05167	1.8
161.02446	21.1
161.06068	7.4
162.03104	4.0
163.00331	3.5
163.04041	6.5
164.01175	6.1
165.01974	11.2
165.05608	1.6
166.02740	1.6
167.03464	2.9
173.06029	1.5
175.04028	6.4
175.07596	2.3
176.04565	2.0
177.01947	9.5
177.05579	4.2
178.02625	1.6
179.03517	6.8
181.05070	24.4
187.03978	5.4
188.04698	4.1
189.05444	1.6
191.03551	2.2
193.05086	1.6
201.05551	3.1
202.06142	1.5
203.03499	2.4
203.07129	18.5
205.05067	16.4
207.06601	2.0
217.05070	2.1
219.06677	2.0
220.03697	5.7
221.04539	3.4
221.08195	3.9
224.44835	1.4
227.07076	2.1
229.04945	2.9
229.08792	1.8
231.02936	2.1
241.05138	2.2
245.04390	1.6
245.08167	17.7
247.06218	9.3
270.05054	1.5
271.06076	1.9
281.08054	1.5
285.03934	4.3
287.05579	1.8
289.07172	100.0
290.07687	7.7
299.05753	1.7
299.09207	4.5
300.06436	3.2
313.07144	1.5
315.08893	7.2
317.10226	5.7
325.07208	3.7
327.08728	1.9
340.05615	2.1
343.08258	13.1
355.07837	2.2
356.08997	2.8
357.09436	2.1
467.13254	2.8
479.13498	43.1
480.13614	6.1
497.14517	5.7
523.14526	11.4
524.15015	1.8
525.16028	3.6
564.67188	1.6
633.21552	3.1
659.19238	2.6
677.20795	87.8
678.09705	2.4
678.21039	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	677.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.0
59.01378	10.2
61.98820	8.0
66.51358	1.5
69.63654	6.4
69.64072	5.3
71.01366	5.7
81.03431	2.3
83.01392	10.4
85.02959	2.3
89.02445	3.6
91.92493	1.9
93.03451	4.4
95.01413	3.9
95.05027	8.5
97.02952	12.3
98.20550	2.1
101.02445	4.4
107.05036	2.0
108.02175	4.2
109.02951	33.0
111.00878	2.3
113.02446	2.7
113.06084	4.8
119.05067	1.9
121.02932	8.6
122.03707	3.9
123.00871	5.7
123.04543	22.4
124.01657	3.7
125.02440	19.1
133.02945	2.2
135.04536	3.4
135.87379	2.1
137.02457	17.6
137.05949	2.3
138.03188	7.3
139.04028	8.7
146.03737	2.9
147.04465	1.6
149.02449	14.5
150.03111	2.2
151.04025	13.2
159.04491	4.6
160.05209	2.1
161.02448	21.0
161.06059	9.4
162.03136	5.3
163.00296	5.2
163.03986	7.1
164.01115	7.4
165.01929	9.4
175.03932	8.2
177.01959	13.9
177.05513	1.7
178.02623	1.7
179.03545	8.2
181.05049	25.8
187.03954	7.2
188.04745	3.4
191.07039	1.9
201.05566	2.8
202.02771	1.7
202.06316	3.4
203.03479	2.5
203.07098	19.5
205.05055	14.6
208.06987	1.8
217.05188	2.9
220.03691	4.6
221.04398	1.7
221.08243	3.6
227.07158	2.9
229.00986	1.6
233.04494	1.8
245.08148	22.6
247.06062	7.0
269.04816	1.9
285.04022	2.1
289.07175	100.0
290.07431	5.8
297.04221	1.6
301.07037	2.6
303.08954	1.8
313.06897	2.7
315.08725	5.7
317.10080	7.7
325.07202	3.5
327.08475	2.7
327.13651	1.7
341.06509	2.3
343.08197	14.8
350.31580	2.0
350.82532	2.0
357.09616	3.5
479.13422	36.3
480.13748	5.0
497.14563	4.4
523.14490	9.2
525.15875	4.3
566.14941	2.2
633.22058	3.1
664.40393	2.0
677.20825	98.0
678.21216	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	676.392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36958	0.2
57.55432	0.3
59.01373	0.7
61.98835	100.0
62.34640	0.2
63.99259	0.3
69.87270	1.3
70.23875	0.2
88.98848	0.4
89.02427	0.3
94.50824	0.2
117.39061	0.2
123.04608	0.2
214.06227	0.3
244.19595	0.2
244.65640	0.2
248.34940	0.3
273.20508	0.3
405.09634	0.3
423.90173	0.2
613.39807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01388	10.8
61.98815	3.7
69.03481	1.9
69.42996	13.6
69.43395	3.4
71.01379	7.3
73.56863	1.7
81.03463	3.9
82.48203	1.5
83.01398	8.3
85.02985	1.9
86.70685	1.8
89.02465	5.8
93.03450	2.5
95.01397	1.8
95.05029	7.1
97.02960	11.1
98.15871	1.9
101.02443	3.8
108.02157	2.0
109.02960	31.5
110.38569	1.8
113.02402	3.2
113.06087	4.3
120.99676	2.4
121.02976	5.2
122.03722	4.0
123.00871	6.5
123.04554	23.7
124.01685	2.7
125.02455	26.6
129.29524	2.0
133.03036	2.0
135.04552	4.2
137.02446	25.0
137.06097	2.2
138.03189	5.6
139.03986	9.7
146.03755	1.9
149.02455	10.5
150.03241	3.0
151.04015	16.7
159.04524	5.7
161.02457	14.6
161.06090	7.2
162.03220	3.6
162.06468	2.1
163.00316	4.5
163.03984	6.2
164.01149	5.6
165.01971	9.4
167.03436	2.3
173.06007	2.3
175.03938	9.1
177.01920	8.6
179.03490	10.2
181.05098	22.7
185.81593	2.0
187.03987	5.1
188.04749	5.6
201.05609	2.1
202.06448	3.0
203.03479	2.4
203.07118	15.3
203.66039	1.8
205.05090	14.2
212.04796	2.0
213.05630	2.5
217.05032	2.2
218.05853	1.8
219.02831	2.0
220.03712	3.7
221.04407	2.3
221.08261	3.5
227.07143	3.5
231.03058	2.1
245.08235	18.9
246.08479	3.8
247.06120	7.4
271.06018	2.8
285.04056	3.3
289.07193	100.0
290.07523	13.7
291.07666	4.3
299.09219	2.8
300.06430	3.0
315.08585	8.4
317.10291	6.0
343.08224	14.4
357.09805	2.7
387.12936	4.3
411.14526	1.9
479.13437	28.5
480.13889	4.6
497.14563	2.8
523.14587	6.1
525.15985	5.5
533.18475	2.5
598.34045	2.3
677.09210	4.0
677.20831	80.1
678.21216	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	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
56.75089	0.2
57.03460	1.2
58.00595	2.5
59.01382	52.5
60.01729	0.4
61.98828	0.5
62.99809	0.2
65.03967	0.2
67.01878	0.3
68.90066	0.3
68.99817	0.5
69.03455	2.8
71.01385	43.6
72.01727	0.6
72.99303	3.1
73.02948	7.1
75.00869	0.9
81.03467	1.9
83.01390	4.7
83.05035	0.3
84.02158	0.4
84.77192	0.2
85.02956	8.6
86.00109	0.5
87.00880	11.0
89.02448	39.0
90.02792	0.6
91.04019	1.0
93.03461	0.4
95.01395	3.1
96.81837	0.2
97.02954	7.0
98.03310	0.3
98.20661	0.3
99.00869	2.2
99.04511	0.6
101.02448	33.8
102.02783	0.6
103.00403	0.4
103.04004	0.5
109.02939	0.9
111.00893	0.6
111.04519	1.1
112.01683	0.2
113.02454	18.5
114.02793	0.4
115.04023	0.9
119.03506	12.3
120.03881	0.3
121.02962	0.7
123.00879	0.5
123.04507	0.4
124.01641	0.5
125.02449	14.8
126.02792	0.5
127.04011	0.6
131.03510	2.0
133.05086	1.2
137.02393	0.5
139.04062	1.1
141.01945	0.7
143.03508	7.2
145.05051	0.3
149.02495	0.4
149.04581	1.2
157.05051	0.4
161.04559	8.1
167.03477	0.9
169.05014	0.5
171.02950	0.3
179.05621	7.0
180.06036	0.2
185.04544	0.7
199.06116	0.8
203.05563	0.6
217.07147	0.9
219.05058	0.4
221.06651	2.8
224.20236	0.2
227.05357	0.2
229.57680	0.2
233.06671	0.2
233.22864	0.4
235.08221	15.4
236.08559	0.5
245.06639	1.0
253.09306	4.3
259.20737	0.6
263.07730	1.9
277.09558	1.3
277.21716	100.0
278.22067	9.0
287.07748	3.3
288.07813	0.3
291.23309	0.4
305.08789	3.9
306.09375	0.2
323.09848	2.2
361.11270	0.8
379.12564	1.1
397.13507	80.9
398.13803	7.4
415.14575	35.7
416.14835	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03446	1.5
58.00331	0.4
58.00593	2.4
59.01384	49.9
60.01737	0.5
61.98830	0.6
68.99837	0.6
69.03465	3.2
71.01387	43.9
71.04994	0.3
72.01737	0.8
72.99313	3.3
73.02956	7.0
75.00876	0.9
76.52207	0.3
81.03452	2.2
83.01394	5.2
83.05023	0.5
83.97372	0.2
85.02959	9.9
86.00087	0.4
87.00470	0.2
87.00880	10.9
89.02451	39.4
90.02792	0.6
91.04008	0.8
93.03448	0.4
95.01398	3.5
97.02956	7.0
99.00883	2.4
99.04546	0.6
101.02451	34.5
102.02737	0.6
103.00382	0.3
103.04022	0.6
107.04971	0.3
107.79930	0.2
109.02946	0.8
111.00910	0.6
111.04549	1.7
112.01724	0.3
113.02460	16.8
114.02818	0.5
115.04015	1.0
119.03507	11.9
121.02979	0.6
123.00862	0.5
123.04517	0.4
124.01689	0.4
125.02454	14.2
126.02755	0.6
127.03989	0.4
131.03523	2.1
133.05028	1.2
137.02403	0.5
139.04007	1.4
141.01941	0.8
143.03505	7.0
144.97496	0.3
149.04567	1.6
151.04059	0.4
157.05153	0.3
161.04567	8.7
167.03519	0.7
169.05051	0.6
171.03091	0.4
179.05624	7.4
180.05992	0.4
182.18179	0.3
185.04521	0.8
199.06113	0.7
203.05606	0.6
217.07167	1.3
219.05009	0.4
221.06642	2.3
233.22809	0.4
235.08231	16.1
236.08583	0.5
237.27303	0.3
245.06718	0.8
253.09265	4.1
259.20706	0.6
263.07712	1.8
275.20111	0.4
277.09286	1.1
277.21722	100.0
278.22067	9.3
287.07721	3.4
291.23499	0.3
305.08801	3.7
319.22324	0.3
323.09775	2.6
338.84900	0.3
361.11395	0.6
379.12543	1.2
386.52881	0.3
397.13510	83.1
398.08911	0.4
398.13840	5.8
415.14572	35.4
416.15002	2.8
617.39563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29104	1.0
57.03441	2.3
58.80051	1.2
60.13843	1.1
71.15578	1.0
73.68477	1.1
81.03434	2.7
83.01395	3.6
93.03475	1.2
95.05035	3.5
97.02952	5.0
98.19851	3.8
108.02134	1.2
109.02953	25.3
113.93753	1.1
118.18919	1.5
118.94827	1.1
121.02944	2.4
123.04538	15.3
125.02427	14.4
129.68968	1.1
135.04520	2.7
137.02446	8.3
139.04002	2.4
145.02946	2.0
149.02460	4.3
150.03156	3.2
151.04034	7.1
159.04491	1.9
161.02454	1.4
161.06090	3.5
162.03256	1.6
164.01169	2.6
165.01930	3.1
167.03488	1.4
175.04060	1.7
175.07542	1.9
179.03477	3.7
187.03960	3.4
188.04791	3.2
202.06377	2.1
203.07153	12.3
205.05048	6.2
221.08189	4.5
245.08162	19.6
246.08430	1.7
289.07187	100.0
290.07449	9.6
318.04419	1.3
331.24765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25999	0.9
57.03451	17.1
59.01380	8.1
60.99325	1.0
61.98832	41.6
65.03992	1.1
67.04053	0.9
69.03447	1.4
70.06867	0.8
71.01383	6.3
73.02950	2.3
81.03463	2.5
83.01395	5.3
83.05022	3.4
85.02930	2.5
87.00888	2.2
88.98793	2.2
89.02439	3.0
93.03445	2.9
95.01391	2.0
95.05040	1.6
96.95996	2.0
96.96983	1.1
97.02927	5.1
98.20659	2.2
99.04504	1.3
100.48811	0.8
101.02453	4.4
101.28197	0.9
101.47353	0.8
107.04994	1.2
108.02177	2.7
108.53053	0.9
109.02966	18.0
110.03243	1.2
111.00905	1.2
111.04568	1.5
113.02422	1.6
116.92850	2.2
119.03510	1.3
119.05096	0.9
121.02943	5.5
122.03759	1.4
123.00848	1.6
123.04526	13.6
124.01669	1.9
125.02451	100.0
126.02795	2.9
127.04007	8.9
133.02922	3.7
135.04526	2.4
137.02448	26.9
137.06041	1.8
138.03143	1.0
139.04063	4.3
139.07622	2.1
145.02969	1.3
147.04469	1.5
149.02434	7.1
150.03241	2.3
151.04015	12.6
152.01195	1.3
152.04396	1.0
153.01894	1.1
159.04482	2.3
160.05244	1.0
161.02448	27.3
161.04591	1.1
161.06104	2.9
162.03038	2.2
163.00340	2.2
163.04004	3.4
164.01117	3.4
165.01929	6.7
165.05559	3.4
167.03484	2.0
168.00687	1.1
175.03975	4.8
175.07610	1.6
177.01953	4.8
177.05493	1.3
179.03520	6.6
179.07120	2.2
179.10701	1.1
187.03999	3.0
188.04701	1.8
190.02722	1.5
191.03433	1.8
191.07112	3.7
193.05219	1.0
195.06483	1.0
201.05588	1.4
202.06403	1.6
203.03337	1.5
203.07133	7.7
205.01465	2.3
205.05080	9.6
209.11772	1.3
211.13445	1.2
213.05409	1.6
217.04973	2.8
217.08630	1.1
219.06590	1.4
221.08232	2.2
223.09833	1.2
227.03445	0.9
227.07149	1.5
229.04907	2.3
231.06644	7.6
232.07005	1.0
235.09770	4.1
243.02940	2.5
245.04501	3.8
245.08191	10.5
246.08389	1.1
255.02988	2.7
255.06557	1.1
256.03687	1.8
257.04443	1.6
259.06116	1.5
269.04449	2.0
273.07666	2.7
281.04355	3.0
285.04059	2.9
287.05566	5.5
289.07181	37.2
290.07443	3.9
297.07516	1.6
299.12903	1.4
303.08759	1.8
305.06595	3.6
317.06628	3.9
339.08649	1.5
343.11923	6.0
353.09967	1.8
371.11063	1.3
385.12576	1.1
387.14471	25.0
388.14960	2.9
397.12918	8.7
398.13388	1.1
407.07709	7.5
408.07938	1.3
427.14072	1.1
451.10352	5.0
454.31284	1.1
461.12378	3.2
469.31549	1.9
473.13766	0.9
505.15060	31.3
506.15475	5.0
523.15936	9.3
524.16241	1.8
529.22675	1.0
547.31158	3.1
549.17664	9.9
550.18042	1.8
612.27600	1.1
631.37286	4.7
675.19824	7.0
675.36682	6.2
676.20898	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	675.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.4
59.01377	7.4
61.98836	15.0
64.51005	1.4
70.24130	3.4
71.01388	5.7
73.02937	3.0
81.03465	1.7
83.01389	6.9
85.02958	3.5
89.02451	3.3
93.03449	1.9
93.07098	2.1
93.49119	1.6
97.02965	5.1
98.19923	2.7
101.02459	3.0
103.04018	1.6
109.02969	17.6
111.00883	2.6
113.02473	3.1
121.02953	3.9
122.03744	2.4
123.04546	12.8
125.02460	100.0
126.02782	4.0
133.02969	2.0
135.08157	3.4
137.02463	22.6
138.03191	1.8
139.04013	4.9
149.02449	6.0
151.04056	14.4
159.04568	3.3
161.02461	21.3
161.06056	3.0
162.03157	2.3
163.04016	3.9
164.01157	4.8
165.01913	8.1
167.03474	2.2
174.03250	1.9
175.03969	5.8
175.07628	2.0
177.01872	3.5
179.03532	4.8
179.07106	14.5
183.44060	1.6
187.04031	7.6
188.04810	2.6
189.01965	1.6
191.07121	2.4
201.05457	2.4
203.03575	2.2
203.07198	8.7
205.05048	5.9
213.05560	1.7
215.07132	2.0
219.06560	7.3
223.09747	21.0
225.07756	2.2
227.03542	6.6
229.05060	4.7
231.03145	2.0
243.12181	1.9
245.04536	3.0
245.08203	12.6
255.02983	10.6
256.03674	2.9
269.04605	2.3
284.03394	13.0
285.04062	19.3
286.04395	1.9
287.05566	4.3
289.07214	58.8
290.07422	4.4
299.05637	3.7
333.10898	1.7
339.08701	2.3
343.11835	2.9
371.11224	4.0
385.13010	17.8
386.12933	2.5
407.07916	9.3
431.09827	24.0
432.09760	2.3
451.10284	11.4
505.14886	15.3
506.15005	3.0
513.21771	2.6
523.16107	21.3
554.02264	1.8
675.20715	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	673.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75189	0.6
59.01386	5.1
61.98834	9.1
64.03577	0.6
64.15536	0.5
71.01389	11.9
71.62573	0.9
73.02952	1.4
75.00872	1.6
78.95905	1.4
83.01403	0.7
85.02964	1.4
89.02467	3.0
95.01376	0.7
99.00866	0.6
101.02438	3.0
111.27235	0.6
113.02457	2.5
125.02410	1.0
137.02338	0.6
139.07759	0.6
143.03503	0.7
193.61597	0.7
201.23451	0.7
215.15849	0.6
233.15482	26.8
234.15805	1.8
242.51518	0.6
273.22226	0.7
277.21735	100.0
278.22079	8.1
291.23364	2.2
301.21732	3.3
319.22791	11.3
320.23138	1.2
331.22824	1.9
349.23727	2.5
373.23779	0.8
673.43213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43358	0.6
57.03446	2.5
59.01368	1.9
61.98841	4.1
71.01388	1.6
71.62112	1.1
73.02953	1.6
75.21272	0.7
81.03450	2.5
83.01419	0.8
85.02992	0.7
89.02415	0.8
93.03473	0.7
97.06551	0.6
99.04517	4.9
101.02435	1.2
102.98570	0.7
103.65201	0.7
108.02171	2.7
109.02949	2.5
109.06615	0.7
121.02950	1.8
121.06599	1.2
123.00907	0.9
123.04606	0.9
123.08154	3.0
125.02410	3.3
125.09725	10.9
135.02983	1.5
135.04524	0.9
137.02457	3.7
141.09216	1.2
147.04436	0.7
149.02460	1.3
149.30618	0.7
151.04083	1.3
152.01125	1.3
153.01926	3.0
161.02444	2.1
165.01884	1.7
168.00674	0.8
173.06078	0.8
175.03972	1.4
191.14493	3.9
193.16006	1.1
201.05624	1.4
213.16180	0.7
221.15479	6.4
239.16577	5.4
240.17090	1.0
243.06529	0.9
245.04486	1.0
259.06088	1.7
263.05646	0.9
265.14435	2.6
270.61987	0.7
283.15518	100.0
284.15814	11.1
285.16052	2.9
286.16406	1.0
287.05640	2.4
287.15085	3.4
289.07156	2.6
315.07208	2.8
555.15015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3806
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
57.03436	1.3
57.55031	0.5
59.01368	2.3
61.98827	6.0
67.40746	0.5
70.23209	1.1
70.23615	1.4
71.01373	1.6
71.05022	0.5
82.96135	0.5
83.01362	0.7
85.02953	1.1
86.26726	0.5
93.03448	1.1
95.01385	0.9
97.02902	0.7
98.19936	0.8
99.04491	0.6
101.02428	1.0
108.02172	0.8
109.02960	1.9
111.04556	0.6
113.02437	0.7
118.36065	0.6
119.03487	0.6
121.02961	1.2
121.06569	1.6
122.03724	1.8
123.04510	1.5
123.08163	0.6
125.02445	4.9
135.04497	1.8
136.05304	36.6
137.02423	4.4
137.05890	1.2
137.09714	1.0
137.89265	0.6
147.08199	1.1
148.05283	0.5
149.02457	0.5
149.06065	6.2
149.09683	0.5
150.06883	4.9
151.03993	1.2
153.01920	0.9
161.02437	1.7
162.06880	1.2
163.07661	1.1
164.01233	0.7
164.08401	4.0
165.01929	2.7
165.09215	28.6
166.09525	1.3
167.10713	0.5
168.00375	0.6
175.04062	0.6
177.01926	0.8
179.07086	0.6
179.10712	1.1
187.03998	0.7
205.04987	1.0
209.11806	3.5
219.59305	0.5
227.03574	0.6
227.12794	1.0
229.57741	0.6
245.08540	0.6
255.02861	0.6
285.03989	1.4
289.07239	3.4
332.64597	0.5
345.22833	6.0
346.23004	0.6
385.13040	0.7
447.31128	1.2
449.32584	0.7
450.29733	1.4
465.25525	0.8
465.32117	13.3
466.32513	1.7
492.30887	1.2
493.31595	3.4
510.31897	3.0
511.32684	27.9
512.32928	4.7
602.09149	0.6
673.38043	100.0
674.38354	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	6.2
65.00337	1.3
71.08285	2.6
74.58347	1.1
83.01389	1.2
88.98784	1.0
107.01381	2.2
119.07367	1.3
121.02982	1.7
125.02431	2.8
125.95273	1.2
148.01712	1.3
151.00349	10.2
151.03960	1.3
163.00420	1.9
178.99837	4.1
227.03563	2.2
243.02924	7.7
245.04567	1.1
254.02188	1.4
255.02974	21.2
256.03293	1.6
260.32224	1.1
271.02460	41.6
272.02969	2.7
273.03766	1.8
283.15454	1.1
300.02740	75.3
301.03452	35.3
302.03867	3.2
447.09283	5.0
609.14587	100.0
610.14972	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	673.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01377	12.4
61.98827	4.7
64.98032	0.7
69.41151	5.2
69.41555	1.0
71.01385	6.3
73.02927	0.7
83.01373	1.6
85.02937	2.0
88.98797	0.9
89.02438	7.3
93.71789	0.7
95.01405	3.7
96.96007	1.1
97.02948	0.8
98.20612	1.0
101.02438	5.9
107.01382	2.6
108.02210	1.0
109.02967	3.4
113.02426	2.2
119.03498	2.6
119.84930	0.6
121.02943	1.5
123.00877	3.3
123.04503	2.8
124.01665	5.0
125.02451	12.5
135.04491	1.2
137.02472	5.9
138.03130	0.6
139.03967	1.2
148.01666	1.1
149.02411	2.4
149.99588	2.7
150.03224	1.7
151.00391	7.2
151.03996	2.3
152.01086	2.2
159.04492	0.7
161.02403	2.3
163.00323	1.0
163.03958	1.6
165.01924	2.8
174.03215	1.0
177.01950	1.0
181.05025	1.4
187.03975	1.7
196.00079	1.8
203.03342	0.8
203.07076	1.3
204.04245	0.8
205.05064	1.1
217.04984	2.0
227.03490	0.8
229.04927	0.8
241.08623	0.7
242.87668	0.7
245.08171	0.9
247.06129	1.1
256.03421	0.8
267.15967	2.4
269.08411	1.3
269.11792	10.1
270.12180	1.0
271.09647	0.9
289.07153	6.7
290.07599	1.1
291.08704	1.2
313.10736	1.1
315.08731	1.5
377.12241	1.1
383.11359	0.8
407.07501	3.4
425.08994	0.9
426.79813	0.8
466.18311	0.9
492.16068	4.2
493.16833	4.2
495.15250	1.1
503.13202	0.8
510.17252	7.4
511.18085	2.6
547.16113	1.1
643.18121	1.0
673.23486	100.0
674.23706	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.3
61.98519	1.5
61.98832	29.0
69.03437	3.0
71.01369	3.3
75.49972	0.8
78.95918	1.4
81.03481	1.0
83.01378	1.5
85.02959	1.9
89.02438	1.8
95.01389	4.8
96.96021	1.0
97.02951	3.5
101.02438	2.0
107.01424	1.7
108.04536	0.9
109.02921	1.8
113.02460	1.4
114.05618	0.9
123.00875	8.4
123.04498	1.6
124.00835	1.5
124.01667	22.5
125.02452	44.7
126.02744	1.5
129.94618	0.8
135.04485	0.9
136.01576	0.7
137.02444	3.9
139.04056	0.8
139.77243	0.8
145.02974	1.0
149.02477	1.1
149.99580	29.9
150.06882	1.6
151.00421	6.0
151.03990	1.3
151.07521	1.1
161.02495	0.9
161.04579	1.2
161.27788	0.7
165.01900	1.8
167.03468	1.7
168.00641	56.2
169.01396	7.7
179.03534	0.9
207.10126	1.3
209.11801	2.8
213.19148	0.8
225.11163	1.3
257.12924	2.4
285.04022	1.1
329.23230	0.8
357.26401	2.3
423.99445	0.8
611.42090	1.2
671.32654	100.0
672.33075	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	671.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01390	3.4
61.98526	1.3
61.98836	23.3
71.01385	2.2
73.02927	0.6
75.61803	0.5
78.15985	0.6
80.81629	0.5
85.02946	2.0
87.65910	0.5
89.02439	1.3
97.02940	0.6
99.04546	0.7
101.02477	1.3
103.41843	0.5
109.02930	0.9
113.02458	1.1
121.02950	0.9
121.06545	0.6
122.03764	0.7
123.04488	1.7
125.02461	2.1
127.11289	0.8
128.96864	0.5
135.04611	0.6
135.08157	0.9
135.51280	0.6
136.05307	0.8
137.02417	1.8
137.09756	0.9
149.02408	1.1
149.06091	5.8
150.06874	38.5
151.04001	1.2
151.07306	2.0
155.10832	0.8
161.09738	1.4
163.04071	0.5
163.07664	9.8
164.08438	3.9
165.01985	0.7
175.03984	0.8
176.08380	2.2
177.09163	0.9
178.10005	3.1
179.10791	11.4
267.15918	0.7
289.07166	0.9
327.25525	0.8
329.23254	5.3
359.27902	1.0
430.30676	1.1
445.32849	0.9
447.72952	0.6
448.32056	8.0
449.32080	1.1
462.33704	1.3
463.34286	9.9
464.34540	1.6
490.33276	1.3
491.33981	2.6
508.34052	2.4
509.34833	28.8
510.35251	3.3
543.92047	0.6
611.30908	0.8
615.59875	0.6
645.59784	0.6
671.40228	100.0
672.29156	0.8
672.40540	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	671.4014
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03453	0.5
59.01374	1.3
59.03568	0.5
61.98520	0.9
61.98831	14.5
68.18961	0.5
70.07026	2.3
71.01382	1.6
73.02959	1.0
85.02954	0.7
88.98804	0.7
89.02435	0.7
95.11862	0.5
98.19926	0.6
101.02460	1.0
111.04574	0.7
123.04490	1.0
124.01646	0.7
125.02432	2.0
133.14851	0.5
135.08159	1.6
136.05278	0.8
137.02434	2.1
149.06071	4.4
150.06863	59.4
151.04042	1.0
151.07275	1.6
157.12320	0.8
163.07652	9.5
164.08426	16.3
165.01926	1.9
171.08572	0.6
177.09189	1.2
178.09969	0.9
179.10774	32.4
180.11081	1.4
207.10144	0.6
209.11890	1.5
215.12933	0.5
225.11295	1.8
233.08286	0.6
311.22299	0.8
327.25229	0.7
329.23337	22.1
330.23608	2.4
491.33844	5.8
494.32401	1.7
508.33966	7.2
509.34833	34.5
510.34970	4.8
523.36389	0.9
551.36206	0.9
671.40192	100.0
672.31757	1.0
672.40613	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4016
Annotation	Guineamide D
Peak:m/z	Relative Intensity
55.01884	2.6
57.03457	3.3
59.01381	74.0
61.98832	66.8
70.09319	1.7
71.01386	26.4
71.63221	2.6
72.99313	2.7
73.02960	8.8
77.97758	1.9
78.95887	2.0
80.47625	1.9
81.07819	2.1
83.01414	7.3
85.02950	13.0
87.00899	3.4
89.02454	7.3
96.41044	2.2
97.02990	2.6
99.00898	3.7
101.02450	25.7
113.02478	11.0
116.00501	1.8
119.03503	4.1
125.02448	4.0
137.02452	2.6
139.07651	1.8
149.02405	2.0
160.90370	1.8
161.04631	2.1
163.11243	2.2
165.01880	2.1
174.33032	1.8
207.10298	3.4
209.11868	7.8
211.13403	2.9
225.11377	4.4
227.12904	3.7
229.31877	1.7
239.39754	2.1
253.26350	1.8
391.28638	3.1
400.79102	2.0
553.34027	5.4
611.37286	2.4
613.35950	65.0
614.36285	10.3
671.40436	100.0
672.41064	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	669.3861
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03438	1.8
59.01388	4.4
61.98837	42.1
69.35332	4.8
69.35761	2.8
70.34489	0.8
70.34872	0.8
71.01389	3.3
73.02961	1.3
74.80377	0.8
82.64707	0.9
83.01410	1.2
85.02966	2.3
87.00891	1.1
88.98801	1.0
89.02458	1.6
94.01869	0.8
95.01424	1.1
96.96037	1.4
97.02932	1.1
101.02457	2.2
105.24744	0.9
106.62363	0.8
108.02197	1.6
109.02974	2.5
111.30923	0.9
113.02462	2.1
120.13100	0.8
121.02995	2.4
122.03770	1.4
123.04517	4.4
125.02454	3.5
137.02448	7.0
137.30014	0.8
145.02957	1.0
149.02469	2.4
149.06082	2.7
149.99626	1.3
150.06871	52.3
151.04074	2.1
151.07256	1.6
152.01120	1.1
161.02496	1.4
161.06096	1.0
162.06795	1.0
163.04056	1.3
163.07657	9.9
164.01140	1.0
164.08440	12.2
165.01932	5.5
167.03522	2.3
168.00606	1.6
169.13945	0.9
171.10301	3.5
175.04050	1.1
177.01981	0.8
178.10039	1.6
179.03525	1.2
179.10783	27.5
180.11107	1.4
183.65096	0.9
185.11948	1.1
193.04977	1.0
199.00665	0.9
201.12869	1.0
205.05043	1.8
241.14594	0.9
245.11880	2.8
288.06332	1.5
300.33270	0.9
301.07407	1.1
320.19916	0.9
327.21783	18.1
328.22134	2.1
336.27927	0.9
357.26291	2.0
419.63208	1.0
489.32339	4.6
492.30634	1.7
506.32251	4.1
507.33206	33.1
508.33508	5.1
521.35248	1.1
669.29175	11.9
669.38818	100.0
670.29327	3.1
670.39252	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	669.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.6
61.98832	100.0
70.65855	7.5
70.66228	6.6
78.95905	20.7
96.96951	3.2
105.28121	3.1
118.18833	3.0
152.99593	15.3
171.10248	7.3
222.68015	3.0
255.23251	14.3
258.93011	3.3
261.14209	3.9
261.22058	3.3
277.21603	10.1
291.23163	3.3
349.20197	6.3
391.22525	3.4
451.66287	3.3
669.44061	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01370	0.6
59.16049	0.3
59.56134	0.2
60.31162	0.2
61.98833	0.2
63.49979	0.2
69.03452	0.4
69.41634	1.8
71.01359	0.3
71.05009	0.4
73.02947	0.8
81.03458	2.4
91.75568	0.2
97.02953	0.3
97.06583	1.0
99.04527	5.0
109.06585	0.4
111.00883	0.6
121.06579	0.9
123.08166	3.9
124.08415	0.3
125.09734	10.2
126.10077	0.5
141.09209	0.8
151.07600	0.4
152.59804	0.2
153.09200	0.5
161.02396	0.2
161.04491	0.3
164.03427	0.2
165.09212	0.5
177.12788	0.4
191.14394	3.8
193.16000	1.1
201.12793	0.4
202.13202	0.3
203.14346	0.6
221.15477	5.0
222.15817	0.5
237.14882	0.3
239.16515	7.0
240.16833	0.3
265.14450	1.5
275.65588	0.2
281.13959	2.3
282.14380	1.4
283.15509	100.0
284.15836	6.6
561.02551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65643	0.5
57.03439	2.4
59.01371	0.9
61.98817	2.9
67.01886	0.5
69.03453	0.8
69.71916	3.8
71.01372	0.9
81.03442	2.6
83.01398	3.9
85.02927	0.8
89.02446	0.8
93.03450	1.6
94.30048	0.6
95.05042	4.1
97.02953	6.4
108.02184	1.0
109.02957	24.1
110.03284	0.7
111.00907	0.8
113.02459	0.6
116.92841	2.7
121.02953	3.5
122.03706	0.8
123.04525	15.2
125.02445	17.5
134.99713	0.6
135.04506	2.6
137.02443	10.0
138.03290	1.2
139.04015	3.4
145.03012	0.7
146.03740	1.4
149.02422	3.9
150.03181	1.3
151.04004	9.2
159.04512	2.6
160.05231	1.9
161.02458	1.5
161.06055	5.1
162.03232	2.2
163.03963	0.8
164.01152	3.3
165.01889	4.3
166.02565	0.6
167.03493	2.6
173.06052	1.7
175.03967	2.6
175.07616	2.0
177.05540	0.8
179.03513	5.4
185.06207	0.8
187.04039	4.3
188.04749	3.2
201.05626	0.6
202.06387	1.9
203.07140	11.2
204.07474	1.5
205.05028	6.7
212.04745	1.1
221.08182	3.1
225.08218	0.5
227.07118	1.5
230.05795	1.1
245.08150	16.2
246.08504	1.0
247.06090	0.8
271.06076	0.8
277.11569	0.7
289.07178	100.0
290.07471	7.7
321.52838	0.6
355.79507	0.7
400.59152	0.6
477.86322	0.7
572.26923	0.6
604.29047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56726	0.8
57.03427	0.8
59.01376	4.2
60.99308	16.4
61.98837	1.6
71.01385	1.4
73.02970	0.9
83.86832	0.8
85.02970	1.1
88.98808	100.0
89.02480	0.8
89.99117	0.8
90.61414	0.7
97.20808	0.9
100.51596	0.8
117.03478	1.5
125.02465	0.9
125.06353	0.8
149.02313	0.9
175.00325	2.1
177.01810	1.0
195.06731	0.8
200.33893	0.9
227.35284	0.8
279.12491	2.7
281.10245	1.0
282.05295	1.3
283.06232	1.6
293.04575	21.3
294.04822	1.5
311.05640	1.3
323.05798	1.1
342.13840	1.1
413.08881	6.5
577.15619	26.5
578.15906	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13320	0.5
52.04369	0.5
53.12215	0.5
54.14588	0.5
55.01873	0.9
57.03437	1.3
58.00590	2.1
58.54207	0.5
59.01388	40.6
60.01727	0.6
61.98837	7.0
64.84888	0.5
67.97243	0.5
69.03453	2.9
70.55738	0.5
71.01389	38.1
71.62636	0.6
72.01733	0.8
72.99322	3.3
73.02956	5.5
75.00869	1.2
81.03452	2.2
83.01396	5.3
85.02960	7.8
86.00141	0.5
87.00890	8.6
89.02451	34.4
91.04017	0.7
95.01387	3.0
97.02972	7.2
99.00880	2.8
100.10130	0.6
101.02454	29.6
102.02776	0.8
109.02940	0.8
109.38445	0.5
111.00902	0.6
111.04528	1.6
113.02459	16.1
115.04025	0.9
119.02739	0.9
119.03504	9.8
121.02892	0.7
125.02460	13.2
127.04048	0.6
131.03516	1.8
133.05048	1.0
141.01945	0.9
143.03510	6.4
144.60031	0.6
149.04562	0.8
159.16394	0.6
161.04564	7.7
167.03474	0.8
169.05124	0.7
171.10277	1.1
179.05617	7.5
185.04602	1.4
217.07176	0.7
217.74959	0.5
221.06651	2.6
235.08234	15.2
236.08575	0.9
245.06595	0.8
253.09268	3.5
259.20596	1.1
263.07693	1.5
269.24869	100.0
270.25229	7.6
277.09317	1.4
277.21750	5.1
287.07715	3.3
303.19742	0.9
305.08786	3.3
323.09875	2.6
333.20596	0.6
347.18701	3.3
361.11295	1.0
379.12369	1.1
397.13528	91.9
398.13806	8.4
415.14584	34.2
416.15005	3.2
587.53217	0.6
667.41766	4.3
668.41693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40022	1.7
55.32564	1.7
57.03443	5.5
61.98823	2.3
62.02011	1.8
71.01378	4.1
71.61896	2.5
81.03463	2.2
83.01409	2.2
85.46099	1.8
89.02429	1.9
93.03435	1.9
95.01438	2.7
95.05023	3.8
97.02959	3.0
101.02436	3.2
107.04991	1.8
109.02956	15.5
111.00852	9.0
111.04504	3.0
121.02973	2.5
123.00871	4.2
123.04600	2.7
124.01643	2.8
125.02452	78.9
126.02777	3.9
135.04553	2.8
137.02443	22.6
139.04013	12.2
151.04039	3.3
154.29755	1.7
161.02472	4.9
164.01126	6.1
165.01970	13.8
166.02655	3.9
167.03502	17.1
168.00661	2.5
175.04059	3.9
177.05556	2.7
179.03519	17.5
203.03523	3.1
204.04219	2.4
219.06586	10.5
221.04572	3.5
224.39539	1.9
261.07803	2.3
305.06644	100.0
306.06967	6.7
321.15823	1.7
355.26242	1.9
555.49188	2.1
665.19330	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47473	11.5
51.74695	9.4
51.92009	9.8
55.15672	9.1
58.58761	9.8
59.01379	64.8
59.48653	11.5
61.98838	100.0
66.28527	9.4
69.68572	62.6
152.99495	10.6
195.98903	11.0
221.76498	11.6
277.21677	58.4
291.23059	8.9
511.66501	9.8
665.40796	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	667.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	11.0
60.99303	22.9
61.98842	4.3
71.62542	2.1
79.67458	1.8
81.03436	2.8
83.01395	2.8
83.32297	2.1
88.98811	98.3
89.90735	2.2
96.96009	4.7
97.02945	3.4
109.02956	18.7
111.00889	3.6
111.41006	2.3
123.04504	11.6
125.02452	100.0
126.02787	3.5
133.02916	3.1
137.02446	22.2
139.04022	2.8
149.02370	5.0
151.04062	11.0
159.04471	2.3
161.02428	29.5
161.06070	4.4
163.03958	3.3
164.01151	4.0
165.01894	8.1
165.05626	2.7
175.03951	12.1
177.01930	6.5
179.03453	3.3
187.03983	7.3
188.04781	3.3
203.07156	11.6
205.05025	7.1
221.08250	2.5
229.05032	2.8
245.04552	9.3
245.08231	13.4
249.07971	23.0
255.02888	9.0
256.03461	3.5
273.03964	5.8
281.04623	3.7
285.04230	3.5
287.05618	15.1
289.07178	61.8
290.07391	4.4
299.05566	9.0
329.06955	2.3
339.08652	3.3
381.09631	3.7
407.07715	77.6
408.08078	10.0
425.08774	73.4
426.09027	8.6
451.10309	21.8
510.90274	2.6
577.13501	29.3
578.13757	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	667.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10789	0.5
57.27752	0.6
59.01376	2.3
60.99308	16.7
61.98830	23.5
65.35059	0.6
69.40345	2.9
69.40765	2.0
71.01373	1.7
75.00872	0.8
79.75676	0.6
82.07051	0.7
85.02952	0.7
88.98808	100.0
89.02421	0.7
89.99113	1.0
91.57195	0.6
101.02457	1.6
108.02165	0.9
116.92867	1.4
119.03516	0.7
119.04947	0.6
121.73238	0.6
123.00839	0.8
123.04530	1.3
125.02424	1.8
132.36517	0.6
137.02444	0.7
145.02957	0.7
149.99585	0.9
151.04015	0.6
151.07657	2.7
165.01869	0.7
168.00688	0.7
229.05037	0.8
247.94374	0.6
284.03122	1.7
285.04086	7.5
286.04297	0.9
319.67755	0.7
347.13391	0.7
369.58002	0.7
577.13477	3.6
578.13123	0.8
613.39343	0.8
629.39130	11.4
630.39532	6.6
631.39868	3.3
634.25085	0.9
667.29248	2.8
667.38159	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75539	1.2
57.03453	2.7
59.01387	5.5
61.98836	5.6
69.03454	1.9
71.01385	3.3
73.02930	2.8
83.01380	5.4
85.02945	2.9
87.00887	1.4
89.02419	1.6
90.45448	0.9
95.01385	4.4
97.02963	1.8
101.02440	3.6
107.01430	1.1
108.02176	2.5
109.02954	2.4
111.00834	2.1
116.92818	1.8
118.65466	1.3
121.02948	2.2
123.00871	12.0
124.00831	1.7
124.01669	20.6
125.02449	71.6
125.09749	1.8
126.02763	2.2
137.02449	6.8
148.27182	1.2
149.02414	1.8
149.84680	1.4
149.99586	34.6
151.00307	4.7
151.03947	2.4
161.02406	1.1
161.04523	1.3
163.00356	1.2
165.01959	2.4
165.98141	1.1
167.03513	2.4
168.00647	61.8
169.01482	6.1
279.12369	4.6
283.15518	10.1
284.16159	1.4
287.97427	1.2
289.07294	1.7
313.05649	5.0
323.27609	1.0
331.06647	8.9
355.06888	1.5
647.17230	1.6
665.19305	100.0
666.19440	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	665.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.9
59.01392	1.9
66.45860	1.2
69.50471	2.0
69.50874	9.7
70.84712	1.4
71.01379	4.7
83.01392	2.6
85.02950	1.5
89.02426	1.5
93.03457	37.8
95.01382	1.7
95.05080	1.9
95.11589	1.4
96.96007	4.3
97.02959	4.2
98.20572	3.2
101.02456	2.6
106.77635	1.3
109.02965	10.2
111.00890	5.9
111.04516	1.5
116.92900	1.8
121.02960	1.6
123.00892	3.9
124.01627	3.0
125.02448	63.7
126.02859	2.0
137.02448	100.0
138.02846	3.1
139.04013	11.6
151.03989	4.2
161.02443	3.2
161.04559	1.7
161.06091	1.8
164.01184	4.4
165.01892	12.4
167.03497	12.9
175.04112	1.6
177.01952	1.5
177.05637	3.8
177.88248	1.5
179.03532	13.8
195.02826	1.9
203.03477	2.1
204.04314	2.1
219.06656	11.0
221.04529	4.6
261.07602	3.3
299.07697	11.7
305.06650	91.9
306.06979	5.6
464.50943	1.5
504.15048	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	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88783	1.0
55.31050	1.0
57.03434	1.2
59.01373	7.7
60.12992	1.1
67.82724	1.2
68.60111	1.1
68.73014	1.0
68.74476	1.1
69.51608	8.7
69.52028	1.8
71.01390	4.8
72.99303	2.2
74.99100	2.2
79.95744	4.4
83.01393	2.6
85.02965	2.7
89.02430	2.0
96.96015	1.2
101.02458	2.6
105.70561	1.0
107.05090	1.7
108.02171	15.2
109.02969	10.0
110.45100	1.0
113.02423	1.9
119.05035	3.9
121.06633	2.6
123.00865	1.1
123.04498	2.1
125.02473	6.7
133.06561	2.3
135.04515	13.7
137.02452	2.0
149.06111	2.1
151.03976	2.0
152.01154	18.6
153.01982	9.3
157.06595	1.7
158.03806	1.8
158.07307	3.0
159.04521	3.5
161.06134	2.6
161.09785	1.3
163.03996	8.3
164.04456	1.5
167.03554	1.6
170.07368	1.5
171.08168	14.4
173.06076	30.4
173.09694	3.2
181.03627	1.6
181.05084	20.2
182.03720	1.9
185.06094	2.3
185.09694	9.6
186.06862	4.7
187.07596	5.7
188.08417	11.9
197.06087	16.9
198.06868	69.9
199.00688	2.0
199.07228	4.5
201.05493	3.7
201.09218	38.9
202.06331	1.9
202.09566	2.4
203.10799	22.1
204.11087	2.1
213.09210	100.0
214.09561	6.6
215.00246	1.7
215.07118	7.7
216.07922	7.0
231.10255	75.4
232.10600	5.9
237.39066	1.3
257.08035	1.6
261.00940	1.5
275.09241	89.6
276.09540	6.0
315.07199	7.1
357.08224	2.5
422.89313	1.2
603.86725	1.3
663.16016	19.2
663.21564	14.1
664.15924	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	664.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31957	0.1
59.01381	0.2
61.29812	0.1
61.98832	100.0
62.98543	0.2
88.98827	0.2
89.02439	0.1
111.91881	0.1
121.03030	0.1
137.02379	0.1
186.52139	0.1
277.21634	0.2
332.32336	0.1
335.02332	0.1
335.44946	0.1
423.31561	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25400	1.6
53.44523	1.9
56.10382	1.9
57.03440	6.3
59.01384	11.2
61.98833	38.8
68.70718	2.0
69.03470	2.9
71.01382	8.8
71.62442	2.3
75.00861	2.3
76.84078	2.2
78.95938	2.1
81.03484	4.1
83.01372	8.0
85.02968	2.4
87.00887	2.7
89.02443	6.8
93.03458	5.8
95.01425	2.8
95.05025	3.0
96.96020	4.8
97.02957	5.5
99.04544	2.1
101.02453	2.9
101.54301	1.8
105.03515	2.6
108.02190	5.0
109.02964	39.7
111.00871	3.3
111.04516	4.9
113.02466	2.5
113.06015	2.1
119.05065	2.6
121.02966	8.8
122.77041	2.1
123.00889	13.1
123.04524	7.4
124.01675	8.4
125.02458	100.0
126.02752	3.7
130.08696	2.2
131.05005	2.3
133.02953	5.0
135.02992	5.2
135.04507	4.9
137.02455	37.1
138.03195	5.9
139.04018	37.5
143.11905	2.8
147.04538	4.1
148.05283	5.6
149.02428	8.9
149.06068	5.5
151.03995	9.8
159.04535	4.0
160.05264	3.6
161.02431	18.6
161.06071	2.6
162.03244	3.8
163.00391	5.1
163.03992	9.6
163.07678	5.7
164.01172	8.1
165.01936	28.2
166.02589	3.8
167.03506	22.3
172.05295	4.3
173.06079	2.8
174.03236	4.7
175.04071	10.8
175.07561	2.4
176.01172	2.1
177.01935	46.2
177.05527	8.3
178.02554	3.8
179.03506	18.3
181.05048	6.3
183.35382	2.3
185.06042	2.3
186.03091	1.9
187.07620	4.8
189.01939	5.1
189.05608	4.9
191.03497	8.0
193.04845	2.8
199.03937	2.8
201.01897	3.2
201.05589	2.3
203.03448	12.0
203.07149	2.2
204.04257	4.1
213.05505	2.4
214.06432	2.9
215.11859	2.7
216.04218	2.6
217.05168	3.8
219.03040	4.0
219.06645	9.0
221.04561	27.3
225.05492	2.2
227.03587	3.0
228.04037	2.3
229.08588	2.3
229.11961	2.7
231.06575	2.2
239.07155	2.2
241.05008	4.9
243.06602	4.0
245.04559	5.3
247.02504	3.2
253.05069	4.0
257.04523	3.9
259.06061	1.9
261.08011	2.6
261.12347	2.1
263.05511	10.7
269.04541	2.9
270.05331	7.7
271.06207	4.0
273.07690	6.3
281.04590	2.6
283.02051	2.1
285.07703	20.1
287.09378	9.8
289.07138	5.8
297.07489	3.1
298.04950	2.2
299.14993	4.6
303.08850	2.5
305.06668	71.7
306.07034	4.9
310.04749	4.2
311.05499	2.8
313.07266	6.4
315.08649	3.2
325.07236	14.2
326.07578	3.6
327.08728	3.9
339.08749	5.5
341.06769	5.7
343.08224	3.9
347.07632	2.5
391.12259	2.0
453.11899	71.2
454.12198	10.8
465.11914	95.9
466.12048	11.4
483.12982	88.3
484.13504	12.1
663.18915	31.1
664.18805	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	661.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77571	0.9
55.01873	0.9
56.75738	0.9
57.03441	2.2
58.48439	0.7
59.01380	10.9
59.07195	0.7
60.33519	0.7
61.98834	37.1
63.99234	1.4
69.03457	1.5
69.50391	1.8
69.50813	4.5
69.74245	0.9
71.01389	8.6
73.02949	2.6
80.31418	0.8
81.03445	2.0
83.01390	6.4
83.05009	1.1
85.02949	2.5
87.00874	1.9
88.98792	2.0
89.02438	4.0
93.03461	2.7
95.01407	1.9
95.05037	1.5
96.96008	7.7
97.02962	5.1
98.20614	1.1
99.04524	1.7
101.02453	5.3
108.02180	2.7
109.02962	10.6
110.03253	0.9
111.04517	1.1
113.02454	4.2
116.37811	1.0
116.92871	2.2
119.03559	1.9
121.02959	5.3
122.03753	9.8
122.06187	0.9
123.04536	8.2
124.01665	3.8
125.02474	10.3
135.04498	2.0
136.01646	2.3
137.02452	31.8
138.03363	1.7
139.03979	3.1
141.09198	2.1
145.02905	2.2
146.03685	1.3
149.02441	4.0
150.03174	1.4
151.04028	3.8
154.02730	2.7
159.04547	2.0
161.02422	3.5
161.04630	2.0
161.06084	5.4
162.03227	1.3
163.00360	2.2
163.04005	2.5
164.01167	8.3
165.01938	54.8
165.05676	1.4
166.02367	1.8
167.03487	2.5
175.04018	1.7
177.01854	1.2
177.05504	2.3
179.03522	7.4
179.05051	1.1
179.05551	1.0
181.05026	1.6
182.17789	0.9
187.04041	6.1
188.04756	1.3
189.05574	1.0
191.07094	1.2
195.06570	1.4
201.05544	3.2
202.06290	1.4
203.07138	8.2
205.05008	5.7
213.05492	1.0
229.05060	2.2
241.05118	2.1
241.38432	1.0
244.07274	2.2
247.06039	1.5
267.10739	1.1
285.04089	1.0
288.06500	7.5
289.07056	1.8
343.11984	1.9
375.27429	2.1
376.27704	1.0
389.06439	1.8
447.14203	1.0
449.92245	0.9
481.22305	3.6
509.23907	7.8
517.14728	1.3
531.32428	1.1
545.11151	2.7
617.29669	3.4
643.18054	7.2
643.27240	1.0
643.37177	1.1
644.18268	1.3
661.28662	100.0
662.29138	20.1
669.15594	1.1
669.27521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
58.00598	0.8
59.01378	6.7
61.98833	54.3
62.99218	0.7
63.99253	1.0
69.03438	0.9
69.78940	4.2
71.01385	5.0
75.92747	0.7
81.03459	1.3
83.01373	5.6
85.02930	1.7
89.02437	3.4
93.03450	3.1
95.01378	1.4
95.05017	2.6
97.02471	0.8
97.02974	6.5
98.20592	0.9
101.02470	3.5
108.02183	1.4
109.02953	14.9
113.02453	1.9
121.02955	3.7
122.03755	5.4
123.04531	14.2
124.01635	2.0
125.02433	5.9
135.04482	1.4
135.08130	1.1
136.01682	1.0
137.02455	18.4
137.06056	1.3
138.03206	1.6
139.04005	3.1
145.02960	1.2
146.03749	2.7
148.32254	0.7
149.02448	6.4
150.03177	0.8
151.04037	5.2
154.02766	0.9
159.04509	3.2
161.02460	3.3
161.06049	7.4
162.03191	2.3
163.03969	2.1
164.01157	4.1
165.01935	22.8
165.05621	0.8
167.03482	1.3
173.06110	0.8
175.04001	2.2
175.07628	1.3
177.05582	2.0
179.03500	3.7
179.07152	1.3
185.06015	1.0
187.04010	3.9
188.04829	2.1
189.05403	0.7
191.07179	1.2
191.81242	0.7
193.08551	0.8
201.05527	1.4
202.06287	1.6
203.07141	12.9
205.05083	11.7
219.06619	2.2
229.05034	1.2
233.08313	0.9
241.05042	1.5
244.07315	1.3
245.08177	1.5
247.06119	3.5
257.11768	0.9
271.09705	0.8
275.12799	1.6
283.10962	1.4
288.06516	1.3
289.07129	3.5
299.12830	2.2
329.17358	0.9
343.11887	2.5
375.27512	1.4
376.27789	1.8
389.06717	1.1
393.38495	0.8
437.23285	1.6
481.22241	11.5
482.22723	1.3
497.23672	1.0
509.23904	1.8
545.10529	0.9
617.30023	3.7
629.17535	1.1
643.17957	2.1
644.17792	1.1
661.28729	100.0
662.20532	1.1
662.29089	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	661.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01378	5.0
59.45855	0.5
61.01832	0.5
61.98830	10.2
69.03452	1.0
69.51034	1.8
69.51463	1.8
71.01379	3.1
72.99302	0.6
73.02929	0.7
81.03445	0.7
83.01373	4.0
83.05036	0.9
85.02945	1.5
89.02448	1.7
91.69572	0.4
93.03468	3.0
95.01389	1.6
95.05023	1.2
97.02951	4.8
101.02448	2.6
107.05045	0.6
108.02167	2.4
109.02960	10.2
111.04529	0.6
113.02451	1.3
116.92883	1.0
121.02957	4.2
121.06593	2.6
122.03769	6.1
123.00909	0.9
123.04533	10.8
124.01675	2.5
125.02432	4.6
133.06583	1.2
135.04517	2.7
135.08194	0.9
136.01660	0.7
137.02448	21.3
137.03494	1.1
137.06091	1.0
138.03148	1.8
139.04016	2.1
143.05083	0.6
145.02940	1.4
146.03751	1.6
148.88435	0.5
149.02461	4.4
149.06058	0.7
150.03238	2.4
151.00372	0.9
151.03984	4.5
151.07629	1.8
152.04385	0.5
154.02679	1.1
159.04587	2.8
160.05287	0.6
161.02435	2.2
161.06056	5.1
162.03250	0.9
163.04036	1.9
164.01178	4.3
165.01924	28.3
165.05559	0.8
166.02562	2.0
167.03522	0.5
168.00662	1.0
173.06136	1.1
175.04108	2.5
175.07613	1.0
177.05545	2.2
179.03526	3.7
179.07100	1.1
180.04259	1.6
181.05029	2.6
185.06116	0.9
187.03995	3.8
187.07605	1.7
188.04764	1.5
189.05537	0.6
190.02562	0.6
191.07077	1.3
195.06596	2.4
201.05495	2.3
202.06386	1.6
202.09807	0.6
203.03572	1.1
203.05347	0.9
203.07135	11.8
204.04352	0.6
204.07198	0.5
205.05052	8.0
217.12326	4.0
219.06589	2.9
225.07666	2.2
231.03000	1.4
241.05026	0.5
244.07373	2.2
247.06152	1.7
252.55487	0.6
261.11316	10.0
262.11911	0.5
288.06409	0.9
289.07150	1.4
299.12854	2.4
309.53778	0.5
315.70422	0.5
343.11749	1.1
357.13351	0.8
492.07135	0.5
497.23743	0.9
509.23816	1.2
511.25354	0.8
551.25006	0.6
563.40350	0.6
591.45728	0.5
617.29749	3.5
643.36627	1.3
661.28662	100.0
662.28937	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	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01386	3.8
61.98829	11.0
65.03967	0.7
69.03448	0.7
69.56827	3.7
71.01387	3.5
73.02938	0.8
81.03471	0.6
81.34594	0.5
83.01401	3.4
85.02956	1.7
89.02457	1.0
93.03452	2.2
95.01406	0.7
95.05038	1.0
97.02943	4.4
99.81025	0.6
101.02448	2.4
108.02155	2.2
109.02965	11.8
113.02462	1.8
116.92842	1.4
117.12921	0.5
121.02975	3.4
121.06592	1.1
122.03757	5.9
123.04536	9.5
124.01646	1.9
125.02454	3.2
135.04543	2.2
135.08138	0.8
136.01665	1.3
137.01419	1.0
137.02454	20.2
137.06090	1.0
138.03178	2.3
139.04016	1.8
145.02954	1.6
146.03716	1.3
147.08208	0.6
149.02434	5.0
149.06087	1.0
149.09648	0.6
150.03142	1.3
151.00359	1.2
151.03986	3.4
151.07686	1.6
154.02759	1.3
158.03761	0.5
159.04514	3.4
160.05267	0.7
161.02429	2.4
161.06082	5.7
162.03230	2.0
163.04016	2.6
163.07545	0.6
164.01181	4.0
165.01938	31.6
165.05571	1.2
166.02550	2.0
170.48981	0.6
173.06139	0.5
175.04037	2.6
175.07642	1.4
177.05528	2.3
179.03514	4.1
179.07132	1.5
180.04274	2.9
181.05095	5.6
185.06049	0.7
187.04005	4.1
187.07588	1.1
188.04718	1.5
189.05562	0.8
190.02759	0.9
190.06412	0.9
191.03426	0.6
191.07118	1.9
195.06616	2.7
201.05559	2.1
202.06345	1.6
203.07129	10.4
204.07500	0.8
205.05070	8.9
205.08682	0.8
206.05367	0.8
210.05324	1.1
219.06676	1.7
223.09846	0.8
225.07600	3.5
231.03058	0.8
244.07307	1.8
247.06079	2.5
257.11801	0.5
261.11441	3.0
288.06430	1.2
289.07288	1.0
299.12891	1.7
342.10922	1.1
343.12094	0.8
357.13321	0.9
360.16364	0.5
481.22232	1.0
497.23999	1.3
509.23889	1.5
511.26025	0.6
551.25275	1.0
617.29553	3.2
643.37042	1.1
661.28662	100.0
662.29065	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	661.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80573	2.6
57.03447	12.5
58.42464	3.0
59.00901	3.2
59.01379	28.8
61.98831	100.0
67.73479	2.7
69.03455	3.9
70.08145	9.5
71.01387	24.8
72.19852	2.6
73.02961	8.5
75.33045	2.9
81.03455	6.7
83.01404	11.2
83.05015	17.5
85.02964	9.0
86.13309	2.9
87.00919	2.9
88.98810	12.2
89.02444	11.0
95.01385	4.4
95.05058	7.4
97.02965	7.1
99.04527	6.9
99.49851	3.7
101.01828	2.8
101.02423	19.0
107.05068	8.0
109.02938	7.3
113.02419	9.2
116.92862	11.2
119.03519	4.9
121.03040	3.5
121.06639	3.9
123.04475	5.9
125.02440	52.4
127.04016	57.0
133.06577	3.6
135.08205	3.7
137.02451	39.5
137.06073	5.4
139.04036	4.7
139.07683	14.8
145.02953	3.7
149.02496	5.4
151.04007	11.1
159.04420	3.8
161.02473	5.4
164.01099	5.9
165.01923	19.0
165.05565	19.7
167.03473	22.0
179.03535	5.1
179.07140	6.1
181.05081	8.6
185.06065	3.6
187.04004	5.1
189.05591	5.7
191.07132	19.8
197.11819	7.1
201.05540	9.4
201.11259	3.7
201.12807	14.7
205.05069	3.9
209.11838	4.2
211.03958	6.4
213.05577	12.0
215.03522	7.7
217.05121	7.1
219.06696	4.6
223.09848	3.8
225.05553	7.5
227.03540	5.7
227.10739	14.9
229.05086	17.8
231.06548	5.9
235.09761	24.0
239.03564	3.8
240.04221	6.0
241.05077	58.0
243.03021	6.6
245.11815	53.5
253.05070	10.7
255.06520	3.8
257.04520	22.9
259.06100	4.7
267.06573	3.6
269.04590	24.0
279.06573	3.4
281.04565	9.8
285.04080	5.9
351.08618	3.9
379.08090	7.2
389.06506	7.4
395.07419	6.3
397.09720	4.1
407.07782	10.6
425.08664	10.0
455.34058	5.4
523.15784	8.1
533.33386	14.3
545.10730	4.3
551.34302	4.3
563.11932	41.6
564.12085	5.0
617.17157	3.8
617.39197	28.0
618.40308	3.9
643.17993	7.0
661.19019	51.2
661.37579	30.7
662.20209	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	659.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99278	0.5
52.81343	0.6
59.01382	100.0
61.64586	0.6
61.98836	5.0
78.95908	5.8
85.00043	0.6
92.12514	0.6
96.96985	0.8
152.99617	1.9
201.14917	0.9
203.81239	0.6
255.23329	1.6
279.23346	2.0
360.33841	0.6
379.11533	0.8
423.97366	0.7
659.35748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18838	0.1
57.03464	0.2
59.01377	0.6
61.13857	0.2
61.98832	100.0
62.98568	0.2
70.19676	0.7
71.01385	0.5
71.08618	0.2
72.75802	0.2
73.02957	0.2
83.01414	0.3
84.00088	0.2
88.98807	0.2
89.02460	0.3
93.03506	0.2
96.96026	0.4
96.96967	0.3
97.02959	0.2
101.02483	0.8
108.02198	0.2
109.02992	0.5
113.02419	0.2
121.02933	0.2
122.03710	0.3
123.00878	0.2
123.04538	0.4
124.01698	0.5
125.02463	1.1
131.03473	0.3
137.02484	1.3
143.03473	0.2
149.02483	0.3
149.99622	0.3
151.04047	0.3
151.07513	0.2
162.03230	0.2
164.01134	0.2
165.01941	1.7
165.09171	0.2
168.00668	0.5
169.01106	0.2
171.63528	0.2
179.03539	0.4
193.08710	0.2
195.06711	0.3
203.07158	0.3
205.05132	0.2
220.69922	0.2
288.63623	0.2
289.07278	0.3
357.26416	1.4
358.26547	0.2
373.13177	0.2
373.25967	0.2
375.27524	6.2
376.28040	0.6
387.83563	0.2
389.29196	0.5
417.28506	1.7
418.28821	0.3
434.15576	0.3
660.17328	0.9
660.27399	0.4
660.36536	0.8
661.18829	0.3
661.28680	2.1
661.37659	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80889	0.7
51.32906	0.7
59.01381	100.0
60.01715	0.9
61.98835	13.3
69.66073	1.8
69.66484	3.1
78.95901	7.1
96.96986	0.8
98.19962	1.5
116.92825	0.9
152.99525	2.3
173.84300	0.8
207.10147	1.1
225.11093	0.8
255.23306	2.3
256.23679	1.1
261.16519	0.9
279.23508	1.3
361.10849	1.1
415.22217	0.8
423.25150	1.0
472.38199	0.9
555.63477	0.8
659.35486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93002	0.3
55.68540	0.4
56.39572	0.4
59.01379	100.0
60.01731	0.7
61.98832	3.1
68.99577	0.6
70.67113	0.3
77.00620	0.3
78.95893	2.7
91.21568	0.4
102.39088	0.3
112.98558	0.5
134.95399	0.3
152.99619	1.0
255.23424	0.5
279.23419	1.1
379.11404	0.4
390.33405	0.4
423.24866	0.5
541.37128	0.4
574.62659	0.4
644.31567	0.4
659.36304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
59.01381	10.2
61.98831	29.0
68.99818	0.8
69.03436	1.5
69.60815	1.4
69.61224	4.1
71.01382	5.9
72.34827	0.7
80.19666	1.0
81.03458	1.6
83.01387	2.8
85.02934	1.2
85.74761	0.7
89.02459	5.5
93.03466	2.9
95.01371	2.4
97.02937	3.0
97.59473	0.7
101.02443	4.4
107.05018	1.1
108.02174	1.7
109.02961	10.8
109.22385	0.7
110.64156	0.7
111.04507	1.7
113.02441	1.9
116.92772	1.0
119.03483	2.0
119.04986	0.8
121.02960	3.2
123.00890	4.1
123.04515	2.6
124.01679	7.3
125.02454	18.2
133.02966	1.3
133.42078	0.7
135.04568	2.0
136.01640	1.6
137.02455	19.0
138.03235	16.5
139.04039	9.1
140.01166	0.8
149.02473	1.6
149.06097	2.2
150.03276	1.0
151.04012	2.7
153.01993	0.9
159.04572	2.0
159.59581	0.8
161.02373	1.9
162.03198	0.9
163.03995	2.0
164.01151	5.8
164.04778	1.5
165.01932	29.6
166.02652	3.0
167.03497	6.4
170.02200	3.3
175.03996	4.3
177.01956	3.9
177.05588	4.4
178.02675	2.5
179.03510	5.8
180.04303	3.6
181.05029	2.9
189.01950	1.4
190.02583	0.8
191.03423	1.8
193.04958	1.2
195.06667	3.2
196.06891	0.7
203.01854	0.8
203.03458	4.5
203.07179	0.9
204.04295	2.6
205.05057	2.2
210.05260	1.3
212.07401	0.7
218.05862	2.3
219.06619	7.7
221.04588	7.3
225.07704	2.0
233.08226	1.1
247.02364	1.3
251.09113	1.0
260.07043	0.8
263.05298	1.0
267.11252	0.9
289.07135	1.2
304.05807	1.1
322.80829	0.8
338.75262	0.8
339.15985	1.2
373.13013	0.8
373.25833	0.8
433.14890	3.5
479.21881	4.8
480.21915	1.0
491.22720	3.7
519.22272	3.6
533.24249	2.0
538.48926	0.8
547.51086	0.9
611.21704	1.6
615.28516	3.5
616.29089	1.0
635.93610	1.0
659.27100	100.0
660.27490	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	659.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23188	0.5
57.03455	0.8
59.01381	1.1
61.98829	2.2
62.03892	0.5
69.95818	3.0
71.01398	0.9
73.02941	0.7
81.03458	0.5
82.50990	0.5
83.01390	1.3
83.05028	0.8
89.02470	0.6
93.03458	0.8
95.05032	1.0
97.02953	1.8
101.02458	0.6
108.02125	1.0
109.02959	8.6
113.17964	0.5
121.02953	2.3
122.03745	1.3
123.04511	4.8
125.02445	3.0
127.04022	1.4
135.04486	1.0
137.02441	7.8
139.04027	3.9
147.04530	0.9
149.02425	5.3
151.04002	4.3
159.04575	1.0
161.02411	2.0
161.06090	0.9
162.03215	0.6
163.04030	0.8
164.01152	1.3
165.01917	2.3
165.05569	0.7
173.02435	0.7
175.03897	0.6
176.01221	1.2
177.01903	2.0
178.02649	1.2
179.03485	2.1
187.04062	0.8
188.04755	0.8
190.02757	1.5
191.03459	3.2
197.06206	0.7
203.07089	2.4
205.05095	4.2
205.12325	77.0
206.05605	0.8
206.12625	4.9
211.92142	0.5
213.05473	2.7
215.07103	10.4
240.23587	0.5
245.08113	2.6
249.11302	100.0
250.09537	0.6
250.11719	6.6
257.08212	3.0
264.69028	0.5
289.07162	15.3
290.07388	1.3
301.07162	27.4
302.07431	2.4
357.13461	1.5
381.15335	0.6
531.31970	0.6
615.37122	1.4
622.91217	0.6
641.35303	1.3
659.20868	4.6
659.36981	1.2
660.21509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33720	0.3
57.03455	0.5
59.01389	2.3
59.86856	0.4
61.98835	100.0
69.03461	0.4
69.46848	2.2
69.47259	0.6
71.01397	1.9
73.04079	1.6
81.03490	0.5
83.01392	0.8
83.05013	0.4
85.02989	0.6
87.00893	0.6
88.98843	0.7
89.02477	1.3
93.03488	0.4
95.02506	0.4
95.05068	0.5
97.02948	0.8
99.02029	0.5
101.02473	1.4
109.02966	3.7
112.05157	0.6
113.02447	0.6
113.03580	0.8
116.92906	0.5
119.03526	0.4
121.02975	0.9
123.04530	2.5
125.02431	2.0
127.04045	0.7
129.10344	1.6
130.06247	1.3
137.02463	3.7
139.04019	1.4
139.08824	0.6
147.04565	0.4
149.02483	1.5
151.04030	1.8
151.08835	1.2
155.08333	0.5
161.02528	0.6
163.04048	0.8
165.01974	1.3
167.03503	0.4
168.11459	0.9
169.07433	0.6
169.09854	1.7
173.06091	0.5
179.03476	0.6
183.11433	0.5
186.12476	1.8
187.03972	0.6
187.08397	1.1
188.04861	0.6
191.03568	0.6
196.10854	0.5
203.07193	1.0
205.05130	1.5
208.54491	0.4
209.11880	1.5
213.05614	0.4
215.07130	4.2
216.07428	0.4
224.17827	0.4
225.13628	1.7
225.15848	0.5
230.83490	0.4
238.19354	0.3
242.18866	0.6
243.14552	3.0
245.08308	0.9
248.59036	0.4
257.08194	2.1
257.17719	0.4
281.19946	1.6
283.14233	0.6
289.07236	6.1
299.20822	1.8
300.16776	0.5
301.07214	9.5
302.07639	0.9
340.16388	0.8
357.19135	1.3
382.30167	0.5
396.22806	1.7
397.23123	0.4
407.52341	0.4
413.25101	2.1
442.47412	0.4
452.28540	0.6
469.31885	0.9
479.21310	0.5
497.21732	0.4
555.01465	0.4
566.33112	37.1
567.33411	5.8
578.33630	0.5
596.34143	2.5
615.37939	0.5
641.25494	0.4
641.35925	0.4
659.22015	1.1
659.36768	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86315	0.5
59.01388	10.9
61.98816	2.3
69.03452	0.8
69.61429	3.2
71.01381	5.0
83.01400	3.6
84.25562	0.7
85.02937	0.8
89.02458	4.2
93.03491	1.5
95.01395	3.2
95.04972	0.7
97.02941	2.3
101.02438	2.5
108.02175	1.8
109.02959	9.9
111.04552	1.4
113.02450	1.7
117.59493	0.6
119.03434	1.1
121.02940	2.4
123.00909	3.0
124.01678	5.9
125.01622	1.1
125.02459	15.5
135.04507	0.9
136.01654	1.8
137.02457	14.9
138.03253	20.2
139.04039	8.2
140.84464	0.6
149.02560	0.8
149.06126	1.5
150.03198	2.1
151.04007	1.9
151.69379	0.6
159.04514	1.2
161.02452	2.2
163.00368	1.2
163.04016	1.3
164.01157	5.7
165.01949	21.6
166.02475	1.1
167.03464	4.6
168.68900	0.6
170.02202	2.0
175.03947	3.3
177.01912	4.2
177.05586	3.9
178.02632	1.8
179.03497	4.6
190.02547	0.7
191.03542	0.8
203.03479	2.5
204.04178	2.0
205.05110	1.4
211.98825	0.7
213.77441	0.6
217.05156	0.9
218.05750	1.1
219.06592	6.4
221.04520	9.1
245.04521	1.0
245.08192	0.7
260.06833	0.9
289.07071	1.5
339.15823	1.7
361.27502	0.6
373.77835	0.7
435.21780	2.2
442.94968	0.7
479.22610	4.7
491.22729	4.1
519.22473	3.2
533.23779	3.0
615.28027	2.6
659.27087	100.0
660.27448	21.4
660.39026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01375	1.2
59.33017	0.4
61.98824	5.1
63.78426	0.4
69.03461	0.9
69.60415	1.4
69.60844	1.6
71.01376	1.2
72.99288	0.6
73.63342	0.4
81.03459	2.4
83.01379	2.8
88.98772	0.5
89.02445	0.9
93.03459	1.5
95.01376	0.9
95.05030	2.3
97.02953	6.5
98.20540	1.1
99.04532	0.5
101.02453	0.9
108.02195	1.1
109.02956	19.4
109.06628	0.5
110.03310	0.6
111.04578	0.4
113.02376	0.6
119.03513	0.5
121.02949	3.6
122.03789	0.8
122.27720	0.5
123.00867	0.5
123.04524	13.2
124.04910	0.5
125.02451	16.0
135.04488	2.2
137.02443	13.3
138.03140	0.7
139.04013	4.2
145.02922	1.4
146.03717	1.6
147.04514	0.5
149.02437	4.3
150.03198	0.9
151.04008	9.3
152.01155	0.4
152.04369	0.4
157.06644	0.6
159.04549	3.4
160.05263	1.4
161.02408	1.7
161.06088	5.7
162.03220	1.7
163.04004	2.3
164.01149	3.6
165.01968	5.1
166.02672	0.6
167.03502	3.1
173.06029	0.7
174.03200	0.9
175.04021	2.5
175.07658	2.2
177.05550	0.6
179.03496	7.0
185.06046	0.9
187.04008	5.2
188.04761	4.3
190.02742	0.5
194.56664	0.5
199.07706	1.0
201.05551	1.1
202.06293	2.6
203.07124	15.7
204.07520	1.3
205.05043	10.8
206.05551	0.8
206.74629	0.5
212.04745	0.9
217.08684	0.7
221.08241	2.8
226.28773	0.6
227.07127	2.7
230.05864	1.0
231.02979	0.7
245.08182	19.6
246.08545	1.5
247.06157	1.1
270.82938	0.5
271.06125	0.8
281.88223	0.5
289.07175	100.0
290.07538	7.4
315.08820	1.6
324.80795	0.4
361.16760	1.2
435.21457	0.6
479.20673	8.6
480.20941	1.0
507.22336	0.8
559.63092	0.5
596.16211	0.5
659.27124	26.5
660.27179	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	659.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
65.51509	0.4
71.01376	1.4
71.38511	0.5
73.02959	0.5
79.59509	0.3
85.02947	1.1
93.03458	49.2
94.03799	1.5
94.05360	0.3
101.02432	0.8
105.16451	0.4
113.02503	0.6
119.38997	0.3
125.02415	1.2
133.65327	0.4
137.02443	100.0
138.02763	3.0
161.04514	0.5
189.92230	0.3
206.48224	0.3
258.80673	0.4
299.07715	15.7
299.14990	1.3
300.08273	0.9
333.66272	0.4
448.74847	0.4
528.69458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55116	0.4
51.98610	0.4
57.03452	0.5
59.01379	8.7
61.98819	1.6
69.03446	0.8
71.01377	5.3
72.06949	0.4
72.99290	0.6
77.49556	0.4
81.03442	0.8
83.01390	2.2
85.02947	1.7
88.98798	0.6
89.02446	3.7
93.03469	1.6
95.01394	2.7
95.05067	0.5
97.02950	3.5
99.00859	0.5
101.02444	3.5
107.05015	0.5
108.02176	2.3
109.02955	8.9
111.04509	2.2
113.02451	1.9
119.03504	0.5
121.02995	2.8
123.00906	4.1
123.04515	1.1
124.01659	6.6
125.02442	15.9
133.02888	0.7
135.04524	0.7
136.01633	1.5
137.02443	17.3
137.03490	1.0
138.03233	18.7
139.04027	8.3
140.01141	0.8
147.04526	0.8
149.02420	1.4
149.06067	1.7
150.03212	1.4
151.04045	2.1
152.01129	0.8
159.04483	1.6
161.02483	2.0
162.03189	0.9
163.03926	1.0
164.01157	6.2
164.04778	0.5
165.01923	23.5
166.02577	1.4
167.03487	6.1
168.00580	0.6
170.02216	2.7
175.04016	3.8
176.04796	1.0
177.01935	3.9
177.05536	4.2
178.02650	2.2
179.03494	4.3
189.05569	0.9
190.02855	0.6
191.03583	0.8
191.07074	0.6
193.04985	0.9
201.05531	0.9
203.03500	3.5
204.04347	2.5
205.05002	1.0
217.05106	0.9
218.05795	1.1
219.03284	0.5
219.06622	7.6
221.04555	8.2
229.69670	0.5
229.71887	0.5
242.05807	0.5
247.02359	1.0
260.06763	0.7
263.05573	1.0
304.05811	0.8
339.15961	1.7
435.21652	2.0
479.22748	3.0
480.23038	0.6
491.22858	4.3
492.23825	0.6
497.15698	0.6
519.22382	3.6
521.23608	0.9
533.23901	3.3
615.27997	2.2
659.27142	100.0
660.27545	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	658.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77767	0.1
53.13538	0.2
57.03450	0.3
59.01373	0.7
61.98832	100.0
69.39222	1.0
69.39629	0.3
71.01380	0.8
73.02945	0.2
75.00880	0.2
75.83681	0.1
83.01400	0.2
85.02962	0.3
88.98823	0.2
89.02456	0.5
93.03484	0.5
94.98079	0.2
95.01416	0.2
95.41166	0.2
96.96001	0.4
97.02959	0.2
99.04533	0.2
101.02437	1.5
107.59617	0.1
109.02979	0.8
121.02908	0.2
122.03808	0.2
123.04524	0.5
124.01680	0.3
125.02463	1.0
131.03487	0.3
136.01755	0.2
137.02446	1.4
137.09735	0.2
139.04030	0.3
149.02403	0.4
149.99620	0.2
151.04015	0.3
152.01144	0.2
153.01935	0.2
155.10771	0.2
161.02460	0.3
163.04048	0.2
164.01176	0.2
165.01930	0.8
165.05583	0.2
166.02646	0.3
167.03551	0.4
168.00641	0.2
177.01936	0.2
179.03510	0.3
180.04265	0.3
181.05154	0.3
193.08162	0.2
195.06642	0.4
203.07144	0.3
205.05128	0.4
215.12909	0.1
221.08240	0.2
229.14462	0.3
233.08217	0.2
245.08237	0.2
251.09265	0.2
267.08719	0.5
285.04047	0.3
289.07187	1.4
355.24796	1.3
371.25049	0.2
373.25912	6.2
374.26291	0.7
387.27420	0.2
415.26947	0.9
433.14886	0.2
477.17999	0.3
478.19339	0.2
479.20651	0.5
496.21152	0.2
658.34717	0.2
659.26752	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	658.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58764	0.2
59.01382	0.6
61.98837	100.0
62.98527	0.2
69.31074	0.7
69.31503	0.8
71.01389	0.5
82.44369	0.2
83.01412	0.3
89.02456	0.3
96.96035	0.2
97.02970	0.2
101.02451	0.9
108.02261	0.2
109.02976	0.5
110.11146	0.2
113.02454	0.3
121.02957	0.3
123.04556	0.6
125.02467	0.7
127.99918	0.1
129.70076	0.2
131.03546	0.5
135.04559	0.2
136.99323	0.2
137.02480	1.0
149.02499	0.3
151.04013	0.3
151.64001	0.2
155.10811	0.2
161.02464	0.2
164.01160	0.2
165.00742	0.2
165.01932	1.1
175.04021	0.2
177.01921	0.3
179.03552	0.3
187.04071	0.2
191.03535	0.2
203.07214	0.3
203.59485	0.2
205.05107	0.4
210.99138	0.2
229.14418	0.2
245.08330	0.3
281.91690	0.2
286.82358	0.2
289.07245	1.6
292.42615	0.2
337.24106	0.2
355.24774	1.6
373.25967	6.6
374.26413	0.7
387.27548	0.4
415.27124	1.1
433.14993	0.2
479.20950	0.4
496.20346	0.2
497.22507	0.2
641.24103	0.2
658.26147	0.6
659.27271	2.5
659.37701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56281	1.1
61.77403	1.2
61.98837	11.1
68.20336	1.4
69.36214	11.7
74.99110	6.0
75.64482	1.1
76.36360	1.1
92.48192	1.1
95.72913	1.3
97.07775	1.3
101.09187	1.3
119.69775	1.3
136.99139	9.3
137.02386	1.9
140.93166	1.2
151.00317	3.0
172.97031	1.4
177.02032	1.4
188.80470	1.3
199.04010	2.8
227.03511	2.9
242.02156	2.2
243.02968	17.2
244.03592	1.7
248.69704	1.6
255.03020	13.0
257.04596	2.9
267.16104	1.6
270.01666	2.3
271.02484	28.2
272.02957	3.9
285.04047	4.5
286.04614	2.4
287.05844	1.8
299.02002	30.3
300.02750	28.9
301.03152	2.3
314.04330	36.7
315.05093	69.0
316.05426	5.0
605.07190	1.4
623.16168	100.0
624.16504	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81237	0.6
52.29210	0.7
55.20463	0.5
57.03436	1.6
59.01379	4.8
61.98833	54.2
63.36513	0.5
63.80721	0.6
64.60316	0.6
71.01382	3.2
83.01405	1.1
83.05025	0.9
85.02915	1.3
85.61377	0.6
88.98805	1.7
89.02432	2.1
93.03452	0.7
96.96001	1.2
99.04488	0.9
101.02437	2.3
107.04982	1.0
108.02187	0.7
109.02966	1.7
111.04505	1.3
113.02449	1.9
116.32422	0.6
116.92843	1.0
117.03479	1.0
118.03760	0.7
118.22266	0.8
119.03436	0.7
121.02895	1.0
121.06573	2.8
122.03753	1.8
123.00880	1.0
123.04565	1.1
123.08189	1.8
124.01662	1.1
125.02475	2.9
135.04517	2.1
135.08109	0.9
136.05299	41.8
137.02431	3.0
137.05687	2.1
138.03201	1.0
139.04033	0.7
147.08208	1.5
148.05309	1.1
149.02432	1.2
149.06099	5.7
150.03221	1.4
150.06877	6.4
151.03986	1.1
152.01128	1.0
161.02452	1.7
161.04486	0.7
162.06895	1.4
163.07591	1.3
164.04778	1.2
164.08397	2.7
165.01920	1.7
165.05524	1.1
165.09212	46.6
166.09546	2.4
167.03561	0.7
168.00659	1.5
179.10741	1.3
183.13829	1.1
185.11888	0.8
191.05579	0.6
209.11850	12.4
211.13391	9.3
227.12901	1.4
253.09348	0.9
255.02959	1.2
269.04538	0.9
284.03412	1.0
285.04025	4.5
286.04425	3.3
287.05273	0.8
311.22153	1.6
327.21640	0.8
329.19400	1.4
329.23315	29.1
330.23648	2.9
373.25739	0.7
431.09811	1.7
432.10144	2.2
449.32593	1.9
477.32294	8.8
478.32712	1.3
494.31998	3.6
495.33203	35.5
496.33487	5.4
509.35007	1.0
537.34167	1.5
594.13306	2.7
595.31946	0.8
602.84851	0.7
657.38586	100.0
658.39001	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15385	0.8
57.03450	3.4
59.01371	2.6
59.85540	0.5
61.98833	6.6
71.05001	0.7
71.64328	0.8
78.95911	8.0
83.05024	0.9
84.35188	0.7
86.58031	0.6
95.05041	1.3
96.96967	1.0
97.06594	10.8
103.10698	0.7
123.08185	5.4
125.09731	56.5
126.10059	2.0
127.11282	2.5
143.10786	2.2
152.99600	5.8
155.10788	1.7
157.12399	1.0
169.08629	1.4
171.10233	1.2
173.11832	20.7
174.12033	0.9
187.09763	21.7
192.12242	0.6
241.01175	0.9
255.23239	0.9
256.23660	1.4
277.21698	1.9
295.22733	1.8
313.23837	7.0
329.23282	0.7
331.24869	12.0
343.21024	1.5
403.40466	0.7
435.24911	1.3
465.32047	0.8
483.33594	1.1
487.36533	4.8
501.34439	1.9
535.31451	0.7
572.29126	3.2
573.29846	0.8
639.32764	0.8
639.44305	1.3
657.45825	100.0
658.46161	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	656.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98835	100.0
62.98602	0.4
65.56893	0.4
68.17420	0.4
78.95901	0.7
97.25732	0.4
118.16985	0.5
122.19213	0.4
124.14011	0.4
172.35721	0.4
204.74374	0.5
268.98813	0.4
277.39355	0.4
353.30923	0.4
359.30185	0.4
656.45013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96111	0.8
57.03436	2.1
59.01380	5.1
61.98832	22.8
71.01382	4.3
71.62440	0.7
71.62872	1.1
72.99296	1.0
77.79783	0.7
83.01414	0.7
83.05003	2.1
85.02956	2.1
87.00867	1.5
88.98800	1.4
89.02460	3.9
96.96002	1.0
99.04543	1.1
101.02426	2.4
103.08980	0.7
109.02956	1.9
113.02433	2.0
116.92844	1.2
119.03459	0.9
119.04982	1.5
121.06622	1.5
122.03788	1.3
123.04542	0.9
125.02455	3.5
135.04483	2.6
135.08124	0.8
136.05301	35.9
137.02414	2.7
137.05939	1.0
137.09717	0.8
147.08203	1.3
148.05254	0.9
149.02455	1.4
149.06076	9.0
150.06880	8.5
151.00391	0.9
151.03989	1.2
151.07677	1.0
153.01915	0.7
155.10663	0.7
161.02432	1.0
162.06844	3.2
163.07594	2.4
163.11363	1.3
164.08429	5.1
165.01970	1.6
165.09210	14.5
169.87567	0.8
179.10706	2.2
182.01877	0.7
183.13824	1.9
185.11800	1.1
205.08662	1.0
205.12274	4.6
209.11823	22.0
210.12137	1.4
211.13394	31.1
212.13829	1.7
227.12790	3.6
249.11400	5.6
249.15118	1.2
253.09245	2.6
257.24387	0.8
259.06067	1.2
265.31580	0.8
287.05652	0.9
289.07196	1.7
299.11328	5.5
315.21744	0.9
329.23291	7.0
357.26385	1.3
373.26004	1.0
375.27509	22.6
376.27698	3.6
434.30054	4.2
449.32697	15.1
450.33136	1.7
477.32227	2.8
478.32874	0.9
494.32449	1.5
495.21555	1.0
495.33203	28.5
496.33459	4.2
657.38544	100.0
658.28113	1.4
658.38910	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	656.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98835	100.0
62.98565	0.2
67.29354	0.1
69.35548	0.9
69.35966	0.5
71.01399	0.4
72.39374	0.2
86.67597	0.2
88.98817	0.3
89.02485	0.2
95.18722	0.2
96.96042	0.2
101.02495	0.2
104.01661	0.2
137.02507	0.3
138.03224	0.2
149.02415	0.2
165.01923	0.3
185.39091	0.2
190.02754	0.5
205.05154	0.4
223.06207	0.2
231.63593	0.2
255.16318	0.2
279.84061	0.2
296.09290	0.2
593.25897	0.8
657.25043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43348	0.1
57.03470	0.2
59.01375	0.9
61.98832	100.0
62.98540	0.2
69.03440	0.2
70.06197	0.1
71.01385	0.6
71.64960	0.1
72.99336	0.3
73.02934	0.1
74.80724	0.1
83.01405	0.2
85.02969	0.3
88.98834	0.5
89.02440	0.3
93.03483	0.3
97.03001	0.2
101.02420	0.7
102.32813	0.1
109.02961	0.4
113.02411	0.3
116.92863	0.2
121.02935	0.2
123.04532	0.5
123.56525	0.1
125.02466	0.9
137.02422	1.0
149.02397	0.3
151.04008	0.5
151.07687	0.2
153.02000	0.2
159.04489	0.2
161.02464	0.2
161.04550	0.2
161.06064	0.2
163.04001	0.2
165.01952	0.3
165.05548	0.2
165.09190	0.2
167.03482	0.2
190.02695	0.3
203.07182	0.2
205.05077	0.6
205.08707	0.1
223.06189	0.2
239.82581	0.1
245.08258	0.3
260.71298	0.2
267.10867	0.2
285.04068	0.4
289.07178	1.2
355.15851	0.1
371.24265	0.6
375.27289	0.2
406.03738	0.1
495.33197	0.5
593.26294	0.6
648.37952	0.2
657.23431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11987	0.2
57.03440	0.2
57.99014	0.2
58.16459	0.2
58.52839	0.2
59.01374	0.7
61.98831	100.0
65.18717	0.2
71.01392	0.5
73.02951	0.4
76.95236	0.2
83.01467	0.2
88.98810	0.5
89.02447	0.2
93.03493	0.3
96.31007	0.2
101.02486	0.8
108.02164	0.2
109.02993	0.4
113.02419	0.2
116.92843	0.2
123.04510	0.3
125.02446	0.5
131.03522	0.5
137.02475	0.5
150.03281	0.2
151.03989	0.2
155.10828	0.3
164.01135	0.3
165.05580	0.2
289.07202	0.2
302.42233	0.2
353.23346	2.4
354.23602	0.2
371.24374	8.0
372.24860	0.7
375.27591	0.4
376.27948	0.5
385.26508	0.2
413.25455	1.5
657.25696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
57.70041	0.2
59.01370	0.4
61.98833	100.0
64.05071	0.2
69.50529	2.0
71.01416	0.3
75.00887	0.2
101.02478	0.4
105.01916	0.3
109.02982	0.9
112.03747	0.2
123.04543	0.8
124.59142	0.2
125.02454	3.1
131.03590	0.3
133.02946	0.3
137.02481	0.9
139.04034	0.3
149.02440	0.3
150.03284	0.3
151.04013	1.9
152.37096	0.3
161.02496	1.0
161.06122	0.3
163.00385	0.5
165.01984	0.4
177.01936	0.4
187.04086	0.3
203.07243	0.3
227.03554	0.5
229.05159	0.4
243.03011	0.5
245.04608	0.5
245.08130	0.4
255.02991	3.0
269.04391	0.6
281.04623	0.3
283.02481	7.1
283.05405	0.5
284.03174	0.8
285.04059	12.8
286.04526	1.0
287.05609	0.3
289.07169	2.0
313.08679	0.3
327.05341	0.5
423.07376	0.5
431.09830	1.2
446.08398	1.4
447.09430	2.1
451.10315	0.4
593.15100	12.6
594.15668	1.5
657.21545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	23.9
66.20895	0.6
69.95002	3.2
72.55283	0.6
74.23804	0.7
85.55663	0.8
93.03436	1.0
98.20580	0.8
107.01386	2.0
125.02444	1.1
135.00842	1.2
151.00340	2.0
153.01906	0.8
163.00363	2.0
185.06099	1.6
187.03983	1.6
199.03931	0.7
212.05000	0.6
213.05560	0.8
227.03482	19.4
228.03947	1.5
229.05064	7.5
239.03537	1.2
241.05125	1.5
255.02972	34.4
256.03528	4.5
257.04608	5.2
276.19885	0.8
284.03250	50.8
285.04010	71.4
286.04422	4.8
448.51886	0.8
582.88177	1.1
593.15088	100.0
594.15430	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	656.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84691	0.5
54.42530	0.5
59.01380	0.9
61.98836	25.8
68.44180	0.5
69.32304	5.3
83.01401	0.5
89.12434	0.6
93.03458	0.9
98.20654	1.1
107.01407	1.9
109.02976	0.7
110.16282	0.6
125.02486	1.2
135.00909	1.6
137.02483	0.7
143.04984	0.6
151.00371	1.7
159.04559	0.7
163.00377	2.2
165.01892	0.7
165.05577	0.7
171.04474	1.0
172.72644	0.5
182.03751	0.5
185.06093	2.1
187.04016	2.1
195.04573	0.8
197.06079	1.4
199.04005	0.7
211.04066	2.2
213.05571	1.7
227.03525	20.9
228.03937	1.9
229.05067	9.1
239.03627	1.2
241.04980	1.2
255.03004	39.6
256.03662	4.9
257.04608	5.3
267.16010	2.6
283.02438	0.7
284.03278	55.0
285.04044	74.1
286.04449	4.9
305.06586	0.7
548.50702	0.6
593.15143	100.0
594.15552	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	655.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.9
60.08626	0.5
62.26143	0.5
63.44692	0.5
63.46639	0.5
71.01376	2.5
73.02924	0.9
73.70044	0.6
75.11538	0.6
81.03480	1.2
85.02936	1.9
85.79209	0.5
89.02471	0.6
93.76862	0.6
95.01378	1.8
101.02430	0.9
108.02177	55.2
109.02980	16.2
110.03300	0.9
113.02445	0.6
121.02934	0.7
123.00860	1.1
123.04520	0.9
125.02450	1.3
144.04568	0.6
151.03992	1.2
152.01152	50.1
153.01949	19.9
154.02321	1.0
163.04048	0.8
165.01924	1.7
185.63963	0.6
199.38620	0.6
315.07214	100.0
316.07590	7.2
316.75793	0.7
354.82889	0.6
655.16425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98831	58.6
63.02417	0.7
65.00320	0.8
65.04513	0.6
67.86085	0.6
69.28901	7.0
71.01363	3.0
72.99332	0.7
74.92977	0.6
83.01388	1.1
85.02951	1.3
88.98791	1.9
89.02457	0.9
93.03460	1.4
98.19894	1.6
101.02430	1.4
105.01945	1.3
107.01380	3.0
107.04999	0.7
108.02167	1.9
109.02933	2.8
111.00872	0.6
113.02437	0.8
117.03475	1.8
119.05007	2.1
121.02939	2.0
121.06572	0.7
123.04525	1.8
123.08170	0.8
125.02425	1.8
125.90108	0.8
133.03004	3.5
134.03806	0.9
135.04526	17.8
136.05301	1.4
137.02432	2.3
145.02914	2.5
145.55673	0.8
148.05252	1.1
149.02495	0.8
150.06895	1.3
151.00371	10.5
159.04465	1.1
161.02449	14.1
161.04512	0.7
163.00346	2.6
163.03949	1.6
164.01213	0.9
164.04877	0.8
165.02016	0.8
165.05637	0.9
165.09186	1.5
167.07112	1.1
178.99942	4.3
179.03499	11.3
179.10722	1.0
181.05186	0.6
185.06122	1.3
187.04010	0.9
199.03906	1.1
205.05055	0.8
209.11804	1.4
211.03987	1.6
211.13274	1.0
227.03464	5.8
229.05049	4.5
239.03458	1.0
240.04112	0.8
241.04942	0.8
243.02927	5.0
244.03389	0.7
245.04587	1.2
254.02327	0.8
255.02975	21.5
256.03522	2.7
257.04547	2.4
271.02481	27.1
272.02957	2.0
273.03870	0.8
283.02383	0.8
284.03241	10.3
285.04028	31.9
286.04459	2.8
299.01968	2.0
300.02731	48.3
301.03464	31.2
302.03879	1.9
303.01038	0.7
307.08221	2.3
312.12436	1.6
329.23157	1.1
373.25769	1.9
431.09943	3.7
447.09323	15.2
448.09583	2.8
593.12988	100.0
594.13251	16.9
595.36682	0.8
639.26733	0.8
655.37128	3.2
656.26648	1.2
656.37085	2.4
657.36963	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	654.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72878	0.9
59.01382	1.9
61.98834	100.0
78.95913	3.7
84.79578	0.8
98.20718	2.3
154.55231	0.8
207.66919	1.0
230.53867	1.2
255.23358	1.5
348.23688	1.0
504.76230	1.0
654.44733	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	654.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52263	0.8
59.01371	0.9
61.98832	100.0
64.06522	0.6
71.63348	0.5
71.63771	0.7
77.64577	0.5
78.95905	34.5
113.02491	0.6
125.61327	0.7
134.03786	0.7
144.76646	0.7
149.00116	2.0
150.96837	0.6
165.49858	0.7
218.66664	0.6
242.80090	0.7
255.10361	1.6
285.12558	0.7
304.12003	0.7
360.85654	0.7
448.13919	0.8
533.28394	0.8
654.30450	18.0
654.41150	0.9
655.31287	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	654.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
61.98833	100.0
63.23848	0.6
66.10396	0.6
78.95905	50.5
84.11784	0.6
86.87986	0.6
113.88264	0.6
149.00099	2.0
149.22623	0.6
173.25549	0.6
181.08440	0.7
285.12518	1.2
319.23010	0.7
399.09903	0.7
447.13763	0.9
448.13425	2.0
458.73480	0.7
510.17261	0.7
579.97559	0.7
654.30463	31.6
654.41638	1.4
655.30664	3.0
655.45905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17687	0.6
51.53749	0.6
52.37712	0.6
53.19680	0.6
56.33898	0.7
61.98831	100.0
70.90699	1.3
78.95932	0.7
106.44518	0.8
140.33760	0.7
152.99467	0.8
161.00255	0.6
161.24460	0.7
172.07825	0.6
285.18109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03450	0.9
58.00603	2.0
59.01384	41.4
60.01718	0.3
61.98832	0.6
68.99819	0.4
69.03461	2.2
71.01385	36.9
71.63323	0.4
72.01735	0.5
72.99309	2.7
73.02950	5.9
75.00893	0.5
81.03460	1.7
83.01393	5.1
83.04990	0.2
85.02953	8.0
86.00117	0.3
87.00882	9.5
89.02448	34.9
90.02758	0.4
91.04013	0.7
93.03455	0.7
95.01379	2.5
95.04977	0.3
97.02958	7.1
99.00890	2.5
99.04531	0.6
101.02448	30.8
102.02769	0.3
103.00351	0.4
103.04047	0.3
105.19598	0.3
105.73340	0.2
108.02246	0.2
109.02985	0.5
111.00869	0.7
111.04523	1.1
113.02450	14.7
115.04056	0.8
119.03503	10.0
121.02975	0.7
122.55515	0.2
123.00912	0.3
124.01688	0.4
125.02451	12.8
127.04051	0.5
129.01942	0.5
131.03500	1.8
133.05069	1.1
137.02457	0.4
139.03999	0.9
141.01941	0.9
143.03502	6.3
144.03874	0.3
149.02507	0.3
149.04541	1.2
149.94516	0.3
161.04565	7.1
162.04869	0.3
167.03517	0.8
169.05078	0.5
171.03033	0.4
179.05614	6.9
185.04553	0.7
199.06125	0.5
203.05655	0.4
217.07181	1.0
219.05075	0.6
221.06656	2.6
228.43613	0.3
235.08221	14.8
236.08627	0.9
237.22377	0.3
245.06683	0.9
253.09314	3.9
255.23293	100.0
256.23636	8.1
263.07779	1.5
269.24878	0.5
277.09399	1.1
286.07797	0.2
287.07724	3.9
305.08774	3.9
306.08936	0.3
323.09869	2.2
361.11411	0.6
379.12387	1.1
397.13501	85.0
398.13834	7.1
415.14575	30.4
416.14905	3.4
543.01593	0.3
653.38220	0.3
654.37482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69089	0.4
52.33601	0.4
55.01880	1.6
57.03439	1.5
58.00589	1.8
59.01382	40.9
61.98820	1.9
68.45316	0.4
69.03445	1.8
70.95291	0.9
71.01385	34.8
72.99322	2.5
73.02955	5.5
75.00870	0.9
81.03458	1.5
83.01405	3.8
85.02951	7.5
87.00880	8.5
89.02448	33.8
90.02789	0.5
91.04000	0.7
95.01390	2.9
95.05008	0.4
96.06241	0.3
97.02961	7.1
98.19975	0.4
99.00885	1.9
99.04507	0.6
101.02448	29.4
102.02784	0.6
103.03989	0.6
107.03500	0.4
109.02910	0.5
111.00900	0.9
111.04512	1.3
113.02453	14.9
115.04026	0.6
119.03506	10.6
121.02990	0.8
125.02451	13.4
127.04007	0.6
128.54439	0.4
129.02002	0.5
131.03497	2.0
133.05066	1.2
139.04016	0.7
141.01961	0.5
143.03510	6.3
149.04520	1.1
157.05005	0.5
161.04550	7.1
167.03461	1.1
169.04991	0.5
179.05643	6.8
185.04509	0.8
199.06076	0.8
203.05536	0.5
209.73338	0.4
217.07144	1.3
219.05032	0.6
221.06674	2.1
233.15439	0.4
235.08220	14.5
236.08514	0.6
245.06549	0.7
253.09299	3.6
255.23289	100.0
256.23608	7.0
261.78915	0.4
263.07706	1.6
269.24863	0.8
277.09323	1.1
287.07748	3.4
305.08771	4.0
323.09854	1.5
357.11453	0.5
361.11377	0.7
379.12338	1.1
397.13501	85.8
398.13809	7.6
415.14566	36.6
415.20313	0.7
416.14862	2.8
417.14944	0.6
485.42087	0.5
653.42682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93953	0.4
61.98815	0.6
62.96415	0.8
71.36532	0.6
78.95905	100.0
96.96977	0.6
99.97016	0.4
130.12601	0.3
144.21315	0.3
149.00102	4.8
151.46873	0.3
152.99609	0.9
171.10292	0.4
179.01108	0.8
205.16039	2.1
255.23265	1.4
285.12643	3.5
355.16629	2.5
356.16580	0.4
385.17838	1.0
417.12360	0.3
447.13440	5.6
448.13623	0.5
476.61957	0.3
653.30084	57.8
654.30432	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	650.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31905	0.3
59.01376	1.3
60.99293	0.3
61.98830	100.0
70.93800	0.9
71.01380	1.2
72.99329	0.4
73.02942	0.4
78.15324	0.3
78.95902	0.3
83.01443	0.3
83.05042	0.4
85.02945	0.5
87.00890	0.3
88.98830	2.2
89.02453	0.5
96.96006	0.4
99.00920	0.3
101.02459	0.8
109.02979	0.5
113.02442	0.4
116.92912	0.7
125.02458	0.6
137.02466	0.6
141.09236	0.7
151.03958	0.4
161.72232	0.3
162.05632	0.3
175.04024	0.3
285.04153	0.4
289.07397	0.3
375.27451	0.6
455.82187	0.4
502.16254	0.3
519.33636	0.3
561.50262	0.3
625.95007	0.4
631.39459	0.4
651.35895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65940	0.9
59.01088	1.8
59.01382	28.3
61.98824	3.3
67.09875	0.9
69.45076	3.3
69.45506	4.6
71.01387	10.7
72.99296	0.9
73.02932	2.9
75.64719	0.8
78.95895	3.5
85.02940	2.7
89.02441	5.6
92.95105	0.9
98.19900	1.6
99.00893	0.9
101.02428	4.3
113.02458	7.9
119.03484	1.8
125.81528	0.8
134.03758	9.3
149.06100	11.1
152.99596	2.6
205.26688	1.0
263.23651	1.1
277.21616	1.2
278.96091	1.0
279.23297	100.0
280.23688	8.9
293.24847	10.9
294.25223	1.9
311.11362	8.7
321.24313	3.4
329.12509	2.7
451.00427	1.2
597.87598	1.1
651.43018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30395	0.4
57.97275	0.4
59.01383	100.0
60.01735	0.5
61.98836	10.6
68.76791	0.4
71.01392	1.0
77.68394	0.4
78.95918	1.9
88.20822	0.4
89.02448	0.5
94.89558	0.4
119.03555	0.5
152.99620	1.5
162.75885	0.4
273.22003	0.5
277.21729	23.0
278.22141	1.8
279.23294	1.5
291.23495	0.4
301.21851	0.5
317.21204	0.5
333.20667	0.5
376.28275	0.5
465.54584	0.5
651.42773	3.7
652.43158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15574	0.1
59.01379	0.6
61.98830	100.0
71.01392	0.2
71.63111	0.2
77.73290	0.2
78.95937	0.2
102.53453	0.2
113.26317	0.1
190.40683	0.2
242.59399	0.2
277.21899	0.7
278.22177	0.6
279.22302	0.3
401.46255	0.2
680.34216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66043	0.2
57.03441	0.3
59.01385	2.0
60.99313	15.1
61.98837	7.1
64.19291	0.2
69.14519	0.3
69.45547	0.2
69.46210	0.2
71.01392	1.9
71.63273	0.4
72.99335	0.4
73.02941	0.5
83.01373	0.2
85.02982	0.6
88.98816	100.0
89.02451	1.2
89.99153	0.7
96.96033	0.2
97.02965	0.3
101.02451	1.0
103.69814	0.2
107.05080	0.4
109.02992	0.7
111.00871	0.3
113.02454	0.9
116.92885	0.9
119.03523	0.4
119.63680	0.2
121.02978	0.6
123.04523	0.6
123.08207	0.2
125.02443	0.8
135.04538	0.3
137.02477	1.2
138.03157	0.3
145.02855	0.3
149.04628	0.3
151.04019	0.7
161.02460	0.3
161.04616	0.5
165.01967	0.4
167.03558	0.3
179.03638	0.3
187.04071	0.3
209.04533	0.3
220.06857	0.3
241.05104	0.4
263.12936	0.9
269.04828	0.3
280.54361	0.2
285.81662	0.2
289.07300	0.3
290.07706	0.4
297.11987	2.4
313.61444	0.3
373.25998	4.6
521.33881	0.3
563.12006	1.4
617.32208	0.6
653.26245	0.5
653.37109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.7
57.03448	2.2
59.01388	13.2
61.98836	64.0
69.03452	2.4
70.92368	1.2
70.92684	0.8
71.01389	21.2
71.05025	5.0
72.99310	1.6
73.02953	14.4
75.00884	1.2
78.95934	0.9
80.03596	0.6
83.01395	3.8
83.05037	14.3
85.02956	10.2
85.06596	3.1
87.00869	1.8
87.88400	0.8
88.98813	2.3
89.02454	8.0
93.03481	0.8
95.01410	2.0
96.96016	3.4
97.02925	0.7
98.24046	0.7
99.00900	2.6
99.04524	1.8
100.68257	0.8
101.02453	15.2
101.06092	8.5
107.05044	0.9
111.00891	1.9
111.04528	17.6
113.02454	10.1
113.09742	5.5
116.92850	2.8
119.03504	2.6
121.02971	2.8
123.04543	1.1
123.08184	2.3
125.02437	2.6
125.06059	1.5
127.04021	13.5
132.03033	0.8
136.73108	0.8
137.02441	1.5
139.04054	1.2
141.09230	100.0
142.09561	2.9
143.03514	2.3
145.02936	1.2
159.03026	2.2
160.04094	1.5
161.04565	12.6
161.05873	1.4
167.07104	4.6
177.09145	0.8
179.05617	0.9
185.15422	0.8
221.08171	8.4
225.71909	0.9
285.04022	2.5
287.35233	0.8
355.28827	1.3
365.14523	2.8
375.27490	1.5
461.31183	13.7
462.31754	1.6
513.16388	4.3
515.00952	0.8
517.33826	53.5
518.34149	7.6
519.35242	1.6
547.34760	1.0
580.34918	1.4
585.40106	2.6
603.41199	11.0
604.41437	2.2
629.39069	34.1
630.39410	6.0
647.30139	1.4
647.40485	15.1
648.40387	2.5
677.88824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40442	0.2
52.78594	0.2
59.01389	0.5
61.98834	100.0
69.65345	0.2
71.01389	0.4
71.11903	0.3
71.12260	0.2
73.02965	0.2
78.95913	0.4
87.72923	0.2
101.02416	0.2
116.92886	0.6
125.02468	0.3
127.03819	0.2
189.47597	0.2
285.04111	0.2
423.18033	0.3
489.49677	0.2
649.28528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16966	0.7
53.99355	0.7
59.01384	100.0
60.01696	0.7
61.98840	12.9
71.01374	1.2
115.19885	0.8
121.03003	1.3
122.03740	2.1
152.04799	17.7
153.05183	0.9
167.07135	32.6
168.07481	0.8
276.09006	0.9
277.21689	4.8
331.19104	1.0
623.34045	0.7
649.41528	4.5
650.41516	0.9
655.93311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
61.98831	33.0
69.60562	2.1
69.60968	5.5
71.01379	4.2
72.99343	1.5
73.02925	1.9
83.01363	1.4
83.05053	1.2
85.02964	1.6
87.00825	1.3
88.98825	2.0
89.02451	3.7
93.03462	1.4
96.95986	2.1
96.97007	1.3
101.02426	2.9
109.02974	6.0
116.92844	2.4
117.01926	3.1
121.03027	1.1
123.00901	2.4
123.04577	2.3
124.01651	2.8
125.02461	7.4
131.53792	1.1
135.04543	2.4
135.08170	2.9
136.01630	1.7
137.02440	35.9
138.03162	3.3
139.04024	3.7
148.01692	1.8
149.02397	4.2
151.00481	1.1
151.04005	7.7
152.04765	2.1
153.01965	1.7
153.05573	1.7
161.02397	1.9
162.03229	2.6
163.00388	1.5
163.04001	4.7
164.01123	2.9
164.04849	6.5
165.01926	100.0
166.02451	4.5
168.00659	1.5
175.04008	3.0
176.04753	3.2
177.01976	3.1
177.05545	3.9
179.03490	22.4
179.07118	7.0
180.04279	59.7
181.05006	10.1
184.03784	1.2
190.02678	1.2
192.04266	3.1
193.05000	1.1
194.05823	10.1
195.02962	2.9
195.06621	88.0
196.06972	2.4
201.11339	4.5
205.04887	1.4
207.06635	3.9
209.08192	9.3
209.11864	4.5
210.05327	12.6
211.05833	1.1
225.07683	58.0
226.07996	2.6
243.77673	1.0
253.09274	1.2
271.09857	1.3
289.07178	1.8
361.12863	3.1
364.24850	1.0
371.24673	1.9
375.14398	4.4
389.16370	1.3
389.25327	4.2
391.14093	6.4
392.14661	1.3
406.16257	7.7
407.17004	3.8
419.16910	2.4
420.18365	2.3
421.18698	61.2
422.19226	7.4
493.30063	1.6
599.24982	40.5
600.25629	7.3
629.16199	2.0
629.26099	4.2
629.38849	1.2
647.27698	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	647.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01374	11.8
61.98831	10.9
64.98427	1.3
69.03442	1.6
69.40339	3.6
69.40750	5.5
71.01378	6.2
77.66658	1.5
81.03453	4.0
83.01385	8.7
85.02931	2.2
87.00871	1.5
89.02430	3.5
93.03453	2.8
95.01402	1.7
95.05013	11.6
96.95960	1.5
97.02943	10.2
101.02436	4.0
107.05039	1.4
108.02168	7.9
109.02954	35.0
113.02462	1.2
113.06079	5.0
116.84929	1.2
119.04961	1.9
121.02959	9.5
122.03715	2.9
123.03722	2.1
123.04541	24.0
125.02441	21.0
131.04990	1.4
133.02928	3.0
135.04485	3.8
137.02443	21.1
137.06075	2.2
139.04018	8.4
143.55042	1.2
145.02907	4.0
146.03685	1.7
147.04495	2.0
149.02437	13.1
149.06113	1.9
150.03172	5.4
151.03981	11.1
159.04515	6.6
160.05302	2.9
161.02443	18.3
161.04974	1.1
161.06088	9.5
162.03154	5.5
163.00351	4.9
163.04001	8.3
164.01099	4.0
165.01929	8.6
165.05515	5.0
167.03432	2.4
173.02419	1.2
173.06075	1.2
174.03236	1.4
175.03952	8.1
175.07622	2.2
177.01917	10.5
177.05515	3.4
178.02556	1.4
179.03490	7.6
181.03603	2.0
181.05063	26.2
182.08223	2.3
185.06021	2.4
187.03996	6.3
188.04716	4.8
189.01666	1.2
191.03441	2.0
195.06691	3.0
201.05591	2.4
202.02751	1.5
202.06319	3.9
203.03488	2.9
203.07130	16.8
204.07394	2.2
205.05032	16.5
213.05376	1.9
217.04973	1.5
219.03149	1.7
219.06650	1.3
220.03796	8.6
221.04634	2.8
221.08133	5.1
227.03505	1.3
227.07114	3.8
229.04919	2.1
231.02832	2.6
241.05028	1.9
245.04529	1.7
245.08165	18.6
247.06140	7.4
265.14471	2.6
269.04562	1.7
270.05258	4.3
271.06149	2.7
273.07700	1.9
283.06143	2.3
285.07690	9.3
287.09265	6.6
289.07172	100.0
290.07593	7.4
297.07614	2.9
299.09204	4.8
310.04785	1.5
315.08929	1.7
324.06345	2.7
325.06985	6.1
326.07831	3.9
327.08630	2.7
343.08246	15.7
344.28214	1.3
380.20050	1.2
381.13272	1.9
437.12289	2.1
449.12387	36.7
450.12759	4.8
467.13400	5.7
495.14801	4.5
523.14606	9.0
603.20886	3.7
647.19757	95.9
648.20276	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	647.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
59.01382	8.8
61.98824	6.2
69.03465	2.1
69.38548	11.4
71.01376	4.7
81.03464	2.7
83.01400	12.5
85.02924	2.0
86.59653	1.3
89.02454	1.6
93.03461	5.2
95.01383	3.0
95.05037	4.1
96.96019	1.7
97.02950	8.3
98.20631	2.5
101.02448	3.3
108.02152	8.1
109.02960	43.4
113.02504	2.5
117.03531	1.3
119.05048	2.1
121.02951	9.8
122.03713	3.8
123.00894	3.8
123.04534	31.4
124.01626	2.7
124.04842	1.8
125.02438	21.2
133.02960	4.9
135.04536	6.4
137.02434	12.7
139.04025	6.4
141.58801	1.3
145.02927	2.9
146.03731	5.2
147.04494	2.4
148.01688	2.1
148.05321	8.1
149.02463	14.6
149.06075	9.2
150.03198	2.4
151.04016	16.1
159.04495	7.4
160.05342	6.0
161.02472	27.1
161.06059	16.2
162.03252	7.6
163.00383	3.1
163.04019	16.6
163.07724	6.5
164.01115	3.6
165.01961	5.5
171.04652	1.7
172.05347	6.3
173.06021	2.3
174.03250	5.0
175.04002	10.1
175.07654	4.0
177.05537	4.4
179.03494	3.7
181.05078	2.9
185.06126	4.8
186.03110	1.7
187.04042	8.3
187.07643	6.8
188.04738	5.7
189.01880	4.2
189.05559	2.7
191.03433	1.5
195.06575	1.6
197.06033	1.6
199.07687	2.6
200.04747	2.1
201.05554	5.7
202.02794	1.8
202.06311	3.2
203.03580	6.0
203.05409	1.5
203.07140	10.7
205.05046	23.1
211.03758	1.5
212.04723	1.6
213.05568	1.5
214.06479	1.7
215.07086	2.0
216.04228	3.6
217.05002	1.7
217.08661	2.6
219.06531	2.0
221.08157	1.5
225.05678	1.8
226.06360	1.4
227.03560	1.9
227.07083	6.2
228.07834	2.1
229.05008	5.3
229.08508	2.9
230.05824	1.9
231.02921	5.6
231.06628	5.8
233.04623	1.6
241.04929	2.3
242.05673	1.6
245.04300	1.6
245.08180	11.8
247.06039	10.5
249.04037	2.8
253.05034	1.9
255.06577	1.5
257.04550	4.9
264.06403	3.7
267.06720	2.1
269.04642	1.7
270.05365	10.4
271.05978	5.0
272.06796	3.7
273.04050	2.2
273.07690	3.3
279.08817	2.7
281.04388	2.2
281.08459	1.7
282.05194	2.3
283.06091	4.5
284.06711	3.3
285.07727	19.1
287.09283	15.5
288.09732	1.8
289.07190	55.6
290.07544	3.7
297.07761	3.8
299.09375	2.4
310.04910	3.6
311.05634	2.6
313.07156	5.0
315.08798	2.1
324.06262	2.0
325.07162	9.5
326.07761	4.8
327.08752	5.3
331.08353	2.1
339.08484	3.1
343.08224	2.9
351.12302	2.8
361.09030	1.4
393.13351	3.4
405.13300	1.9
437.12418	79.3
438.12827	10.3
449.12402	92.4
450.12680	14.2
467.13461	100.0
468.13818	15.8
495.15012	5.8
589.14886	1.3
647.19629	25.5
648.19983	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	645.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.7
59.01390	1.9
61.98835	6.3
70.02065	0.6
70.02451	0.5
78.60445	0.3
83.05030	0.5
97.06577	0.5
98.19891	0.5
120.70409	0.4
125.09700	2.7
127.11294	8.6
139.11316	0.4
143.10754	1.9
155.10799	2.9
157.12340	5.1
165.09157	0.6
171.10272	3.7
181.87280	0.3
187.13365	1.8
195.10564	0.4
201.11287	1.9
255.23341	0.4
259.01392	0.4
267.23297	0.5
277.21930	0.5
293.21198	0.5
295.22705	2.5
311.22226	1.3
313.23831	13.6
314.24142	1.3
329.23343	5.6
330.23523	0.7
331.24887	91.5
332.25226	8.2
606.80676	0.4
645.49481	100.0
646.19763	0.5
646.49817	20.7
662.60529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27675	0.1
61.91655	0.1
61.98831	100.0
62.98533	0.1
71.63438	0.2
73.58172	0.1
137.02446	0.2
143.76578	0.1
165.01884	0.2
179.20872	0.1
263.85852	0.1
647.21490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98835	100.0
69.69023	1.3
70.73644	0.2
71.01400	0.3
85.94997	0.2
93.03493	0.2
96.95995	0.3
98.20638	0.4
109.02981	0.3
121.02969	0.2
125.02446	0.3
132.06084	0.2
137.02487	0.5
145.08727	0.3
151.04036	0.2
156.88538	0.2
165.01974	0.6
174.03221	0.2
180.04213	0.5
195.06720	0.3
225.07726	0.5
226.08109	0.2
229.05025	0.3
243.12393	0.2
314.70831	0.2
420.17813	0.2
428.93820	0.2
456.92172	0.2
603.26404	0.3
617.20728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.6
57.03449	2.8
58.00591	0.7
59.01383	15.5
61.98519	1.8
61.98835	37.9
63.02439	0.8
71.01389	24.7
71.05023	1.7
71.62839	0.7
72.99321	1.9
73.02950	18.2
75.00888	1.1
83.01382	4.9
83.05028	17.7
84.13174	0.8
85.02960	11.9
85.06593	3.3
87.00856	1.4
88.98821	1.6
89.02442	7.2
95.01414	2.1
96.95982	1.3
97.02978	1.3
99.00870	3.0
99.04543	1.7
101.02450	17.1
101.06097	8.5
108.04461	1.0
109.02956	1.6
111.00889	1.3
111.04531	17.7
113.02454	11.0
113.09738	6.0
119.03489	2.7
121.02983	1.5
122.03716	3.0
123.04531	2.3
123.08183	1.1
124.01675	1.1
125.02430	3.5
127.04025	15.6
127.07689	1.1
135.04555	1.0
135.42468	0.7
136.01668	1.4
137.02464	8.6
138.03230	1.1
139.00481	1.0
139.04048	1.0
141.09229	100.0
142.09547	3.2
143.03506	2.2
149.02390	1.0
149.06018	1.0
151.04005	1.6
152.04750	1.0
159.03024	2.4
161.04581	13.7
163.03970	1.0
164.01221	1.3
165.01942	13.5
167.07094	4.1
179.03506	1.5
179.05666	0.9
205.05040	1.4
267.11029	1.5
288.06409	1.6
289.06989	0.9
304.96707	0.8
327.51190	0.8
338.64566	0.8
353.26843	2.0
441.28308	1.2
448.25217	0.9
459.29596	12.9
460.29868	1.3
475.17294	0.7
493.24640	2.0
497.30902	1.0
515.32275	55.4
516.32501	6.0
517.33923	1.3
578.32990	1.0
583.38739	4.8
585.35535	0.9
601.30792	1.3
601.39734	12.7
602.39783	1.9
627.37518	33.5
628.37964	6.7
645.29242	18.1
645.38373	10.8
646.29327	2.2
646.38550	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29273	0.5
57.03456	0.5
59.01380	1.7
61.98833	7.9
64.75891	0.5
67.01888	0.8
69.52513	4.5
71.01378	1.3
77.91831	0.5
84.86591	0.6
85.01223	0.6
88.98843	0.6
89.02438	1.0
98.15397	0.5
101.02450	1.3
109.02962	1.5
111.00854	0.8
121.02953	1.1
123.00855	0.8
123.04500	0.6
124.01601	1.2
125.02451	0.8
137.02454	19.4
138.03226	0.8
139.00330	0.8
139.04001	0.9
147.10699	0.6
147.74867	0.5
150.03249	0.7
151.03984	1.5
163.03928	0.6
164.01140	1.7
165.01930	100.0
166.02325	3.5
172.41058	0.7
179.03502	13.8
180.04285	57.9
181.04713	3.0
192.04272	0.7
194.05922	3.0
195.02945	2.4
195.06621	81.2
196.06924	3.6
207.06618	0.9
210.05353	12.2
211.05873	0.9
225.07687	77.7
226.07977	4.1
313.07050	1.3
327.08585	1.1
329.06555	1.0
343.08096	0.9
344.08920	1.2
358.10614	3.4
359.11398	7.4
373.12912	9.5
374.13269	0.9
389.12234	3.3
404.14844	4.6
405.15350	1.0
419.17126	33.1
420.17441	3.7
531.12732	0.6
593.10297	0.7
597.23578	3.3
645.24878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.6
57.03444	1.7
59.01379	18.6
61.98831	36.6
68.67862	1.1
69.50829	1.1
71.01383	25.5
71.63683	1.8
72.99314	1.6
73.02955	6.6
75.00867	1.5
83.01398	4.7
83.05025	32.8
85.02960	10.9
88.98781	1.8
89.02445	8.8
95.01437	2.5
97.06578	1.4
99.00881	6.2
99.04540	2.7
101.02437	15.5
109.02983	1.3
111.00919	1.5
111.08180	1.5
113.02452	8.9
116.92862	17.6
119.03551	2.2
121.06602	5.0
125.02460	3.3
127.04015	100.0
128.04384	3.4
137.06093	4.4
139.04001	1.9
139.07648	32.1
143.03452	1.3
159.82736	1.1
161.04570	6.3
165.05577	18.2
165.06883	1.9
166.06000	1.4
179.05614	1.2
209.11890	2.5
296.20526	1.5
403.32175	1.5
404.10394	1.4
421.33224	10.8
422.33328	1.6
432.38577	1.3
439.34427	4.2
489.72049	1.3
517.33923	17.4
517.40930	2.3
518.33643	2.5
535.35077	4.1
536.35449	1.3
583.39282	1.5
585.28503	6.7
601.39600	61.5
602.40051	9.0
627.37280	6.9
628.38104	2.2
633.57086	1.4
645.27887	2.3
645.38660	41.0
645.48932	2.6
646.39081	7.2
652.24567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01384	3.7
61.98836	10.6
64.32236	0.6
67.01882	1.1
69.31398	3.0
69.31830	3.0
71.01385	2.6
76.73383	0.6
78.22174	0.6
79.85183	0.6
83.01362	1.1
85.02948	0.9
88.98815	0.9
89.02467	0.8
93.03474	0.7
95.01388	0.7
101.02435	0.9
104.11259	0.7
104.93155	0.8
106.04121	0.6
108.77928	0.7
109.02959	3.2
113.02454	1.2
119.05045	0.8
121.02964	1.7
122.03726	0.8
123.04554	2.0
124.01742	1.4
125.02438	4.2
135.08162	0.7
136.01677	1.5
137.02463	21.5
138.02959	1.3
139.04091	0.8
139.11298	0.8
145.02971	3.5
146.03735	0.8
147.04517	3.1
148.01733	0.9
149.02411	1.6
150.03165	0.6
151.03999	3.5
151.07715	1.0
152.04433	0.6
153.02014	0.8
161.02467	3.1
162.03304	3.7
163.04044	5.4
164.01152	2.8
164.04810	1.0
165.01938	100.0
166.02281	4.6
173.02414	2.3
174.03244	1.8
175.04010	7.5
176.04738	2.4
177.02016	1.2
177.05591	5.2
178.02669	0.6
179.03513	17.8
179.07104	1.3
180.04297	53.6
181.04855	2.9
183.10268	2.5
188.04770	2.5
189.05573	2.6
190.06345	8.6
191.03471	2.7
191.07114	6.0
192.04318	1.2
193.05046	3.4
193.08659	3.3
194.05862	11.0
195.02960	2.8
195.06633	68.3
196.06926	3.7
203.07135	2.3
204.07474	0.7
205.05017	1.8
205.08711	9.6
206.05788	2.3
206.09044	0.8
207.06639	8.0
208.07425	5.6
209.08179	3.0
210.05347	9.8
211.05954	1.5
219.06497	0.7
221.08223	1.0
222.08960	2.2
224.65970	0.8
225.07692	54.4
226.08043	2.3
270.59424	0.8
285.04092	0.8
289.07220	3.5
290.07532	0.7
357.13629	1.8
375.14368	1.8
387.14838	1.1
388.14966	0.9
389.16101	44.4
390.16357	5.5
401.15863	1.0
419.17148	0.8
475.14066	2.5
493.15060	1.2
507.16913	0.7
522.19397	0.8
567.22363	45.1
568.22754	7.3
597.23169	1.6
615.24512	9.0
616.25018	1.7
645.28149	11.7
645.38788	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	643.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24496	0.6
53.94224	0.7
55.01859	0.8
57.03440	1.6
59.01385	13.2
61.98838	46.2
71.01044	1.0
71.01391	13.8
71.62339	1.4
72.99296	2.1
73.02940	2.7
81.03441	1.2
83.01401	3.6
85.02528	0.7
85.02963	6.1
87.00873	1.6
88.98793	2.0
89.02446	9.1
93.03438	1.9
95.01379	1.6
95.05017	1.1
96.96005	1.7
97.02979	5.2
99.00887	1.6
99.04450	0.7
101.02457	11.0
108.02170	2.5
108.31808	0.7
109.02968	9.6
111.00861	1.1
113.02458	4.9
116.92859	1.0
119.03497	2.6
121.02998	4.7
122.03761	7.2
123.04547	7.8
123.65622	0.8
124.01627	2.8
124.47030	0.7
125.02466	4.8
133.06601	1.1
135.04497	2.7
136.01639	1.2
136.05316	1.7
137.02460	27.4
137.05983	0.8
138.03218	1.6
139.03972	2.0
143.03491	1.4
145.02953	1.6
145.62793	0.7
146.03728	1.2
147.04472	0.9
149.02495	5.5
149.06087	1.6
150.03188	1.9
151.04033	5.6
151.07625	2.8
154.02692	2.0
159.04515	2.0
161.02438	3.1
161.04512	3.1
161.06042	5.1
162.03163	1.8
163.03989	1.7
164.01190	4.9
164.04794	0.8
165.01939	33.3
165.05505	0.8
166.02335	1.2
172.79770	0.7
173.05984	0.7
175.03989	1.7
175.07674	0.9
177.05496	2.0
178.02679	0.8
179.03491	5.3
179.04829	0.7
179.05627	0.8
187.03983	3.6
188.04689	2.0
189.05460	0.8
191.07286	1.3
197.11838	0.8
201.05540	2.6
202.06306	0.8
203.07146	7.2
205.05075	6.2
219.06619	2.4
223.06204	0.8
225.07690	1.0
226.06581	0.8
231.03061	0.8
244.07353	1.9
246.99068	0.8
247.06050	1.4
260.13437	0.7
267.10867	0.9
267.44067	0.8
273.18738	0.8
285.03839	0.7
288.06482	5.3
289.07056	1.3
319.22586	1.3
323.18604	1.2
357.26443	1.1
383.24216	1.4
419.22092	1.5
463.30612	2.0
479.22620	1.3
481.22208	1.4
481.28073	6.9
482.27823	0.9
491.23038	5.3
492.22989	1.0
513.30841	0.9
519.22406	0.9
564.52820	0.9
587.58710	0.8
599.28699	3.8
625.36707	2.1
643.27454	100.0
644.27661	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	644.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
59.01393	0.3
61.98834	100.0
66.72643	0.1
71.01393	0.2
71.63158	0.2
101.02431	0.3
117.14475	0.2
125.02409	0.3
137.02493	0.3
145.65497	0.2
161.04555	0.1
164.35468	0.2
167.03554	0.2
222.64558	0.2
223.61525	0.2
225.07811	0.2
232.69109	0.2
289.07376	0.2
482.44116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01384	3.7
61.98836	10.6
64.32236	0.6
67.01882	1.1
69.31398	3.0
69.31830	3.0
71.01385	2.6
76.73383	0.6
78.22174	0.6
79.85183	0.6
83.01362	1.1
85.02948	0.9
88.98815	0.9
89.02467	0.8
93.03474	0.7
95.01388	0.7
101.02435	0.9
104.11259	0.7
104.93155	0.8
106.04121	0.6
108.77928	0.7
109.02959	3.2
113.02454	1.2
119.05045	0.8
121.02964	1.7
122.03726	0.8
123.04554	2.0
124.01742	1.4
125.02438	4.2
135.08162	0.7
136.01677	1.5
137.02463	21.5
138.02959	1.3
139.04091	0.8
139.11298	0.8
145.02971	3.5
146.03735	0.8
147.04517	3.1
148.01733	0.9
149.02411	1.6
150.03165	0.6
151.03999	3.5
151.07715	1.0
152.04433	0.6
153.02014	0.8
161.02467	3.1
162.03304	3.7
163.04044	5.4
164.01152	2.8
164.04810	1.0
165.01938	100.0
166.02281	4.6
173.02414	2.3
174.03244	1.8
175.04010	7.5
176.04738	2.4
177.02016	1.2
177.05591	5.2
178.02669	0.6
179.03513	17.8
179.07104	1.3
180.04297	53.6
181.04855	2.9
183.10268	2.5
188.04770	2.5
189.05573	2.6
190.06345	8.6
191.03471	2.7
191.07114	6.0
192.04318	1.2
193.05046	3.4
193.08659	3.3
194.05862	11.0
195.02960	2.8
195.06633	68.3
196.06926	3.7
203.07135	2.3
204.07474	0.7
205.05017	1.8
205.08711	9.6
206.05788	2.3
206.09044	0.8
207.06639	8.0
208.07425	5.6
209.08179	3.0
210.05347	9.8
211.05954	1.5
219.06497	0.7
221.08223	1.0
222.08960	2.2
224.65970	0.8
225.07692	54.4
226.08043	2.3
270.59424	0.8
285.04092	0.8
289.07220	3.5
290.07532	0.7
357.13629	1.8
375.14368	1.8
387.14838	1.1
388.14966	0.9
389.16101	44.4
390.16357	5.5
401.15863	1.0
419.17148	0.8
475.14066	2.5
493.15060	1.2
507.16913	0.7
522.19397	0.8
567.22363	45.1
568.22754	7.3
597.23169	1.6
615.24512	9.0
616.25018	1.7
645.28149	11.7
645.38788	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01384	14.3
61.98834	39.2
69.03451	1.5
71.01390	8.7
72.99293	1.0
73.02945	1.6
78.91898	0.8
80.91681	2.0
81.03460	0.9
83.01390	4.4
83.01802	0.7
85.02930	1.8
87.04512	4.2
88.98813	4.2
89.02460	5.8
93.03462	1.8
95.01392	1.3
95.05014	0.9
96.96002	3.1
96.96980	1.0
97.02969	3.6
101.02450	6.6
108.02197	1.5
109.02957	8.7
110.91018	0.7
111.00914	0.8
113.02439	4.0
116.92870	0.9
119.03490	2.3
121.02959	5.6
122.03750	7.1
123.00956	0.8
123.04534	8.4
124.01624	2.1
125.02446	5.3
131.04997	0.8
135.04497	2.0
136.01672	1.1
136.02733	0.8
137.01421	1.4
137.02451	26.5
138.03172	2.4
139.03998	2.6
141.09164	0.9
146.03708	1.4
148.05325	0.9
149.02415	3.2
151.04013	3.9
153.01881	0.7
154.02690	2.1
155.10747	1.6
159.04530	1.7
161.02422	2.4
161.04788	1.2
161.06061	5.2
162.03178	1.8
163.03986	1.7
164.01131	3.9
164.04701	1.1
165.01936	35.5
165.05576	1.3
166.02257	1.5
173.06017	0.9
175.04041	1.6
177.05560	1.1
179.03502	5.0
180.04240	1.3
187.03931	2.5
188.04651	1.3
191.03491	0.9
195.06599	2.0
201.05432	1.7
202.06380	0.8
203.03381	0.8
203.07123	6.0
204.04448	0.8
205.05054	8.4
215.12904	13.3
227.13264	0.8
227.34010	0.7
244.07521	0.9
245.08331	1.1
247.06226	1.4
257.13922	2.1
285.03986	1.5
288.06384	1.8
289.07336	1.5
395.22021	1.2
417.15558	1.3
419.22247	2.9
479.22620	0.8
481.22269	3.8
491.22870	2.0
531.31720	1.1
599.28699	1.8
643.27557	100.0
644.27905	18.5
644.38599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10863	0.3
58.00590	0.4
59.01380	8.6
61.98833	1.0
69.03460	0.9
69.35136	0.9
69.35546	1.8
71.01388	5.2
72.99315	0.6
73.02925	0.3
73.55524	0.3
77.03944	0.5
81.03458	0.3
83.01396	3.5
85.02959	1.5
85.07375	0.3
88.56995	0.3
89.02446	4.2
93.03469	1.7
95.01378	1.5
95.05012	0.5
97.02961	3.6
101.02436	3.4
108.02171	1.5
109.02960	8.2
113.02432	1.5
117.03440	0.4
119.03532	0.6
121.02968	4.2
122.03754	8.6
123.00816	0.4
123.04527	5.3
124.01669	2.2
125.02445	1.2
135.04532	1.8
136.01622	0.6
137.02444	24.0
138.03305	1.5
139.03986	2.1
141.81316	0.3
143.05013	0.4
145.02980	0.7
146.03758	1.7
147.04425	0.4
148.01706	0.7
149.02440	2.9
149.06006	0.5
150.03188	1.2
151.04033	3.0
151.69069	0.3
154.02734	1.6
159.04546	2.1
160.05281	0.4
161.02441	1.2
161.06075	4.2
162.03178	0.8
163.00403	0.5
163.04005	1.4
164.01163	4.9
165.01929	33.7
166.02345	1.4
173.06148	0.4
175.04033	1.0
176.04742	0.7
177.05577	2.2
178.02623	0.3
179.03488	4.9
185.05986	0.4
187.03999	1.8
188.04768	0.6
190.02704	0.3
201.05511	1.5
202.06310	0.9
203.03368	0.4
203.07152	5.9
204.04285	0.9
204.07355	0.4
205.05049	8.7
206.05424	0.4
229.05087	0.5
231.02942	0.7
244.07361	1.7
245.08279	0.4
247.06079	1.5
284.05075	0.3
288.06406	2.0
297.14822	0.3
395.22098	0.6
419.22324	3.4
420.22501	0.3
463.21298	0.7
469.49478	0.3
471.23904	0.3
479.22858	1.1
491.22864	1.9
521.24072	0.7
533.24292	0.6
599.28320	2.0
643.27594	100.0
644.27869	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.4
58.00583	0.5
59.01385	10.0
61.98831	3.5
69.03448	0.7
69.45914	2.8
71.01393	5.1
72.99323	0.6
77.03977	0.6
77.68594	0.3
82.19025	0.4
83.01391	3.1
85.02982	1.9
88.98830	0.4
89.02456	4.3
93.03461	1.6
95.01392	1.2
97.02972	4.2
98.19810	0.6
101.02448	3.0
107.05061	0.5
108.02178	1.5
109.02966	9.1
113.02451	1.4
119.03516	1.2
121.02959	4.0
122.03755	8.9
123.04546	6.3
124.01662	2.5
125.02454	2.0
135.04533	1.6
136.01665	0.7
137.02463	24.8
138.03221	1.6
139.04037	2.0
146.03737	1.4
148.05377	0.5
149.02461	3.3
150.03253	0.8
151.04013	3.4
154.02701	1.3
159.04503	1.7
160.05412	0.5
161.02441	1.6
161.06082	4.0
162.03238	1.3
163.00397	0.5
163.04002	1.2
164.01186	4.6
165.01945	33.5
166.02325	1.0
167.93268	0.4
173.06024	0.5
175.04031	0.8
175.07698	1.0
176.04701	0.4
177.05603	2.1
179.03516	3.4
180.04227	0.4
187.03989	1.5
188.04813	1.3
190.02812	0.4
201.05527	1.2
202.06398	0.8
203.03528	0.5
203.07156	7.5
204.04117	0.4
205.05066	8.8
231.02972	1.0
243.06702	0.4
244.07396	1.4
245.08253	0.4
247.05997	1.9
288.06433	1.7
289.06870	0.5
395.22247	0.9
419.22229	3.8
420.22504	0.7
429.88940	0.3
463.21533	1.0
479.23108	1.6
481.22269	0.9
491.22971	3.6
519.22760	0.5
533.24023	0.9
599.28558	1.7
643.27649	100.0
644.27954	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21660	1.3
57.03423	2.8
59.01382	28.1
61.98840	55.2
62.29498	1.3
68.41291	1.4
69.01366	1.4
71.01389	20.1
71.63322	1.6
72.99309	2.0
73.02943	5.7
83.01382	5.6
83.05025	6.6
85.02956	8.0
87.00896	2.3
88.98790	1.3
89.02469	10.1
95.01377	2.2
96.95993	2.6
97.02940	5.3
99.00900	1.9
99.04532	3.3
101.02453	11.5
109.02961	10.9
111.04494	3.7
113.02466	5.4
113.89192	1.4
114.09538	1.4
116.92856	5.2
117.27881	1.6
119.03499	3.3
121.02950	2.2
122.03789	2.6
123.04550	8.2
125.02426	5.7
127.04018	11.5
135.04568	2.2
137.02460	5.9
139.04013	3.4
139.07660	3.3
140.04341	1.5
144.93532	1.3
145.03012	1.7
149.02419	6.1
150.28612	1.5
151.04004	3.1
159.04459	2.7
161.02438	2.2
161.04469	1.9
161.06059	3.1
163.03976	3.2
164.01138	2.0
165.01913	5.5
165.05533	3.2
177.01848	1.7
179.03418	1.7
187.03998	2.0
197.11856	3.3
201.11276	2.7
203.07080	4.9
205.05080	9.8
209.11850	2.8
247.06087	4.6
285.03735	1.6
303.05170	3.2
419.22128	2.6
437.32672	2.3
463.21429	3.9
491.22763	2.1
513.31177	2.0
515.32050	2.2
599.37897	18.9
625.36053	18.4
643.27563	100.0
643.37335	9.2
644.27881	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.00593	0.4
59.01381	9.2
61.98825	0.9
69.03453	0.7
69.75036	0.6
69.75448	1.5
71.01391	5.1
72.99311	0.4
77.70547	0.3
81.03447	0.5
83.01389	3.9
83.47854	0.3
85.02959	1.3
89.02444	4.1
93.03471	1.8
95.01357	1.5
95.25598	0.3
96.38116	0.3
97.02959	4.5
98.20585	0.7
101.02457	3.2
101.48522	0.4
108.02158	1.5
109.02961	7.9
111.00838	0.4
113.02438	1.4
119.03507	1.0
121.02964	4.4
122.03757	8.8
123.00872	0.5
123.04539	6.0
124.01698	2.3
125.02482	1.5
133.06557	0.4
135.04507	1.5
136.01666	1.0
137.02452	26.0
138.03329	1.6
139.04024	2.3
140.66846	0.3
143.05011	0.5
145.02979	0.5
146.03734	1.2
147.04503	0.3
149.02454	3.4
149.06076	0.4
150.03207	0.9
151.04031	2.9
152.84810	0.3
154.02711	2.0
157.06487	0.4
158.03731	0.3
159.04532	1.7
160.05211	0.4
161.02444	1.5
161.06087	3.4
162.03198	1.4
163.00389	0.5
163.04002	1.5
164.01178	4.1
164.04807	0.3
165.01941	37.6
165.05595	1.3
166.02356	1.2
173.06071	0.6
175.04013	0.9
175.07645	0.4
177.05592	2.2
177.31679	0.3
178.02708	0.3
179.03520	4.0
187.04045	1.8
188.04759	1.3
190.02815	0.4
191.03564	0.4
201.05566	1.6
202.06325	1.0
203.03506	0.5
203.07121	6.3
204.04199	0.5
205.05070	8.5
206.05502	0.6
214.35838	0.3
229.05034	0.4
231.02991	0.8
244.07364	1.5
247.06100	1.2
269.07956	0.4
281.06693	0.9
288.06485	2.2
289.07144	0.7
365.46695	0.4
391.62314	0.3
395.22372	1.1
419.22296	3.5
420.22522	0.6
463.21161	0.8
464.21466	0.4
479.22931	1.3
481.22171	0.9
491.23099	1.8
519.22064	0.4
521.23566	0.5
533.23730	0.9
538.58026	0.4
599.28583	1.5
625.26654	0.4
643.27625	100.0
644.27930	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	643.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
60.99309	18.3
61.98835	12.6
63.21798	0.8
70.18241	3.0
71.01378	4.3
73.02944	1.5
79.92397	0.8
80.61626	0.9
85.02943	2.0
87.00893	2.5
88.00415	2.2
88.98810	100.0
89.02453	22.3
101.02452	3.5
113.02487	2.0
125.02436	1.7
135.89998	0.8
137.02455	2.0
153.01898	0.9
164.01035	0.9
271.11105	1.1
322.58264	0.8
332.02695	0.8
405.64786	0.9
419.85834	0.9
468.79340	0.8
490.66989	0.9
511.27594	2.2
545.10437	0.8
553.23114	1.6
643.22382	1.0
643.32050	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47504	0.5
57.03419	0.6
57.20206	0.4
58.00599	0.5
59.01386	9.9
61.98829	2.3
69.39629	3.7
71.01395	5.7
72.99314	0.6
81.03450	0.5
83.01384	2.6
85.02951	1.7
89.02457	4.2
93.03470	1.1
95.01402	1.2
97.02967	4.5
101.02472	2.8
108.02154	1.1
109.02966	6.7
111.00822	0.6
113.02438	1.8
119.03501	1.1
121.02958	3.3
122.03767	8.6
123.04547	5.7
124.01690	2.5
125.02432	1.9
135.04558	1.1
136.01711	0.8
137.02455	23.6
138.03214	1.8
139.03999	2.1
146.03735	1.4
149.02464	3.7
150.03235	1.4
150.06856	0.7
151.04034	3.4
154.02715	2.1
159.04533	2.1
161.02469	1.2
161.06100	4.2
162.03227	1.5
163.04004	1.5
164.01190	3.5
165.01936	37.2
165.05515	1.1
166.02202	1.1
173.06067	0.8
175.03983	1.4
177.05554	1.4
179.03503	4.5
187.04001	1.6
188.04755	1.1
190.02693	0.5
201.05643	1.2
202.06410	0.8
203.03572	0.6
203.07143	7.4
204.04138	0.5
204.07521	0.5
205.05064	8.9
229.05081	0.8
231.03105	0.8
244.07368	1.5
247.06123	2.3
267.04169	0.6
288.06424	1.8
419.22433	4.0
420.22498	0.6
463.21439	0.6
479.22849	1.2
481.21640	0.9
491.22675	2.5
519.22345	0.6
533.23792	1.3
599.28790	1.7
643.27649	100.0
644.27924	22.5
644.38690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98820	1.1
69.62045	0.6
69.62449	2.1
70.27394	0.3
71.23670	0.4
73.44794	0.3
80.24830	0.4
83.01398	0.6
92.60426	0.4
93.03419	0.6
93.51927	0.3
95.04997	0.8
97.02953	1.2
101.02435	0.6
109.02959	4.8
120.01251	1.4
121.02953	0.8
123.04520	3.0
125.02457	3.3
132.46608	0.4
137.02492	2.6
139.00369	0.8
139.03966	0.6
145.02965	0.4
149.02422	1.1
151.03973	1.8
159.04514	0.5
161.06050	0.8
164.01187	0.5
165.01865	0.9
166.06596	0.5
175.04010	0.6
179.03537	0.8
188.04758	0.8
192.04463	0.9
194.06166	2.4
203.07127	2.0
205.05135	1.3
206.06079	0.5
220.03984	1.0
221.04840	1.7
222.05557	5.2
227.07230	0.5
234.05588	1.2
238.04976	0.5
245.08192	2.5
248.03529	4.3
249.04292	8.6
250.05074	37.2
251.05478	3.1
255.23256	0.5
265.03787	0.5
265.49741	0.4
266.04483	1.0
276.03018	2.5
278.04572	100.0
279.04919	8.8
279.70422	0.5
281.04492	0.7
289.07181	17.5
290.07553	1.3
293.03275	2.3
294.04016	1.5
295.24524	0.4
306.04019	0.4
308.05743	2.7
352.04620	10.5
353.05002	0.9
384.21075	0.4
385.65186	0.4
385.70343	0.4
449.01935	0.4
481.13748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
58.76563	0.1
59.01384	0.7
61.98831	100.0
62.98558	0.1
70.27145	0.6
71.01408	0.7
71.30918	0.2
73.02948	0.2
78.95947	0.2
88.98830	0.2
89.02456	0.3
91.71017	0.1
96.96017	0.3
96.96986	0.2
98.20563	0.2
101.02469	0.6
103.75948	0.1
109.02973	0.3
121.02945	0.3
122.03826	0.3
123.04517	0.2
125.02438	0.7
131.03551	0.2
136.01613	0.2
136.05324	0.6
137.02419	0.8
139.04047	0.2
149.02466	0.2
149.06133	0.3
151.04021	0.4
151.07678	0.6
152.01302	0.2
161.02380	0.3
165.01930	1.4
165.09235	0.2
179.03560	0.2
180.04343	0.6
180.39305	0.2
181.05040	0.2
195.06633	0.9
210.05449	0.2
225.07715	0.8
232.84448	0.2
289.07214	0.3
339.25378	0.9
357.26450	3.4
358.27069	0.5
399.27570	0.4
480.34372	0.2
481.22733	0.2
481.35403	1.3
487.62408	0.2
595.21832	0.3
625.35864	0.2
642.26874	0.4
642.36713	0.2
643.28326	0.3
643.37421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98830	100.0
70.40124	2.0
93.03477	0.9
97.25913	0.5
107.01397	0.8
107.69965	0.6
115.18362	0.6
117.03488	1.2
119.05048	1.0
135.00888	1.3
145.02957	2.2
151.00372	0.7
157.06581	0.8
163.04042	1.4
169.56090	0.6
185.06038	1.1
187.03996	1.4
189.05527	1.0
211.04054	1.3
213.05577	1.0
227.03537	3.7
229.05057	6.6
239.03644	0.8
240.04074	0.6
241.05099	0.9
255.02966	6.3
256.03598	1.3
257.04504	3.8
284.03265	7.6
285.04034	61.9
286.04337	4.5
337.07352	0.6
431.09448	0.6
458.11203	0.6
577.13550	23.6
578.13757	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	640.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.0
59.01384	16.1
61.01243	0.6
61.53873	0.7
61.98835	58.2
69.60979	3.3
69.61385	1.4
71.01395	3.4
72.99310	1.3
73.02962	1.5
85.02958	2.9
89.02451	2.5
89.52119	0.6
98.20652	0.7
101.02454	1.7
103.04017	0.9
109.20129	0.6
117.03472	5.1
121.02959	0.9
125.02433	1.5
127.32619	0.6
131.01410	1.3
137.02473	0.8
143.32037	0.7
147.88031	0.7
161.02440	1.2
163.03969	0.8
173.02477	3.4
175.00386	6.9
179.03439	1.5
249.05664	0.8
268.03799	0.8
269.04492	5.6
281.04477	5.1
282.05392	6.6
283.06171	6.7
289.07266	0.9
293.04575	100.0
294.04950	7.9
295.06146	1.9
311.05624	12.1
312.05692	1.1
314.04346	1.6
323.05798	4.0
331.14624	0.8
335.05710	1.7
341.06653	4.8
353.06763	1.5
413.08731	31.3
414.09323	3.3
457.11661	3.5
534.88300	0.7
577.15656	98.9
578.16046	14.9
578.24506	1.5
603.01709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	12.7
58.55989	1.1
59.01372	1.9
61.98832	100.0
71.63618	1.2
83.01366	2.5
88.98805	2.0
91.09338	1.1
95.05051	1.2
97.02943	2.8
100.85120	1.0
107.05019	1.5
109.02971	11.1
116.92840	1.7
118.51930	1.4
121.02940	1.9
123.04525	9.4
125.02448	94.8
126.02806	1.8
129.60690	1.0
133.02921	1.5
135.08192	2.2
137.02449	20.4
139.04022	1.3
142.11195	1.2
149.02408	3.5
151.03992	7.0
158.51898	1.0
159.04524	1.8
161.02448	17.8
161.06064	3.8
162.03198	2.7
163.00476	1.2
163.03954	2.7
164.01161	3.0
165.01920	4.2
167.03499	1.4
175.03966	4.9
177.01907	3.3
179.03517	4.7
187.03973	4.4
188.04761	1.4
201.05580	2.4
203.07118	6.0
205.01425	1.8
205.05035	6.4
215.03532	1.6
229.05005	1.7
243.02982	1.5
245.04584	2.5
245.08154	8.8
249.11243	7.9
250.11682	1.8
252.53911	1.1
255.02998	2.5
256.03745	2.6
269.04370	1.3
273.04031	5.0
281.04578	1.4
285.04004	2.3
287.05612	9.3
288.05823	1.4
289.07172	54.3
290.07455	2.8
297.07620	1.4
299.05536	6.5
336.19489	1.2
339.08640	1.7
381.09421	1.2
407.02664	2.3
407.07690	33.8
408.08023	3.4
425.08789	41.4
426.09003	4.5
451.10403	11.4
452.10693	1.3
467.10593	1.4
577.13470	23.9
578.13940	3.5
600.01794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	13.2
61.98837	20.5
69.58544	11.1
69.72940	1.8
83.01395	4.0
88.98804	2.4
95.05038	2.4
97.02951	3.4
107.05019	2.7
109.02953	17.5
121.02959	3.6
123.04546	13.1
125.02453	100.0
126.02803	2.5
133.02937	3.2
135.04526	2.5
137.02454	22.3
139.03995	2.4
143.04912	1.6
149.02399	5.7
151.03986	11.9
152.04292	2.0
159.04393	1.7
161.02440	27.8
161.06004	2.5
162.03142	3.2
163.00340	2.2
163.03992	2.8
164.01132	3.8
165.01907	5.0
167.03465	2.0
175.03970	9.7
175.07617	1.9
177.01886	4.9
177.05602	1.6
178.02597	1.8
179.03424	5.0
187.04039	8.3
187.05516	1.7
188.04739	2.7
203.07118	10.6
205.01352	2.0
205.05035	6.1
211.03902	1.9
212.04561	2.4
217.05110	1.9
221.08066	1.7
227.03429	1.8
227.07059	1.7
229.05063	3.0
229.08574	1.5
243.02930	2.8
245.04494	4.4
245.08218	13.7
246.08476	1.8
255.03003	9.1
256.03757	5.3
257.04623	2.9
269.04608	1.6
273.04047	5.5
281.04590	6.7
283.02539	2.4
285.03964	4.0
287.05637	12.6
289.07202	66.5
290.07599	4.0
297.04230	1.8
299.05600	6.7
335.62897	1.5
339.08585	4.2
381.09421	1.9
407.07730	69.3
408.08041	5.2
425.03061	3.4
425.08813	52.2
426.09064	6.8
451.10352	18.9
452.10593	1.9
559.11731	3.0
577.13605	25.8
578.13971	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	639.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	3.1
59.01385	54.4
61.98838	49.2
69.83754	2.4
71.01386	41.1
71.62530	3.8
72.99324	3.1
83.01392	5.3
84.72620	2.5
85.02972	7.6
87.00883	9.7
89.02441	50.9
101.02460	22.6
108.60445	2.2
113.02450	19.5
116.92854	6.9
119.03516	19.2
125.02477	5.8
125.09698	2.8
131.03577	2.5
143.03494	7.8
159.38504	2.2
161.04565	8.6
164.83200	2.2
179.05638	20.8
199.67183	2.2
222.42502	2.3
224.70413	2.3
255.23297	100.0
256.23605	6.6
269.24921	6.3
297.24277	3.3
319.22812	23.2
323.09830	31.1
341.10941	52.7
342.11075	3.0
555.28839	4.2
579.33893	25.2
580.34601	4.7
639.41656	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	640.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	12.6
59.01404	2.2
59.28030	2.0
61.98836	32.2
69.51801	2.1
71.01367	2.7
81.03487	2.4
83.01398	6.1
87.00899	2.2
88.98812	5.0
89.02460	2.3
95.05054	2.8
95.15717	2.2
97.02957	4.5
98.19848	5.2
103.78745	1.8
109.02953	17.6
121.02980	4.5
123.04549	15.5
125.02459	100.0
133.02971	2.7
137.02449	22.9
139.03995	4.1
145.02995	2.6
149.02457	3.9
150.03160	2.8
151.04044	11.8
159.04462	3.0
161.02455	29.4
161.06068	4.1
163.00351	2.6
163.03914	3.6
164.01117	4.6
165.01918	5.2
167.03473	6.1
175.04021	10.4
177.01903	5.6
179.03470	5.3
179.62360	1.9
187.04018	9.2
188.04713	2.1
203.07231	10.0
205.01436	2.9
205.05103	7.4
229.05089	5.4
239.94688	2.1
245.04587	7.7
245.08098	13.4
255.03033	4.8
256.03778	4.3
273.04117	5.6
281.04431	2.7
285.04108	3.9
287.05655	9.7
289.07224	59.7
290.07620	4.0
299.05606	7.0
339.08707	5.5
407.07678	60.8
408.08066	7.8
425.08813	42.7
426.09033	6.3
451.10275	16.3
452.10931	2.1
559.12537	2.8
577.13470	24.5
578.14343	3.5
615.25836	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	639.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06596	1.5
55.01854	2.5
55.39878	1.4
57.03446	3.7
59.01389	30.8
61.98837	54.1
65.03964	2.7
68.65074	1.6
71.01395	25.4
72.99296	3.6
73.02946	6.7
75.98101	1.7
79.16576	1.5
81.03454	2.1
83.01388	4.0
83.05031	9.9
85.02956	10.2
85.06583	2.9
87.00890	10.0
88.98811	4.7
89.02454	11.7
89.80462	1.6
91.05517	2.1
97.02936	2.9
97.06573	5.3
99.00930	2.0
101.02462	17.9
109.06580	4.0
111.08202	9.4
113.02480	11.8
115.03995	1.9
119.05048	2.5
121.02923	2.1
122.03661	1.7
123.08132	2.8
125.02444	3.4
125.09735	13.1
130.27261	1.8
133.06639	2.3
135.00806	1.9
135.08148	1.7
137.02437	3.2
137.09732	3.1
139.07658	1.6
143.03580	2.3
145.05051	4.4
149.02431	2.6
161.04559	5.4
163.04027	1.7
171.10278	100.0
172.10561	3.2
178.11971	1.7
179.05583	1.9
183.13921	2.1
185.11839	3.8
187.14935	3.4
193.12440	2.3
205.15997	5.6
207.13922	2.5
209.11873	16.4
211.13425	15.4
213.12846	2.7
215.14468	8.0
221.15442	3.1
231.13872	6.2
233.15491	32.6
234.15622	1.9
235.08304	12.6
235.13362	2.1
247.13571	2.0
247.16858	1.7
249.14983	41.6
250.15283	2.9
253.09335	8.9
257.17685	1.9
273.14774	2.0
341.24796	6.1
357.24344	2.8
359.25998	3.3
367.22849	6.7
375.25308	5.2
385.23831	32.0
386.24335	4.2
403.24918	56.6
404.25262	6.5
407.19171	3.9
421.26047	18.2
477.28726	2.2
485.23825	3.0
611.34607	6.5
621.32806	87.0
622.33228	16.3
639.33948	72.6
640.33984	14.0
647.37622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36609	0.2
59.01372	0.7
61.98833	100.0
67.44763	0.2
70.15120	0.9
71.32912	0.2
86.68121	0.2
88.69942	0.2
116.92874	2.2
120.86947	0.2
129.78288	0.2
155.47241	0.2
183.41862	0.3
185.70493	0.2
187.17912	0.2
191.34221	0.2
252.84869	0.3
304.67706	0.2
419.80951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21143	1.5
57.03458	11.8
59.01384	7.8
61.98823	5.8
64.39838	1.6
69.03455	2.6
69.92667	8.8
71.01373	7.3
71.05002	1.8
72.97531	2.0
72.99310	2.3
74.83833	1.4
75.00861	1.4
81.03465	15.4
83.01389	12.9
85.02949	1.7
89.02441	4.8
93.03467	3.8
95.01388	2.7
95.05026	9.2
97.02940	8.3
99.04528	11.4
101.02457	3.6
109.02956	9.1
116.92851	3.8
119.03456	2.8
119.05073	2.5
121.02958	5.0
123.00903	2.2
123.04554	8.7
125.02459	65.7
137.01425	2.4
137.02454	48.9
139.03976	5.0
149.02426	3.7
151.03996	6.4
153.01840	2.0
155.05042	2.0
158.03728	1.7
159.04501	4.3
161.02448	4.1
163.00372	3.1
163.03987	3.6
164.01125	8.7
165.01952	22.4
167.03508	100.0
168.03841	4.3
171.04518	3.5
173.02434	2.7
174.03288	2.7
175.04007	6.8
176.57813	1.6
177.01894	8.6
179.03545	8.7
181.05043	4.2
183.04471	3.3
185.06059	3.4
187.03931	4.9
188.04782	1.8
189.05574	4.5
191.03511	2.2
195.04434	1.5
199.04005	6.4
201.05609	3.5
203.03476	3.5
205.05070	5.8
210.83784	1.6
211.03992	5.7
212.04639	2.8
213.02049	2.3
213.05536	4.0
214.02634	2.0
214.05975	2.1
215.03519	8.8
215.07101	2.1
217.04965	4.4
225.05574	2.0
227.03479	9.4
228.04195	4.5
229.01505	2.8
229.05037	13.2
231.02959	6.2
239.03549	4.6
241.05057	6.9
242.02058	2.1
243.02882	6.4
244.03552	2.1
245.04565	2.4
245.08163	2.6
247.06204	1.9
251.03465	2.1
253.05043	4.4
255.03040	19.4
256.03598	2.5
257.04636	8.5
259.06091	1.9
265.05408	1.7
267.03104	8.8
267.06061	1.7
269.04507	2.7
271.02347	2.0
271.06104	3.0
273.03986	5.7
279.02985	2.9
279.06476	2.8
280.03726	2.3
281.04556	3.9
282.01779	2.7
283.02496	5.8
283.05957	1.7
285.04114	6.8
287.05710	2.1
289.07291	9.4
295.02621	3.0
295.06097	3.4
297.04141	8.1
297.07114	1.6
298.04550	2.0
301.03281	2.4
303.05084	3.0
305.06628	5.0
307.02338	2.1
307.06320	2.0
309.03909	3.1
315.04987	11.0
323.13577	3.5
327.04959	3.1
329.06747	1.9
333.06317	4.0
337.07089	2.2
339.05008	2.2
345.06198	3.9
349.07312	2.9
361.07281	2.1
369.05914	3.0
379.08505	3.1
387.04971	2.2
389.06277	1.8
390.10205	2.6
393.06131	4.3
395.07617	4.5
405.06201	17.8
407.08066	2.4
411.07043	2.9
421.05508	3.9
423.07263	9.2
425.08716	2.5
433.05780	2.4
435.07239	5.1
437.08780	2.0
439.06299	2.5
445.05453	3.4
453.08115	8.0
458.04791	4.9
463.06699	2.8
465.08197	2.2
471.09369	12.3
483.09238	4.7
495.08972	3.8
501.10507	4.8
513.09888	2.0
545.10992	2.0
561.10248	5.9
563.12018	2.7
571.08441	3.8
579.11108	3.0
579.22894	2.4
589.09692	2.8
603.11371	4.7
607.10608	3.3
621.12616	6.0
639.13599	20.6
640.14191	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	638.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83352	0.3
57.03452	0.3
58.82995	0.3
59.01385	1.2
60.75700	0.2
61.98832	100.0
70.14044	1.0
71.01405	0.9
72.99296	0.3
73.02951	0.3
83.01395	0.3
87.00921	0.4
88.98828	0.4
89.02455	0.7
95.05080	0.2
96.72362	0.3
97.02963	0.3
101.02468	1.1
109.02972	1.0
113.02491	0.3
116.92913	0.6
119.03553	0.3
119.96268	0.3
121.02965	0.6
123.04540	0.5
125.02463	3.2
133.02950	0.4
137.02441	1.1
146.59938	0.3
149.02478	0.5
150.03290	0.3
151.04016	0.8
158.08249	0.3
161.02507	0.9
161.06096	0.5
162.03162	0.3
163.00348	1.1
164.01178	0.4
165.01958	0.9
167.03557	0.4
174.03329	0.3
175.04044	0.6
177.01988	0.7
179.28847	0.2
187.04109	0.2
189.05589	0.3
199.04056	0.3
203.07211	0.3
205.05045	0.3
217.05077	0.3
227.03650	0.3
229.05011	0.2
241.05070	0.4
243.03029	0.5
245.08087	0.5
269.04776	0.3
284.78412	0.2
285.04019	4.0
286.04565	0.4
287.05753	0.3
289.07162	3.8
301.03503	0.3
307.06232	0.5
315.04547	0.3
340.69412	0.2
395.07855	0.4
407.07895	0.9
408.08411	0.3
423.07159	3.1
423.12137	0.3
449.08704	2.5
452.07593	0.6
453.07999	0.5
539.10132	0.9
575.11932	4.0
576.12195	0.3
585.07422	0.3
637.24951	0.4
638.25818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
60.99287	0.2
61.98833	100.0
63.99268	0.2
68.55677	0.2
70.75092	0.6
71.01379	0.4
88.98817	1.1
89.02467	0.3
95.62457	0.2
101.02449	0.3
113.28255	0.2
116.92880	0.3
117.03515	0.2
119.05079	0.2
144.40729	0.2
175.04005	0.2
203.07222	0.2
222.30330	0.2
227.03444	0.3
249.15048	0.3
255.03064	0.7
271.02493	1.1
284.03372	0.3
285.04068	0.5
286.77740	0.2
300.02777	1.9
301.03537	0.2
334.15100	0.2
485.80649	0.2
489.10489	0.9
504.67999	0.2
635.14331	0.8
635.36829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.4
57.77538	0.2
59.01377	1.2
60.10602	0.2
61.56388	0.2
61.98833	100.0
69.33978	0.2
71.30111	0.3
71.30463	0.4
80.38884	0.3
89.02456	0.7
102.68130	0.2
119.03484	0.3
125.02476	0.5
137.02464	0.4
141.88673	0.3
249.33850	0.3
277.21744	1.3
313.18253	0.4
317.21265	0.9
318.21478	0.4
319.22775	0.5
323.09857	0.5
341.10974	1.1
375.33963	0.3
397.80981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11541	0.6
56.16829	0.6
57.03458	3.4
57.61164	0.7
58.00589	0.6
59.01385	7.2
60.99286	0.7
61.98835	9.6
68.99824	0.7
69.03447	1.6
71.01063	0.7
71.01398	5.0
71.63544	0.9
73.02947	0.9
75.00877	0.8
77.03966	0.7
81.03432	0.9
83.01397	5.4
83.05013	0.8
83.98408	0.6
85.02942	2.0
87.00874	0.7
88.98812	1.5
89.02442	3.2
93.03453	2.3
95.01337	1.2
97.02945	3.8
99.00871	0.8
101.02461	3.6
106.59814	0.7
108.02169	2.3
109.02959	7.7
113.02412	1.5
116.92867	1.1
119.03497	0.9
121.02959	7.6
121.89181	0.7
122.03759	9.0
123.04544	9.6
124.01673	3.1
125.02446	4.2
129.30229	0.6
135.04535	1.7
136.01645	1.4
137.02454	40.6
138.03264	1.9
139.03999	2.3
143.77795	0.6
145.03029	0.8
146.03752	0.9
147.08141	1.0
149.02461	6.0
151.03995	3.2
153.05620	0.7
154.02701	2.7
159.04475	2.7
160.05247	0.7
161.02444	1.7
161.04655	1.0
161.06064	2.6
163.04015	1.8
164.01158	7.4
165.01939	61.7
166.02266	1.9
167.03481	1.2
175.04005	1.1
177.05672	0.9
177.12752	0.8
179.03522	8.8
187.03966	2.3
191.03546	0.9
201.05530	2.3
202.06369	0.9
203.07098	4.5
205.05035	5.6
221.08167	2.9
229.05023	1.3
231.03058	1.0
244.07396	1.9
245.08061	0.8
247.06096	4.6
265.14594	3.9
267.11121	1.4
267.16046	14.8
268.16299	1.1
288.06396	4.0
289.07126	1.2
293.41022	0.7
311.12903	0.8
327.15952	2.1
387.23947	1.5
413.20090	0.9
485.20456	4.9
504.09131	0.8
577.28534	0.7
593.25946	3.0
619.23560	0.9
637.25061	100.0
638.25372	19.1
659.18988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14389	0.1
57.03426	0.1
59.01381	0.9
61.98830	100.0
62.98530	0.2
70.05898	0.2
70.06176	0.7
71.01389	0.8
73.02961	0.2
80.91685	0.2
81.03448	0.1
87.00911	0.1
88.98835	0.3
89.02457	0.5
93.74384	0.1
96.96011	0.5
101.02448	0.4
109.06576	0.1
113.02464	0.4
116.92874	0.2
125.02484	0.3
136.05247	0.2
137.02556	0.1
199.13412	0.2
299.20056	0.1
569.30029	0.3
572.31763	0.3
614.39575	0.2
633.34686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
61.98824	16.2
78.95894	2.0
92.28250	1.1
96.00751	1.2
101.02441	1.1
105.01926	1.2
107.46628	1.4
109.21184	1.1
121.02952	1.5
133.05022	1.7
165.09148	2.1
213.50734	1.0
226.91762	1.1
233.15457	100.0
234.15869	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	633.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
61.98824	16.2
78.95894	2.0
92.28250	1.1
96.00751	1.2
101.02441	1.1
105.01926	1.2
107.46628	1.4
109.21184	1.1
121.02952	1.5
133.05022	1.7
165.09148	2.1
213.50734	1.0
226.91762	1.1
233.15457	100.0
234.15869	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	633.51
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77092	4.0
54.53495	3.8
61.98838	11.7
67.03352	3.5
71.62442	4.6
78.95902	11.6
96.96964	7.1
114.86539	3.5
154.04895	3.7
255.23311	6.0
303.23264	100.0
304.23706	9.3
497.97168	4.0
528.76508	3.8
601.42950	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	632.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92767	0.7
59.01373	3.0
61.98833	8.9
63.73635	0.7
69.57478	2.7
69.57901	2.4
69.68813	0.7
70.22806	0.7
71.01380	2.6
82.02988	0.9
89.02451	1.8
92.40416	0.8
109.02940	1.5
110.00106	0.7
113.02452	1.2
119.03463	0.9
119.05050	0.8
121.02932	1.3
123.04504	2.7
124.01653	2.2
124.81071	0.7
125.02450	2.7
137.02444	3.7
148.01660	2.0
149.02454	3.0
150.03224	20.6
151.04013	33.2
151.05235	1.6
152.04326	1.7
156.51711	0.8
161.02480	1.5
163.00333	0.8
163.04021	11.0
164.01199	1.8
165.01958	1.8
175.04062	1.4
176.01132	23.0
177.01851	3.4
189.95883	0.8
193.04799	0.8
194.02193	24.9
195.02823	3.4
200.07127	1.0
202.08800	1.9
205.05064	1.0
220.09784	3.4
230.04655	1.1
246.07700	2.5
268.72061	0.8
289.06952	2.8
339.07205	10.7
357.08258	27.2
358.08578	1.7
434.10538	0.8
452.11905	2.5
454.09891	1.1
469.12250	2.9
632.18298	100.0
633.18921	12.9
662.32977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	2.9
59.01091	3.4
59.01380	65.3
60.28275	2.0
61.98834	100.0
71.01385	61.9
72.99291	5.4
73.02959	13.3
75.00849	2.4
78.95849	2.1
79.92996	1.9
83.01382	3.7
83.05016	2.1
85.02944	9.3
87.00882	3.4
87.62986	2.1
88.98796	4.7
89.02446	97.0
95.83981	2.0
96.95989	2.9
99.00877	9.1
101.02448	47.5
113.02487	14.5
116.92838	4.1
119.03486	7.3
125.02434	6.8
131.03500	31.2
149.04562	94.2
150.04910	2.3
151.04054	2.1
154.55286	2.4
161.04558	3.9
191.05606	18.8
197.68547	1.9
200.18065	2.1
201.11325	10.8
205.04945	2.9
211.13403	5.8
221.06662	2.3
251.07562	3.6
255.08797	2.3
311.10059	4.9
352.27557	2.2
571.30957	2.9
631.27264	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36482	1.5
55.01868	2.0
57.03445	2.9
58.00609	1.9
59.01386	43.7
60.99302	1.5
61.98837	100.0
62.98550	1.5
71.01388	37.9
71.63345	2.2
72.99301	3.7
73.02942	6.0
75.00874	5.6
78.95928	2.3
81.03477	2.3
83.01402	4.0
83.05016	1.5
85.02949	10.9
87.00870	2.7
88.98824	8.4
89.02445	41.9
90.53012	1.7
94.06619	2.0
95.01412	2.5
95.04999	1.4
96.96015	4.7
97.02964	2.7
99.00876	6.3
99.02267	1.3
99.92557	1.9
101.02456	29.8
109.02922	3.2
110.06123	2.1
111.00903	2.5
112.98482	1.8
113.02476	12.0
116.92884	3.3
119.03511	9.7
120.05846	8.3
120.08198	18.6
121.02985	2.2
121.05283	2.4
122.06141	32.1
123.04517	2.3
123.06519	1.5
125.02482	7.9
129.01961	1.8
131.03491	10.4
134.06079	1.5
135.04619	1.4
135.08165	29.5
136.07632	2.6
136.08600	1.6
137.02426	5.6
143.03540	1.9
144.04543	1.9
149.02518	2.1
149.03481	2.3
149.04559	30.2
150.03130	1.4
150.09312	1.9
151.03996	2.5
151.07623	3.7
155.10735	2.2
161.04588	7.1
164.01044	1.3
165.01978	3.1
166.02699	2.6
167.03525	2.8
174.05617	3.5
179.05618	7.1
179.10815	1.3
190.02844	1.7
191.05653	4.3
203.05824	3.4
205.05084	1.6
223.08638	1.9
225.42670	1.6
229.05019	1.5
230.85135	1.6
237.10324	2.7
239.11639	1.8
241.13594	1.9
250.11295	1.5
251.11966	12.8
258.05115	1.5
263.08368	3.0
263.11740	2.9
264.09045	2.7
265.07108	2.2
265.09726	1.7
265.13373	2.1
268.16769	1.6
276.09158	2.0
277.09799	14.5
278.10468	4.1
279.11319	3.4
283.10846	2.4
285.12109	1.6
289.07083	3.3
291.11447	16.8
292.12161	17.6
293.12927	13.1
294.13416	1.9
295.11111	1.6
305.78452	1.5
311.09885	1.7
315.25406	2.1
319.10651	1.7
324.11221	3.4
335.10443	5.6
336.11227	7.5
337.11877	3.8
337.19098	2.3
358.15729	2.8
360.17093	2.6
372.17307	6.5
374.18680	2.1
386.14981	2.1
390.18289	2.5
396.08600	3.7
402.17999	2.1
414.18100	4.4
415.19104	3.6
418.17682	4.1
432.19257	9.6
433.19806	2.0
436.18652	3.2
439.26941	3.9
451.33932	2.0
458.17514	2.0
459.17719	2.9
469.16226	19.3
476.18353	15.5
477.18979	6.3
477.30701	27.2
478.19879	1.9
478.31073	2.0
490.19830	2.1
508.20941	40.9
509.21436	5.6
533.11163	1.6
537.25018	7.7
553.30432	2.7
555.26239	10.5
556.26074	2.3
571.31299	13.3
581.24103	5.5
599.25073	45.7
600.25391	8.6
613.26721	3.7
613.39160	7.6
630.39832	2.7
631.27728	39.5
631.40210	13.9
632.28217	7.4
632.40662	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	631.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78178	0.9
53.24651	0.8
59.01376	2.3
61.98837	12.5
62.56903	0.8
64.13216	0.9
70.45365	0.8
73.02954	4.4
75.00873	3.5
88.64009	0.7
94.60051	1.0
99.00872	2.0
99.92583	12.4
100.92570	0.9
101.25203	0.8
102.47255	0.8
105.86330	0.8
111.00946	0.9
114.05630	1.2
115.00397	1.0
115.03998	1.0
116.03542	1.2
116.07202	2.1
116.92860	100.0
116.97240	1.3
117.01964	8.9
117.05620	2.3
117.92866	4.4
190.29451	0.8
229.87790	1.0
500.09985	0.9
631.29974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70442	1.2
53.37282	1.0
57.03436	1.9
57.94478	1.0
58.00592	1.8
58.67299	1.1
59.01380	42.7
61.98835	57.7
69.03462	2.3
69.41203	1.3
71.01390	38.7
71.01780	3.3
72.99310	3.6
73.02953	16.4
73.04068	3.0
73.19977	1.4
74.99099	3.7
75.00880	1.8
75.88697	1.4
83.01397	6.6
83.02475	1.1
83.69019	1.3
85.02950	9.3
87.00888	5.6
88.98814	7.1
89.02445	29.8
95.01385	2.8
95.02482	1.8
95.05070	1.3
96.94411	1.2
96.96020	2.2
96.97016	1.3
97.02953	8.6
99.00881	4.0
99.01965	1.6
99.04501	1.5
101.02443	37.7
101.03078	2.5
105.58601	1.1
109.02950	1.8
112.05223	2.1
113.02448	12.4
113.03577	2.2
115.04018	3.6
116.44493	1.2
116.92848	2.2
119.03497	7.9
120.05810	4.7
121.02949	1.9
123.04600	1.9
125.02473	6.1
129.02017	1.4
129.10333	5.3
130.06201	4.6
131.03505	10.0
135.08173	13.6
137.02451	5.4
138.03215	1.8
139.08791	1.9
139.11229	1.5
143.03505	5.6
149.04567	13.7
151.00328	1.2
151.03967	2.5
151.08784	2.8
153.09207	1.9
155.08257	2.9
156.61545	1.2
161.04558	37.7
163.03979	1.6
163.06097	2.6
165.01936	2.8
166.02695	3.5
167.03448	2.8
168.11392	2.6
169.07336	2.1
169.09857	4.5
175.00511	1.6
175.04047	1.6
177.01764	1.2
179.03427	2.8
179.05612	14.0
186.12486	5.4
187.08348	3.8
190.02728	2.1
191.05632	3.4
197.11743	1.2
202.06355	1.1
205.05052	1.7
207.15157	1.5
209.11830	2.5
221.06848	1.5
225.13564	5.0
229.05072	2.0
242.18797	1.6
243.14577	8.1
251.62825	1.4
258.05429	2.3
263.07709	4.8
281.19870	4.5
285.03894	1.3
289.07205	1.7
299.20926	5.4
300.16821	1.9
315.25449	1.4
340.16074	1.6
356.22861	1.3
357.18845	3.4
396.22485	6.7
413.25357	6.5
469.31238	1.8
477.30698	11.3
566.33063	100.0
571.31342	2.9
578.32928	2.5
596.34064	3.8
613.39233	5.4
631.31952	2.3
631.41589	18.2
632.31915	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	631.2395
Annotation	C18154
Peak:m/z	Relative Intensity
57.03444	1.5
58.00602	1.0
59.01383	16.0
61.98832	38.1
62.09438	0.6
68.99577	1.6
69.03463	1.2
69.44025	2.9
69.44452	3.2
71.01382	10.5
72.99293	1.5
73.02940	1.4
73.90594	0.7
74.99094	1.2
79.92106	0.7
83.01395	3.8
85.02941	2.7
87.00870	1.2
88.98803	1.3
89.02451	7.0
93.03455	2.7
95.01388	1.7
95.05026	0.9
96.95999	1.6
97.02959	3.5
98.20643	1.2
101.02456	7.7
108.02177	2.3
109.02975	7.7
109.62015	0.7
111.00851	1.6
113.02454	3.1
116.92863	1.9
119.03510	1.7
121.02962	3.2
122.03761	5.0
123.04549	6.5
124.01664	2.6
125.02441	3.2
133.02991	0.7
135.04501	1.8
136.99138	1.0
137.02452	23.2
138.03111	1.2
139.04010	1.4
146.03719	0.9
147.04572	0.7
149.02481	3.6
150.03220	3.5
151.00362	1.2
151.04001	5.5
153.01826	0.9
154.02682	1.6
159.04524	1.5
161.02441	3.6
161.06064	2.3
162.03221	1.8
163.00505	0.8
163.04042	2.7
164.01205	4.3
164.04778	1.3
165.01939	29.6
165.05576	2.5
166.02573	1.7
175.03981	2.5
176.04834	0.8
177.01839	0.8
178.09827	0.7
179.03491	4.3
179.10765	0.9
180.04132	0.8
181.05032	5.2
183.10234	1.2
187.04073	1.6
189.05502	1.0
190.02690	1.1
194.05939	1.1
195.06587	2.1
201.05511	1.0
203.03593	0.8
203.07140	3.0
205.05052	4.5
209.08139	1.4
214.78464	0.8
231.02863	1.2
244.07391	1.8
245.08046	1.5
267.10300	1.7
269.11819	3.1
281.11786	1.4
285.04172	0.9
287.13016	1.8
288.06311	3.4
289.07129	2.1
295.09653	3.9
309.11246	2.8
323.13199	0.9
355.24823	2.4
371.24490	0.8
373.26022	6.6
374.26062	0.8
415.27017	0.9
433.16629	7.6
434.16858	1.0
451.17496	1.6
479.19302	7.4
587.25214	1.5
595.27350	1.1
613.22815	3.8
631.23981	100.0
632.14398	1.2
632.24310	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	629.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03432	0.8
59.01383	6.2
61.98833	11.3
63.44372	0.3
69.38348	3.1
71.01385	4.5
72.99313	0.7
73.02937	1.8
75.00890	0.4
83.01377	1.0
85.02954	2.7
86.00088	0.8
87.00875	0.9
88.98812	0.7
89.02454	1.3
90.28243	0.3
91.45590	0.3
93.03471	0.4
95.01382	0.3
96.96046	0.6
97.02991	0.4
98.20683	0.7
99.00880	0.9
101.02458	3.8
107.08672	1.4
108.02173	0.4
109.02958	0.4
111.00896	0.6
111.04508	0.4
113.02479	1.6
116.92881	0.5
119.03493	0.4
121.02969	5.5
122.03716	0.7
123.04534	5.4
123.08176	0.6
125.02506	0.8
133.06599	1.2
135.04561	0.8
135.08165	0.3
136.05309	5.1
137.02446	0.3
137.05609	0.3
139.04086	0.4
149.02431	0.6
149.04436	0.4
149.06068	1.2
151.04027	0.6
151.07651	11.2
152.07932	0.5
153.05566	0.7
161.04535	0.4
162.01070	0.3
164.04816	0.5
165.01894	0.4
165.05518	0.4
166.99828	0.4
167.07118	0.7
168.04263	1.1
169.01492	0.4
174.25491	0.4
179.03496	1.2
181.05193	0.3
182.02092	0.5
194.05812	0.7
197.04543	3.1
198.04791	0.4
209.08293	0.8
285.03845	0.6
288.06091	0.4
301.11957	0.3
322.29239	0.3
449.32642	0.9
467.33786	7.2
468.33997	1.0
469.35468	0.5
477.29642	0.4
611.38098	1.4
629.39056	100.0
630.39417	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62569	0.2
59.01372	0.3
61.98831	100.0
62.98537	0.2
69.41554	1.2
69.41965	0.4
71.01402	0.2
88.28289	0.2
98.20657	0.4
107.81451	0.2
108.46756	0.2
113.12631	0.2
125.02500	0.3
125.13389	0.2
137.02441	0.3
151.04036	0.2
257.15262	0.2
260.82874	0.2
289.07138	0.2
379.81467	0.2
631.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62569	0.2
59.01372	0.3
61.98831	100.0
62.98537	0.2
69.41554	1.2
69.41965	0.4
71.01402	0.2
88.28289	0.2
98.20657	0.4
107.81451	0.2
108.46756	0.2
113.12631	0.2
125.02500	0.3
125.13389	0.2
137.02441	0.3
151.04036	0.2
257.15262	0.2
260.82874	0.2
289.07138	0.2
379.81467	0.2
631.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11672	0.6
57.03442	1.1
59.01379	8.0
61.98835	21.8
69.03448	1.2
71.01382	4.5
71.62868	1.1
72.99308	0.8
73.02944	1.0
78.66529	0.8
78.95906	1.3
81.03467	2.0
83.01400	6.1
85.02960	1.9
87.00871	1.2
88.98835	1.1
89.02438	1.8
91.88657	0.6
93.03460	3.5
95.01411	1.4
95.05048	1.3
96.00873	0.6
96.96019	4.0
96.96989	1.1
97.02961	5.5
97.23560	0.6
101.02469	1.8
108.02184	8.2
109.02310	1.0
109.02976	18.8
109.58446	0.7
110.03235	0.8
111.00878	2.0
113.02467	0.9
117.03457	1.0
119.05013	0.8
120.99740	0.8
121.02977	5.3
122.03708	2.4
123.00882	2.6
123.04548	16.1
124.01683	2.4
125.02453	11.0
133.02956	1.2
135.04550	3.4
137.02457	7.2
138.03148	0.7
139.04039	3.5
145.02954	1.9
146.03738	1.8
147.04539	0.9
149.02466	7.3
149.99590	2.2
150.03174	2.0
151.04018	8.1
152.01176	1.7
153.01831	1.9
159.04497	2.7
160.04033	0.7
160.05304	1.6
161.02393	3.2
161.06076	7.2
162.03224	2.1
162.06853	4.3
163.04036	8.9
163.07649	5.1
164.01205	2.0
165.01965	5.1
165.05626	3.4
168.00621	3.1
169.01137	1.4
170.01024	0.8
172.05289	0.7
173.06049	1.4
175.03984	4.8
175.07622	1.3
177.05591	2.3
177.09209	3.6
179.03517	3.2
181.05069	0.8
185.06097	1.9
186.06786	2.7
187.03984	5.0
187.07683	1.9
188.04787	4.4
189.05504	1.5
195.06602	1.1
196.06845	0.7
199.07642	1.3
199.09386	0.7
201.05586	1.5
201.09181	2.3
202.02684	1.7
202.06366	1.7
203.03493	5.2
203.07135	9.4
204.04219	1.5
204.07639	0.9
205.05055	13.3
206.05385	0.8
213.05632	1.0
217.05147	1.1
221.08270	0.8
227.07173	1.7
229.05124	2.5
230.05786	1.2
231.03058	1.9
241.08679	1.9
242.09340	1.0
243.10257	1.2
243.12418	1.0
245.08173	8.2
247.06149	3.7
255.20424	0.8
269.04788	0.7
269.08115	0.9
271.06378	1.1
285.07474	1.1
287.09216	1.6
289.07205	43.8
290.07455	3.2
299.09326	1.4
305.11368	0.8
315.06241	1.0
327.08719	7.6
328.09140	1.4
329.10773	0.7
331.06778	1.0
333.07175	0.9
341.10272	2.8
345.09836	1.3
359.15076	2.0
361.15668	1.4
365.13754	1.0
383.14877	0.8
407.15176	1.9
409.17645	1.1
451.13998	100.0
452.14264	11.0
479.15836	1.0
507.15289	1.9
575.53644	0.8
631.13074	5.0
631.22278	10.9
632.20795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86538	1.9
55.01865	3.1
57.03449	3.1
58.00620	3.8
58.94708	1.7
59.01385	95.6
61.98516	3.8
61.98838	74.5
66.97947	1.5
67.75668	1.6
69.27164	1.6
69.85275	9.3
71.01391	79.6
72.99306	5.7
73.02953	19.1
75.00877	2.8
78.91894	4.8
83.01392	7.6
85.02948	21.3
87.00880	5.6
88.73837	1.6
88.98815	5.8
89.02454	100.0
95.01399	3.5
95.04995	1.7
97.02945	3.9
99.00887	11.5
99.04499	2.3
101.02449	63.9
103.24433	1.6
109.02990	2.2
113.02461	24.8
119.03505	22.5
121.02951	5.3
123.04523	4.4
123.08169	2.5
125.02457	7.4
131.03508	26.1
135.08159	4.3
136.05315	9.4
137.02495	2.6
137.09773	2.1
143.03529	4.6
149.04568	84.1
151.04095	2.1
151.07654	47.6
152.04765	2.4
161.04547	8.6
164.04724	2.5
165.01933	2.2
168.00641	2.2
171.93742	1.8
179.05652	12.8
191.05612	11.9
195.57988	1.9
195.60861	1.8
197.04584	5.6
205.04970	2.2
209.11827	1.8
251.07744	4.7
255.11299	2.9
255.16133	2.7
285.04092	4.8
293.08798	3.8
311.09869	5.3
437.25461	30.0
437.31091	2.7
438.25339	3.8
449.32800	2.7
467.33820	5.4
475.28900	2.1
554.86896	2.0
569.29669	90.5
570.30096	10.1
593.11591	2.3
611.22937	3.7
611.37939	29.1
611.46924	2.6
612.39142	2.3
628.37708	2.0
629.28369	5.7
629.39136	97.4
630.39734	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	629.2245
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
50.48555	1.0
57.03439	1.6
58.00577	1.3
59.01382	7.7
61.06120	1.1
61.98835	100.0
67.01890	2.0
68.99813	1.4
71.01392	5.9
71.63748	1.2
73.02962	2.0
75.00910	1.3
78.95879	2.1
83.01377	3.0
83.05024	1.6
85.02953	2.4
85.43771	1.3
88.98801	5.3
89.02425	3.5
93.03443	4.0
95.01376	5.5
96.95993	2.9
97.02969	2.2
98.04531	1.2
101.02454	6.3
108.02184	2.6
109.02940	5.7
111.00874	2.7
112.98837	1.4
113.02428	3.1
119.03433	1.6
119.05037	1.8
121.02943	7.4
121.10213	4.7
122.03769	9.3
123.00926	8.8
123.04504	3.9
124.01640	3.5
125.02424	5.9
133.02962	2.3
134.77414	1.2
135.04515	3.5
136.01646	2.7
136.05225	1.4
136.98816	1.9
137.02452	11.3
138.03220	6.0
139.00371	9.2
139.03989	4.9
145.02934	1.8
147.04582	7.2
149.02460	20.1
150.03242	65.9
151.00369	16.7
151.04047	7.2
151.07590	2.0
152.01112	1.4
153.01941	6.0
153.05527	4.0
154.02753	1.9
155.03445	1.2
159.04480	5.1
161.02441	2.9
162.03188	5.0
163.03998	3.8
164.04791	4.4
165.01881	5.4
165.05573	62.9
165.09238	2.1
166.02718	44.4
166.05881	2.6
167.03340	1.9
168.00728	1.3
175.04039	8.2
176.01111	2.8
177.01889	5.7
177.05531	4.9
178.02628	3.3
179.03461	1.8
180.04227	7.6
181.05063	70.4
182.05310	2.5
183.10298	8.0
189.01846	1.8
189.05608	1.8
190.02669	2.5
191.03520	11.7
192.04279	6.7
193.05046	7.0
195.06618	22.9
196.06863	1.8
197.68800	1.3
203.03506	24.7
204.04137	2.3
205.05023	5.0
205.08719	1.3
207.06584	6.6
211.06067	2.5
217.04985	1.3
218.05855	23.0
219.02675	1.2
219.06487	3.4
221.04591	6.8
221.08080	1.5
223.06068	1.8
233.08179	33.9
235.06079	5.3
236.06863	17.6
239.07246	1.4
251.09239	66.6
252.09625	3.5
273.40265	1.5
284.03412	1.3
285.03955	2.5
301.20111	1.9
309.03931	1.7
329.10095	1.8
353.23218	1.3
355.08054	2.3
357.09784	3.0
358.10406	4.3
359.11362	1.7
371.24371	10.1
373.13000	10.2
379.70935	1.3
385.12958	2.1
403.14038	4.1
416.10873	2.3
417.11655	2.8
418.12704	1.7
431.13455	4.0
432.13919	3.7
433.14966	28.2
434.15350	2.8
467.26395	4.3
551.15771	1.7
581.20367	15.2
582.20319	2.8
611.21417	2.4
629.22296	92.2
629.32660	3.6
630.22534	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.0
61.98833	60.1
71.01392	14.7
71.57021	2.1
71.63763	2.6
73.02953	4.3
75.00887	5.8
82.02984	10.1
83.01379	5.7
85.02931	2.7
87.00860	4.8
89.02456	9.2
95.01418	3.0
96.96007	5.8
97.02963	3.0
101.02441	11.0
108.02175	10.2
109.02968	15.1
111.00867	5.3
113.02476	4.1
119.03447	2.7
121.02979	14.4
123.00855	6.1
123.04513	10.4
123.53289	2.4
124.01674	3.9
125.02442	14.5
137.02428	10.8
138.05582	4.9
139.28673	2.3
148.68996	2.2
149.02426	7.0
149.99568	6.4
151.03992	7.0
152.01170	6.4
153.01990	3.7
161.02362	3.5
161.04605	4.1
161.21768	2.6
162.03157	3.3
162.05614	2.9
164.03561	4.8
165.01915	11.1
165.04027	4.3
165.05429	2.7
167.03416	3.8
168.00633	11.3
169.01558	2.7
169.94183	2.8
177.01878	3.5
179.03419	3.5
189.79279	2.7
197.04532	4.2
202.08830	3.5
205.04971	3.1
215.04720	3.1
215.07108	5.5
216.06812	5.7
217.02504	8.7
217.06163	6.7
218.06654	2.6
229.06123	3.5
230.06966	3.3
231.07675	9.6
232.08449	5.4
233.09360	9.3
241.06178	6.2
242.03278	3.8
243.04128	23.5
243.07735	3.2
244.04962	13.4
244.09784	7.9
245.09215	4.1
248.09189	5.2
249.05423	5.0
249.07939	25.3
256.05087	5.9
257.05630	19.0
258.06467	5.5
259.07233	82.3
259.10507	4.8
259.10950	4.4
260.07346	5.9
269.09305	6.0
271.07266	22.1
285.04678	3.4
285.08765	10.1
287.10352	57.2
289.07135	30.4
291.09906	22.7
299.58850	2.6
301.07227	9.5
302.05457	5.0
303.09622	3.1
313.04819	4.5
313.08325	85.5
314.08554	5.2
315.07056	6.0
316.07068	5.9
317.07840	12.4
329.11441	4.7
331.06567	5.1
331.09546	33.6
335.08704	6.0
339.06296	4.0
339.10748	5.4
345.10870	13.3
345.37695	2.7
349.10394	14.8
371.08765	11.6
373.10419	4.1
375.08246	13.3
389.09467	4.4
407.10938	100.0
407.16388	4.8
408.11172	8.4
449.12549	4.3
451.13666	2.8
477.11505	8.5
479.13306	5.9
509.14053	68.0
510.14578	6.0
539.15179	9.6
553.16315	4.6
579.14667	7.2
597.15576	35.1
614.53845	3.1
629.18042	38.6
630.18970	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	629.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78163	1.1
52.98151	0.8
55.34069	1.2
59.01366	4.4
69.03443	1.4
69.62836	3.6
69.63261	3.0
71.01379	1.6
75.54062	0.9
83.01400	1.1
85.02945	2.2
93.03371	1.3
95.01385	1.6
107.01363	1.1
107.34327	0.9
108.02174	16.6
109.02987	10.0
123.00884	7.7
124.01669	12.3
125.02453	19.7
128.07884	1.0
137.02422	4.6
140.95500	1.1
149.02422	2.8
149.99593	20.3
151.00334	2.5
151.03984	1.3
152.01155	23.2
153.01958	15.1
165.01906	1.8
165.05554	1.7
166.99821	1.0
167.03503	1.4
168.00641	43.4
169.01358	7.8
173.41687	1.2
195.06587	3.4
211.02461	1.6
218.79950	1.2
313.05841	7.1
315.07227	14.1
316.07474	1.4
327.53418	1.1
331.06668	25.2
359.14932	4.3
407.17276	2.2
444.93015	1.1
629.13550	100.0
630.13849	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	629.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46891	1.3
52.58794	1.6
57.03445	4.7
59.01379	19.8
61.98837	8.8
69.03468	1.5
69.08858	1.5
70.37823	1.9
70.38171	4.8
71.01378	14.8
74.86958	1.3
81.03438	2.4
83.01398	4.5
85.02953	2.7
89.02435	15.6
95.01376	2.2
97.02924	2.6
101.02450	9.3
109.02950	13.0
111.04507	2.6
113.02467	5.7
119.03506	4.9
121.02953	2.0
123.00877	4.7
123.04528	4.0
124.01650	3.3
125.02451	73.7
126.02782	2.4
137.02441	27.2
139.04028	15.6
149.02470	2.7
151.03989	3.0
155.14954	1.7
159.04375	2.0
159.96933	1.7
161.02383	4.4
161.04549	2.0
164.01141	6.3
165.01944	15.8
166.02647	2.0
167.03506	16.1
173.64035	1.4
175.03970	4.3
177.01895	2.7
177.05589	2.4
179.03481	13.9
179.05717	1.7
204.04219	4.6
219.06607	11.2
221.04591	5.4
249.05161	1.4
249.31406	1.7
261.07645	3.9
269.04892	1.9
289.07187	3.6
305.06668	100.0
306.07010	6.3
313.08185	2.5
323.13455	53.5
324.13858	3.5
423.07074	3.4
441.08179	3.3
545.75800	1.8
569.27271	3.1
575.12109	1.7
629.20728	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	627.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
56.29236	0.5
57.03450	1.5
59.01379	6.2
61.98832	21.2
69.03453	0.6
71.01387	6.5
71.63068	0.6
72.99327	1.1
73.02946	2.5
82.51540	0.5
83.01390	1.7
85.02962	4.0
87.00864	1.0
88.98795	0.9
89.02437	1.6
95.01366	0.9
95.88505	0.5
97.02969	0.6
99.00883	0.8
101.02438	5.7
109.02962	1.3
111.00854	0.8
111.04520	0.7
113.02433	2.0
116.92814	0.6
120.05784	1.2
121.02950	3.1
122.03790	1.1
123.04519	7.4
125.02447	2.3
131.90204	0.6
133.06566	0.9
134.03664	0.5
135.04538	1.9
135.08173	4.2
136.05301	9.4
137.02432	2.0
149.02458	1.2
149.06058	5.5
150.03226	1.1
151.07646	11.7
161.04588	0.9
164.04851	0.7
165.05562	1.2
166.02702	1.4
167.07092	1.8
168.04269	1.3
179.07112	0.7
181.05096	1.7
193.05209	0.7
263.16379	0.9
277.12891	1.3
307.19128	1.4
346.65359	0.6
349.19489	1.0
349.23810	20.8
350.24069	1.4
417.15439	1.2
447.31314	1.1
465.32336	5.3
466.32535	1.1
516.48779	0.6
565.20776	3.8
566.20874	0.9
600.97217	0.6
609.37054	1.3
627.37500	100.0
628.37933	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	32.6
61.98820	8.5
71.01384	16.7
73.02959	3.4
75.39027	2.2
78.95908	7.7
84.29861	2.3
85.02930	2.4
87.00865	2.3
89.02431	8.0
101.02426	3.4
102.44704	2.2
113.02427	6.2
118.71281	2.4
119.03520	3.3
134.03743	11.9
149.06126	14.2
255.23312	100.0
256.23685	7.4
269.24832	23.7
270.25311	2.5
279.23187	2.8
292.50162	2.5
297.24335	5.1
311.11401	15.9
426.74432	2.3
627.42725	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.21
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.12946	0.3
55.15511	0.3
59.01370	0.9
61.41622	0.3
61.98817	1.1
68.95759	0.3
71.12138	0.6
73.02944	1.1
83.00011	0.3
92.87618	0.3
194.85365	0.3
200.71709	0.3
437.12503	1.1
438.13171	1.8
450.12918	0.4
451.13809	1.6
452.14758	4.0
453.14920	0.8
465.16013	0.9
466.16016	1.0
467.17023	0.3
469.11484	0.7
479.17365	0.6
480.14224	0.6
481.15063	9.3
482.15155	1.6
484.13913	0.5
493.15302	1.7
494.15942	1.1
495.16760	16.9
496.17142	3.6
507.15863	0.4
508.17761	3.2
509.18658	2.0
512.13538	1.2
519.16669	0.3
521.14673	1.0
522.15564	0.6
523.16431	1.1
523.19415	1.2
526.14850	1.2
533.18225	0.8
535.16217	2.4
536.16907	3.0
537.17120	0.7
539.15576	0.6
540.17029	3.5
544.98462	0.3
551.19373	44.3
552.19684	8.2
553.17322	0.6
554.17426	1.0
555.19055	1.7
567.18927	0.5
568.16376	1.0
572.15460	3.4
583.22546	0.6
586.17285	2.6
587.17670	0.6
595.18420	9.3
596.18701	2.2
627.20966	100.0
628.21265	23.6
628.29401	0.3
640.17822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98831	77.5
71.64236	15.9
75.57615	9.9
88.17751	11.2
111.08199	14.1
129.83105	13.6
149.66766	11.8
235.64854	10.4
277.21738	33.6
279.22952	12.0
518.70984	12.9
582.56793	13.1
627.43854	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	627.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89870	1.0
59.01381	3.4
59.36010	0.9
61.98838	12.1
62.22695	1.0
62.96986	1.1
65.12601	1.1
68.81007	0.9
69.38858	2.4
69.39265	6.5
69.87081	1.0
71.01385	3.4
72.99315	1.8
73.02945	2.4
85.02963	1.5
87.00887	1.5
97.02962	1.5
101.02449	4.2
109.02924	1.8
113.02505	1.4
125.02468	2.8
137.02466	1.6
150.05655	2.7
153.01965	1.2
165.01942	4.4
175.02472	1.1
179.03616	1.0
180.04292	2.2
195.06718	3.4
198.05611	1.5
210.05496	1.1
210.99184	0.9
225.07765	2.4
226.05252	2.7
227.06029	1.7
228.06653	6.9
240.05420	1.8
240.10178	1.7
243.07744	5.8
253.09680	1.4
255.07797	1.9
256.06097	3.0
256.09824	2.9
257.06937	4.3
257.09335	1.3
258.06415	7.8
265.09869	1.3
267.07816	5.8
267.11362	4.2
268.09747	2.0
271.11017	1.8
272.04013	1.2
273.08838	19.7
281.09464	3.2
283.10916	10.2
285.12479	2.7
286.10831	9.2
289.07248	2.6
293.09332	2.4
295.07324	3.0
296.07993	6.2
299.10425	4.0
301.11893	8.4
311.10397	16.7
329.11429	100.0
330.11621	7.8
337.09201	1.5
373.10440	29.3
374.10718	3.3
387.12036	3.3
405.13040	52.6
406.13254	4.2
415.11346	9.3
447.14096	31.0
448.14374	4.3
475.13327	1.9
505.14511	3.2
507.16208	6.7
537.17743	6.6
627.19330	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	626.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98831	100.0
71.01403	0.3
71.64247	0.3
85.03008	0.4
85.04597	0.3
88.98862	0.3
96.96028	0.8
96.96986	0.4
275.09802	0.3
289.65292	0.3
290.48227	0.3
336.43604	0.3
464.21756	0.9
499.31458	0.3
573.70941	0.3
627.37512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1419
Annotation	8-Hydroxyluteolin 8-gentiobioside
Peak:m/z	Relative Intensity
59.01366	2.9
61.98812	3.2
63.02362	0.9
63.56499	0.8
65.00331	1.1
71.01371	3.4
71.64159	0.9
71.64500	0.8
83.01408	1.8
89.02431	4.0
99.08324	0.9
100.01652	1.1
101.02443	3.2
107.01417	4.1
108.02174	1.6
109.02956	2.3
111.00880	1.3
113.02422	1.2
121.02927	2.9
125.02418	3.6
133.02895	0.8
137.02409	1.8
148.01668	0.8
151.00372	14.5
151.03998	1.5
153.05589	0.9
155.62923	0.8
163.00284	2.4
164.01167	1.4
169.01393	0.9
175.03973	1.0
177.01891	1.0
178.99841	9.1
184.01088	0.9
188.48087	0.8
193.01465	1.7
199.03969	2.0
203.03499	1.3
209.04372	1.1
215.03442	1.2
223.05959	1.2
226.02690	2.8
227.03432	3.0
243.02953	12.6
244.03439	1.6
254.02138	2.3
255.02974	27.1
256.03250	1.8
271.02472	61.5
272.02997	5.5
272.05548	0.9
273.03970	2.0
299.01804	3.1
300.02744	93.4
301.03458	33.0
302.03598	1.4
316.02283	6.2
317.02954	2.1
400.10049	2.5
403.11218	0.9
410.75671	1.0
463.08878	5.7
522.69183	1.0
607.17035	1.4
625.14020	100.0
626.14490	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	626.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53313	0.2
57.03463	0.3
61.98833	100.0
62.99245	0.2
63.03453	0.2
81.03456	0.2
83.01405	0.6
88.98788	0.2
95.05045	0.2
97.02948	0.4
98.19848	0.8
98.73293	0.2
99.04498	0.2
103.38133	0.2
107.97600	0.2
109.02988	0.3
110.07987	0.2
125.02464	2.5
137.02452	2.9
151.04010	0.4
161.02585	0.2
164.01244	0.3
165.01961	0.9
167.03534	1.2
177.37422	0.2
179.03522	0.4
181.05132	0.4
189.05641	0.2
194.85335	0.2
200.80145	0.3
201.05637	0.6
202.02977	0.2
211.04001	0.3
213.05589	1.0
215.03574	0.4
217.05058	0.2
225.05557	0.2
229.04987	1.1
231.06758	0.3
240.04015	0.3
241.05069	4.0
243.02931	0.5
253.05122	0.5
257.04498	1.6
269.04559	1.3
281.04578	0.4
337.07080	0.2
379.08371	0.6
389.06870	0.6
395.07855	0.6
397.09470	0.5
407.07690	1.0
419.08109	0.3
425.08960	1.3
516.39624	0.2
545.11206	0.4
563.11908	9.9
564.12054	1.7
627.27765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98832	100.0
65.19749	0.2
69.61187	0.9
69.61603	0.3
71.01391	0.4
73.02958	0.2
74.75744	0.1
83.01373	0.2
85.02959	0.3
88.98817	0.4
89.02468	0.4
97.03011	0.2
99.04529	0.2
101.02451	0.5
109.02953	0.2
121.02967	0.2
125.02464	0.7
137.02464	0.3
149.02477	0.2
161.04572	0.3
165.05486	0.1
205.05157	0.2
227.03525	0.3
255.02966	0.5
256.03488	0.4
267.10831	0.8
268.11288	0.2
271.02530	0.3
284.03259	0.3
285.04053	0.7
286.04404	0.2
299.01944	0.2
300.02521	0.5
315.05136	0.6
316.05576	0.5
373.26001	0.8
374.26321	0.9
375.27475	0.3
624.14368	0.9
625.34619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04477	4.6
57.03456	21.6
66.49043	4.9
70.57087	14.4
77.84193	5.7
81.03466	20.7
83.01391	14.5
91.44160	5.1
93.03400	5.9
95.05007	10.9
97.02959	10.9
98.19619	4.8
99.04536	22.3
102.17881	5.6
108.02177	21.7
109.02969	14.5
121.02966	5.9
123.00915	5.9
123.04482	7.1
125.02431	100.0
133.99643	5.8
137.02457	57.2
137.69296	5.6
139.04004	8.7
147.04472	6.4
149.02370	5.7
151.03998	11.8
152.01115	21.0
153.01912	6.8
155.00760	5.7
159.04486	6.7
161.02478	7.3
163.00490	5.3
164.01146	6.4
165.01938	19.6
167.03502	96.1
173.06009	5.5
174.06735	5.2
174.64702	5.6
175.04030	6.8
177.01959	8.7
179.03505	11.8
185.06194	7.4
187.03970	10.1
189.05576	11.8
191.03360	7.4
201.05507	14.2
205.05110	25.6
211.04021	10.0
213.05544	11.8
216.04269	6.2
217.05122	8.1
227.03416	6.6
228.04214	7.1
229.05060	16.6
231.02983	7.8
231.06711	7.6
239.03519	8.2
241.05067	14.9
245.04570	7.2
257.04550	82.1
261.88950	6.0
269.04593	30.3
271.06192	7.3
273.04047	8.5
275.05545	8.0
281.04596	7.0
299.05920	6.8
309.11823	14.0
315.07275	38.2
319.43439	6.5
363.09036	7.5
395.07724	33.9
397.09570	6.3
407.07681	14.3
413.08502	13.4
419.07788	17.7
425.08847	11.9
437.08478	8.0
443.10126	7.4
563.12061	15.6
581.12988	8.2
592.49866	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	623.1618
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.60974	0.6
59.30814	0.7
65.00340	0.7
69.61288	2.2
69.61707	2.3
72.00509	0.6
89.07217	0.7
105.62025	0.6
107.01469	0.7
118.81794	0.7
149.11237	0.7
151.00412	3.2
168.48019	0.8
171.04390	0.7
185.02466	0.8
199.04079	3.1
215.03566	1.5
227.03490	3.1
242.02151	1.6
243.03004	19.3
244.03491	2.7
254.02135	0.9
255.02969	11.6
255.05411	1.1
256.03619	1.5
257.04620	2.9
270.01682	1.6
271.02475	35.0
272.03143	5.6
285.04028	5.4
286.04633	1.6
287.05667	2.4
299.02002	35.1
300.02756	36.4
301.03165	2.7
314.04355	31.5
315.05115	100.0
316.05426	8.5
357.05646	0.8
623.16187	73.8
624.16565	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	623.1619
Annotation	CHEBI:68349
Peak:m/z	Relative Intensity
57.03423	0.7
58.02848	0.7
59.01384	6.0
61.98833	27.9
71.01389	3.3
71.64889	1.0
72.99307	1.5
73.02937	1.4
83.01383	1.0
85.02944	1.7
87.00865	1.6
88.98802	4.3
89.02440	2.5
93.03448	0.9
97.02985	1.1
101.02431	2.6
108.02168	4.2
109.02988	5.1
111.00888	1.3
113.02442	2.0
116.92855	0.7
119.03561	0.9
121.02956	2.1
122.06088	2.2
123.00891	0.9
123.04496	1.3
125.02476	4.2
130.53415	0.7
135.04506	1.6
136.01678	2.3
137.02440	2.6
147.04482	0.7
148.01666	0.8
149.02428	1.4
151.00363	1.4
151.04047	3.4
152.01178	3.4
153.01941	7.9
159.04489	1.0
161.02452	1.1
161.04541	0.7
163.06151	0.7
164.01094	1.3
165.01918	1.4
165.05539	0.9
166.02634	2.1
167.03456	0.9
175.03963	1.3
177.01904	1.1
179.03482	1.0
181.05064	1.9
183.04370	0.7
190.02690	1.0
199.03938	0.9
205.05101	0.8
223.06113	0.8
223.98923	0.7
226.02676	1.0
227.03578	3.5
242.02193	1.2
243.02983	12.6
244.03566	2.1
254.02063	0.9
255.02989	11.9
255.05757	0.8
255.06731	0.6
255.11348	3.0
256.03510	1.1
257.04465	1.8
270.01794	1.6
271.02466	29.5
272.03125	5.4
285.04022	4.7
286.04721	0.8
287.05582	1.2
297.06012	1.1
299.01990	11.9
299.10379	1.3
300.02756	32.0
301.03067	1.5
308.81931	0.7
314.04297	8.9
315.05075	100.0
316.05405	6.2
361.16486	1.9
387.14417	4.9
450.14047	0.8
461.15622	4.9
468.00357	0.7
479.12006	4.6
563.30347	1.4
622.38245	1.4
623.16107	26.3
623.24994	5.8
624.15356	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	623.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98826	2.4
69.42577	6.7
69.42982	2.3
71.01369	2.6
73.02952	1.2
74.25699	1.2
85.02895	1.3
89.02433	1.9
93.56394	1.0
97.02960	1.2
101.02441	2.4
107.93631	1.1
108.02168	2.7
109.02960	2.5
125.02444	3.7
133.02966	2.7
134.03777	1.3
137.02434	1.6
139.18861	1.2
145.03011	3.1
149.02452	1.6
150.03249	1.7
151.04091	1.3
152.01151	3.6
158.92076	1.0
161.02414	1.3
175.04120	1.4
177.01892	1.6
179.03477	1.6
191.03514	2.3
202.69382	1.1
203.03683	1.2
246.21837	1.3
270.01526	1.2
285.04117	2.0
289.07101	1.4
298.04922	3.1
299.05731	2.5
300.02829	1.7
311.02420	1.7
311.05658	14.8
312.06400	43.5
313.03491	2.3
313.06860	4.0
315.05093	4.3
323.05634	3.1
325.07312	1.7
339.05121	4.2
341.06781	2.6
344.05319	2.0
353.06494	2.4
355.08234	4.0
358.06628	1.6
369.05688	1.3
383.07751	35.4
384.08160	3.0
395.07730	3.6
413.08847	19.3
414.09155	1.4
425.08789	1.5
443.09662	2.0
461.10834	2.4
472.02194	1.2
503.11987	19.4
504.12363	3.0
533.13263	3.1
605.15094	1.6
623.16180	100.0
624.16290	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	622.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49406	1.0
59.01393	7.3
61.98836	100.0
78.95901	2.1
84.57261	1.3
85.09487	1.0
86.19845	1.2
107.25626	1.1
124.04736	1.1
135.19722	1.4
137.06125	1.2
137.99748	1.1
140.29730	1.2
140.86356	1.0
154.83350	1.1
164.04776	4.3
179.07135	3.6
191.34474	1.1
250.41904	1.3
263.94962	1.2
303.23495	1.2
319.22659	8.6
320.23129	3.8
321.24188	3.2
622.40613	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.8
61.98832	100.0
71.01376	2.1
71.65091	0.7
72.99320	1.0
73.02949	0.7
75.00865	0.9
83.05011	1.4
87.00916	0.4
87.04520	0.6
88.98820	1.7
89.02457	1.6
101.02431	1.0
108.02258	0.4
111.04552	0.7
112.98615	0.8
113.02442	0.6
123.04556	0.5
125.02414	0.7
127.04020	2.2
127.07588	0.5
129.05573	0.8
137.02469	0.5
143.75143	0.4
151.03932	0.5
193.05086	0.5
242.01172	0.5
243.03049	0.5
255.03047	0.5
268.70490	0.4
271.02557	0.9
273.64346	0.5
285.04529	0.5
300.02676	0.6
315.05188	1.5
427.16479	0.5
455.33762	2.5
481.31409	2.1
499.33142	0.6
535.16193	0.4
541.33783	2.4
559.34930	4.5
560.35663	0.7
562.21869	0.6
562.29773	0.8
622.34991	0.8
623.16107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01357	1.2
61.98837	5.5
69.50173	4.1
71.01392	1.2
74.99100	0.9
83.01363	0.7
89.02459	0.7
101.02429	0.7
104.55665	0.6
106.00459	0.7
108.02143	0.9
109.69489	0.8
111.00871	0.8
113.02389	0.7
119.05001	0.7
122.99144	0.6
123.04556	0.7
125.02470	1.7
133.02936	2.0
134.03743	1.4
136.99034	0.7
137.02400	1.1
145.02917	0.8
147.04514	1.1
149.02521	0.8
150.03244	0.8
151.03889	0.7
152.01143	0.7
152.04321	0.7
154.08199	0.6
159.04437	0.8
160.98729	0.6
163.03969	0.7
165.01965	0.7
175.03951	0.7
177.01920	2.2
191.03500	1.3
216.62102	0.6
233.04613	0.9
255.06631	0.7
283.06073	1.8
289.07205	1.2
291.37723	0.5
297.04285	0.9
298.04724	3.6
299.05591	2.3
311.05597	14.1
311.27429	0.6
312.06387	44.8
313.06903	4.2
322.04568	0.9
323.05585	3.1
324.06384	1.1
327.04999	1.5
327.08685	0.8
338.04300	1.0
339.05106	4.3
340.05560	1.1
341.06534	3.0
344.05280	2.1
351.05081	0.9
353.06519	2.0
354.07272	1.2
355.08127	4.8
358.06769	1.2
365.06555	1.4
368.05206	1.1
369.05991	1.3
370.06900	0.9
381.05927	0.9
383.07703	38.7
384.07974	3.6
386.06137	0.9
395.07596	2.9
413.08777	21.2
414.09058	1.9
425.08804	2.1
443.09863	1.2
455.09909	1.1
485.11035	0.8
503.11951	16.0
504.12128	2.3
533.12769	2.3
581.34253	0.8
605.15021	0.8
623.16119	100.0
624.16504	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	621.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
59.01382	13.7
60.99313	17.6
61.98835	83.2
62.98539	1.1
65.84071	1.0
66.77841	1.0
71.01395	8.4
71.63843	1.4
72.99325	1.9
73.02944	2.2
75.00867	2.9
81.21259	0.9
83.01406	1.2
85.02956	3.5
85.61807	0.9
87.00876	1.5
88.00425	2.2
88.49319	1.0
88.98813	100.0
89.02452	14.2
93.03486	1.1
97.52155	0.8
99.00871	1.6
101.02427	5.2
101.05987	0.9
103.04001	1.5
107.05077	1.1
109.02931	1.2
111.17644	0.9
113.02455	2.3
119.03474	2.4
119.05042	1.0
125.02444	3.5
137.02437	1.8
137.93442	0.9
149.02371	1.3
161.02423	1.7
161.04585	1.9
163.06128	2.2
164.82169	0.9
165.01945	1.5
175.00449	1.2
185.11798	1.2
189.45717	0.9
190.02794	1.8
205.05038	2.4
285.04019	1.0
308.27542	1.0
355.25055	1.6
373.25983	2.3
375.27454	10.0
459.27847	1.9
460.27588	1.5
561.29083	4.0
621.33783	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	621.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.1
55.55975	0.8
57.03445	1.1
58.00594	1.2
59.01094	1.2
59.01381	21.4
61.98832	32.4
68.97011	0.8
69.58316	2.2
69.58741	4.8
71.01382	13.2
72.99321	2.1
73.02948	4.8
75.00877	1.0
81.03413	1.0
82.78120	0.8
83.01376	4.0
85.02940	5.2
87.00864	2.7
88.98796	6.2
89.02448	9.1
89.21767	0.8
90.94204	0.9
93.03442	1.3
95.01412	1.4
97.02953	4.0
99.00881	1.7
99.59219	1.0
101.02450	13.2
103.03985	2.2
106.14919	0.9
108.02156	2.6
109.02960	8.7
110.94775	1.0
113.02451	5.0
116.92856	2.3
117.03423	1.1
119.03490	3.7
121.02953	3.7
122.03735	3.9
123.04559	9.8
123.08054	1.1
124.01648	2.2
125.02445	4.4
131.03494	1.9
135.04497	2.5
137.02449	11.7
138.03264	0.9
139.03983	2.5
143.03532	1.8
149.02449	4.4
150.03183	0.9
151.03958	3.8
159.04517	2.2
160.05219	0.8
160.26704	0.8
161.02399	1.8
161.04655	1.6
161.06056	5.9
162.03267	1.9
163.04015	2.0
163.06096	8.6
164.01103	3.1
165.01927	13.6
175.11285	1.1
177.05603	1.0
179.03508	2.0
187.03993	3.0
188.04659	2.1
195.02690	0.8
201.05597	2.7
201.11320	3.2
202.06270	1.4
203.07152	7.2
205.05032	6.7
205.07126	2.5
227.97740	1.1
235.13397	1.0
244.07367	2.7
263.12915	1.0
265.09354	1.1
281.13931	2.5
289.07062	1.2
289.14536	1.0
397.20135	3.4
398.20288	1.0
415.21329	1.9
457.20712	2.4
469.20770	9.7
470.21512	1.3
496.93210	1.0
561.29352	4.9
577.26154	4.1
621.25354	100.0
622.25537	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	619.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97960	1.2
57.03463	2.7
59.01378	3.6
60.35704	1.2
61.98839	9.2
69.03448	1.5
71.01389	3.6
71.62379	1.5
72.99302	1.9
81.03463	3.1
83.01401	4.1
85.02948	1.4
87.00936	1.9
93.03527	1.8
95.05062	3.9
96.95979	2.4
97.02950	6.5
101.02449	2.3
109.02221	1.7
109.02953	25.7
111.00842	1.9
121.03002	3.4
122.03764	1.4
123.04529	16.9
125.02452	19.1
135.04559	3.7
137.02472	9.8
139.04056	4.2
145.02945	1.5
147.04474	1.4
149.02438	4.4
150.03276	1.6
151.03983	10.8
151.75226	1.2
153.01944	1.8
159.04526	2.6
161.02444	2.8
161.06145	3.8
162.03247	1.3
163.03957	2.3
164.01190	3.4
165.01949	7.4
167.03503	2.8
175.04063	3.4
179.03476	5.3
187.03981	3.4
188.04779	3.3
202.06303	2.9
203.07150	10.8
205.05075	6.4
221.08209	3.4
227.07079	2.2
245.08182	15.6
271.06149	1.8
289.07196	100.0
290.07471	7.1
335.12354	1.7
401.87054	1.8
458.43604	1.6
490.65875	1.5
619.12677	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	619.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.3
59.51698	4.1
61.98825	25.2
71.01385	25.6
73.02956	7.8
73.34584	3.6
78.95895	8.4
85.02958	5.1
88.85474	4.2
89.02458	13.7
89.86333	3.8
101.02439	7.1
113.02472	19.4
119.03564	4.7
119.05044	15.7
124.27970	3.6
137.06009	4.1
161.02448	49.0
162.46936	3.6
195.06622	7.8
215.07082	4.6
246.73148	3.8
277.21710	100.0
278.22040	8.0
281.10226	20.2
291.23328	26.5
299.11481	7.0
301.21545	5.4
319.22751	9.1
629.28967	4.1
638.20911	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	619.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84728	0.4
57.93589	0.4
59.01382	100.0
60.01714	0.9
61.98831	3.3
69.94456	2.1
93.03477	0.7
98.19958	0.8
99.92580	3.1
106.04254	1.8
107.05032	0.6
108.02177	0.7
116.92864	23.0
117.01952	0.5
117.92868	1.1
119.05021	2.6
135.04628	0.4
137.06085	49.4
138.06415	1.9
149.20937	0.5
212.24760	0.4
236.09103	0.4
277.21683	2.7
317.21051	0.7
539.90497	0.5
554.31818	0.4
557.77722	0.5
619.39911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34996	0.5
58.00589	0.5
58.02979	6.6
59.01384	7.7
61.98838	1.2
66.03481	0.5
68.05018	0.6
69.79742	1.9
69.80150	1.0
71.01388	4.7
71.58819	0.6
74.02477	12.3
78.95918	0.8
82.02969	0.6
85.02957	0.6
86.02476	5.6
86.06084	1.0
87.05640	2.3
88.04037	0.8
89.02441	3.9
92.52982	0.5
97.04091	1.0
99.05650	10.8
101.02455	3.0
101.07216	1.1
102.05611	2.0
109.04054	2.1
109.07715	0.7
111.05663	0.6
113.02454	1.3
113.03556	0.7
114.14350	0.6
119.03457	1.1
123.05682	0.9
125.03536	0.7
127.86826	0.5
128.03542	37.9
129.03848	0.9
135.05629	2.6
137.02435	0.6
137.07181	0.5
139.02222	2.0
141.06790	1.2
143.04625	48.3
144.04955	1.0
145.06264	1.3
146.04593	3.6
153.06688	1.2
166.09863	2.4
167.01724	13.1
167.04607	1.8
167.08266	0.8
168.02043	0.6
179.04626	8.7
181.06197	0.6
185.05640	1.7
192.07811	0.8
197.05801	0.7
210.08833	10.2
221.47229	0.6
228.09901	0.5
254.07802	17.3
255.08064	1.4
272.08878	100.0
273.09216	4.8
305.06827	0.6
306.07623	1.2
320.44315	0.6
337.33121	0.6
347.08078	26.9
348.08246	2.2
620.17670	5.5
621.18213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	5.6
59.01390	11.4
59.31815	1.1
71.01389	8.2
71.61083	1.5
78.95930	4.0
81.03468	2.4
83.01434	4.9
85.02982	1.3
89.02505	4.3
93.03514	1.6
95.01417	1.9
96.96067	1.2
96.96998	2.2
97.02994	4.0
101.02505	2.7
101.92543	1.1
109.00858	1.1
109.03009	3.7
113.02502	2.1
119.03505	1.3
121.03017	1.7
123.00952	3.3
123.04552	2.1
124.01692	8.8
125.02454	46.8
126.02792	1.7
135.04593	1.9
137.02449	18.3
138.03239	1.3
139.04045	2.4
147.04649	1.1
149.02379	1.3
149.99603	11.1
150.03241	1.6
151.00417	2.9
151.04036	2.4
159.04539	1.2
161.02484	6.0
162.03262	1.1
163.00436	1.9
164.01096	5.4
165.01933	8.4
167.03578	3.0
168.00645	18.4
169.01466	5.1
173.06279	2.4
175.04137	3.6
177.01962	2.6
179.03465	7.2
181.01501	2.6
190.02750	1.7
191.03569	1.5
198.03316	1.2
199.03986	2.0
200.22659	1.1
201.05798	1.9
201.85002	1.3
211.04123	1.5
212.04825	1.3
213.05692	3.0
214.02809	2.9
215.03543	2.0
217.05132	2.5
219.03119	3.3
220.03839	2.3
227.03569	2.6
229.05110	1.7
239.03522	1.8
239.07239	2.3
240.04422	4.8
241.05058	10.1
242.02243	5.5
243.02988	30.1
244.03783	4.6
251.07256	1.5
253.05119	1.3
255.06732	3.0
256.03906	4.7
257.04544	25.7
258.05325	44.8
259.06033	7.1
267.06854	1.9
269.04663	2.0
270.05399	1.1
271.06390	3.8
272.03482	2.1
273.07950	4.3
277.05161	1.9
283.06033	8.2
287.02063	2.2
293.04770	2.1
295.06146	12.6
299.05600	1.5
301.04269	1.2
301.07025	5.3
304.06061	1.7
309.07666	1.3
311.09558	1.3
313.05411	6.6
331.06689	24.6
337.07291	2.6
353.10471	2.7
355.08527	2.1
385.40961	1.4
388.45963	1.3
395.11639	3.7
439.11179	2.1
449.07187	1.2
463.12357	6.6
467.08582	5.8
475.12790	3.2
481.13654	10.2
482.14218	1.2
499.14261	1.2
535.14563	1.5
575.18231	3.9
576.18298	2.3
601.15686	1.4
619.16388	100.0
620.16833	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	620.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89637	0.3
59.01380	15.0
61.98830	100.0
67.11172	0.3
69.37770	1.9
69.38186	0.6
71.01386	1.0
71.25106	0.3
73.02940	0.7
83.05024	1.7
85.02979	0.5
88.98820	1.3
89.02457	0.5
97.06634	0.3
99.04491	0.5
101.02458	0.6
101.06091	0.3
101.43659	0.3
106.84536	0.3
111.04575	0.8
111.92975	0.4
119.05051	0.3
125.02459	0.5
127.04012	3.6
127.07645	1.0
129.05571	2.1
131.76393	0.4
135.04472	0.5
141.09192	0.6
181.71704	0.3
223.06125	0.6
255.02977	0.3
285.04126	0.9
312.04974	0.4
366.15598	0.3
453.32166	4.8
454.32541	0.6
479.30161	6.2
480.30469	0.6
495.33426	0.7
497.31519	1.2
539.32300	6.2
540.32568	0.5
557.33276	9.2
558.33875	1.2
607.81506	0.3
621.35333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37792	1.2
54.50453	1.2
57.03445	5.3
58.00576	1.3
59.01141	1.3
59.01385	13.9
61.98845	2.0
65.00306	1.3
69.03488	1.3
71.01387	6.8
72.99300	1.8
78.95898	5.7
81.03453	1.9
83.01397	8.6
85.02950	1.8
89.02438	5.7
95.01392	1.5
95.05022	1.9
96.96009	5.0
96.96973	4.1
97.02956	4.0
101.02446	4.3
109.02940	2.9
113.02428	4.1
116.92818	2.1
123.04472	1.9
125.02457	25.2
128.03532	2.0
135.04530	1.9
137.02470	12.9
139.04002	3.2
143.04649	2.8
151.00362	10.4
151.03999	2.0
156.36122	1.1
162.91664	1.3
163.03963	1.6
164.01161	4.2
165.01910	5.0
167.01724	3.9
167.03484	4.0
169.01442	3.9
175.00368	2.1
179.03481	6.8
181.05028	1.8
211.04057	2.1
212.04709	1.6
213.05473	3.2
214.02713	2.5
215.03464	2.0
219.03094	1.8
220.03806	2.9
225.05554	1.3
228.04216	1.6
239.03334	1.7
239.07120	1.7
240.04202	4.0
241.05060	11.1
242.02151	6.1
242.05811	2.0
243.02966	28.7
243.06647	1.4
244.03569	6.0
249.05415	1.6
251.07149	2.1
253.04997	2.0
255.06540	3.1
256.03705	3.5
257.04532	25.7
258.05301	48.0
259.05960	7.8
269.01080	1.5
271.06100	4.9
271.08969	1.2
272.03238	1.8
272.08951	6.0
273.07736	5.2
277.04929	1.9
279.10760	1.7
280.03729	1.5
283.06152	8.2
287.01968	3.1
295.06189	15.0
301.07135	3.4
304.05704	1.8
313.07062	1.5
320.06448	1.3
331.06705	23.6
332.07288	1.7
337.07156	1.7
347.08224	2.9
353.10291	1.7
377.10022	1.5
395.11356	5.5
421.09280	2.1
422.09360	1.3
439.11462	2.4
463.12469	9.9
475.12457	3.7
481.13556	6.3
486.95123	1.3
501.35086	1.3
535.14990	2.2
575.17841	5.1
601.15210	1.8
619.16675	100.0
620.17041	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.2
60.06033	0.5
61.98832	12.9
63.02409	1.0
65.00313	0.6
70.92472	1.2
72.99308	1.1
75.00877	1.2
83.01391	1.2
85.02967	0.8
87.00902	0.5
88.98782	1.0
89.02438	1.1
93.03458	2.3
101.02438	1.0
107.01391	3.0
108.02126	0.5
109.02959	1.4
117.03471	8.1
118.03780	0.6
119.05033	11.4
120.05390	0.6
121.02937	0.7
123.00822	0.6
123.04482	1.3
125.02425	0.6
132.02179	1.9
135.00861	1.5
143.05037	1.2
145.00464	0.5
145.02960	17.1
146.03447	0.7
148.50659	0.6
151.00389	5.3
157.06645	0.6
159.04482	1.1
163.00352	2.8
163.04019	5.5
164.01096	0.9
165.05695	0.6
167.05093	0.7
169.01532	0.7
169.06723	0.9
171.04472	0.6
178.99870	0.7
183.04514	1.6
185.06010	2.1
187.04024	2.8
195.04558	0.7
199.04002	0.8
200.04680	0.7
207.13843	0.6
211.03937	4.4
212.04674	0.7
213.05594	1.6
227.03499	40.8
228.03946	2.1
229.05042	7.8
230.05273	0.6
239.03482	1.4
240.04051	0.8
241.05011	1.2
255.02980	70.9
256.03592	8.6
257.04559	5.8
267.02921	0.8
281.04773	0.6
283.02493	3.8
284.03259	100.0
285.04007	72.3
286.04352	4.9
333.09772	1.6
395.08289	0.6
413.08969	0.7
427.53125	0.6
455.09833	1.5
473.10910	5.3
474.11032	0.6
559.12463	8.4
560.13049	1.5
619.14575	64.2
619.30957	2.2
620.14911	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	619.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20638	0.7
59.01366	1.9
61.98838	3.7
63.02392	0.6
66.09766	0.7
70.82903	1.6
107.01359	1.6
117.03467	5.7
119.05012	7.1
132.02200	1.6
135.00896	1.5
143.04948	0.7
145.02968	12.0
151.00380	3.6
159.04547	0.8
163.00351	1.5
163.04007	3.3
164.01183	0.9
183.04446	2.0
185.02263	0.7
185.05998	0.8
187.03989	1.1
199.04036	0.9
211.03993	3.7
213.05586	0.8
224.42012	0.7
227.03497	39.4
228.03867	2.5
229.04970	3.0
239.03471	1.5
255.02982	77.4
256.03433	8.8
257.04419	2.0
275.09216	1.6
283.02457	11.7
284.03247	100.0
285.03961	32.2
286.04416	1.4
313.53033	0.7
333.09607	0.9
413.08792	2.2
473.11148	4.4
559.12421	8.3
560.12433	1.3
619.14563	60.1
620.14752	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	618.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84768	0.2
59.01373	1.3
61.98834	100.0
69.43571	1.1
69.43996	0.9
71.01382	0.6
72.99305	0.3
73.02978	0.5
75.00861	0.3
78.95918	0.7
85.02987	0.5
87.00900	0.2
88.98827	0.4
89.02474	0.7
91.20738	0.2
96.96021	2.7
96.96984	0.9
101.02468	0.9
109.02950	0.2
123.04567	0.3
125.02441	0.5
132.62054	0.3
137.02475	0.4
148.42349	0.3
151.04083	0.3
161.02449	0.3
161.04680	0.3
161.90704	0.2
163.06128	0.3
165.01976	0.3
227.07059	0.2
266.66046	0.2
296.05450	0.2
312.92960	0.2
394.86871	0.3
618.24426	0.3
618.37421	0.3
619.24176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95279	0.3
57.03459	0.3
57.28091	0.2
59.01389	2.7
60.39444	0.2
61.98834	100.0
63.99247	0.4
69.42367	2.2
71.01391	1.5
72.99326	0.5
73.02956	0.3
73.52486	0.2
75.00881	0.6
83.01392	0.4
83.79948	0.2
85.02987	0.3
87.00897	1.1
88.98826	0.9
89.02440	0.7
89.93302	0.3
94.60423	0.2
96.22248	0.2
99.70104	0.3
101.02460	1.6
106.26238	0.3
109.02925	0.4
113.02467	0.4
116.92866	0.3
125.02459	0.4
127.45660	0.3
137.02461	0.5
139.04036	1.0
151.04028	0.4
161.04579	0.5
171.10277	0.5
179.03564	0.4
191.95862	0.3
209.11885	0.3
357.26630	0.5
358.26965	0.9
438.20016	0.3
512.78827	0.3
618.24957	0.4
619.24762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75653	0.7
57.03435	0.7
57.13733	0.8
59.01374	2.2
61.98843	5.1
66.19778	0.6
71.01436	0.7
71.62710	0.9
73.02957	7.0
78.95926	0.8
83.05032	0.9
87.55686	0.7
99.00887	1.2
99.92598	12.8
101.02453	1.1
104.39571	0.6
116.92873	100.0
117.01951	12.1
117.92901	5.0
142.64352	0.6
161.15222	0.7
212.79825	0.8
239.11629	0.7
277.21747	1.6
341.13956	1.2
419.37735	0.7
459.12167	0.8
461.11896	0.8
506.31903	0.7
617.37250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87994	0.7
59.01385	2.9
61.98838	7.7
65.74688	0.7
69.39001	7.1
73.02966	2.8
78.95909	2.0
88.98826	2.6
89.02460	1.4
99.92585	11.0
113.62865	0.7
116.92867	100.0
117.01996	3.9
117.92880	4.3
130.79599	0.8
137.02440	1.5
152.99593	1.4
167.10962	1.0
167.92876	0.8
173.86649	0.7
277.21597	1.7
295.22977	1.0
296.23041	1.0
312.48471	0.7
617.36865	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	618.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76032	0.1
51.85073	0.2
55.02488	0.1
59.01379	1.3
61.98832	100.0
62.98532	0.2
63.28432	0.1
69.58394	1.2
71.01397	0.6
72.99317	0.2
73.02954	0.3
73.53200	0.1
78.95916	0.6
79.95770	0.2
83.01411	0.2
85.02941	0.3
88.98820	0.3
89.02458	0.6
94.98125	0.3
96.96015	4.3
96.96926	1.0
98.20592	0.3
101.02441	0.9
109.02988	0.3
113.02463	0.3
116.92868	0.2
123.04536	0.3
125.02470	0.5
135.04579	0.3
137.02475	0.5
151.04080	0.3
156.06714	0.2
161.04523	0.2
163.06207	0.4
165.01947	0.2
233.08589	0.3
285.04001	0.2
289.07193	0.2
423.49490	0.2
494.26178	0.2
559.28882	0.3
575.18542	0.2
618.24060	0.2
619.24286	0.3
619.34790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75653	0.7
57.03435	0.7
57.13733	0.8
59.01374	2.2
61.98843	5.1
66.19778	0.6
71.01436	0.7
71.62710	0.9
73.02957	7.0
78.95926	0.8
83.05032	0.9
87.55686	0.7
99.00887	1.2
99.92598	12.8
101.02453	1.1
104.39571	0.6
116.92873	100.0
117.01951	12.1
117.92901	5.0
142.64352	0.6
161.15222	0.7
212.79825	0.8
239.11629	0.7
277.21747	1.6
341.13956	1.2
419.37735	0.7
459.12167	0.8
461.11896	0.8
506.31903	0.7
617.37250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.30687	0.9
57.03443	4.6
59.01385	59.9
59.71038	0.8
61.98834	40.7
62.14550	0.8
65.36807	0.8
68.67333	0.9
68.99517	1.1
69.03442	1.3
69.81466	0.8
71.01386	24.5
71.25623	1.1
72.99311	2.7
73.02953	11.7
74.99126	1.1
75.00860	1.6
79.90765	0.9
82.27094	0.9
83.01388	10.1
85.02956	13.1
85.88374	1.0
87.00859	2.9
88.98792	2.9
89.02449	12.6
93.03451	1.0
95.01376	4.0
96.96014	1.0
97.02955	2.6
99.00886	4.6
101.02447	28.1
103.68572	1.0
108.02133	1.1
109.02950	3.4
111.00877	1.3
112.98543	1.4
113.02457	13.5
116.92831	1.5
119.03491	3.9
119.04986	2.3
121.02906	1.5
123.04520	3.0
125.02460	10.6
131.03513	1.7
133.02972	1.4
137.02484	8.0
143.03450	2.6
145.02959	1.9
149.02368	1.4
151.04004	4.7
159.02957	2.1
161.02408	1.9
161.04568	11.6
161.05916	1.7
163.00284	1.3
163.04054	1.9
164.01057	1.4
165.01958	6.3
167.03516	1.1
171.10330	1.1
175.03987	1.1
177.01843	1.3
179.03528	1.2
179.05638	2.2
209.11957	1.2
229.05037	1.1
245.08203	1.2
269.07657	1.4
269.10287	10.2
285.03992	2.2
289.07153	2.7
311.11212	1.5
386.01871	0.9
413.14496	6.5
431.15561	24.0
432.15805	1.8
473.16644	100.0
474.16934	9.2
557.26025	1.4
617.26270	4.2
617.35675	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	616.225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.54230	0.2
69.29377	1.8
95.39018	0.2
98.20641	0.4
105.93600	0.2
125.02458	0.2
311.24106	0.2
438.07068	0.2
462.82733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98833	100.0
62.98553	0.3
63.99268	0.4
65.64245	0.2
69.30579	0.5
69.30989	1.6
71.01387	0.5
72.99319	0.3
76.03821	0.2
76.56010	0.2
89.02459	0.5
93.03466	0.4
96.95991	0.3
98.19789	0.5
101.02451	0.5
109.02971	0.6
121.02928	0.4
123.04517	0.4
125.02455	1.2
129.88701	0.2
137.02441	0.8
138.02992	0.3
148.72624	0.2
149.02423	0.6
150.03220	0.8
151.04030	0.7
161.02458	0.5
163.00479	0.4
163.04010	0.3
165.01938	0.7
165.05602	0.7
175.04063	0.3
177.01997	0.4
181.05127	0.3
195.06667	0.6
203.07164	0.3
285.04141	0.4
289.07169	1.0
327.05310	0.3
335.16757	0.3
403.13589	0.2
491.17023	0.3
556.71625	0.3
616.14014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98832	100.0
62.98545	0.2
71.01402	0.5
71.63748	0.2
73.02960	0.3
88.98814	0.2
89.02448	0.4
101.02408	0.4
113.02493	0.2
116.92867	0.3
117.04644	0.2
123.04562	0.2
141.09042	0.2
179.03609	0.3
289.17249	0.2
439.94223	0.2
467.69385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01382	24.1
61.98827	2.9
67.01866	1.7
69.03470	1.6
71.01384	18.2
72.99302	4.7
73.04424	1.7
81.03468	11.3
83.01396	11.0
85.02929	4.4
87.00912	2.2
88.98778	2.5
89.02448	13.6
93.03469	3.1
95.01419	2.4
95.05025	4.9
96.95972	1.8
96.96944	2.1
97.02953	7.7
97.85106	1.6
99.04522	9.9
101.02445	13.5
109.02969	10.2
111.00886	7.0
113.02438	5.3
117.03469	2.5
119.03516	2.2
121.02940	6.0
123.04535	5.8
125.02452	26.2
133.02945	2.0
135.04524	4.0
137.02448	34.3
138.03264	4.2
139.03926	2.5
145.06573	1.8
147.04587	2.8
149.02400	3.7
151.04051	3.3
159.04491	3.8
161.02425	5.8
161.06084	2.8
163.00462	3.9
163.03983	2.4
164.01106	3.3
165.01941	19.6
167.03500	44.6
168.03925	2.2
169.06551	1.8
171.04585	2.8
173.02359	2.1
173.06104	2.9
175.04002	6.5
177.01913	6.6
179.03520	5.2
179.05603	1.7
185.06091	5.7
186.03197	3.2
187.04030	5.5
188.04745	4.4
189.01907	3.8
189.05519	6.7
190.02753	2.2
197.04445	1.9
197.06087	3.4
198.03165	3.4
199.03918	4.7
200.04810	3.2
201.01836	2.6
201.05554	4.0
203.03540	8.0
203.07088	2.1
205.05026	6.5
209.06003	1.9
210.89519	1.7
211.03951	3.8
213.05640	8.1
214.02699	5.5
215.03487	7.0
215.07123	2.3
216.04276	2.7
217.05084	5.4
225.05537	5.2
227.03519	4.1
227.07216	4.0
228.04327	2.7
229.05045	11.7
231.02870	4.2
237.05534	2.6
239.07156	2.2
240.04320	2.0
241.05023	9.2
242.02155	3.8
243.02907	5.8
243.06541	3.4
244.03743	3.9
245.04425	3.4
247.06090	3.6
253.04907	2.5
255.03030	2.3
255.06686	3.2
257.04535	19.6
263.07147	2.5
265.05060	3.0
267.06622	2.6
269.04593	2.8
271.02576	2.6
275.05579	5.6
279.06683	2.0
281.04474	2.2
283.02765	1.7
295.06137	2.7
303.06500	1.8
319.06284	2.5
347.09314	3.4
348.06064	2.9
364.06006	2.4
375.08694	2.8
391.08524	3.7
393.09811	5.0
405.12112	2.3
419.07770	4.3
421.11502	3.7
437.08853	7.6
449.11090	10.7
451.12408	4.6
473.10779	2.8
545.16730	4.5
555.15479	8.3
571.14612	4.1
573.16107	23.8
574.16388	3.6
589.15686	4.9
599.04871	2.8
599.14081	35.6
600.14337	5.1
617.15112	100.0
618.15381	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	615.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
58.00575	0.6
59.01385	100.0
60.99314	0.6
61.98835	24.7
68.99558	0.6
69.03451	1.5
70.76057	1.6
71.01385	6.4
71.28310	0.4
72.99342	0.5
73.02959	4.2
83.01405	1.0
84.02357	0.4
85.02958	3.0
87.00881	1.2
87.51379	0.4
88.98814	2.8
89.02449	3.9
89.02811	0.3
95.01413	0.7
95.97678	0.4
96.95995	0.5
97.02957	0.8
99.00888	0.9
101.02459	7.5
103.04035	2.5
103.47633	0.4
112.98627	1.0
113.02471	1.7
116.92902	1.5
119.03508	1.8
125.02455	1.5
131.01073	0.4
131.03548	1.3
137.02475	1.0
139.04071	0.5
139.11305	6.5
143.03510	1.1
150.03235	0.7
151.03915	0.6
152.01123	0.5
157.49219	0.5
159.90334	0.5
161.04556	3.9
163.06143	8.9
164.04784	0.7
165.05562	0.8
167.03561	0.6
175.04092	0.6
179.10802	0.8
181.12378	0.8
183.10275	29.8
184.10689	1.1
187.86407	0.4
205.07185	1.8
225.11281	0.9
259.06097	0.8
357.26498	1.4
389.21793	7.7
597.32397	0.7
615.23700	1.0
615.33936	21.3
616.25275	0.8
616.34210	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	615.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69585	0.6
54.34158	0.5
57.03449	1.2
57.77768	0.6
59.01385	100.0
60.01710	1.1
61.98835	52.4
67.49078	0.6
69.03470	2.9
69.88378	3.5
71.01387	11.9
71.05051	1.2
72.99333	1.0
73.02953	3.0
75.00904	0.7
80.91718	0.7
82.73618	0.6
82.95454	0.6
83.01405	1.8
83.05026	0.9
85.02977	2.7
87.04504	1.1
88.98807	1.0
89.02460	4.4
93.03467	0.7
96.96048	1.9
97.02983	1.4
99.00923	1.4
101.02453	12.6
109.02978	1.8
113.02483	3.9
116.92892	2.1
119.03557	1.8
121.02959	1.0
122.06093	0.8
123.00928	1.6
123.04557	0.8
125.02477	3.2
131.03546	1.3
137.02428	3.5
137.30905	0.7
138.03247	1.4
139.04066	3.1
139.11298	7.0
143.03558	1.2
149.02516	1.1
149.04573	0.7
149.06033	0.5
151.03986	1.3
155.10838	1.8
159.03058	1.1
161.02495	1.8
161.04584	8.1
162.05717	1.0
164.04825	1.9
165.02005	2.5
165.05699	0.7
167.03444	0.8
171.10353	1.4
173.06136	0.8
175.04121	0.9
176.04877	0.8
177.01971	1.7
179.03563	1.9
179.05760	1.0
179.07190	1.4
180.04419	0.6
181.05031	0.7
181.12392	0.8
183.10272	40.7
184.10672	1.9
194.05899	1.5
195.06694	1.8
197.11714	0.6
199.13466	0.6
205.04858	0.6
209.08229	2.7
213.15034	1.0
227.16609	2.9
285.12515	0.8
327.25583	1.6
339.25351	10.8
340.25723	1.1
357.26468	30.6
358.27078	2.6
371.28372	1.0
389.21939	9.0
390.22452	1.8
399.27499	3.5
433.21115	1.4
447.24030	1.5
557.29840	0.7
571.26129	0.7
597.27911	1.2
615.28033	4.3
615.36499	4.3
616.28351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03439	1.3
58.00591	3.4
59.01380	100.0
61.98834	22.0
62.33955	1.0
62.34471	1.0
69.03445	2.3
69.44896	4.8
69.45312	3.4
71.01383	27.7
72.99310	5.1
73.02948	26.0
75.93267	1.0
83.01389	2.1
85.02959	13.7
86.00105	1.4
87.00877	8.7
87.04510	2.8
88.98848	1.0
89.02445	23.9
89.28860	1.0
94.81992	1.1
96.36279	1.0
96.95996	2.4
97.03007	0.9
101.02444	52.9
103.04010	21.0
104.13438	1.0
109.02961	1.5
109.64732	1.0
113.02445	3.1
115.04025	5.5
116.92845	1.7
117.60912	1.1
117.81734	0.9
119.03513	10.3
121.03002	1.4
125.02426	3.3
127.03997	2.2
131.03510	6.1
137.02478	1.3
139.11327	1.8
143.03506	9.2
145.05061	7.2
151.04019	1.1
152.04401	1.1
161.04524	1.6
163.06123	93.9
164.06458	2.4
165.05620	1.2
183.10252	8.4
190.02875	1.0
205.07173	17.4
216.08328	1.0
259.06027	1.1
265.09283	8.2
357.26169	1.4
389.21790	3.3
422.80234	1.1
555.23846	1.2
577.65216	1.1
609.66626	1.1
615.21558	1.3
615.34198	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	615.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94976	0.8
51.80267	0.8
56.85076	0.8
57.03410	0.9
59.01372	3.4
60.11451	0.7
61.98833	22.4
67.01897	1.4
69.65989	2.3
69.66412	3.5
71.01369	1.6
73.02958	1.1
85.02951	1.2
88.98792	1.8
89.02425	1.4
93.03453	2.2
94.71931	0.8
95.05074	0.9
96.96023	1.4
101.02431	1.7
109.02951	3.1
111.79388	0.8
113.02439	1.6
115.49042	0.9
116.92872	1.3
121.02917	2.4
122.03726	4.0
123.04510	1.8
124.01675	1.2
124.86459	0.9
125.02424	3.3
133.02930	1.2
136.01613	3.1
137.02444	21.1
138.03207	0.9
139.03989	1.1
148.01674	1.0
149.02441	12.0
150.03232	31.2
151.04073	5.1
151.05037	1.0
152.01077	1.0
161.02428	2.0
162.03209	1.3
163.03987	1.7
164.01128	2.7
164.04781	3.1
165.01930	100.0
165.05566	31.0
166.02280	3.0
166.05829	1.4
173.50636	0.9
175.03992	2.9
176.04691	1.2
177.05580	2.2
179.03499	25.6
179.07098	1.7
180.04282	59.0
181.04779	3.2
189.05533	1.6
190.06369	2.7
191.07063	2.6
193.05086	2.6
194.05838	7.6
195.02905	3.3
195.06619	91.7
196.06984	4.5
203.07097	1.2
205.05066	1.1
205.08673	3.0
207.06555	2.3
208.07330	1.3
209.08124	1.9
210.05310	11.5
225.07678	62.9
226.08037	2.5
283.09793	1.3
285.11423	1.8
299.09283	1.5
314.07956	2.0
326.11774	1.1
327.12369	2.0
328.13104	5.1
329.10248	4.3
329.13708	1.0
330.10934	1.6
341.10431	5.0
341.13895	1.8
343.15604	1.3
344.12509	6.0
345.13394	1.2
356.12738	2.4
359.14981	15.1
360.15451	2.0
371.15012	13.9
375.14371	2.5
387.14383	1.1
389.16055	15.7
390.16586	1.6
405.15454	2.1
435.09579	1.1
474.90741	0.9
493.19019	1.5
537.22089	6.9
567.22351	58.0
568.22693	9.5
615.24231	6.2
615.33636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49068	0.9
57.03451	1.9
58.00600	3.2
59.01384	74.8
61.98838	57.6
65.44059	0.9
69.03483	1.0
69.36388	7.6
71.01389	29.8
71.05059	0.7
72.99317	6.8
73.02957	26.5
75.00864	1.3
76.76084	0.8
83.01395	2.5
83.05026	1.4
85.02960	13.9
86.00103	1.7
87.00888	8.2
87.04528	2.4
89.02446	24.7
96.96029	2.1
97.02969	1.4
101.02452	50.7
102.02744	1.4
103.04018	20.4
109.02976	1.9
113.02446	4.4
114.05621	3.6
114.68394	0.9
115.04025	4.9
116.92891	1.7
119.03502	10.2
125.02434	4.1
127.04032	1.8
131.03506	8.6
137.02428	2.8
139.11298	1.7
143.03508	10.2
145.02988	0.9
145.05090	6.7
149.02428	1.2
151.03944	1.1
160.37288	0.9
161.04556	1.7
163.06137	100.0
164.04828	1.8
164.06483	3.4
165.01971	2.3
180.04245	0.9
181.12317	1.4
183.10246	3.6
185.68805	0.9
195.06618	1.6
205.05299	1.2
205.07179	14.8
236.99545	0.9
245.60620	0.8
255.03035	1.1
265.09329	7.7
285.04025	2.0
289.06985	0.9
307.10391	1.2
325.11285	2.3
332.30661	0.9
615.25409	1.1
615.34296	9.2
616.34271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86073	0.2
59.01389	0.8
61.98834	100.0
69.77721	0.2
71.01402	0.6
71.63641	0.3
73.02976	0.2
89.02450	0.4
99.00865	0.2
101.02477	0.3
113.02483	0.2
119.04951	0.2
125.02475	0.4
138.05745	0.2
161.02374	0.2
166.02753	0.2
173.48233	0.2
225.05777	0.2
267.03040	0.3
269.04620	0.6
270.05301	0.2
282.71283	0.2
297.04160	0.3
343.13406	0.2
419.07877	0.6
471.17834	0.2
543.17285	0.2
554.28052	0.4
571.12531	1.6
615.21332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36581	0.5
61.98836	100.0
69.38674	2.4
69.39105	1.9
87.18822	0.5
90.02436	0.4
105.78831	0.4
117.14595	0.5
144.03949	0.4
165.19331	0.5
178.72905	0.5
199.97137	0.4
247.85216	0.5
262.26215	0.5
271.80890	0.5
479.82983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98832	100.0
67.99087	0.3
69.32877	0.6
69.33281	2.8
82.01175	0.4
98.19894	0.5
106.85143	0.3
109.02975	1.4
116.65838	0.3
121.02972	1.4
123.64120	0.3
125.02505	0.4
137.02405	0.3
149.02463	0.6
150.03236	2.0
161.02464	0.7
164.04837	0.5
165.05606	1.1
173.04504	0.3
177.01929	0.4
189.01964	0.5
195.06644	0.7
217.01396	0.5
229.72791	0.3
341.06772	0.8
342.07019	0.8
366.07498	0.3
373.13080	0.4
402.55164	0.4
407.82043	0.3
419.17114	1.2
440.54871	0.3
451.10526	0.4
452.10806	1.2
551.25214	0.5
567.22772	1.2
614.19867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98834	100.0
64.37359	0.5
68.58002	0.5
70.11427	1.6
71.01391	1.3
76.08644	0.5
83.01374	0.6
87.00895	2.1
88.98807	1.5
93.03494	0.7
96.35799	0.6
96.96046	0.9
96.96980	0.8
101.02457	0.8
105.01964	1.8
109.02966	1.0
123.00931	0.6
123.04499	0.8
125.02464	1.1
126.83814	0.5
137.02484	1.2
165.01936	0.8
165.04050	6.2
166.04472	1.9
168.00603	0.6
300.02786	1.5
301.03424	2.2
387.94360	0.6
448.09912	2.1
452.14392	1.3
463.06943	0.7
614.20056	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	614.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98834	100.0
64.37359	0.5
68.58002	0.5
70.11427	1.6
71.01391	1.3
76.08644	0.5
83.01374	0.6
87.00895	2.1
88.98807	1.5
93.03494	0.7
96.35799	0.6
96.96046	0.9
96.96980	0.8
101.02457	0.8
105.01964	1.8
109.02966	1.0
123.00931	0.6
123.04499	0.8
125.02464	1.1
126.83814	0.5
137.02484	1.2
165.01936	0.8
165.04050	6.2
166.04472	1.9
168.00603	0.6
300.02786	1.5
301.03424	2.2
387.94360	0.6
448.09912	2.1
452.14392	1.3
463.06943	0.7
614.20056	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	614.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95955	0.2
59.01379	0.9
61.98832	100.0
63.18478	0.2
71.01386	0.5
75.14576	0.3
75.80172	0.2
88.98830	0.4
89.02445	0.4
91.01933	0.9
98.19822	0.5
101.02449	0.7
108.02168	1.3
109.02956	0.5
113.02464	0.3
123.00871	0.4
125.02448	0.4
135.00929	0.9
137.02441	0.4
152.01196	0.7
153.01938	0.3
161.04565	0.3
168.00722	0.3
194.05840	0.2
243.06601	11.1
244.06934	0.5
266.71838	0.2
269.04486	0.3
403.07449	0.2
443.12274	0.5
501.37497	0.2
551.17731	1.9
613.31848	0.4
615.18781	0.6
615.34131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48441	1.0
55.01878	2.2
56.92486	0.9
57.03443	2.9
58.00608	1.3
59.01380	29.6
61.98834	78.5
69.56546	6.3
69.56939	1.5
71.01387	29.9
72.99307	1.7
73.02948	8.7
82.03022	1.6
83.01387	5.2
83.83838	1.0
85.02961	13.5
87.00888	2.8
88.98804	6.8
89.02450	14.0
95.01376	2.3
97.02990	1.9
99.00890	2.8
101.02445	23.9
108.02206	5.4
109.02965	3.7
111.00877	3.1
113.02455	14.1
119.03494	4.5
121.02960	20.0
125.02483	2.2
136.12123	1.0
139.00386	1.1
143.03456	1.9
149.04567	1.6
150.03264	1.6
152.01154	5.3
153.01921	5.8
159.03004	2.0
161.04549	6.6
165.01895	1.2
165.05597	1.7
167.03427	1.5
179.05603	2.1
195.06654	1.7
209.04543	21.1
210.05118	1.4
231.07701	1.3
315.07227	2.6
347.11407	2.6
391.23328	10.4
393.80026	1.0
407.08084	2.4
451.09631	1.2
516.40417	1.0
553.28632	100.0
554.28815	10.9
562.79437	1.1
583.20416	1.6
613.14001	8.6
613.22595	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	613.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03439	1.8
59.01381	22.5
60.01283	0.5
61.98831	5.9
63.96872	0.5
64.54309	0.5
69.49918	3.0
69.50330	0.9
71.01383	22.3
72.99310	0.8
73.02949	9.0
75.00876	1.0
79.12855	0.6
83.01385	4.1
85.02946	12.5
87.00858	2.0
89.02447	5.2
95.01394	2.6
97.02927	0.7
99.00869	3.8
101.02445	23.0
108.02212	1.3
109.02974	1.0
111.00877	2.0
113.02447	11.2
119.03491	1.3
125.02434	1.5
129.01936	0.7
131.03445	0.7
143.03465	0.8
152.01117	1.5
153.01939	1.5
159.03014	2.6
161.04565	9.1
168.00598	0.9
174.81126	0.6
227.09348	0.6
229.18121	1.0
283.15616	0.7
315.07346	0.9
391.23404	11.5
525.32605	0.7
553.28638	100.0
554.28998	11.9
613.13788	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	613.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
61.98834	15.0
64.83173	0.6
69.03450	1.9
69.30595	1.6
69.31006	5.2
71.01392	5.3
71.62842	0.7
72.99300	0.8
73.02958	1.9
75.00871	1.2
81.03466	1.7
82.02985	1.5
83.01392	1.8
85.02952	4.5
87.00821	0.7
89.02451	2.7
91.34963	0.7
93.03461	1.5
94.61648	0.7
95.01382	2.8
97.02952	1.1
98.20650	1.3
101.02441	3.5
107.02995	0.7
107.73007	0.7
108.02179	64.8
109.02966	36.6
110.03268	1.0
110.73647	0.7
113.02435	3.1
119.03539	0.8
121.02960	3.6
123.00893	2.3
123.04527	1.5
125.02463	3.6
134.66582	0.7
135.04510	1.8
135.49664	0.7
137.02422	1.6
149.02434	1.9
149.04546	2.2
151.04004	2.5
152.01160	68.5
153.01945	56.2
154.02289	1.4
161.02428	0.7
161.04620	0.8
163.04039	2.3
165.01935	2.9
166.08896	0.7
167.03470	1.3
168.41360	0.7
175.04001	1.0
177.01987	1.2
177.44038	0.7
179.03526	1.2
179.05635	0.8
195.02928	2.0
199.09702	0.8
209.04535	0.9
225.07736	0.8
231.07799	1.4
248.62379	0.7
259.07230	0.7
291.09924	1.3
297.06180	3.5
315.07227	37.3
316.07510	2.6
451.08817	10.4
488.41806	0.7
553.28516	6.8
613.14038	100.0
613.22284	6.3
614.14337	13.8
614.22003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01386	22.2
61.79119	1.2
61.98833	100.0
69.43095	10.3
71.01394	15.4
72.99290	2.2
73.02972	4.6
75.00858	1.8
83.01392	1.8
85.02946	3.1
87.00891	3.5
89.02433	8.3
93.03482	1.5
94.04900	1.6
95.01410	1.8
95.66534	1.2
99.00817	1.6
101.02448	7.3
108.02159	1.4
109.02979	3.4
111.00883	2.5
112.55502	1.4
113.02439	7.5
115.02748	1.5
116.92869	1.8
119.03513	4.1
120.99593	1.4
121.02953	3.2
123.04535	2.6
125.02448	11.6
135.04521	2.5
137.02437	8.3
137.76581	1.3
139.03981	1.9
143.03551	2.0
149.02492	2.5
149.99565	2.0
151.04033	2.4
161.02420	3.1
161.04535	2.0
163.04001	2.2
165.01961	5.3
167.03484	1.9
168.00630	3.1
175.04051	1.5
177.01923	2.3
179.03493	1.9
179.05528	1.5
192.04164	1.7
195.06601	2.2
225.07620	1.5
252.10799	1.6
283.15350	2.0
289.07169	4.9
297.09125	1.7
323.13538	17.4
324.13849	1.4
329.11383	1.5
331.08154	3.5
334.75659	1.3
391.22809	1.9
407.08118	1.8
443.50354	1.5
451.10394	2.5
525.98810	1.5
550.47626	1.3
552.27539	2.2
553.27936	10.9
565.19720	1.7
613.14233	5.4
613.22925	2.4
614.16388	1.9
631.95959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.2
59.01379	0.7
61.98832	100.0
63.98701	0.2
64.98837	0.2
69.51824	1.6
71.01408	1.0
72.99310	0.3
73.02947	0.2
75.00920	0.2
85.02971	0.2
85.49967	0.2
87.00882	0.4
88.98794	0.5
89.02473	0.6
101.02464	0.4
105.01967	0.3
109.02993	0.4
113.02528	0.3
119.03463	0.2
125.02460	0.5
133.02977	0.5
135.04460	0.3
137.02483	0.6
142.70154	0.2
147.75218	0.2
149.02463	0.4
150.03084	0.3
151.04041	0.4
160.04051	2.5
161.02440	2.2
161.09798	0.3
165.01894	0.3
165.05548	0.4
166.02275	0.2
177.01942	1.3
178.02396	0.4
179.03564	0.3
179.10872	0.5
180.11177	0.5
180.85129	0.2
184.61952	0.2
192.04291	0.4
192.72202	0.2
193.04578	0.3
195.06639	0.4
196.75525	0.2
205.05141	0.3
221.11861	0.4
289.07132	0.3
388.13693	0.2
459.92319	0.2
506.02444	0.2
516.09729	0.2
536.49219	0.2
549.23511	2.0
550.24402	0.2
596.24817	0.2
606.84265	0.2
612.21155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52308	0.3
56.24878	0.3
57.03465	0.3
59.01381	1.8
61.98835	100.0
71.01393	1.7
72.99315	0.4
73.02950	0.5
83.01411	1.0
85.02986	0.6
87.00938	0.6
88.98824	1.2
89.02453	0.7
98.20611	0.9
101.02481	0.9
107.31590	0.3
109.02957	0.5
111.00909	0.3
113.02470	0.7
116.05040	0.4
116.79962	0.3
116.92905	0.6
123.04536	0.7
125.02480	1.3
133.03004	0.5
137.02443	1.9
149.02496	1.0
150.03125	0.5
150.91722	0.3
151.04031	1.0
160.04056	4.3
161.02466	2.2
161.09778	0.4
165.01959	1.2
177.01979	1.9
178.02309	1.0
179.03529	0.3
179.10805	1.2
180.04289	0.4
180.11154	0.7
181.05043	0.4
190.02806	0.3
192.04306	0.7
193.04727	0.5
195.06717	1.3
207.06660	0.4
221.11871	0.9
225.07722	0.5
255.03012	0.3
267.32840	0.3
289.07324	0.9
300.02792	0.5
301.03293	0.8
301.07123	0.3
302.03906	0.4
334.24615	0.3
340.43250	0.3
448.09448	0.9
516.10083	0.6
548.13208	0.5
549.23108	2.1
590.28198	0.4
612.21289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36361	0.8
55.01874	1.8
56.44764	0.9
57.03445	2.4
58.00592	1.2
59.01380	100.0
60.01724	1.0
61.98831	5.9
68.78948	0.9
69.64941	3.1
69.65351	2.5
71.01385	39.6
72.99323	2.8
73.02947	10.0
75.00894	1.0
81.03459	1.5
83.01402	6.1
85.02951	14.6
87.00890	2.8
88.98832	2.4
89.02451	18.8
93.03486	1.2
95.01395	3.8
95.04996	1.1
97.02951	2.2
97.67816	0.9
99.00885	4.0
101.02441	25.8
108.02250	1.6
109.02951	2.6
113.02451	16.0
115.00356	1.7
119.03506	8.9
119.05038	1.1
121.02964	4.3
123.04523	4.9
125.02438	8.1
129.01904	1.1
131.03491	1.3
135.04550	2.5
137.02489	2.1
143.03503	3.7
149.02513	1.3
149.04488	1.0
151.00349	1.0
151.04057	3.0
152.01115	1.7
155.10858	1.0
159.03033	2.4
161.02472	1.7
161.04555	22.6
163.03990	1.9
165.01884	2.1
167.03529	3.8
175.02530	1.4
177.01929	1.2
179.03557	1.4
179.05589	6.3
183.04485	0.9
197.04521	1.4
205.69608	0.8
209.04623	9.9
227.16522	3.2
235.02467	1.4
239.05556	6.6
243.02805	1.1
269.06671	1.4
289.07175	2.3
312.54733	1.0
371.07755	5.4
371.20587	1.4
389.21774	23.7
390.22147	2.2
401.08511	4.3
431.09854	1.2
437.08740	0.9
473.11096	1.1
491.11926	1.7
551.27087	66.1
552.27197	7.7
611.16406	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50270	0.2
57.65807	0.1
59.01373	1.2
59.76371	0.1
61.98832	100.0
62.98534	0.2
63.62396	0.1
68.99570	0.2
69.03453	0.2
69.28301	0.1
71.01382	0.9
71.64962	0.2
72.99308	0.1
73.02949	0.3
75.00871	0.3
83.78370	0.2
85.02956	0.4
88.98839	0.5
89.02422	0.9
101.02433	0.8
102.87777	0.2
113.02422	0.4
125.02460	0.3
132.00757	0.2
151.07657	0.3
154.20561	0.1
179.10725	0.2
181.12343	0.2
183.10316	0.2
196.44632	0.1
205.04904	0.2
206.05119	0.2
243.02243	0.7
244.02762	0.2
251.64662	0.1
266.77246	0.1
285.03998	0.2
289.07068	0.2
303.37610	0.1
355.24957	0.5
384.35977	0.2
409.90854	0.2
611.31030	0.2
612.19629	0.3
612.31311	0.6
613.31842	0.3
613.40771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01092	1.4
59.01382	27.9
60.99309	16.3
61.98833	29.7
63.99244	0.7
69.29571	3.0
69.30000	4.5
71.01381	4.1
72.75560	0.8
72.99314	1.1
73.02933	1.2
83.01397	1.0
85.02973	1.6
87.00870	1.2
88.00408	1.5
88.98810	100.0
89.02451	16.6
89.99155	1.2
93.03479	1.6
97.02989	1.3
98.20667	1.1
99.00809	0.7
99.37762	0.7
101.02446	1.4
109.02921	1.3
113.02470	1.2
119.03500	0.9
121.02971	1.1
122.03777	0.8
123.04546	2.6
125.02454	1.2
137.02448	2.1
147.04420	0.7
149.02475	2.4
150.03224	2.1
153.09204	0.8
154.22316	0.7
161.09738	0.9
163.04031	1.1
164.04820	0.9
165.01962	1.4
165.05583	2.5
179.10800	6.1
195.06696	3.6
203.07184	1.1
205.05066	1.2
213.05562	1.1
221.11865	1.2
223.06114	1.2
225.11324	2.1
257.08289	0.9
301.07074	1.0
341.14014	3.0
506.03522	0.7
556.11945	0.8
610.31360	0.9
611.19501	5.4
611.31061	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
57.03453	5.2
58.00582	2.6
59.01380	58.5
61.98830	37.0
71.01384	61.8
71.62362	1.9
72.99310	6.3
73.02940	11.9
75.00861	2.0
76.74603	1.5
83.01384	6.4
85.02949	22.1
87.00884	4.1
88.98795	2.6
89.02447	51.5
90.55341	1.4
95.01393	5.7
97.02946	2.0
99.00866	3.6
101.02445	38.0
109.02984	3.9
113.02454	30.1
119.03502	22.7
121.02969	3.1
123.04533	1.8
125.02444	12.9
131.03468	2.0
133.02991	1.9
137.02431	4.5
143.03473	6.0
147.04509	2.1
149.02379	2.0
149.04524	3.1
151.04001	1.6
161.02480	2.4
161.04561	16.4
163.00291	1.5
163.03946	2.4
165.01884	3.7
167.03465	4.1
179.05611	29.8
190.02605	1.6
201.05650	1.8
205.05132	2.4
223.08209	2.0
255.02997	2.7
270.49304	1.5
271.02481	6.3
283.02304	1.6
284.65594	1.6
285.04050	3.7
289.07214	2.9
297.03922	2.5
299.01917	9.1
299.05426	3.3
300.02747	4.5
301.03549	8.5
313.03510	6.4
313.06808	1.5
314.04291	2.1
327.05209	9.7
329.11722	2.0
334.27954	1.7
357.05841	1.7
369.06152	3.1
387.20233	14.1
399.06894	2.5
431.19009	3.4
447.09131	8.2
462.08090	2.5
463.08948	3.4
476.09290	1.8
489.10272	3.6
519.12347	2.0
549.25507	100.0
550.25696	12.8
609.14099	34.7
609.28778	2.3
610.14990	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28925	1.6
55.01878	1.9
57.03445	5.2
58.00591	2.1
59.01091	2.3
59.01380	31.0
61.98831	23.6
69.66164	1.6
70.26831	4.5
70.27191	3.0
71.01384	43.9
72.91657	1.7
72.99326	1.7
73.02943	8.3
75.00877	1.7
83.01385	7.2
85.02956	14.5
87.00883	5.0
89.02448	23.4
95.01402	2.7
97.02950	2.6
99.00882	4.9
101.02446	28.9
109.02970	3.4
113.02468	15.7
119.03524	9.7
121.70743	1.7
125.02447	16.4
131.03493	3.4
137.02452	3.6
138.06844	4.4
139.03902	1.5
143.03513	2.1
145.65125	1.5
149.04501	2.8
151.03960	3.7
153.09216	18.7
161.04573	12.7
165.01880	2.4
167.03461	6.8
167.65103	1.7
179.05550	6.1
197.91434	1.9
199.07095	1.4
209.63594	1.8
221.06583	2.8
225.14948	29.1
266.05869	2.4
271.02554	1.6
272.25671	1.6
301.03531	4.0
323.09702	6.3
387.20279	23.3
447.09073	2.5
547.12457	2.8
549.25531	100.0
550.25995	14.2
609.11896	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	609.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95864	5.2
61.98827	21.1
69.66734	29.4
72.67799	5.7
98.19783	5.9
101.72080	6.2
105.44715	5.5
263.87082	5.8
273.83521	5.5
279.23273	100.0
280.23761	6.2
317.75760	6.0
484.17645	8.2
572.65222	7.2
574.12976	8.4
609.14325	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	609.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	63.6
61.98519	3.3
61.98833	65.8
62.45372	2.0
68.99568	13.6
69.51149	2.3
71.01385	32.1
72.99308	3.0
73.02944	29.1
83.01360	2.9
85.02951	11.8
86.00086	2.3
87.00875	8.5
87.04518	3.6
89.02442	19.6
93.03446	2.9
101.02451	39.4
101.03980	4.1
103.04007	20.8
113.02407	2.6
115.04033	6.2
117.03468	4.4
119.03466	7.1
121.04585	20.0
125.02431	9.3
131.03473	5.6
135.04529	12.0
137.04086	4.4
141.05231	20.9
143.03476	9.6
145.05028	3.8
153.05548	6.6
163.06133	38.4
165.03574	6.1
173.52310	2.5
179.10783	2.6
185.04158	5.3
205.04791	76.3
205.07082	20.4
206.05083	3.5
241.02492	100.0
242.02829	5.1
271.02408	5.5
300.02493	3.2
325.04303	4.1
343.08011	2.8
414.82907	2.2
436.92056	2.3
534.89850	2.7
609.14740	4.6
609.25842	3.3
625.40997	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	609.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84146	2.9
55.01898	3.4
57.03439	5.2
58.00595	2.6
59.01093	4.6
59.01385	74.8
61.98836	46.5
62.46924	2.8
69.60282	22.6
71.01384	61.5
71.72101	2.9
72.99290	6.0
73.02940	10.0
75.00864	9.8
83.01383	13.7
85.02958	17.5
87.00877	5.8
88.98810	7.3
89.02458	33.8
95.01398	4.3
95.79518	3.2
97.02965	3.2
98.19833	6.1
99.00896	5.1
99.04525	3.9
101.02452	44.0
103.62334	3.1
109.02953	6.8
111.00911	4.3
113.02447	21.1
114.32607	3.1
117.03418	3.9
119.03542	16.7
121.27515	3.1
123.00896	5.5
123.04504	6.6
125.02470	15.9
137.02420	12.6
139.00392	4.0
143.03464	6.9
145.02954	15.8
151.00284	3.3
151.04053	4.7
152.01088	3.5
152.55876	3.1
153.01898	3.4
153.09174	12.0
159.02985	3.9
161.02423	4.3
161.04602	17.2
163.06097	4.0
165.01924	13.8
167.03493	12.8
175.04070	5.2
179.05600	10.5
180.04233	6.1
195.06601	7.8
196.76807	3.4
203.03377	2.9
225.07657	8.6
225.14911	18.6
227.03481	6.9
243.02866	5.7
255.02936	17.8
271.02451	26.6
272.02548	3.6
284.03235	13.5
285.04050	15.4
299.01938	3.3
300.02786	39.0
301.03403	3.9
313.03525	10.6
337.09320	7.1
387.20392	14.3
447.13239	6.4
479.79526	3.7
491.21375	11.7
549.25439	100.0
550.25848	12.9
591.11304	3.9
609.14233	64.9
609.23541	5.3
610.15118	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.2
61.98828	12.6
63.91726	0.9
65.60170	1.1
69.66943	4.8
71.01367	4.1
72.99316	1.0
75.00871	1.0
81.03422	1.8
83.01395	2.5
85.02977	1.6
88.98789	3.5
89.02437	4.3
95.01377	1.1
98.20618	1.6
101.02442	2.6
107.01400	1.8
109.02947	4.5
111.00904	1.7
113.02470	2.0
119.03442	1.4
119.05100	1.6
121.02911	1.6
123.00898	1.7
123.04526	1.6
125.02439	8.8
132.02148	1.2
133.02957	10.5
133.06670	1.2
134.03674	1.0
135.04521	1.3
137.02429	4.1
138.05569	1.0
139.03973	1.4
149.02466	3.0
149.06096	1.2
151.03983	2.9
161.02444	2.8
163.03966	1.8
165.01906	3.0
167.03458	4.2
170.18451	1.2
172.85735	1.1
175.03989	3.9
177.01939	6.5
177.05612	2.6
179.03526	2.4
189.05504	1.9
191.03520	2.3
196.05301	1.0
199.04039	1.7
203.03622	2.6
205.01472	2.5
205.05209	1.2
217.05046	1.7
227.03571	1.6
243.02971	1.6
245.04585	2.5
253.05051	1.2
255.02892	2.0
257.04681	1.1
271.02402	3.0
279.68521	1.3
283.06198	2.5
285.04099	3.1
287.05209	1.1
295.06183	2.1
297.04044	3.8
298.04810	10.5
299.01947	3.4
299.05545	5.3
300.02478	1.5
301.03442	3.2
309.04031	1.7
311.05661	8.4
312.06409	10.0
313.07153	10.7
315.05154	1.3
323.05435	3.0
325.07043	2.6
327.05136	9.5
338.04437	1.4
339.05054	18.1
340.05478	1.9
341.06628	6.7
344.05185	1.3
346.97681	1.2
351.05142	2.1
353.06592	4.2
357.06024	3.2
369.06131	50.1
370.06479	4.6
371.07703	1.5
381.06192	6.8
383.07669	1.9
399.07181	33.9
400.07367	2.9
411.07126	5.0
413.08908	1.6
429.08044	7.6
439.06442	2.3
441.08597	3.0
447.09109	1.7
471.09406	3.0
489.10379	40.3
490.10645	5.0
519.11292	11.9
591.13367	4.1
609.14563	100.0
610.14642	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	609.1459
Annotation	Rutine
Peak:m/z	Relative Intensity
63.90364	0.8
69.41455	2.9
69.41876	3.7
94.44728	0.6
107.01392	1.7
108.02183	0.8
121.02968	1.5
151.00380	9.6
163.00398	1.7
167.50397	0.9
178.99883	6.0
199.04123	1.0
209.53117	0.7
218.82611	0.8
227.03453	2.0
240.31660	0.7
243.02953	5.1
254.02106	1.1
254.61670	0.8
255.02965	16.6
256.03503	1.3
271.02478	37.7
272.02975	2.7
273.03912	1.1
283.02533	1.0
299.02176	0.8
300.02753	100.0
301.03491	41.1
302.03955	2.1
343.04807	1.2
417.76184	0.9
468.95880	0.8
551.44550	0.7
609.14600	96.2
610.14966	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82961	0.9
56.71931	0.8
57.03434	1.1
59.01369	2.1
61.04999	0.8
61.98838	5.7
68.82266	0.8
69.76457	3.2
69.76865	1.6
71.01378	2.5
81.82948	0.8
83.01369	1.3
85.02939	1.4
86.88537	0.8
88.98782	0.9
89.02446	1.8
90.93871	0.8
92.03557	0.8
95.01348	1.4
96.67685	0.7
98.20599	1.5
101.02450	1.6
109.02934	3.6
113.02482	0.8
121.02943	1.5
125.02451	4.8
133.02943	12.5
135.04492	2.3
137.02444	2.9
138.17851	0.9
139.04001	1.1
147.04485	1.0
147.50775	0.8
149.02402	2.5
151.04018	1.4
161.02486	2.0
163.03979	2.2
165.01967	1.4
167.03514	1.4
175.04031	3.5
177.01894	3.7
177.05417	1.1
179.03479	2.1
189.01976	1.2
189.05534	1.6
191.03485	1.3
199.04126	1.1
201.01939	1.7
203.03510	1.3
205.05063	1.6
217.04924	1.3
223.07739	1.0
227.03391	1.1
233.04608	1.4
240.04250	0.8
245.04449	1.0
253.05017	0.9
255.02972	2.1
267.06534	1.7
269.04578	1.2
271.02420	1.7
275.05667	1.0
281.04782	0.9
283.06219	1.8
284.03476	1.0
285.04150	1.2
293.04596	0.9
297.04056	3.4
298.04831	9.6
299.02197	1.5
299.05515	3.4
300.02673	2.3
301.03616	2.0
305.06555	1.0
309.03778	1.5
311.05548	8.8
312.06470	9.7
313.03577	1.6
313.07062	10.0
323.05457	1.4
325.06873	1.6
327.05139	5.8
339.05099	15.7
341.06573	7.0
351.05185	2.1
353.06622	4.9
357.06265	2.4
369.06134	53.2
370.06250	4.1
381.06052	5.2
383.07602	1.8
393.06378	1.1
399.07178	35.3
400.07443	2.8
411.07132	5.3
423.06891	1.0
429.08151	7.0
441.08453	2.1
447.09543	1.1
459.09161	1.0
471.09204	2.9
489.10376	44.5
490.10495	4.5
519.11365	13.2
520.11414	2.4
531.11548	1.1
591.13550	2.8
609.14532	100.0
610.14813	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	609.125
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
54.41911	1.1
55.13760	1.2
57.03447	2.3
58.00583	1.0
59.01387	13.0
61.98837	100.0
63.02395	2.4
65.00318	3.2
65.13822	1.0
70.79085	2.0
71.01385	11.0
72.99332	1.7
73.02955	1.9
75.00869	2.9
81.08079	1.0
83.01401	6.1
85.02962	4.3
87.00885	1.5
88.98807	4.6
89.02444	4.3
90.99867	1.1
93.03484	2.7
95.01379	1.1
97.02936	1.4
99.00881	1.5
101.02433	5.4
107.01388	8.7
108.02143	1.6
109.02950	5.5
113.02442	3.6
117.03516	1.2
119.05042	1.5
121.02967	7.3
123.04547	2.8
123.08186	1.5
125.02428	4.6
133.02968	26.6
135.04518	9.2
137.02394	2.6
141.09274	1.8
147.04582	1.7
149.02443	2.4
149.04514	1.2
151.00385	33.0
151.03989	3.5
161.02458	7.3
161.04514	3.0
161.06047	1.2
163.00372	5.5
164.01236	1.2
165.01901	2.2
169.01430	2.7
175.03955	1.6
177.01942	8.2
178.99889	14.3
179.03514	3.4
179.10799	4.1
183.04416	1.6
185.06123	1.3
187.04021	1.7
191.00020	1.4
201.05580	1.9
207.10207	1.1
211.04105	1.8
226.02657	1.3
227.03403	7.4
229.05005	3.3
243.03006	7.0
245.04488	3.2
251.11485	1.3
255.03024	18.2
256.03568	1.5
257.04651	1.2
271.02512	31.7
272.02835	2.0
273.04071	3.9
283.02515	1.7
284.03278	7.5
285.04062	12.4
289.06949	1.3
299.02173	1.9
300.02802	55.4
301.03549	93.3
302.03940	5.4
316.02222	2.5
317.03021	4.1
375.27621	2.5
416.58170	1.2
417.25043	3.6
431.09848	9.2
440.83905	1.2
447.09399	47.6
448.09769	4.2
449.91257	1.2
463.09256	1.7
549.30011	5.1
609.12720	49.7
609.27765	6.4
610.13068	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	609.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93760	1.0
57.03448	6.0
63.14123	1.0
67.38274	1.0
69.98739	4.8
71.10483	1.0
81.03461	4.0
83.01389	21.8
93.03459	1.9
95.05017	3.7
97.02939	3.9
99.04506	2.6
109.02953	5.0
121.02951	2.3
123.00883	2.8
123.04526	2.1
125.02454	25.4
137.02443	21.7
137.06078	1.2
138.03207	3.7
139.04019	9.7
145.02959	1.7
149.02434	2.7
150.97395	1.0
151.03998	3.5
159.04524	2.1
161.02438	2.5
161.06059	1.5
162.03207	1.1
163.03986	1.9
164.01151	5.9
165.01945	10.8
167.03491	23.5
173.02362	1.5
173.06108	1.5
174.03093	1.3
175.04037	5.1
176.01082	1.1
177.01933	10.9
177.05594	1.6
178.02550	1.5
179.03491	5.5
181.05054	2.8
183.04431	1.5
185.06044	1.4
187.04007	2.3
189.01964	1.2
189.05566	2.4
191.03467	3.8
197.82060	1.2
198.03197	1.8
199.03955	4.4
201.01955	1.1
201.05652	2.4
203.03490	2.9
204.04135	1.0
211.04048	3.6
213.02023	1.6
213.05600	3.9
215.03522	6.7
216.04352	2.3
217.04982	2.6
219.02957	4.6
220.03722	3.9
227.03490	5.7
227.07091	1.1
228.04253	2.1
229.05167	5.0
230.02190	1.7
231.03000	2.2
231.06575	3.5
233.04491	1.8
238.33043	1.2
239.03458	2.4
241.01369	1.4
241.05128	5.3
242.02127	4.5
243.02974	14.3
244.03749	6.2
245.00772	1.2
245.04623	5.3
246.01715	1.4
247.02382	1.7
248.03349	1.7
251.03394	2.4
253.05057	2.5
255.03009	4.9
256.03760	3.3
257.04556	12.7
258.01718	1.5
259.02420	16.8
259.05685	2.3
260.03293	13.3
261.04047	10.1
262.04807	4.5
263.05515	2.0
267.02988	2.2
267.06259	1.2
268.03659	1.2
269.04462	5.4
270.01804	1.4
271.02432	4.5
272.03333	5.7
273.03986	11.7
275.05579	4.5
279.03079	1.4
281.04535	4.6
283.02438	3.3
285.04068	9.4
286.04620	2.5
287.01993	3.7
287.05612	5.7
288.02747	7.1
289.03442	5.0
291.05222	4.0
297.04016	7.0
299.02167	2.0
299.05359	5.8
300.02765	1.7
301.03534	3.4
302.04138	1.2
303.05035	9.4
305.06622	3.6
307.05817	1.2
309.04095	2.5
311.05392	1.3
312.02600	2.3
313.03571	1.7
315.05069	6.2
325.07120	1.7
326.54034	1.2
327.05066	6.6
329.03052	1.4
333.06030	7.8
339.04977	2.2
343.04520	1.3
343.08304	1.4
345.06015	2.1
379.08286	2.3
383.07681	1.2
397.09003	1.7
403.10455	1.4
411.06934	1.4
421.09058	1.6
425.08920	2.5
427.10748	1.5
429.08173	1.5
439.10297	2.6
441.08295	7.1
443.09616	2.6
453.08215	8.8
465.07999	2.1
471.09326	45.3
472.09610	3.9
481.11630	4.0
483.09375	3.9
525.10400	3.0
529.11139	1.1
547.12268	1.2
551.08008	1.4
565.13568	8.6
567.11121	2.3
582.54834	1.3
591.11334	7.9
592.11670	2.0
609.12463	100.0
610.12793	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	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31343	0.4
57.52833	0.4
59.01394	1.0
61.98838	100.0
71.62176	0.7
88.98818	0.6
121.02981	0.4
149.02455	2.5
150.03256	0.9
164.04816	0.7
165.05582	1.0
265.15656	0.4
271.02686	0.6
300.02939	1.0
315.05191	0.7
335.57260	0.5
561.28497	2.8
609.15082	0.9
626.63281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83878	0.3
54.10158	0.2
54.52637	0.3
57.03460	0.4
59.01385	2.8
61.98833	100.0
65.64975	0.3
67.53909	0.3
67.65613	0.3
67.92091	0.3
69.03471	0.3
71.01395	1.6
71.63641	0.4
73.02951	0.5
75.00872	0.4
83.01397	0.6
87.00891	0.4
88.98825	1.8
89.02458	1.1
95.05054	0.4
99.00920	0.4
101.02460	1.0
102.02876	0.4
109.02943	0.7
113.02457	0.8
121.02950	0.4
123.04566	0.7
125.02439	1.5
137.02486	0.8
139.04138	0.3
149.02496	0.6
151.03976	1.7
161.02446	0.4
161.04581	0.4
163.04002	0.4
165.01947	0.9
175.00441	0.3
177.01880	0.5
190.02734	0.7
193.01440	0.3
205.05074	1.2
208.03789	0.6
212.81439	0.3
223.06235	1.5
271.02399	0.6
285.03931	0.5
289.07169	1.4
300.02695	0.7
549.33838	0.3
608.28943	0.3
609.05200	0.4
609.15094	1.2
609.26923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1668
Annotation	Neodiosmin
Peak:m/z	Relative Intensity
57.97237	0.6
59.01379	5.3
61.98830	7.7
62.17009	0.6
71.01371	3.7
71.62535	0.6
73.02942	2.0
75.00890	0.7
79.24468	0.6
83.01385	1.5
85.02950	2.6
87.00872	1.1
88.98824	3.2
89.02423	2.1
95.01369	0.7
97.02950	1.1
99.00906	0.7
101.02470	4.9
107.01344	0.8
109.02943	1.0
113.02476	1.4
114.12635	0.6
121.02957	1.7
124.01642	0.8
125.02428	2.3
131.03493	0.8
137.02455	2.0
145.03000	0.7
149.02444	0.7
151.00391	1.8
151.03963	1.0
161.04500	0.7
163.00269	0.6
165.01923	1.3
167.03560	0.9
179.10793	1.3
206.23434	0.7
214.02646	0.7
216.23715	0.6
227.03397	1.0
255.02988	38.1
256.03534	4.4
259.02490	1.1
265.14468	1.2
269.04559	4.6
283.02487	17.7
284.03247	68.5
285.03857	8.4
287.02069	0.7
288.02618	1.1
289.07553	0.9
297.04041	12.2
298.04684	8.4
299.05594	100.0
300.05917	6.9
347.24451	0.9
354.30011	0.7
370.15982	0.6
443.09802	2.1
473.65381	0.7
511.25415	1.3
529.26373	3.4
533.19849	0.7
547.27802	1.8
607.16669	76.1
608.17035	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	607.1667
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
57.03454	5.5
58.00593	1.6
59.01383	40.2
60.79371	1.3
61.98833	5.6
70.11319	5.5
70.11652	1.4
71.01375	11.4
72.99317	3.9
73.02934	6.9
83.01400	2.6
85.02962	6.9
89.02463	5.8
93.99207	1.2
95.05043	2.0
98.19953	2.3
99.04536	1.7
101.02460	5.1
103.04025	2.3
109.02994	1.7
125.02438	20.3
137.02435	8.9
142.25020	1.5
151.04167	2.0
163.00360	1.5
164.01195	4.0
165.01987	3.1
167.03526	6.1
169.01418	1.8
175.00461	4.1
177.01930	6.5
179.03529	2.9
181.05112	2.1
183.04536	1.8
186.03293	1.6
187.04094	2.4
199.04117	2.0
211.04094	4.0
213.01987	1.5
213.05652	4.1
214.02773	1.8
215.03555	2.3
223.04160	2.2
227.03554	4.4
229.05202	1.7
239.03540	1.8
240.04346	1.8
241.01598	2.6
241.05048	3.0
242.02296	2.8
243.03073	4.5
251.03566	3.9
253.04863	1.7
254.05637	1.5
255.03117	4.0
256.03860	2.2
257.04623	6.2
258.01550	1.5
259.02487	15.8
260.03232	7.8
261.03952	2.7
267.02963	3.3
269.04639	5.5
271.02704	2.5
271.06360	1.4
272.03271	2.0
273.04068	8.2
279.03101	4.6
280.03751	9.3
281.04523	3.4
282.01611	1.6
283.02539	2.4
284.03445	2.3
285.04147	5.9
287.02133	4.9
287.05429	1.7
288.02808	2.7
289.03360	1.8
295.02640	4.3
296.03296	2.6
297.04050	20.3
298.04718	10.9
299.02188	6.3
299.05762	6.0
300.02911	2.0
301.03741	3.8
303.04990	3.5
307.02609	5.0
308.03235	38.8
309.03958	12.1
310.04861	2.2
311.05783	3.3
312.02960	1.9
312.06415	2.5
313.03586	10.2
313.07001	2.3
315.05106	22.5
315.08258	1.7
316.05783	2.2
319.02536	2.3
323.05591	69.9
324.06149	4.5
325.03607	3.0
325.07352	2.1
326.04248	1.6
328.02484	1.6
331.52893	1.6
337.03506	8.2
338.04523	2.1
339.05139	2.3
341.06659	14.8
343.00879	2.2
343.04532	11.2
344.05453	3.4
353.06696	8.8
355.04617	13.8
365.06592	2.9
371.07721	8.8
383.07861	3.8
419.07748	2.2
421.06116	1.4
425.04968	1.8
439.07120	2.2
441.08478	4.0
443.09851	45.6
444.10541	4.8
451.07217	1.9
463.06500	7.4
469.07721	19.6
481.07718	20.9
482.08197	2.2
487.12662	2.7
550.20551	1.4
563.12408	2.8
607.17157	100.0
608.17474	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	607.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36809	0.5
59.01378	4.7
61.98837	96.0
62.98555	0.7
65.59962	0.6
71.01389	2.8
71.62982	0.7
74.45433	0.7
83.01428	0.7
85.02978	0.9
87.00887	0.7
88.98835	0.6
89.02473	1.6
93.03447	0.8
99.04543	0.8
101.02470	2.0
107.01434	0.9
108.02201	0.7
113.02480	1.6
117.03481	2.4
119.05044	6.0
125.02453	1.0
145.02963	9.1
148.01680	0.8
151.00397	2.4
151.56984	0.6
163.00391	1.0
163.04031	3.0
165.01862	0.9
183.04439	0.8
187.03999	1.8
199.03969	1.8
201.01979	0.9
215.03391	0.8
216.04030	0.9
227.03539	3.3
234.09880	0.6
242.02209	1.4
243.02991	11.3
244.03761	1.5
254.02216	1.0
255.03008	13.6
256.03516	1.1
257.04648	0.9
270.01776	1.2
271.02490	28.5
272.03064	4.3
284.03000	0.7
285.04105	1.7
286.04770	0.8
287.05554	1.4
291.08685	2.9
299.02014	14.7
300.02753	37.8
301.03104	2.3
313.03604	0.6
314.04352	13.1
315.05115	100.0
316.05481	6.8
443.09912	1.5
547.29449	1.1
607.14557	21.2
607.32813	1.9
608.15521	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	607.1461
Annotation	CHEBI:68144
Peak:m/z	Relative Intensity
50.90964	1.8
57.03452	5.7
57.45301	1.7
59.01377	6.0
61.98837	8.1
69.03457	3.6
69.60365	13.8
71.01393	5.2
79.65284	1.6
81.03460	6.9
83.01402	11.1
84.99800	1.8
88.98809	8.6
89.02464	3.0
93.03461	3.8
95.01379	3.5
95.05029	6.4
97.02955	7.8
98.19888	3.7
101.02455	3.4
107.05003	2.5
109.02953	46.0
109.03672	3.1
111.04533	4.9
121.02969	7.9
123.00874	6.9
123.04510	15.2
124.01665	3.4
125.02448	90.5
126.02797	2.9
128.03560	2.4
135.04486	6.6
137.02443	86.1
138.03165	3.9
139.04027	28.6
140.96436	2.0
142.17699	1.8
145.02974	1.8
147.04539	4.7
149.02452	42.2
150.03117	2.2
151.04005	24.4
159.04482	3.7
160.05367	1.8
161.02435	7.9
161.06070	3.1
162.03195	2.2
163.03969	3.7
164.01128	8.6
165.01923	19.3
167.03487	27.8
173.06023	2.0
175.04030	5.3
176.01141	5.3
177.01942	19.4
177.05594	3.5
178.02592	3.2
179.03511	25.6
187.04073	4.9
188.04794	2.9
191.03395	11.8
192.04134	2.5
199.03981	2.2
201.05527	2.2
203.03493	4.5
203.07190	10.0
204.04326	2.9
205.05064	5.6
213.05536	7.0
215.07161	22.4
219.06703	11.2
221.04535	6.0
227.07133	2.3
229.04991	4.9
230.05936	2.2
231.06593	35.5
241.04997	2.2
243.06505	2.7
245.08212	14.0
253.05156	2.3
255.06699	2.1
257.08298	5.3
259.02383	3.8
260.03217	2.9
261.07654	3.7
263.05637	2.3
271.06091	3.6
273.07709	24.1
285.03845	2.4
287.05640	3.1
289.07181	65.0
290.07455	4.1
301.03848	3.3
301.07147	53.3
302.07562	3.7
305.06647	100.0
306.07117	5.4
313.03641	2.8
315.05121	4.1
317.06650	66.2
318.07101	5.4
337.03290	2.2
343.04736	2.5
355.04498	2.4
439.10703	16.1
455.09839	16.4
469.07538	5.1
607.14612	28.7
608.14905	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	607.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	2.2
55.53500	2.1
57.03450	20.8
59.01384	19.3
61.98563	2.7
61.98833	14.1
67.01892	2.3
67.91447	2.7
69.03474	4.1
69.57616	18.0
69.57936	3.4
71.01388	22.9
71.03012	2.1
72.99316	3.7
73.02970	5.7
74.02467	2.6
74.99116	5.2
75.00872	5.5
81.03472	11.5
83.01406	20.2
85.02959	8.4
87.00875	6.8
88.98821	6.1
89.02447	12.4
89.30782	2.6
93.03467	6.9
95.01399	5.4
95.05031	9.8
97.02945	7.2
99.00883	2.7
99.04528	9.5
101.02431	11.2
107.05038	5.3
109.02959	18.8
111.00878	7.9
111.04567	2.8
113.02458	9.4
119.05045	5.6
120.49863	2.4
120.99655	3.7
121.02955	11.6
123.00887	3.7
123.04518	10.3
124.01705	2.6
125.02456	95.3
128.03545	7.7
129.01961	3.2
129.05641	3.0
131.03529	3.4
133.02948	2.8
134.03691	3.0
135.02965	2.8
135.04510	4.8
137.02451	69.3
139.04004	9.9
143.03564	3.1
143.04669	5.4
145.02963	4.3
146.04707	3.4
147.00885	3.5
149.02393	13.0
150.03209	4.9
151.04008	12.7
152.01152	3.2
153.01857	3.2
159.04539	7.8
161.02429	7.1
161.04599	6.0
161.06015	5.2
163.00362	3.8
163.03978	4.9
164.01173	24.9
165.01956	24.2
166.02640	3.0
167.03520	52.6
168.03941	2.9
169.02792	2.7
169.06564	2.4
171.04515	6.0
173.06113	7.2
174.03113	2.9
175.00366	5.3
175.03996	11.6
176.01190	4.3
177.01978	27.6
178.02496	2.8
179.03516	47.4
179.05238	3.1
179.05746	3.1
181.05054	3.5
183.04523	6.3
185.02533	4.4
185.06058	4.9
186.03232	3.1
187.04056	12.7
189.01915	4.2
189.05708	7.1
190.02640	2.8
191.03485	5.6
195.04671	4.7
197.02409	5.7
197.06142	3.2
198.03229	4.7
199.04016	18.1
199.07547	3.3
201.02036	4.0
201.05597	11.8
203.03511	8.6
205.05067	2.8
210.06142	2.3
211.04001	13.8
212.04721	4.6
213.01956	7.4
213.05527	9.1
214.02681	5.1
215.03543	17.3
215.07108	3.5
217.05110	6.5
223.03993	5.9
225.05559	6.6
226.02777	3.9
227.03500	25.9
228.04117	3.2
229.01390	2.9
229.05086	20.0
230.02097	4.8
231.03012	10.2
231.06587	9.5
238.02701	3.6
239.03513	11.5
240.04205	4.2
241.01332	7.1
241.05106	14.1
242.02213	6.2
242.05721	2.5
243.03096	12.2
244.03827	4.5
245.04494	9.7
247.02444	2.8
251.03493	14.9
253.01508	2.4
253.05211	6.7
254.08032	2.7
255.03059	21.5
256.03708	10.1
257.00952	4.8
257.04553	24.0
257.07266	3.4
258.01642	10.4
259.02478	73.0
260.03210	37.0
261.03943	7.9
265.05042	3.5
266.02032	3.0
267.03033	14.4
268.03647	3.2
269.04468	12.2
271.02463	11.1
272.03207	11.3
272.08972	3.7
273.04028	31.9
274.04611	3.3
275.05685	4.2
279.03012	9.2
280.03702	3.0
281.04553	9.3
282.01694	4.6
283.02472	22.3
283.05646	3.5
285.03986	17.4
286.04691	6.1
287.01999	17.6
287.05569	8.9
288.02725	20.0
289.03442	6.0
289.07278	8.7
293.04526	4.9
295.02582	18.3
295.05902	3.6
296.03159	5.4
297.04004	35.9
298.04477	4.9
299.02032	17.9
299.05164	4.2
300.02341	3.4
301.03525	21.5
301.06909	5.6
303.05084	12.9
305.06729	10.3
306.07654	22.7
307.02518	2.9
309.04004	7.1
311.05743	5.0
312.02780	8.8
313.03491	43.4
315.05093	56.6
317.06833	5.9
319.02530	5.9
325.03656	15.5
325.06815	3.1
328.02396	4.9
331.04639	4.4
337.03378	11.7
343.04596	47.1
355.04541	37.1
356.05054	3.0
359.05701	3.5
365.06534	4.7
379.08453	4.1
383.07443	4.7
395.07721	9.7
407.07675	5.0
419.07669	6.0
421.05621	10.1
423.07144	4.7
425.08844	3.6
426.05899	7.9
427.06631	3.6
437.08505	3.6
439.06662	38.1
440.06851	4.8
441.08209	9.0
451.06616	10.6
463.06787	19.0
469.07788	100.0
470.07993	12.7
481.07736	57.9
482.07986	5.3
489.09369	3.7
519.12842	3.2
547.23511	3.6
563.12067	6.8
589.10114	6.6
607.10730	55.0
607.22589	8.7
608.11298	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.4
58.00576	2.8
59.01379	46.8
61.98828	10.4
71.01371	11.5
72.99305	2.8
73.02977	4.5
81.03481	3.2
83.01402	6.4
85.02953	11.1
89.02453	6.7
95.05045	4.3
99.04541	2.6
101.02440	7.8
103.04021	3.4
114.61097	2.3
119.03501	2.5
125.02457	38.7
126.02779	2.3
133.02969	4.4
137.02446	13.6
139.04041	2.4
139.76337	2.0
145.26193	2.1
149.02502	3.4
151.03981	3.2
159.04478	2.6
161.57625	2.3
163.00314	2.2
164.01154	8.3
165.01949	10.4
167.03479	7.9
171.04443	2.2
171.52272	2.1
175.00374	10.3
175.03912	4.0
176.01147	3.6
177.01888	13.6
179.03587	10.6
181.05048	3.1
181.66779	2.0
185.06065	2.7
187.03944	3.7
191.03464	3.3
197.02530	2.1
199.03905	5.5
201.05641	3.1
209.11723	2.6
211.03975	4.4
213.01955	3.6
213.05495	4.5
214.02736	5.1
215.03456	4.0
223.04047	3.2
225.05527	2.4
227.03429	11.6
229.04919	5.1
230.02245	4.2
231.02980	3.7
237.05498	2.7
239.03426	2.6
241.01424	3.3
241.05066	8.9
242.02232	5.8
243.03015	8.1
244.03807	3.0
245.04388	2.9
251.03526	9.3
252.04112	4.1
253.05119	3.3
255.03000	11.6
256.03732	5.3
257.01257	2.1
257.04535	11.0
258.01682	4.9
259.02454	37.6
259.05380	3.6
259.06195	3.3
260.03152	20.1
261.03729	5.1
265.05060	4.1
267.02960	4.5
269.04544	9.3
272.03204	3.4
273.03946	15.8
275.05533	3.1
279.03003	7.4
280.03763	10.6
281.04495	7.4
283.02554	5.5
284.03094	6.2
285.04034	9.1
287.01959	11.8
287.05173	3.7
288.02777	5.4
289.03683	3.0
295.02267	5.4
296.03235	6.0
297.03955	35.0
298.04822	19.0
299.01987	11.4
299.05563	5.9
300.02802	4.1
301.03540	6.1
303.05176	6.6
307.02551	7.0
308.03244	42.1
309.03830	13.5
311.05649	6.3
312.02731	3.6
313.03571	20.3
314.04050	2.9
315.05081	48.4
316.05383	4.5
319.02399	4.9
322.22464	2.4
323.05603	74.2
324.06036	5.8
325.03635	11.3
325.06848	2.6
327.05350	3.2
337.03577	11.6
338.04132	4.4
341.06686	10.1
343.04639	24.4
344.05212	5.4
353.06662	13.0
355.04559	27.1
365.06598	4.1
371.07901	13.9
377.06592	4.4
379.08246	2.7
383.07764	5.7
395.07858	3.5
437.08588	4.6
439.06683	7.6
441.08435	8.1
443.09799	57.5
444.10123	3.8
451.06699	4.1
463.06805	13.7
469.07681	35.9
470.07767	3.3
481.07730	50.3
482.08429	5.8
487.12613	4.7
535.50543	2.5
545.11005	2.6
563.11932	5.5
589.09955	3.5
607.17572	100.0
608.17834	15.1
614.68182	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	607.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95946	2.2
56.68872	2.2
57.03448	10.8
63.45784	2.3
69.94090	2.0
81.03448	5.6
83.01385	6.2
93.03437	3.8
95.05023	6.9
99.04531	4.9
109.02930	4.9
119.30486	2.0
125.02446	46.0
137.02451	35.9
139.03979	3.9
143.05031	3.0
147.00870	2.9
148.96355	2.1
149.02435	3.0
150.97379	2.2
151.03964	6.1
159.04553	2.9
163.03963	2.5
164.01140	10.9
165.01999	10.4
167.03481	21.6
171.04533	2.1
173.02455	2.6
173.05997	2.8
174.03297	2.6
175.00310	4.0
175.03993	6.6
176.01088	3.2
177.01913	18.4
179.03490	17.5
181.05023	3.5
183.04503	3.8
185.06078	3.9
187.04005	4.6
191.03482	5.0
197.02432	3.5
198.03206	4.1
199.03951	11.3
201.01958	3.6
201.05568	5.5
203.03503	6.1
204.25719	2.3
211.03981	10.1
212.04738	3.1
213.01912	5.6
213.05508	8.4
214.02644	7.7
215.03447	9.6
217.04950	3.7
223.04123	4.9
225.05450	3.6
227.03514	16.4
228.04240	5.1
229.01392	2.3
229.05037	10.3
230.02165	3.2
231.03000	3.7
239.03496	7.3
240.04092	3.2
241.01448	5.2
241.04996	12.5
242.02278	4.8
243.02925	13.0
244.03696	4.2
245.04430	5.3
251.03474	10.5
253.05029	3.2
255.02977	12.5
256.03683	4.1
257.00870	3.0
257.04565	12.7
258.01663	4.6
259.02469	49.2
260.03278	18.4
261.03891	6.5
265.05154	2.8
267.02896	10.2
268.03705	4.6
269.04440	7.2
270.01843	3.1
271.02454	7.9
271.05640	3.0
272.03311	5.1
273.04031	22.2
275.05692	2.5
279.02872	5.9
281.04456	3.8
282.01706	4.4
283.02472	14.0
285.01074	2.3
285.03973	13.1
286.04852	3.4
287.02017	6.6
287.05319	3.5
288.02670	14.3
295.02533	10.4
296.03287	6.3
297.04004	24.9
299.01892	16.4
300.02545	3.2
301.03497	18.5
303.05145	8.4
309.04031	6.4
311.05624	2.5
312.02698	9.0
313.03534	34.0
314.04041	3.2
315.05032	43.4
316.05344	4.0
319.02448	4.6
325.03519	13.9
328.02264	6.6
331.04410	3.9
337.03424	11.3
343.04559	40.5
344.04614	3.2
355.04626	22.8
395.07669	4.4
397.09552	3.6
419.07953	4.9
421.05508	6.0
425.08688	4.1
426.06116	3.4
427.06668	5.5
437.08643	3.2
439.06656	24.2
440.07510	2.4
441.08279	4.6
451.06616	5.7
463.06769	9.4
464.07364	2.7
469.07755	100.0
470.08066	9.3
481.07733	43.2
482.07959	3.5
544.82416	2.3
545.10693	3.7
563.11957	6.1
607.10889	52.8
608.11536	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	606.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00767	0.2
52.79311	0.3
54.29909	0.2
56.58628	0.2
57.03435	0.5
58.00604	0.6
59.01383	9.0
61.98836	100.0
63.99295	0.3
69.44139	2.1
71.01392	5.8
72.99322	0.5
82.61292	0.2
83.01388	0.7
85.02975	1.0
85.06651	0.3
87.00885	0.5
89.02452	5.6
95.01408	0.4
98.20661	0.6
101.02441	4.0
108.08263	0.4
113.02448	2.1
117.03492	0.9
119.03517	2.7
119.05074	0.7
125.02471	0.4
126.09263	0.7
131.03558	0.4
135.04552	0.3
137.02449	0.3
138.09201	0.3
139.23538	0.2
143.03482	0.7
145.02986	2.2
147.84375	0.3
149.04567	0.4
151.00377	0.3
151.04021	0.4
156.10338	0.4
161.04590	0.7
163.04059	0.5
163.06216	0.5
179.05664	1.1
199.04076	0.4
203.10680	0.3
205.05336	0.4
215.03651	0.3
227.03606	0.4
241.21820	0.6
243.03029	2.2
244.03915	0.5
254.02315	0.3
255.03032	3.0
271.02493	6.5
272.03394	0.7
285.04108	0.4
287.22363	0.7
291.08432	0.3
298.98956	0.3
299.01859	1.3
300.02750	8.1
300.05930	0.4
312.25467	0.4
314.04456	1.0
315.05118	24.5
358.75476	0.3
426.32285	4.1
427.32675	0.4
444.33286	1.6
547.33002	0.3
606.29175	0.6
606.38684	7.1
607.14282	1.9
607.39612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
57.03449	3.0
57.58235	0.8
58.00603	1.6
59.01387	38.3
61.98835	47.4
69.03439	0.9
69.29256	7.2
71.01389	39.7
72.99319	2.7
73.02955	16.9
75.00893	1.5
80.65100	0.7
81.03445	0.7
83.01394	11.6
83.71828	0.7
85.02955	19.2
87.00878	3.8
88.98833	2.0
89.02466	6.5
89.63667	0.9
95.01402	2.2
97.02963	2.2
98.20666	1.4
99.00905	5.4
101.02456	32.3
102.02780	1.2
103.04029	2.6
113.02467	16.4
119.03486	1.6
125.02474	3.8
143.03557	1.3
145.05109	1.1
159.03029	3.7
161.04568	15.3
162.04851	0.8
163.06148	3.0
165.01921	0.9
165.05533	0.8
165.45511	0.9
229.07173	1.2
247.08229	1.3
269.81445	0.7
293.08234	0.8
399.23886	29.2
400.24319	3.1
470.64487	0.9
489.64874	0.8
545.29718	100.0
546.30109	12.6
579.50317	0.8
589.27869	0.8
605.25604	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03431	2.0
58.24651	0.8
58.58982	0.8
59.01382	30.6
60.99304	3.1
61.98834	65.6
68.23600	0.7
69.03469	1.4
69.39235	7.2
71.01389	41.7
72.99308	1.7
73.02955	15.5
75.00864	2.2
83.01390	12.4
85.02956	21.3
87.00875	2.4
88.98810	16.9
88.99343	1.7
89.02451	10.9
93.03469	1.0
95.01393	3.1
97.02953	3.6
97.06538	0.8
99.00905	6.0
101.01772	1.8
101.02450	32.5
102.02811	0.9
103.04006	3.0
109.02958	2.6
111.00871	1.4
113.02460	15.3
119.03523	1.9
120.79298	0.9
121.02932	1.9
125.02451	5.6
129.01981	0.9
135.00841	2.1
143.03470	3.2
145.05090	1.3
151.04124	1.0
153.01915	1.4
159.02977	3.1
161.04576	17.2
163.06154	4.9
165.01924	1.1
205.07053	1.1
229.07219	1.0
247.08078	1.3
255.02966	1.4
283.02512	1.0
285.03879	2.9
289.07028	2.3
307.10138	1.3
315.08517	1.2
325.64389	0.9
381.22794	1.9
399.23886	25.1
400.24207	2.2
431.09848	2.0
443.19308	1.0
459.11227	1.1
527.28644	5.9
545.29688	100.0
546.29993	13.9
605.25006	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	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87589	0.3
59.01388	0.4
61.98828	2.1
68.83025	0.3
70.73096	0.9
98.20502	0.5
213.11472	0.3
232.06702	0.3
277.21671	0.4
289.28091	0.4
394.12375	0.4
415.15131	0.5
430.17795	1.2
431.18530	0.4
443.18823	0.5
456.15747	0.4
457.20816	2.3
458.21011	0.6
459.17700	3.1
460.18176	0.4
461.23431	0.4
469.20447	0.5
470.21399	0.8
471.18234	1.6
472.18961	0.7
473.19650	3.9
474.20428	0.6
475.21268	0.7
485.19720	2.2
485.24768	0.7
486.20828	3.4
487.21027	1.5
496.18991	0.8
499.17584	2.5
500.17950	0.6
501.23923	2.8
502.21246	0.8
511.21173	2.9
512.22034	0.5
513.19421	2.5
514.20129	9.0
515.20569	1.3
517.19379	0.6
518.19568	2.0
528.22009	0.5
529.22443	100.0
530.22839	12.8
530.30774	0.6
532.21069	1.9
533.22083	1.9
561.25092	0.8
573.21301	0.8
605.15143	0.5
605.24176	1.0
605.39227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70127	0.9
53.77027	0.7
55.01866	1.3
56.14772	0.8
57.03439	3.9
59.01369	11.3
67.01875	2.0
69.03455	1.3
69.67122	5.4
71.01381	41.0
72.44514	0.8
72.99287	1.1
73.02940	3.9
78.95911	2.0
83.01383	3.8
84.81623	0.8
85.02950	26.8
87.00867	10.7
89.02453	8.0
95.01382	3.1
97.02944	3.3
101.02427	5.8
111.00870	3.0
113.02449	29.4
129.01945	1.8
131.03482	2.7
133.04926	0.9
149.09821	0.8
151.06122	22.6
157.01445	1.3
173.04584	8.3
189.04041	1.1
201.04068	2.0
203.02090	1.3
205.07198	1.4
215.05511	1.1
245.06583	1.8
264.29160	1.0
265.09302	2.4
283.10580	1.0
317.08755	1.9
397.13229	1.2
415.14545	2.3
573.16766	2.9
605.19293	100.0
606.09686	1.5
606.19635	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	605.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02975	0.5
55.01864	1.2
57.03434	2.6
59.01093	0.8
59.01380	11.8
59.19342	0.7
66.73846	0.5
67.01873	0.9
69.03444	1.9
71.01383	37.2
71.61282	0.7
72.99319	1.4
73.02946	2.9
75.00855	0.6
78.95907	1.3
81.03465	0.9
83.01390	3.4
85.02955	26.4
87.00881	10.7
89.02443	7.5
93.56743	0.5
95.01385	3.3
97.02943	2.1
99.00851	1.2
101.02462	4.9
111.00871	2.3
113.02449	29.6
114.02761	0.7
125.02448	0.6
129.01927	1.3
131.03508	2.9
133.05035	1.0
139.00375	1.0
147.80232	0.6
149.04524	0.7
149.71391	0.6
151.06114	21.4
165.04079	1.5
173.04550	8.1
182.78505	0.6
189.04103	0.7
193.46248	0.6
201.04028	2.0
203.05577	0.7
205.07172	1.7
215.05615	1.7
245.06586	1.2
265.09250	2.5
283.10358	1.8
308.66193	0.6
317.08823	2.5
397.13403	0.7
415.14471	2.5
529.18237	1.2
545.15674	0.6
573.16595	2.8
605.19318	100.0
606.19745	11.8
631.85638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.1
60.99305	11.3
61.98829	14.8
62.22648	1.7
71.01384	2.0
71.18079	1.9
71.64278	3.0
75.00874	2.7
82.43424	2.0
87.00893	3.8
88.00396	12.6
88.49178	2.1
88.98257	3.5
88.98808	67.1
89.02445	100.0
95.37345	1.9
103.00394	4.9
115.68915	1.8
119.16848	2.1
277.21701	12.0
303.78775	1.9
405.83792	2.2
457.77728	2.1
603.38794	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72678	0.3
51.03217	0.3
52.29325	0.3
57.80492	0.3
59.01386	8.4
60.12335	0.3
61.98835	100.0
63.53814	0.4
69.48244	0.3
69.98172	1.3
71.05074	0.3
83.05046	0.5
98.20561	0.5
105.15529	0.3
127.04067	0.8
129.05609	1.0
138.78427	0.3
151.07713	0.3
174.32774	0.4
189.62755	0.3
400.56262	0.3
437.32654	2.1
463.31122	0.7
523.33044	0.9
541.33679	2.8
605.28516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01363	1.6
60.18484	0.6
61.98824	2.7
65.03903	0.7
66.92542	0.6
70.38039	2.5
71.01381	2.7
74.98409	0.6
83.01371	0.9
85.02966	1.2
86.91260	0.7
87.00884	0.8
89.02457	0.8
91.18928	0.7
93.03459	44.0
94.03788	1.1
101.02449	1.0
109.02952	1.8
113.02450	1.0
125.02438	9.2
137.02446	100.0
138.02773	4.5
139.04022	1.3
153.02029	0.7
161.02397	0.9
161.04533	0.6
164.01164	0.7
165.01970	1.4
165.05484	0.7
167.03528	1.9
168.59431	0.7
179.03468	1.4
187.04163	0.7
207.78136	0.7
219.06604	1.0
224.29179	0.7
227.03522	0.8
299.07718	12.9
299.10971	0.9
299.14996	1.3
305.06650	7.5
306.07077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.245
Annotation	N-Demethyl-desepoxyansamitocin P-3
Peak:m/z	Relative Intensity
57.03426	1.2
59.01379	17.4
61.98832	26.7
66.64039	0.7
69.03462	1.4
70.18723	2.4
71.01388	11.2
72.99298	1.1
73.02943	4.0
75.00867	0.6
78.95904	1.4
80.19442	0.7
81.03472	1.2
83.01383	5.0
85.02949	3.9
87.00876	1.6
89.02448	6.9
93.03439	1.5
95.01371	1.6
96.96039	0.8
97.02959	3.3
99.00853	1.2
101.02448	8.5
103.03967	0.9
108.02170	1.7
109.02966	10.8
113.02444	3.7
119.03487	2.2
120.02135	0.8
121.02936	4.1
122.03747	6.4
123.04531	9.5
124.01667	2.1
125.02451	3.6
135.04520	2.1
136.01585	1.0
137.02438	18.7
138.03232	1.2
139.03972	2.8
145.02908	1.6
146.03754	1.5
149.02443	4.3
150.03192	1.4
151.04002	5.1
159.04521	3.4
161.02440	2.1
161.04681	1.6
161.06053	6.0
162.03166	0.8
163.04016	1.8
163.06175	4.5
163.07324	0.9
164.01140	4.2
165.01935	25.4
165.05630	1.3
173.06065	1.2
175.03986	0.9
175.07477	1.1
177.05548	1.4
179.03471	2.7
187.04076	3.6
188.04779	1.9
201.05531	2.9
202.06334	1.3
203.07127	8.7
205.05061	6.8
205.06960	1.3
226.06281	0.8
231.02960	1.2
233.08070	0.8
244.07286	1.9
245.07982	0.9
247.05948	1.7
259.13385	0.9
273.14838	1.1
285.04129	1.1
288.06311	2.7
289.06979	0.7
379.19135	1.7
397.21268	0.9
423.18091	9.3
424.18384	1.0
439.19727	2.0
441.19049	1.3
451.19778	6.7
475.29120	1.0
543.27777	6.2
559.17084	0.8
559.25519	5.5
598.10803	0.9
603.24445	100.0
604.24841	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.5
60.99309	18.9
61.00237	1.7
61.98826	7.0
62.02161	1.8
70.02549	5.3
70.02953	2.7
79.95719	2.0
80.14279	1.7
87.00895	3.3
88.00404	10.5
88.98814	100.0
89.02451	66.7
89.99149	1.7
152.99564	2.1
155.85457	1.6
171.10341	2.3
177.91704	1.6
454.95300	2.1
491.28543	2.2
603.18109	2.1
603.38226	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47694	1.2
59.01382	100.0
61.98833	62.5
70.17257	1.4
71.01387	3.1
71.62994	1.9
72.99323	1.5
75.00871	3.5
81.03485	1.3
86.59885	1.2
87.00912	1.4
88.98811	1.8
89.02420	1.6
91.66036	1.3
99.04497	1.9
115.97358	1.3
123.04484	1.9
128.09552	1.1
137.06064	1.9
171.10258	4.3
194.36443	1.3
211.13367	5.2
233.15581	3.3
279.12347	4.6
424.59705	1.2
598.75452	1.3
601.29736	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82884	0.9
52.83680	1.0
57.03437	4.1
59.01385	24.6
61.98522	1.3
61.98835	26.0
64.89409	0.8
69.03436	1.4
71.62256	1.1
80.64299	0.8
83.05032	1.4
88.98811	1.6
95.04979	1.4
95.48732	0.9
97.06599	12.4
100.70275	1.1
123.08177	8.6
125.09734	100.0
126.10028	3.2
140.59892	1.2
143.10689	1.9
169.08649	3.5
171.10150	1.5
187.09767	75.9
188.10052	2.3
227.98503	1.0
243.12326	2.5
261.13406	9.9
431.22949	20.9
432.22876	1.9
583.31805	1.2
601.32172	80.5
602.32281	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	601.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03440	1.5
58.00596	2.4
59.01380	52.8
60.08102	0.4
61.98827	4.8
69.03444	0.8
71.01383	50.0
71.63313	0.5
72.06548	0.4
72.99309	4.4
73.02961	3.2
73.97237	0.4
75.00871	0.9
78.95902	0.6
83.01393	5.3
83.01885	0.6
85.02950	8.3
87.00877	15.8
89.02446	53.3
90.02775	0.7
95.01385	3.0
97.02958	0.7
99.00887	1.5
101.02441	26.3
111.00918	0.6
113.02451	23.4
113.06075	0.4
114.02775	0.9
118.33929	0.4
119.03503	19.7
125.02428	1.6
125.09723	0.5
127.07656	0.5
129.01912	0.7
131.03510	3.1
141.01871	1.2
143.03510	7.7
149.04533	1.6
159.03081	0.6
161.04562	8.3
171.10239	1.3
179.05611	20.1
204.46167	0.6
223.19177	0.4
269.21317	0.8
273.22311	1.1
275.20206	0.7
277.21719	100.0
278.22043	7.7
287.22372	1.6
291.23322	5.9
301.21722	1.1
313.23834	0.7
319.22717	3.0
323.09821	13.5
331.24835	5.6
341.10876	43.2
342.11221	2.0
349.23718	0.6
601.32098	1.4
601.36902	0.5
601.46814	9.8
602.47095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10104	0.2
59.01376	0.3
61.98833	100.0
62.98545	0.2
63.99262	0.4
69.00927	0.2
69.53057	1.4
71.01393	0.4
75.39577	0.2
81.73251	0.2
98.20509	0.3
107.74331	0.2
109.02943	0.2
121.02976	0.3
130.10767	0.2
130.76360	0.2
151.04024	0.2
237.63702	0.2
289.07309	0.3
603.23010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.1
61.71945	0.8
61.98836	100.0
69.76494	1.7
69.76889	5.0
71.01385	4.5
72.99306	1.4
73.02941	1.4
85.02961	1.6
89.02443	3.7
101.02467	3.3
109.02944	1.0
113.02486	2.2
123.04539	1.3
125.02422	2.4
127.98967	0.9
129.76239	1.0
137.02527	1.1
153.09158	1.8
163.06160	1.4
181.04980	0.8
181.06541	1.0
261.98212	0.9
285.03949	2.0
375.27374	3.4
426.52808	1.0
439.17542	1.3
501.35291	0.9
504.26901	1.0
537.32806	37.6
538.32959	5.5
541.26636	1.3
600.23444	1.8
601.22778	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	601.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68885	0.8
59.01381	100.0
61.98832	1.8
62.41171	1.0
68.56989	0.9
69.97055	0.9
71.60395	0.8
72.99315	1.3
73.02950	1.0
85.05611	1.0
108.20837	0.9
114.98873	1.3
115.02507	6.3
117.00468	7.4
121.22426	1.0
132.98227	1.3
140.20169	1.0
141.00467	1.1
156.99960	1.1
157.03572	1.7
159.01501	71.7
159.26488	1.0
160.01663	4.2
170.97856	1.8
174.99269	16.2
176.98087	9.8
177.71286	1.0
196.36803	0.9
201.02554	27.1
202.02719	1.4
204.60385	0.9
217.00307	52.3
218.00568	1.7
227.45740	1.1
259.01596	3.1
259.29382	0.9
274.99387	4.1
301.02658	59.7
302.02826	7.7
317.00409	41.7
318.00580	3.1
328.30792	1.2
332.98419	1.6
343.03680	1.2
359.01544	20.2
360.01514	2.1
374.99777	1.5
459.01538	13.0
460.01443	2.3
473.84061	1.1
498.99573	1.1
541.00592	37.4
542.00824	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	601.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01384	11.1
61.98827	25.2
69.67711	8.6
71.01385	7.2
72.99276	1.3
73.02942	1.6
82.99657	1.3
83.01376	3.4
85.02956	2.3
85.87505	1.2
89.02435	4.1
93.03442	2.0
97.02945	2.6
101.02406	4.0
108.02198	1.8
109.02974	7.5
113.02416	1.7
119.04987	1.8
121.02971	8.1
122.03718	2.7
123.00865	4.5
123.04533	6.8
124.01656	2.5
125.02435	15.4
133.02960	3.3
135.04526	1.6
137.02428	10.1
139.04015	2.0
145.02928	3.8
146.03700	5.5
147.04552	10.6
149.02460	7.8
150.03253	3.3
151.03944	4.3
157.19685	1.2
159.04529	4.1
161.02443	17.9
161.06094	2.2
162.03172	2.6
163.00354	1.6
163.03996	5.6
164.01210	1.4
165.01950	12.7
171.04488	5.8
172.05217	2.6
173.02438	3.5
173.06000	2.7
174.03134	2.6
175.03998	13.1
177.01756	1.4
183.04486	1.8
185.06085	3.0
187.04097	7.3
188.04651	3.2
189.01816	1.8
189.05630	10.2
190.02736	1.6
191.03471	4.1
191.07089	2.6
197.06078	3.7
199.03967	2.6
200.04674	2.0
201.05637	3.1
203.03529	2.4
203.07101	1.7
204.12512	1.4
205.05042	6.0
209.04492	2.3
211.03961	1.9
212.04797	3.7
213.05528	4.0
215.03484	9.5
215.07225	2.9
217.05013	4.1
225.05562	5.2
227.03505	3.9
227.07143	4.1
229.01512	1.6
229.04973	5.6
230.02170	6.6
231.02882	4.0
241.05072	6.4
242.02115	3.3
243.02928	8.3
243.06535	2.9
244.03590	2.7
245.04501	4.1
245.08104	2.3
247.06082	6.9
253.05019	2.5
255.02997	4.0
256.03787	1.8
257.04477	2.8
259.06116	26.4
269.04492	4.4
270.05148	1.9
271.02441	6.4
271.05750	2.3
286.04950	1.9
287.05612	8.7
289.07153	6.1
297.03867	1.9
299.05545	2.3
315.05005	4.0
377.10309	7.4
394.06503	1.6
395.10764	1.4
403.07877	1.7
421.09207	15.5
422.09332	1.7
439.10681	41.9
440.11246	4.3
449.10806	7.0
477.10449	2.5
479.11658	1.6
601.15527	100.0
602.15790	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	600.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89522	0.4
59.01371	0.3
61.98830	100.0
71.01383	0.8
73.02955	0.5
85.02960	0.7
89.02442	0.5
93.03487	0.5
95.01417	0.4
101.02426	1.4
105.01937	1.5
108.02168	11.8
109.02966	5.2
113.02407	0.5
121.02975	0.8
125.02444	1.3
135.00870	0.5
137.02437	1.0
145.39185	0.3
149.02431	2.6
151.04021	0.6
152.01146	13.3
152.02362	0.7
153.01933	7.0
159.87172	0.3
163.04034	0.5
165.01930	0.9
166.02612	0.7
167.03522	2.8
195.02931	1.3
240.43260	0.4
315.07199	55.0
316.07513	3.0
329.08783	0.8
357.08200	4.7
387.09177	0.8
399.09171	0.5
417.10345	6.8
418.10760	0.7
447.11246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	7.0
59.01391	6.2
60.99302	0.5
61.98836	36.0
69.03046	0.4
69.03418	0.4
71.01389	5.1
71.63341	0.5
72.99316	1.5
73.02957	2.4
75.00884	0.6
80.91703	0.6
83.01415	1.2
85.02966	3.4
86.91621	0.4
87.00880	0.5
87.04536	0.6
88.98826	1.2
89.02472	1.3
95.01382	0.4
97.02940	0.4
99.00881	0.6
101.02448	4.5
103.04021	100.0
104.04355	1.6
113.02451	1.4
116.92851	0.8
119.03516	0.6
121.02975	0.6
125.02460	1.2
135.04565	0.5
137.02435	1.1
143.65305	0.4
149.02484	0.5
150.03282	0.5
161.04587	1.5
164.04869	0.4
165.01889	0.8
167.38170	0.4
175.00359	1.0
176.00716	0.8
179.03488	0.5
190.02728	2.2
191.03128	1.3
195.37219	0.4
205.05067	1.8
206.05435	0.9
207.05658	0.6
232.09789	0.8
239.05125	0.5
247.08319	0.6
307.17606	1.7
375.27557	5.2
376.27759	1.3
377.28372	1.1
451.21890	0.5
453.23459	3.8
454.23819	0.6
599.21338	0.7
599.29663	6.4
600.29187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2864
Annotation	Scutianine J
Peak:m/z	Relative Intensity
57.03455	1.7
59.01136	1.0
59.01381	12.6
61.98829	55.8
69.03444	2.9
69.83331	1.6
69.83626	4.7
71.01384	11.3
73.02941	1.9
75.00858	1.1
77.02839	0.9
81.03469	1.6
83.01385	8.0
83.05037	0.9
85.02943	4.2
87.04510	0.9
88.98781	2.0
89.02444	6.1
93.03433	3.6
94.75263	0.9
95.01365	2.1
95.05013	2.5
97.02946	11.0
99.00851	1.1
101.02435	6.7
107.05025	1.9
108.02165	2.1
109.02937	16.9
113.02439	4.5
119.03490	2.9
119.05015	0.9
121.02941	5.9
121.06512	1.1
122.03774	5.1
123.04524	19.3
124.01659	2.8
125.02433	5.4
125.09760	1.0
127.07658	1.2
132.48029	0.8
133.06590	1.2
135.04471	4.1
137.02443	20.1
138.03229	1.3
139.03990	5.9
141.09216	1.5
145.02924	1.9
146.03725	2.2
147.04530	1.2
149.02432	14.5
150.03204	1.7
151.04019	6.9
154.02719	1.1
159.04489	3.1
161.02431	7.7
161.04556	3.0
161.06065	7.6
161.09619	1.0
162.03172	3.4
163.00354	1.3
163.03981	4.5
164.01158	4.4
164.04747	2.6
165.01935	18.1
165.05537	3.3
171.10252	7.6
173.06068	0.9
175.03990	2.8
176.55664	0.8
177.05560	3.0
177.12872	1.1
179.03438	4.0
179.05676	2.2
179.07080	1.5
179.10771	1.0
179.16232	0.9
181.12256	1.9
187.03984	2.7
188.04727	1.6
188.99016	0.9
189.05432	1.5
190.02621	1.0
201.05557	1.7
201.60918	0.8
202.06277	1.7
203.07098	8.1
205.05064	11.3
209.11838	1.6
213.05495	0.9
215.06990	1.3
221.08147	4.4
229.05069	1.8
231.02934	2.5
245.08026	1.1
245.11670	2.1
247.06076	13.3
257.12067	1.4
285.11188	1.2
285.63916	0.9
289.07181	1.4
289.21893	1.3
325.72812	1.0
331.22614	1.1
333.20404	1.2
349.16568	1.2
351.21738	2.4
379.18387	0.9
409.16388	4.0
444.06760	1.0
447.23859	6.8
457.21985	1.9
501.21024	5.1
537.28534	2.6
555.29688	5.6
563.26031	3.5
581.27502	25.5
582.27625	3.0
599.28528	100.0
599.37115	9.0
600.28979	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	599.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44381	0.9
59.01379	10.6
61.98832	54.2
62.16300	1.0
67.76387	1.0
71.01376	5.7
71.64388	1.6
73.02940	2.0
75.00933	1.1
83.01403	2.0
85.02949	2.4
88.98801	2.1
89.02451	3.6
89.03308	1.2
93.03485	1.7
99.00864	1.4
101.02447	6.4
103.98249	1.1
109.02968	1.8
113.02451	3.3
116.92908	1.4
121.02981	4.5
125.02457	2.4
131.03459	1.3
135.04517	18.3
137.02469	2.6
139.03970	2.2
145.02946	1.3
149.02444	52.1
150.02928	1.4
151.00388	4.4
151.04019	1.1
152.01105	1.7
164.04799	100.0
165.01962	1.6
165.05289	3.8
166.02722	14.3
167.03465	2.5
171.10246	1.5
177.05547	1.4
178.02792	1.5
179.07132	76.9
180.07498	3.5
181.05058	23.7
183.13905	10.1
183.93854	1.1
189.05562	3.7
191.07085	1.7
192.08031	1.5
193.05107	1.5
207.06612	1.6
209.11760	2.2
231.13835	2.0
264.90302	1.3
356.12228	2.0
371.15039	2.7
374.13809	1.8
389.15991	23.1
390.16226	3.0
401.16214	6.2
419.17020	9.7
599.25092	1.7
599.34564	15.0
600.35864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42026	1.4
55.01877	1.1
57.03453	1.6
57.20454	1.1
59.01381	33.3
61.98828	16.0
64.11188	1.1
69.03413	1.1
69.60904	2.7
69.61330	6.1
71.01381	18.4
72.99319	2.0
73.02948	7.4
77.36377	1.1
83.01389	5.9
85.02959	8.1
87.00879	3.1
89.02448	5.9
95.01372	2.1
97.02933	1.8
99.00872	2.5
101.01785	1.2
101.02445	21.6
102.69891	1.3
109.02930	1.5
113.02440	10.7
119.03461	1.6
121.02954	12.2
122.03274	1.4
124.25211	1.2
125.02483	6.8
143.03459	2.3
153.01926	3.2
159.03020	1.4
161.02463	1.5
161.04570	10.3
209.04523	8.5
210.04915	1.7
251.11348	18.5
293.12497	1.8
317.12421	1.4
339.27533	1.2
395.15842	2.7
413.16586	17.6
434.30304	1.2
455.17661	100.0
456.18082	6.7
474.27267	1.3
539.20386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95156	3.6
58.00591	3.9
59.01378	67.5
61.98829	100.0
67.99357	3.7
71.01384	52.1
71.63342	6.3
72.93324	4.9
73.02927	4.3
75.00876	5.5
79.99020	4.3
80.34929	3.6
82.43095	4.2
85.02962	12.0
89.02448	46.5
95.01403	5.0
101.02437	30.6
108.02179	7.1
109.02951	5.6
113.02454	19.4
119.03503	22.8
120.99645	8.2
121.02956	20.4
123.00909	7.1
123.04534	7.6
124.01650	6.1
124.47819	3.3
125.02421	14.2
129.59833	4.0
131.03392	4.4
137.02505	5.7
145.02931	4.7
149.99489	4.0
150.03168	5.0
152.01164	8.0
153.01828	6.7
161.02408	5.2
161.04509	9.4
162.03220	26.9
166.06303	9.3
168.00601	11.7
175.67601	4.0
177.05539	30.1
179.05608	20.4
209.04575	10.9
437.17798	4.6
455.17630	14.7
460.18201	4.0
477.10342	5.8
491.73575	5.1
539.20831	5.8
599.10950	10.7
599.23175	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01379	5.8
61.98831	25.8
67.01894	1.4
71.01388	7.2
71.62349	1.0
71.62772	1.0
73.02959	2.0
75.98732	0.9
80.34631	1.0
80.36221	0.9
81.03446	1.1
83.01382	1.4
85.02962	2.9
87.00887	1.6
88.98805	1.3
89.02441	3.0
95.01379	0.9
96.14753	1.0
99.00887	1.7
101.02456	5.9
109.02966	1.8
111.00860	0.9
113.02489	2.4
116.92860	2.5
121.02957	1.6
122.06098	1.1
125.02496	2.0
136.01656	1.3
137.02448	18.3
148.01660	1.8
151.03992	2.5
163.04073	2.2
164.01193	1.6
164.04761	1.1
165.01930	100.0
166.02274	3.0
179.03503	15.1
179.07047	1.1
180.04288	57.9
181.04817	3.7
194.05843	3.4
195.02966	2.8
195.06627	74.8
196.07079	5.2
210.05312	11.3
211.09714	4.2
214.00511	1.0
225.07684	69.2
226.08022	2.8
373.15036	22.8
374.14536	1.4
375.14697	0.9
389.16214	3.1
551.21362	43.7
552.21698	5.7
578.02173	0.9
599.23810	5.6
627.62744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01383	5.3
61.98837	100.0
62.88928	0.7
64.75701	0.5
65.90878	0.8
69.55358	3.8
71.01386	3.4
72.99331	0.6
73.02974	1.1
85.02980	1.0
88.98804	1.0
89.02431	1.6
97.80909	0.6
101.02477	2.0
113.02464	1.4
123.04528	0.8
125.02441	1.3
137.02434	0.9
143.78706	0.7
151.03998	0.7
153.09247	0.8
155.50363	0.7
163.06151	0.8
165.02034	0.6
196.88686	0.6
205.05168	0.7
231.10374	0.7
257.13040	0.7
371.24554	1.4
373.26154	1.1
403.14215	0.7
535.31195	12.1
536.31976	1.3
562.29755	1.4
598.31561	0.9
599.27100	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	598.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17213	0.5
57.26842	0.5
59.01377	5.7
60.99323	1.0
61.98836	100.0
69.03466	0.5
71.01392	4.7
71.45484	0.9
72.99325	1.8
75.00907	1.0
77.83409	0.5
83.01408	0.8
85.02969	1.9
86.61568	0.5
87.00869	0.8
88.98824	7.4
89.02438	3.3
89.99158	0.8
95.01410	0.6
96.96022	0.8
98.20549	0.5
99.00893	1.0
101.02458	2.5
109.02958	0.6
113.02444	1.4
116.92912	0.6
123.04546	0.8
125.02470	1.4
137.02469	2.2
138.79102	0.5
149.02463	0.7
161.04614	0.9
163.04066	1.5
165.01938	8.2
165.05623	0.7
175.04019	0.5
177.85112	0.6
178.06395	1.8
179.03535	1.6
179.10652	0.6
180.04404	3.2
193.03625	1.0
195.06628	5.2
205.05200	0.6
208.06206	1.7
210.05437	0.6
211.07094	0.6
225.07677	3.4
342.09949	0.8
355.25027	0.9
357.12344	2.0
372.14539	11.2
373.14993	0.9
373.25928	1.3
453.19800	0.7
454.20428	1.0
463.03070	0.6
467.23935	0.5
535.31311	18.0
536.31793	2.4
550.20935	1.0
599.26794	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	598.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01378	0.6
61.98833	100.0
62.98573	0.2
69.41328	0.4
69.41748	0.9
69.70926	0.1
71.01397	0.6
73.44831	0.1
75.00902	0.3
83.81734	0.2
85.02982	0.2
98.19910	0.3
101.02467	0.3
109.02929	0.2
113.02499	0.3
114.15645	0.1
122.06071	0.2
123.04514	0.2
129.72896	0.2
137.02449	0.2
143.03471	0.2
166.05075	0.2
180.52432	0.2
269.41556	0.2
286.04352	0.2
287.04266	0.2
299.09378	0.2
300.02783	0.2
326.29214	0.2
537.28363	0.3
538.28424	1.2
558.38367	0.2
594.86761	0.2
598.17365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50033	0.1
57.03439	0.2
59.01376	0.4
60.25936	0.2
61.98833	100.0
69.61155	0.8
69.61562	0.3
71.01424	0.4
85.02950	0.3
89.02473	0.4
96.97005	0.3
98.02512	0.2
99.87007	0.1
101.02477	0.4
103.04005	0.9
104.04356	0.2
104.22302	0.2
104.82282	0.2
110.68831	0.2
121.02914	0.2
123.00910	0.5
123.04568	0.2
125.02481	0.3
137.02498	0.4
138.02019	0.2
138.03271	0.3
139.04053	0.3
151.00349	0.8
151.04079	0.2
161.02365	0.2
163.03969	0.2
164.04776	0.2
166.02724	1.8
181.05061	2.7
182.05447	0.2
226.29982	0.2
230.72557	0.2
248.09239	0.2
297.04166	0.3
312.06390	0.2
317.10196	0.2
327.08890	0.6
342.11194	0.8
357.13416	1.0
357.26465	0.2
375.27682	0.3
376.28015	0.3
386.16269	0.6
387.14694	0.6
402.25504	0.2
402.80194	0.2
550.17145	0.3
565.20007	0.5
580.21912	1.8
599.23535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97063	0.2
57.03417	0.2
59.01382	1.1
61.98835	100.0
62.98537	0.2
65.52624	0.1
69.80383	0.9
71.01386	1.5
73.02953	0.5
83.01421	0.2
83.58334	0.2
85.02959	0.5
88.98816	0.2
89.02457	0.6
99.00914	0.3
101.02458	1.1
110.84928	0.2
113.02486	0.6
133.09306	0.2
133.10280	0.2
135.11832	0.6
138.95181	0.2
145.02985	0.2
155.42584	0.2
159.03195	0.2
161.04584	0.4
161.09773	0.7
164.04782	0.2
179.10788	3.6
179.12357	0.2
180.11194	0.7
218.86070	0.2
243.02209	0.5
244.02513	0.2
261.14102	0.2
374.36096	0.2
391.23489	0.6
392.23981	0.3
597.33069	1.6
598.33575	1.5
599.34540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01385	3.1
61.98837	100.0
65.24005	0.5
65.69967	0.5
70.80661	1.4
70.81010	0.7
71.01395	2.2
73.02957	1.1
85.02969	1.1
88.98820	1.0
89.02476	1.1
96.50371	0.6
96.96056	0.6
101.02467	0.7
101.92686	0.6
104.32300	0.6
109.02964	0.6
113.02432	0.7
119.04983	0.5
135.08218	0.8
137.02501	1.0
145.02979	0.7
149.06027	0.6
179.10822	1.5
180.11064	0.5
181.12302	0.9
205.04922	0.6
245.11966	3.0
597.32831	1.3
598.33765	1.3
599.10211	0.6
599.25684	1.0
599.34375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56988	1.2
56.64722	1.2
57.03454	6.2
59.01390	8.3
59.82254	1.1
61.98837	51.9
70.22401	1.2
71.01411	9.5
71.01738	1.9
71.63445	1.9
72.44466	1.1
73.02956	4.2
77.30492	1.1
83.01403	2.2
85.02946	6.1
87.04512	3.0
89.02442	4.0
93.03458	2.5
101.02460	12.9
109.02956	2.0
113.02455	3.7
119.01382	2.8
121.02979	1.9
123.08146	2.5
125.02478	3.6
131.03543	2.8
137.02414	1.4
147.00882	4.0
149.02457	8.0
151.00301	1.4
153.05621	4.6
153.09169	1.7
157.12386	1.3
161.04584	3.7
163.03954	2.8
164.04828	6.4
165.01933	1.5
167.03529	1.4
169.12309	2.1
175.00371	19.1
179.07170	1.6
185.11879	2.2
190.02731	43.3
191.03168	4.4
205.05072	45.5
205.07027	2.5
206.05437	2.3
208.03787	1.7
209.78760	1.3
223.06113	8.4
242.66199	1.4
320.29929	1.4
329.23413	3.4
357.26468	25.6
358.19205	1.6
358.26910	3.7
365.10846	1.3
373.25974	4.2
374.26221	1.8
375.27524	100.0
376.27838	8.1
389.29257	12.5
417.28586	16.7
537.28662	1.8
574.84503	1.5
597.29236	82.6
598.29517	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	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
58.76918	0.4
59.01382	2.1
61.98833	44.0
68.45379	0.4
69.47731	0.9
69.48136	2.1
71.01379	1.4
72.99281	0.7
73.02941	0.5
73.57335	0.4
75.00879	2.8
81.03463	12.3
83.05027	38.6
84.05344	0.9
88.98795	0.7
89.02435	0.5
93.03398	0.8
98.69441	0.4
99.00856	0.5
100.07690	5.1
101.02428	1.1
104.75170	0.4
108.02202	0.6
109.02926	1.2
111.00845	0.5
113.02417	0.5
121.02901	1.3
123.04519	1.3
124.01669	1.2
125.02462	3.3
126.05582	0.9
127.04057	0.5
135.04585	0.5
137.02426	2.1
149.02435	0.7
149.99551	0.6
150.03244	0.6
151.03979	1.8
152.01105	0.7
161.02402	0.4
161.06003	0.5
164.01128	0.5
165.01939	3.1
165.05528	0.8
168.00645	1.1
175.03862	0.8
179.03535	2.4
180.04242	0.7
194.05890	0.5
199.18164	6.9
224.17487	0.5
225.16068	8.8
226.16563	0.6
243.17114	19.0
244.17493	1.1
265.33774	0.4
269.15128	1.0
285.04016	0.8
289.07214	1.6
309.21890	0.8
353.20834	6.4
354.20956	0.6
397.16940	0.4
435.16800	0.8
451.32727	2.1
469.33939	13.2
470.34180	1.2
551.18829	0.4
553.39490	0.5
579.37561	3.0
580.38239	0.5
582.21069	1.0
597.22943	6.7
597.38690	100.0
598.23035	1.4
598.38989	15.7
598.48730	0.8
599.51263	0.5
606.01373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
57.03436	2.2
59.01381	41.8
61.98829	21.1
69.30022	12.8
71.01389	26.2
73.02956	9.0
73.12608	1.3
83.01376	3.3
85.02943	11.5
87.00842	1.5
89.02448	5.9
95.01418	1.6
98.20711	1.8
99.00880	3.2
101.02448	18.2
109.02879	1.9
110.60384	1.5
111.00891	2.6
111.79845	1.3
113.02441	8.4
116.92888	1.5
119.03476	2.2
121.02965	1.9
125.02457	4.2
126.83566	1.3
137.02356	1.7
149.77197	1.4
151.03937	1.6
159.03059	2.5
161.04536	4.6
164.75754	1.4
171.63547	1.4
179.05652	1.3
180.50279	1.6
190.27243	1.5
209.04555	2.3
219.37331	1.3
223.06073	2.1
375.23840	4.0
486.45105	1.7
510.69800	1.5
537.29132	100.0
538.29388	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	597.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
61.98838	15.8
66.75850	0.4
70.06266	1.1
70.06656	0.9
71.01389	1.4
83.01463	0.5
89.02458	1.2
89.28068	0.5
93.03473	0.4
98.20586	0.6
101.02496	0.6
107.05050	0.8
109.02964	1.2
121.02956	4.9
123.00923	0.7
123.04523	0.9
124.01640	0.8
135.04536	18.6
137.02443	2.2
139.04022	1.2
149.02449	47.5
150.02708	2.3
151.00381	5.0
152.01128	0.5
163.04089	0.5
164.04805	100.0
165.01971	1.0
165.05139	3.7
166.02730	12.3
167.03407	1.4
174.23955	0.5
175.03976	1.0
177.01889	0.6
177.05630	0.7
179.07146	78.7
180.07491	2.6
181.05070	16.4
187.04018	0.9
191.03465	0.6
205.05023	1.7
205.08710	0.6
206.05872	0.8
220.07378	0.6
221.08165	1.2
235.09894	0.5
298.82803	0.4
339.08740	0.5
352.74924	0.5
359.11221	0.7
372.12112	0.6
387.10660	2.0
387.14786	10.1
388.14810	0.9
399.14594	1.2
402.13144	1.8
403.13913	0.8
417.15591	15.0
418.15732	1.6
435.18011	2.2
547.96228	0.5
567.22870	0.9
597.23419	3.5
597.32477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.7
59.01386	5.5
61.98837	39.2
63.97390	0.6
70.33846	1.3
70.34202	1.6
71.01387	6.9
72.99313	1.4
73.02956	2.0
75.00867	1.1
83.01400	2.2
85.02951	3.0
86.18540	0.6
87.00895	1.0
88.98820	1.5
89.02432	1.0
91.01899	1.7
93.03443	0.9
95.01393	0.9
97.02949	0.7
99.00859	1.3
101.01881	0.7
101.02449	4.3
109.02951	0.9
111.55547	0.8
111.56420	0.7
113.02470	2.0
114.12772	0.7
116.92899	0.7
119.01372	4.6
119.04860	0.6
121.02975	3.5
125.02428	1.0
134.03763	1.7
135.04523	2.1
137.02473	1.7
147.00897	4.8
149.02458	12.3
150.03116	0.8
151.04077	0.9
152.01140	1.9
161.02467	1.1
162.03300	1.0
163.04013	3.0
164.04805	12.5
165.01964	2.2
166.06514	0.9
169.05133	0.6
175.00392	30.3
175.64297	0.6
176.00742	1.4
177.05493	0.8
179.03526	0.8
179.07159	2.7
190.02740	79.8
191.03107	3.9
193.38171	0.6
205.05067	78.6
206.05397	3.6
207.06677	0.9
208.03714	1.1
209.04497	2.2
223.06137	20.6
229.18098	0.8
233.31898	0.7
404.21555	0.8
550.78735	0.8
567.23969	0.9
582.27313	1.0
597.29254	100.0
598.29639	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	597.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.4
59.01382	6.4
59.10364	0.6
61.98832	21.3
65.00323	0.8
69.77006	4.1
71.01387	6.3
72.99300	1.4
73.02943	2.7
75.00876	0.9
83.01377	1.3
85.02956	2.4
87.04534	1.2
88.68138	0.8
88.98811	1.3
89.02464	1.6
91.01922	1.1
93.03445	0.9
99.99467	0.8
101.02441	6.0
108.67941	0.7
113.02435	2.2
117.06663	0.8
119.01357	4.7
121.02979	2.8
123.08219	0.6
125.02430	1.0
131.03494	0.9
134.03757	1.1
135.04503	1.5
139.00462	0.7
147.00871	6.0
149.02455	7.4
150.03040	1.0
152.01167	1.3
153.05576	1.3
158.11755	0.8
161.02486	1.0
161.04543	1.3
163.03996	2.5
164.04811	10.0
165.01984	1.3
169.12332	1.5
175.00372	23.1
179.07147	0.9
190.02727	62.7
191.03165	4.5
205.05055	60.7
206.05341	3.6
208.03824	1.0
209.04535	1.9
217.14250	0.7
223.06120	10.5
272.55197	0.8
343.67374	0.7
357.26505	11.8
358.26770	1.2
373.26007	1.6
375.27499	41.9
376.27911	2.2
389.29062	4.2
417.28638	6.8
442.36154	0.8
567.24457	1.7
582.26642	1.1
597.29163	100.0
598.29425	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	597.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
61.98838	15.8
66.75850	0.4
70.06266	1.1
70.06656	0.9
71.01389	1.4
83.01463	0.5
89.02458	1.2
89.28068	0.5
93.03473	0.4
98.20586	0.6
101.02496	0.6
107.05050	0.8
109.02964	1.2
121.02956	4.9
123.00923	0.7
123.04523	0.9
124.01640	0.8
135.04536	18.6
137.02443	2.2
139.04022	1.2
149.02449	47.5
150.02708	2.3
151.00381	5.0
152.01128	0.5
163.04089	0.5
164.04805	100.0
165.01971	1.0
165.05139	3.7
166.02730	12.3
167.03407	1.4
174.23955	0.5
175.03976	1.0
177.01889	0.6
177.05630	0.7
179.07146	78.7
180.07491	2.6
181.05070	16.4
187.04018	0.9
191.03465	0.6
205.05023	1.7
205.08710	0.6
206.05872	0.8
220.07378	0.6
221.08165	1.2
235.09894	0.5
298.82803	0.4
339.08740	0.5
352.74924	0.5
359.11221	0.7
372.12112	0.6
387.10660	2.0
387.14786	10.1
388.14810	0.9
399.14594	1.2
402.13144	1.8
403.13913	0.8
417.15591	15.0
418.15732	1.6
435.18011	2.2
547.96228	0.5
567.22870	0.9
597.23419	3.5
597.32477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38676	0.7
57.03440	1.2
59.01385	4.0
61.98834	14.2
69.03468	1.5
69.93287	3.7
71.01382	2.6
72.40377	0.7
73.02947	1.1
75.00875	1.3
81.00481	0.7
81.03461	10.9
83.01399	3.2
85.02954	2.2
89.02440	1.8
93.03457	4.9
95.01397	1.7
95.05032	9.6
97.02975	3.5
98.19897	1.5
99.04545	5.8
101.02454	1.5
107.05000	1.0
108.02170	0.7
109.02967	1.6
111.00916	0.8
111.04557	1.0
113.02443	1.1
119.05035	6.4
121.02962	5.8
123.00879	0.8
123.03708	1.3
123.04525	14.5
124.04863	0.7
125.02451	28.1
126.02789	1.2
135.04526	2.5
137.02449	5.6
137.06102	10.6
138.03218	1.1
139.03975	3.8
141.05566	1.3
146.44646	0.8
147.04507	2.0
149.02475	2.3
149.06111	0.9
150.75020	0.8
151.04001	2.2
155.03465	1.6
159.04570	1.2
161.04564	1.0
163.04037	1.9
165.01897	2.0
165.05582	6.6
166.02702	2.6
167.03503	61.1
168.03802	1.4
175.04044	0.9
177.02052	0.8
177.05598	1.4
179.03503	9.8
181.05014	3.5
189.05576	2.8
191.03465	3.4
193.05098	1.7
197.04568	8.3
199.09766	0.8
203.03426	0.8
205.05203	1.2
209.04550	24.1
210.04800	1.2
221.04480	4.0
233.04698	1.5
239.05647	3.3
245.08095	0.8
251.05380	0.9
273.07681	10.5
273.28088	0.7
274.08075	1.0
285.07660	4.0
287.09082	0.9
289.07098	1.3
291.96033	1.0
315.08752	100.0
316.08984	7.2
327.08728	3.0
339.08771	2.6
345.09763	29.0
346.10236	1.5
351.63950	0.8
357.09619	2.4
369.09796	1.3
387.10489	1.0
387.14764	1.3
399.10825	0.9
435.12653	1.1
477.14035	68.2
478.14426	7.7
507.15109	27.2
508.15332	2.7
519.15167	2.5
537.25714	1.6
549.17950	0.9
579.17352	3.6
580.17480	1.1
597.18018	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	597.234
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
59.01379	14.4
61.98832	100.0
69.38438	1.9
69.38744	18.4
71.01390	3.7
73.02935	2.7
83.01395	2.2
88.98805	2.0
89.02486	2.8
101.02451	2.3
121.02972	4.2
123.00858	1.9
124.01670	2.5
125.02444	3.3
135.04547	13.7
137.02428	4.8
139.00375	4.1
149.02437	37.4
149.06029	2.0
151.04057	2.1
153.01904	4.5
161.06056	2.8
164.04790	85.4
165.05426	4.6
166.02692	6.1
168.04294	2.5
177.01897	5.5
177.05618	2.1
178.02724	4.0
179.07144	40.2
181.05052	15.7
182.00700	2.1
184.09990	2.1
190.02748	3.6
192.04247	5.6
193.05051	4.1
204.04353	3.1
205.05028	10.6
207.06647	5.3
219.06577	4.2
220.07414	4.4
232.07428	3.0
235.09727	17.2
371.11392	2.1
372.11810	3.3
387.10635	2.9
387.14963	3.7
400.11053	2.4
402.13110	3.8
415.14130	5.3
417.15564	27.3
418.16064	3.1
455.21533	2.1
590.32001	2.7
597.23450	70.6
597.32330	4.9
598.23645	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06973	0.9
52.93915	1.0
57.03431	1.3
59.01372	3.4
61.98820	3.2
69.03432	1.2
71.01387	5.7
71.61617	1.6
72.99293	2.4
73.02934	3.7
81.03442	1.8
83.01389	4.0
85.02944	3.8
87.00874	35.5
93.03442	3.6
95.04967	1.2
97.02953	2.0
99.00892	5.8
99.04482	1.3
100.01662	3.5
101.02427	4.8
109.02934	3.4
110.00075	1.7
111.00883	39.8
112.98804	1.9
115.00351	1.2
121.02964	4.1
122.03745	12.7
123.00880	1.7
123.04521	2.5
124.01725	1.1
125.02429	3.5
128.60602	1.1
130.02652	1.2
131.03481	3.0
133.02953	1.8
136.01572	1.2
137.02402	3.6
138.03200	2.3
142.99771	1.4
147.03067	2.2
149.02438	28.1
150.03227	90.3
151.00317	2.8
151.04004	10.1
151.32970	1.1
153.01927	1.1
153.05574	1.7
161.02420	4.8
163.03986	2.5
164.04785	15.2
165.05569	97.7
166.02733	3.4
166.05914	3.6
173.00978	1.9
174.01685	1.7
175.03967	1.8
176.04781	3.0
177.01932	2.6
177.05511	1.4
178.06383	1.7
179.03497	7.1
179.07127	11.3
180.04333	7.3
181.05037	7.8
189.05550	1.3
190.02658	1.6
191.01924	2.5
191.03519	2.3
191.07185	2.2
192.04178	1.1
193.05240	1.2
193.08679	2.7
194.05820	7.0
195.06625	33.2
205.05051	2.8
206.05800	1.3
209.08139	8.7
219.02983	2.4
219.06633	2.0
231.03006	1.4
233.04474	1.6
234.05363	3.5
246.05138	1.2
247.06203	2.4
249.04117	4.6
249.07625	5.7
250.04767	2.4
262.04852	1.3
263.05652	2.3
264.06311	14.7
265.07169	8.7
266.07831	1.3
276.06161	1.2
277.07053	1.7
279.08673	3.8
291.08673	3.1
321.09738	1.2
327.13464	3.7
337.09241	10.2
357.13431	3.1
369.13226	1.3
385.12759	1.8
387.14450	2.1
397.12891	1.9
413.12332	6.8
417.15192	1.6
434.82834	1.2
440.56619	1.3
461.14529	66.3
462.14917	6.9
473.14508	1.8
487.16064	3.3
505.16901	3.6
517.16949	1.5
521.16626	4.4
531.14325	1.2
533.17023	1.3
579.17371	9.8
597.18268	100.0
598.18628	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	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29683	1.7
57.03445	2.8
58.65139	1.7
59.01387	9.9
61.98831	34.9
71.01389	16.3
71.63940	2.2
73.02951	6.9
75.00880	2.4
80.61458	1.7
81.03444	2.6
83.01388	4.3
85.02954	7.0
87.00878	29.4
89.02457	5.2
93.03455	5.6
99.00883	5.2
100.01657	4.6
101.02455	6.9
107.05063	1.7
108.02198	6.6
109.02951	4.5
111.00867	15.4
112.98832	4.1
113.02463	3.8
113.34472	2.0
116.92848	3.8
121.02980	4.6
122.03757	10.4
123.00895	6.9
123.04581	2.4
124.01628	2.4
125.02468	10.2
131.03514	2.8
133.02922	2.6
135.04500	2.2
137.02475	6.0
142.99887	2.8
149.02444	27.3
149.04512	2.2
150.03232	85.1
151.00471	2.6
151.04021	11.0
152.01147	5.0
153.01898	3.1
153.05547	2.4
158.78235	1.7
161.02466	6.2
163.03987	5.3
164.04846	11.3
165.01880	3.4
165.05563	100.0
166.02728	5.9
167.03508	4.2
173.00983	9.1
174.01784	3.5
175.04030	3.5
176.04813	3.9
178.06331	2.2
179.03505	5.4
179.07132	7.2
180.04276	8.4
181.05013	9.2
190.02711	2.8
191.03552	7.9
191.07184	3.5
193.05147	2.3
193.08702	3.9
194.05846	6.9
195.06631	45.8
196.07109	2.6
205.05104	4.5
206.05861	3.1
209.08234	7.2
221.08224	8.3
234.05441	2.1
247.02451	4.9
247.06119	2.4
249.04050	2.8
249.07982	3.2
261.04047	3.9
262.04843	9.0
263.05481	2.5
264.06418	8.1
265.07172	4.5
276.06396	3.2
277.07129	13.1
294.53409	1.9
315.08728	3.4
337.09241	35.5
338.09418	3.0
369.13510	7.3
413.12497	5.6
414.12592	2.0
435.09250	4.4
461.14575	30.1
462.15106	3.4
477.13937	2.6
491.15695	2.8
521.16876	3.4
533.16937	10.1
537.25763	7.3
558.62512	2.1
579.17432	20.2
580.17761	2.8
597.18372	93.2
598.18408	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	596.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20306	0.3
59.01378	2.0
61.71573	0.3
61.98834	100.0
69.49132	1.7
69.49547	0.6
71.01383	1.3
72.99319	0.3
73.02958	0.7
75.00899	0.5
81.03500	0.3
83.01392	0.4
83.05061	0.4
85.02960	0.6
88.98835	0.3
89.02454	1.0
95.07549	0.2
101.02442	1.7
102.02772	0.3
102.24041	0.3
104.05092	0.3
110.04375	0.2
113.02473	0.9
119.03500	0.5
123.00869	0.3
123.04547	0.5
125.02464	0.9
137.02499	0.9
138.03276	0.3
149.02454	0.4
151.03999	0.5
161.04527	0.5
165.01971	0.7
179.03452	0.4
210.04115	0.6
217.44916	0.2
390.22162	0.4
435.20386	0.9
469.21402	0.3
536.27911	1.7
596.20728	0.6
596.30389	0.7
597.24054	2.8
597.38745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01381	8.1
61.98832	100.0
65.00320	1.1
69.46186	9.5
71.01381	4.3
73.02952	1.2
74.36852	1.0
75.00874	1.3
83.01398	1.5
84.39919	1.3
85.02964	2.1
88.98824	2.1
89.02463	2.1
93.03470	1.9
96.96064	1.0
98.19936	2.8
101.02463	2.6
109.02998	1.2
111.37006	1.0
113.02438	2.3
119.03453	1.8
119.05026	1.6
120.05370	1.1
121.02957	14.0
122.03285	3.2
124.47310	1.0
125.02483	2.4
132.93529	1.2
137.02370	2.6
145.02914	2.1
146.16597	1.1
163.00461	1.3
179.10759	1.9
183.72389	1.1
186.53275	1.1
187.04056	1.5
190.02699	2.0
191.03197	2.4
205.05084	2.2
206.05501	1.6
213.05495	1.3
227.03577	6.4
227.07014	1.3
228.03848	5.0
229.05080	2.7
230.05388	3.2
255.02913	13.0
256.03326	12.4
257.04382	1.6
283.02527	1.8
284.03207	12.6
285.03931	43.0
286.04388	28.7
287.04404	1.8
353.23526	2.2
371.24319	2.8
473.11130	3.1
474.11279	11.5
533.29663	29.5
534.30182	3.4
578.13855	17.1
579.13971	3.3
596.15649	1.8
596.26855	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	595.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14525	1.2
57.03434	3.9
57.48913	1.1
59.01387	21.9
61.98837	99.6
70.28590	2.1
70.28940	3.5
71.01390	19.2
71.94304	1.2
72.99307	5.0
73.02935	7.2
75.00876	8.1
83.01378	4.0
85.02947	4.6
87.00883	4.0
88.98820	4.7
89.02439	6.9
95.01378	1.2
99.00864	1.7
101.02451	18.3
111.08135	1.2
113.02471	6.5
119.03500	2.7
123.04559	1.2
125.02445	4.0
125.09729	2.7
127.11336	1.4
131.03513	1.4
137.02444	1.8
137.09737	1.6
139.11243	1.4
143.03514	2.3
147.00833	1.8
149.02406	2.9
151.04030	1.9
155.10768	4.2
161.04536	3.1
164.04872	1.7
164.43735	1.1
171.10295	3.2
175.00352	2.9
179.05614	1.6
185.11812	2.1
190.02760	11.3
193.04996	1.5
199.13432	1.8
201.14925	2.0
205.05093	10.6
217.14404	1.3
223.06233	2.8
229.14427	5.2
243.75186	1.1
285.20642	2.2
337.23874	4.8
351.66833	1.2
355.24927	20.5
356.25284	2.0
373.25970	100.0
374.26352	8.6
387.27728	5.8
389.21591	6.2
397.18564	7.2
401.13608	1.3
415.27039	10.1
451.17868	2.0
535.27448	16.3
536.27972	3.2
595.27698	20.3
596.27252	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	595.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19193	0.7
57.03434	1.6
59.01377	14.4
59.75369	0.7
59.95427	0.7
60.99302	1.0
61.98831	100.0
63.99257	0.7
69.43882	6.1
71.01380	9.4
72.99312	2.0
73.02953	5.2
75.00874	3.0
81.35722	0.9
83.01388	1.5
83.05016	1.4
84.31879	0.8
85.02953	3.7
87.00896	1.0
87.04510	1.2
88.98814	6.4
89.02428	5.4
96.96004	2.2
98.02480	0.7
99.00892	1.0
99.04498	0.9
101.02436	10.0
101.41029	0.8
109.02965	1.3
111.00877	0.8
112.98583	1.1
113.02453	4.3
115.06290	0.7
119.03464	1.1
121.10236	0.9
123.04533	1.6
123.08198	0.8
124.07700	1.4
124.61658	0.8
125.02440	3.1
125.06133	0.9
125.09724	1.2
131.03517	1.4
135.04491	1.1
137.02473	1.9
137.09801	1.2
146.03720	1.0
148.04024	4.2
149.02477	1.1
150.05556	1.2
151.03996	1.1
153.01886	0.7
155.10770	1.2
160.03983	1.2
161.04773	6.0
161.05966	1.2
162.05629	10.5
163.04057	0.8
163.06079	1.4
169.12334	1.5
171.10164	1.0
175.00366	1.4
176.07173	4.4
179.10803	1.2
181.12337	1.0
185.11848	2.7
189.04308	1.5
190.02681	2.9
190.05061	1.5
204.06708	1.7
205.04996	2.2
212.08423	1.4
215.12865	3.1
229.14432	2.3
231.11284	1.2
255.11395	2.3
273.12430	0.9
289.07275	2.1
325.23917	1.1
337.23785	0.8
343.24841	1.4
355.24911	16.2
371.24405	3.2
373.25912	51.4
374.26093	4.8
387.27515	2.8
389.21689	2.6
405.09778	1.2
415.27100	5.3
453.18884	3.4
497.17804	7.5
498.18414	1.1
535.27319	6.9
595.24524	19.6
595.33154	1.5
596.25409	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52789	0.7
55.01872	2.7
57.03436	2.9
59.01094	1.1
59.01384	19.2
61.98830	71.6
71.01384	30.1
71.62626	1.0
72.99299	1.3
73.02950	10.9
75.00880	1.3
83.01385	6.3
83.05022	1.3
85.02950	13.8
87.00881	2.0
87.04562	0.7
88.98814	1.4
89.02451	7.8
89.28162	0.7
95.01366	2.8
97.02942	1.7
97.06595	1.1
99.00890	3.6
101.02444	21.0
105.66948	0.7
113.02459	11.4
119.03487	1.7
119.04967	0.7
119.46195	0.7
123.08168	1.9
125.02441	2.3
131.03505	1.4
133.10222	2.5
135.11804	26.0
137.02429	1.1
143.03481	1.3
146.07460	0.8
149.04518	1.6
151.00317	0.7
155.10789	1.4
159.02991	3.0
159.08130	1.2
161.04561	17.9
161.09717	9.1
168.00659	0.8
176.01184	0.7
179.10770	100.0
180.11107	3.3
183.86595	0.7
190.02713	0.8
205.05069	1.0
205.08687	1.0
227.16492	2.6
241.02477	6.7
273.02829	0.8
285.03973	1.0
373.26776	0.8
389.21786	21.5
390.22220	1.8
535.17242	0.8
535.31805	1.2
551.32153	5.1
555.84509	0.8
595.15143	1.5
595.31311	38.7
596.31653	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	595.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03444	2.8
58.00586	3.2
59.01093	3.2
59.01382	54.1
61.98835	31.9
65.39151	2.2
69.03457	3.5
69.45561	12.0
69.45975	3.6
71.01386	45.1
72.99295	5.0
73.02956	22.0
73.88547	1.8
83.01379	10.1
85.02957	18.2
87.00874	4.3
87.04523	2.7
87.27295	2.3
89.02430	16.8
97.02938	5.1
99.00883	5.0
101.02452	40.7
103.03996	17.1
108.12508	1.8
113.02451	13.3
116.92853	3.7
119.03487	7.9
121.96475	2.0
124.07618	1.9
125.02467	22.9
131.03551	2.3
132.32449	2.5
143.03506	5.7
145.05069	6.3
159.02887	2.9
161.04543	7.4
163.06140	26.9
165.12877	2.4
181.04857	2.7
205.07129	6.2
238.62437	2.7
247.08223	5.1
261.53696	2.1
286.03961	2.6
307.10355	22.4
353.38010	2.3
380.31223	2.1
389.21976	10.6
447.09378	2.8
535.27570	100.0
536.27789	7.3
558.88794	2.1
595.19891	8.4
595.82208	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	595.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.2
57.03444	2.7
59.01383	42.2
61.98835	75.4
69.03461	2.4
69.68686	6.1
69.69094	5.1
71.01387	48.2
72.99306	10.9
73.02950	21.0
75.00882	2.2
80.91687	2.9
83.01400	11.6
85.02957	22.9
87.00874	6.1
87.04523	1.8
88.98803	9.6
89.02453	17.9
97.02974	3.9
99.00885	5.0
99.04513	2.2
101.02454	40.7
103.03987	4.6
109.02972	2.4
110.71776	1.5
111.00912	1.6
113.02447	17.1
115.04065	2.4
119.03505	6.1
121.02974	2.5
123.04575	1.6
125.02444	8.3
131.03508	3.0
143.03508	4.1
145.05119	2.4
149.02446	4.0
151.00389	1.8
151.04037	4.1
159.02966	2.9
161.04578	11.6
163.06128	6.1
164.04800	4.0
166.02704	3.5
168.00706	1.9
175.00374	5.2
175.25764	1.6
179.05615	4.2
190.02751	15.4
197.15430	17.7
205.05049	13.9
206.05428	1.9
223.06148	6.5
227.16560	2.9
229.05219	2.5
229.07359	2.5
247.08398	2.4
250.50471	1.7
285.04062	10.4
286.04291	9.5
287.04617	7.9
307.10349	4.6
345.07108	1.8
367.12518	4.1
373.26071	7.0
373.47345	2.1
389.21768	24.4
475.21686	3.1
478.19589	2.0
493.22986	3.4
535.27692	100.0
536.27954	9.7
595.20313	15.6
596.20837	3.0
609.30438	2.0
622.46039	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01379	2.1
59.08107	0.8
61.98823	6.7
78.95903	73.2
79.74662	0.9
80.91683	22.4
92.33266	0.9
94.98066	1.3
96.96972	13.9
111.59907	0.8
150.98047	1.1
152.99586	100.0
171.00673	2.7
193.12418	1.1
223.00073	10.4
241.01183	25.0
243.33562	1.0
259.02161	1.8
277.21841	1.6
279.23279	64.4
280.23743	4.8
315.04868	15.9
333.05795	1.1
595.28839	98.1
596.29321	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	595.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34301	2.7
57.03432	5.7
58.00583	3.1
59.01382	100.0
61.98832	45.6
62.39386	3.0
69.28647	26.1
69.29049	5.6
71.01385	61.5
72.99308	8.8
73.02957	8.7
75.00893	4.0
75.32695	3.3
79.01911	3.1
83.01400	5.7
85.02941	9.6
87.00896	6.1
89.02440	56.8
93.03432	3.9
101.02443	39.1
101.59167	3.0
108.02189	3.4
109.02998	6.6
111.00871	5.7
113.02442	17.7
116.92841	6.6
119.03514	28.4
119.05024	3.4
121.02961	14.7
123.04556	5.5
125.02440	19.4
131.03491	9.3
137.02463	9.4
143.03459	5.3
149.02448	5.2
149.04552	3.7
151.00456	4.0
151.04114	4.9
161.02377	3.5
161.04552	8.7
165.01883	4.5
167.03540	8.1
175.04042	4.6
179.05615	12.7
191.54294	3.2
197.26965	3.3
209.04454	5.9
249.68411	3.5
268.31131	3.3
271.02454	8.8
300.02756	10.4
301.03528	10.2
310.04337	3.0
311.04568	4.6
313.07175	6.4
327.04840	4.3
328.05356	6.1
329.05585	6.3
361.16470	4.4
378.18472	3.3
430.08640	4.0
463.22330	4.7
475.11597	6.5
535.27576	98.3
536.27808	10.7
595.12842	15.3
595.25122	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	595.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41964	0.6
55.01868	0.5
55.89816	0.6
57.03466	0.6
59.01382	4.6
59.10823	0.5
61.31856	0.5
61.98831	26.5
69.82023	1.6
69.82416	1.3
71.01395	4.2
73.02944	1.4
75.00871	0.9
83.01382	1.0
85.02945	2.1
87.00894	1.1
88.98809	2.4
89.02458	1.7
91.01891	1.5
93.03460	1.5
95.01374	0.8
101.02437	2.7
113.02439	1.3
119.01404	4.1
120.73327	0.7
121.02977	3.3
125.02377	1.0
131.48357	0.6
134.03737	1.1
135.04514	2.2
137.02417	0.7
147.00871	5.5
147.04506	0.7
149.02435	12.7
149.82422	0.6
150.03177	0.9
151.03952	1.0
152.01151	1.0
153.09265	0.6
155.10777	1.5
161.04568	1.0
162.05626	0.8
163.04034	3.2
164.04797	10.1
165.01936	1.3
169.05144	0.7
175.00362	28.0
176.00856	1.7
179.07178	2.0
181.44220	0.7
189.01962	0.9
190.02713	68.2
191.03093	3.6
205.05043	70.2
206.05458	3.5
208.03767	1.0
208.15523	0.7
209.04495	2.0
223.06117	13.0
227.07047	0.7
227.16682	0.8
244.72209	0.6
251.05652	0.8
311.01413	0.6
373.25803	2.5
425.83014	0.7
535.27527	2.4
565.22729	1.2
580.25702	1.2
595.27570	100.0
596.27936	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	595.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.98830	5.9
67.69476	1.2
71.18241	2.4
73.02955	2.4
78.95945	2.3
81.79031	1.2
95.01686	1.5
99.92588	12.4
116.92868	100.0
117.01942	6.5
117.92891	3.1
124.84778	1.2
227.20708	1.3
277.47598	1.2
320.80423	1.4
337.63266	1.3
492.22888	1.4
594.42743	1.5
595.42084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
60.99310	14.8
61.98831	28.1
69.44289	6.0
71.01382	2.1
72.99319	1.3
73.02932	1.0
75.00848	0.7
87.00892	0.9
88.00385	1.1
88.98809	100.0
89.02448	8.3
101.02446	2.0
113.02450	1.6
115.61594	0.7
119.03474	0.7
125.02435	2.6
131.03477	0.6
136.47861	0.6
145.75743	0.8
149.99632	0.7
151.03918	0.9
161.04733	1.6
162.05650	3.7
168.00635	1.0
174.05640	0.7
175.00327	1.4
176.07135	1.8
190.02747	3.1
205.05054	2.2
228.77522	0.9
246.26881	0.8
252.72571	0.7
254.05385	0.7
364.26245	0.7
373.25873	3.3
535.27728	2.4
595.26282	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	595.2762
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
57.03439	0.6
59.01371	5.9
61.98829	17.7
65.00328	0.6
65.77834	0.4
67.48925	0.5
69.03401	0.5
69.39865	1.1
69.40269	4.0
71.01376	6.6
73.02946	1.9
73.37569	0.4
83.01382	1.1
85.02953	3.2
87.00881	0.9
88.98824	1.4
89.02436	1.6
91.01913	1.5
91.31616	0.5
93.03467	1.9
95.01408	0.6
98.20577	1.0
99.00920	0.7
101.02435	5.2
103.04015	0.5
109.02960	0.6
113.02444	2.5
116.92847	1.0
119.01382	3.5
119.03516	0.8
121.02978	3.4
123.04547	0.7
125.02463	1.4
134.03766	1.5
135.04546	1.9
137.02467	2.0
139.04089	0.6
147.00876	5.1
149.02440	10.5
150.03223	0.9
151.04036	1.2
152.01154	2.0
156.04622	0.5
159.03152	0.5
161.02457	0.6
161.04593	0.7
163.04007	2.4
164.04802	8.2
165.01926	0.9
165.05557	0.8
169.55246	0.5
175.00359	24.2
179.07205	1.4
190.02713	63.1
191.03175	3.4
193.01390	0.5
195.02802	0.6
205.05048	56.2
206.05342	3.1
207.06802	0.7
208.03821	0.6
209.04552	1.6
223.06090	9.3
223.08244	0.6
244.03624	0.5
251.05666	0.7
273.06595	0.5
336.43939	0.6
355.25034	1.1
373.25952	2.7
403.14026	2.2
404.14731	0.6
418.16220	1.1
433.18771	4.6
535.27472	2.6
536.28394	0.7
565.22882	1.5
580.25513	1.2
595.27673	100.0
596.27997	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	595.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
58.00601	2.8
59.01385	69.0
61.09986	1.1
61.98837	39.9
69.03444	3.0
71.01389	37.2
72.99310	3.6
73.02955	13.3
75.00876	1.3
76.56147	0.9
81.03453	3.3
83.01402	2.9
85.02958	13.7
87.00886	4.0
88.98839	1.8
89.02453	19.2
93.03464	96.6
94.03805	3.3
95.01386	3.1
97.02925	5.1
97.12557	1.0
101.02452	30.6
103.04025	22.4
103.18645	1.0
107.05035	6.3
108.02190	4.2
109.02948	1.1
113.02482	2.7
119.03514	11.5
121.02968	51.1
122.03370	1.0
125.02464	29.5
126.02783	1.4
127.03989	2.9
131.03499	1.1
136.01608	1.3
137.02457	90.1
138.02765	1.8
143.03508	4.0
145.05115	4.9
149.02477	2.6
151.00508	1.0
151.03996	4.7
161.04604	2.2
163.06128	21.8
164.06477	1.2
171.10326	1.5
175.00412	1.2
179.03461	4.5
179.10764	1.8
187.04153	1.2
190.02678	3.9
191.03197	1.2
194.51642	1.1
197.06081	15.3
199.07764	7.1
205.04994	3.8
205.06924	1.9
207.05598	1.3
223.06087	1.4
227.03459	4.5
227.07156	100.0
228.07466	7.0
229.05013	2.1
247.08266	8.3
255.03055	9.7
281.06705	5.5
283.02448	1.2
284.03183	8.3
285.04071	19.8
286.04434	1.3
307.10434	12.5
328.46530	1.2
375.27530	3.0
413.09552	1.6
427.12430	35.4
428.12656	2.8
565.13397	13.1
566.15167	1.1
577.13745	5.9
578.13977	1.3
595.26233	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	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
61.98520	1.1
61.98831	21.2
65.79114	0.5
69.03455	2.4
69.59600	3.8
71.01378	2.1
72.99300	1.2
73.02923	1.0
81.03452	0.7
83.01400	1.6
85.02956	1.1
86.48813	0.6
88.98852	0.6
89.02440	1.2
95.01404	1.6
97.02946	1.9
98.19893	1.3
99.92574	1.6
101.02460	2.3
107.01369	1.1
108.02170	1.8
108.36555	0.5
109.02952	2.0
111.96809	0.5
113.02423	1.3
116.92869	13.8
117.92897	0.9
121.02878	0.6
123.00895	6.0
123.04544	0.7
124.01671	16.5
125.02451	46.6
126.02797	0.9
126.67298	0.5
127.60185	0.5
136.01646	0.8
137.02443	3.8
146.28355	0.5
149.99586	25.7
150.07520	0.5
151.00414	2.6
151.03870	0.6
152.01074	0.9
153.01917	1.3
163.06169	0.8
165.01868	0.6
167.03439	1.7
168.00641	54.4
169.01430	5.9
171.11795	1.6
189.12823	0.8
313.05591	3.3
397.61194	0.7
416.69635	0.6
535.27710	2.2
536.29163	0.6
595.20325	100.0
596.20685	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	595.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77924	1.7
57.03447	3.7
59.01386	41.6
61.98833	100.0
63.42577	1.6
69.03474	2.4
69.52522	4.6
69.52928	7.8
71.01384	27.3
71.05030	2.1
73.02949	16.6
75.00886	3.6
82.66065	1.6
83.01401	5.6
85.02951	13.8
87.00883	3.2
89.02434	12.9
93.03492	3.0
93.44469	1.6
95.01385	2.9
97.02964	2.8
99.00904	5.6
101.02453	26.8
103.04018	7.6
109.02958	2.5
111.00925	3.7
113.02467	10.2
116.92870	3.6
117.21089	1.6
119.03543	5.2
123.00835	3.6
124.01654	2.4
125.02471	9.6
127.00406	1.9
128.72862	1.4
131.03513	4.2
135.78316	1.6
137.02454	13.9
139.00369	7.4
139.04039	5.0
143.03442	2.9
145.03011	2.3
145.04999	2.3
153.02029	3.4
161.04547	3.5
162.03183	2.9
163.04016	4.3
163.06154	14.2
165.12865	14.6
166.02589	2.2
167.03537	2.3
175.04091	2.6
177.05611	2.7
191.03307	2.0
203.03584	2.8
205.05367	1.9
205.07201	5.5
209.15508	4.3
218.05801	5.9
219.06398	2.0
307.10452	3.8
343.08417	3.2
357.09927	1.9
358.10571	13.9
373.12939	28.5
374.13498	2.3
389.21689	5.7
403.10367	6.6
418.12582	6.4
433.15033	98.1
434.15244	10.6
534.26501	2.3
535.27557	77.6
536.27844	7.0
595.21832	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	595.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99073	0.3
57.03464	0.3
59.01379	3.8
60.96819	0.3
61.98832	100.0
62.72559	0.3
71.01395	2.1
71.63112	0.4
73.02967	0.8
75.00867	0.4
81.03455	0.3
83.01362	0.3
85.02967	0.6
85.94820	0.3
87.00900	0.5
88.98828	0.6
89.02451	1.2
91.45010	0.3
93.03459	0.5
95.01393	0.3
96.96011	0.6
101.02460	1.1
102.18729	0.3
103.49824	0.3
109.02964	0.7
113.02473	0.8
119.03492	0.3
119.05081	0.3
119.48444	0.3
121.02903	0.4
123.00902	0.4
124.01679	0.4
125.02475	0.8
128.27310	0.3
135.04488	0.3
135.11816	0.7
137.02460	0.9
145.03009	0.3
147.04504	0.4
149.02504	0.5
150.03262	0.3
151.03891	0.4
152.04759	0.3
155.66776	0.3
161.04573	0.5
163.04004	0.4
168.00630	0.5
175.00464	0.3
179.03464	0.6
179.10780	3.5
190.02708	0.9
195.47397	0.3
205.05049	1.3
209.08150	0.3
227.03540	1.5
227.09192	0.5
229.05061	1.2
255.03020	1.4
257.04721	0.7
262.11670	0.3
271.09787	0.3
284.03247	2.4
285.04031	8.6
285.07016	0.6
286.04596	0.7
350.63354	0.3
371.13449	0.5
389.14392	0.4
413.08972	0.8
416.37326	0.3
535.31573	0.4
595.14288	2.1
595.23413	1.0
595.30750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.167
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
57.03453	1.3
59.01383	2.4
61.98830	4.0
65.20793	1.6
68.99825	1.5
69.52697	8.3
71.01383	3.9
74.09677	1.4
79.01881	1.7
81.03469	2.8
83.01390	4.2
89.02449	1.8
93.03461	7.8
97.02951	3.9
101.02464	3.1
105.09087	1.5
107.01398	8.2
107.05019	1.9
109.02962	2.2
111.00848	1.7
111.04522	2.9
113.02425	2.2
117.03466	1.6
119.05038	40.1
121.02963	4.6
123.00893	3.0
123.04558	3.8
125.02471	14.1
135.04529	4.7
137.02435	8.2
139.04033	7.9
143.05017	6.1
144.60536	1.4
145.02930	7.8
149.02426	4.9
150.03198	2.5
151.00337	3.7
151.03992	2.7
155.03508	1.5
158.03741	1.3
161.06097	3.7
163.00375	3.1
163.03975	3.4
164.01001	1.5
165.01909	7.7
165.05612	2.6
167.03517	11.9
175.04051	2.2
177.01920	5.6
177.05624	1.4
179.03519	4.9
183.08467	1.7
187.04051	7.3
189.01955	1.8
189.05655	1.4
191.03456	5.2
192.00615	2.0
193.01411	12.8
197.04518	5.1
197.06143	1.8
199.07690	3.1
205.01379	8.0
205.04968	2.1
207.02954	5.0
209.04564	6.3
219.02975	3.7
221.04457	2.2
223.02583	2.6
227.07170	2.2
235.02504	13.2
245.08295	1.7
247.02412	1.5
249.03984	2.4
261.03995	2.0
265.03513	6.2
271.06161	5.0
283.06125	2.5
285.07504	1.4
313.07117	14.6
314.07422	2.5
325.07303	7.5
343.08344	8.2
355.08231	94.7
356.08591	5.7
367.08167	6.1
385.09323	75.5
385.13171	1.5
386.09601	6.5
397.09332	6.2
415.10367	24.2
416.10342	2.2
427.10071	2.1
457.11255	11.2
475.05621	2.4
475.12488	47.3
476.12906	3.1
487.12589	6.9
505.13358	10.6
577.15601	5.9
595.16681	100.0
596.16754	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	594.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.8
58.02977	4.5
58.49709	0.9
59.01390	1.4
61.38380	0.9
61.98829	1.6
69.57006	7.5
74.02477	9.9
78.68318	0.9
81.03476	1.1
83.01386	2.9
86.02473	3.7
87.05662	1.8
96.63728	0.9
97.04069	1.8
99.05653	9.7
101.07256	1.4
102.05647	1.3
109.02927	1.7
111.00902	2.7
111.05672	1.0
117.46905	1.0
121.02955	2.0
122.03694	1.2
123.04530	2.7
123.05542	0.9
124.11375	1.1
125.02457	29.6
126.02772	1.5
128.03548	30.6
129.03830	1.4
135.05670	2.1
137.02452	6.6
139.04041	1.5
139.99333	1.6
141.00182	10.7
143.04634	43.9
145.06215	1.8
146.04613	2.7
149.02429	7.6
150.03172	1.2
151.03984	1.7
153.00183	3.3
153.06750	1.0
155.01768	2.2
159.04448	1.3
161.02460	7.5
164.01158	3.1
165.01964	4.5
166.09949	1.1
167.03435	1.7
167.04721	1.2
175.04001	1.6
177.01842	1.2
179.03333	2.3
179.04796	6.8
183.01234	10.0
185.05655	1.3
192.07877	1.2
200.04823	1.2
201.05611	2.9
203.03505	1.6
204.04221	1.1
210.08836	8.6
215.07014	1.1
217.05066	1.4
225.05484	1.5
235.04318	1.2
237.01990	1.1
242.92641	1.1
243.06543	2.2
254.07840	16.0
255.08521	1.1
269.04623	2.3
272.08890	100.0
273.09219	3.8
277.05478	1.4
287.05627	2.1
288.06198	1.3
289.07166	1.5
299.02002	1.6
306.07269	1.8
321.04376	38.3
322.04764	3.2
424.07797	1.2
443.15659	1.0
443.35162	1.1
456.11023	5.7
500.18430	1.0
519.84515	1.2
594.14252	9.8
595.14026	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	594.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98832	100.0
63.99260	0.2
71.01044	0.2
71.01397	0.9
71.63812	0.4
72.44299	0.2
73.02936	0.2
73.34924	0.2
85.23293	0.2
88.98801	0.2
89.02422	0.3
91.45087	0.2
95.05016	0.2
101.02468	0.4
108.11635	0.2
114.78040	0.2
179.10793	1.1
180.11122	0.4
225.14819	0.2
285.04108	0.3
326.56348	0.2
372.76999	0.2
413.87439	0.2
594.30151	0.7
595.31152	0.6
598.32513	0.2
601.49072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88717	0.2
55.03405	0.2
61.79076	0.2
61.98834	100.0
63.25188	0.2
70.34066	0.7
71.01412	0.3
87.30706	0.2
94.36726	0.2
122.00808	0.2
129.79190	0.2
179.10979	0.3
229.50304	0.2
327.30853	0.2
396.32022	0.2
397.80930	0.2
572.80212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98832	100.0
71.23788	0.8
76.73376	0.3
78.21989	0.3
80.96529	0.7
98.20573	0.4
101.77409	0.4
109.06635	0.3
120.51164	0.4
121.02984	0.4
125.02464	0.4
155.57127	0.3
162.83926	0.4
167.03548	0.5
329.23935	0.3
331.43683	0.3
379.75522	0.4
410.12653	0.4
428.22037	0.5
510.09778	0.4
594.15472	0.3
594.25671	0.6
595.28046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70062	0.6
57.61459	0.7
59.01384	11.2
61.98836	19.4
64.38627	0.7
66.02605	0.7
66.35679	0.7
69.51624	3.3
69.52055	2.7
71.01380	5.4
72.99343	0.9
73.02949	2.6
78.42450	0.7
83.01409	1.0
85.02953	2.5
89.02470	2.7
90.23456	0.6
93.03466	12.7
98.10875	0.7
98.20602	1.3
101.02458	5.6
103.04014	2.9
107.01428	1.9
107.03513	0.8
108.02174	0.9
109.02953	0.9
117.03460	2.7
119.01435	0.8
119.03552	1.6
119.05009	4.2
121.02964	33.3
122.03269	0.8
125.02467	3.4
135.00853	1.9
137.02463	10.8
145.02968	4.8
149.02470	2.0
150.02921	0.8
151.00377	2.5
153.01855	0.8
157.06558	1.1
159.04453	1.2
163.00316	1.7
163.04013	2.2
163.06102	2.2
167.03297	0.8
169.06627	1.2
175.00372	2.7
179.10789	2.0
183.04584	0.8
185.06061	2.5
187.03978	3.7
189.05571	1.2
190.02721	4.4
191.03091	2.9
192.03340	1.2
194.80220	0.7
197.06111	2.7
199.04063	1.5
205.05078	5.9
206.05426	2.3
207.05737	0.8
211.04010	2.5
213.05568	2.0
223.06013	1.0
224.06686	0.8
227.03520	17.8
227.07077	13.0
227.09277	1.5
228.03847	0.8
229.05080	10.2
239.03500	1.7
240.04422	0.9
241.04982	1.4
255.02986	29.1
256.03571	4.4
257.04556	5.9
267.02859	0.9
281.06708	0.9
283.02420	1.7
284.03278	42.0
285.04065	100.0
286.04367	6.8
291.08722	1.4
307.10477	2.9
427.12277	4.4
429.14059	1.6
431.09863	4.9
459.24841	0.7
473.04028	1.4
473.10919	29.6
474.11423	3.1
501.10294	1.2
565.13293	1.3
577.13507	31.2
578.13800	4.0
594.26483	3.9
595.14789	2.7
595.26740	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	594.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43284	0.7
57.03445	5.2
58.02975	1.1
59.01369	0.9
60.45922	0.8
61.98828	1.0
71.01367	1.2
71.61636	0.8
74.02478	2.1
76.60631	0.7
81.03468	2.7
83.01392	3.9
86.02471	1.1
89.02483	0.9
93.03461	1.0
95.01354	0.9
95.05024	2.6
97.02950	3.0
99.04501	2.2
99.05635	2.8
107.04999	0.7
109.02959	3.6
116.05029	0.7
116.92857	1.7
119.05087	1.2
120.00993	0.8
121.02959	2.5
123.04525	2.7
123.99858	0.7
125.00657	2.5
125.02453	35.2
126.02771	4.4
128.03548	8.7
133.02966	1.0
137.02449	22.3
138.02968	0.7
139.04015	3.8
139.99367	1.0
141.00172	10.7
143.04636	11.8
146.04585	0.9
149.02443	8.0
150.03201	1.1
151.04022	4.2
153.00180	6.5
154.00804	0.8
155.01678	1.9
159.04503	1.2
161.02440	4.9
162.05621	0.7
163.03961	1.2
164.01135	2.6
165.00153	15.8
165.01929	4.1
167.03491	10.8
168.03812	0.9
175.03949	1.4
177.00253	1.6
177.01944	1.8
177.40962	0.7
179.03362	4.6
179.04788	1.4
179.98882	1.4
180.99655	10.0
183.01196	12.8
185.02441	0.7
187.04019	0.9
192.99699	0.9
193.03261	1.7
195.01208	1.5
200.04825	1.1
201.05565	1.9
203.03491	0.9
203.08252	2.4
204.08575	0.9
210.08841	1.9
217.04979	0.9
235.04305	2.3
241.05135	1.0
243.06599	1.9
243.44466	0.8
245.04568	1.2
253.05292	0.8
254.07777	4.2
256.03354	1.2
261.02063	0.8
269.04358	4.2
272.08881	24.7
273.09106	1.2
277.05356	2.6
279.03394	1.3
283.02438	0.8
289.07056	1.9
303.03241	4.1
305.06717	4.3
306.07132	4.5
308.57455	0.8
321.04370	100.0
322.04755	7.0
355.08353	0.8
423.07263	1.6
424.07382	5.7
468.09991	1.5
594.13580	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71398	1.2
54.92049	1.1
59.01378	4.5
59.97280	1.0
61.98839	11.9
71.63925	1.1
77.57120	1.2
81.70811	1.2
93.03465	4.4
94.79304	1.2
95.05010	1.7
100.54920	1.1
105.03470	1.4
111.33092	1.2
121.02967	14.4
122.03734	4.1
130.52861	1.2
135.69917	1.3
137.02437	1.1
147.04520	1.7
149.02446	100.0
150.03230	29.4
164.04842	15.4
165.05583	26.9
167.07173	2.9
180.04297	2.3
195.06624	18.7
208.12624	1.1
270.08957	3.2
296.51971	1.2
315.12274	1.4
329.13873	2.5
383.22180	1.9
530.26727	7.4
533.82263	1.6
545.29089	89.5
546.29474	14.6
593.15192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01376	3.6
60.73259	1.0
61.98834	25.4
78.95905	21.8
83.05035	9.4
84.30450	0.9
95.05003	1.4
96.96948	2.3
97.16904	1.0
121.02950	10.9
133.02939	3.1
134.03781	1.7
135.04532	1.9
137.09758	1.1
141.49619	1.0
145.02974	1.4
147.08081	1.2
149.02449	58.3
149.09644	1.9
150.03149	2.9
150.97993	1.4
151.04012	1.2
152.99594	27.0
159.04498	2.1
161.02451	1.3
162.03233	34.8
163.03719	1.5
164.04800	11.3
165.05562	5.6
166.06363	13.2
171.00610	1.1
173.26778	1.1
175.11229	0.9
177.05573	10.4
181.08698	7.1
209.11781	1.1
215.29675	1.0
233.15497	7.5
233.74538	1.1
241.01187	1.7
277.21719	3.2
282.40378	1.3
285.03903	1.3
309.48636	1.3
315.05026	1.3
396.19305	13.0
397.19904	1.6
411.21768	100.0
412.22223	9.5
412.92953	1.1
431.22037	8.7
593.15625	1.4
593.29791	8.7
593.39496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08591	0.9
57.03439	3.2
59.01384	15.5
61.98831	80.2
65.76228	0.9
69.03463	1.0
69.44624	7.4
71.01381	12.9
72.99332	1.1
73.02953	5.7
75.00885	2.9
79.99674	0.9
83.01390	2.3
85.02954	4.3
87.00880	2.8
87.04514	3.1
88.98819	5.5
89.02450	4.5
95.01376	1.2
97.02953	1.9
97.06617	1.9
98.19879	1.5
101.02445	16.0
108.02161	1.0
109.02980	1.7
111.00903	1.2
113.02447	3.6
119.01367	0.9
119.03493	1.2
123.00902	1.6
123.04520	1.3
123.08175	2.9
124.01694	1.3
125.02473	3.5
125.09705	3.3
131.03503	4.5
135.00858	2.0
135.04468	1.4
137.02467	2.0
137.09669	1.3
139.11293	1.4
143.03429	1.5
145.02879	1.0
149.02463	5.2
149.04538	1.2
150.03149	1.3
153.09235	1.3
155.10759	5.2
159.04424	1.1
160.01675	1.1
161.02431	1.1
161.04552	2.9
163.03973	1.6
164.04774	2.7
165.05492	1.5
166.02794	0.9
167.03500	4.1
169.05090	1.0
171.10309	5.4
175.00362	4.4
175.04019	0.9
176.01016	1.5
177.01955	3.0
179.03545	1.0
181.12366	1.0
185.11893	1.0
190.02719	12.1
191.03374	3.4
192.04294	1.7
193.05104	1.0
194.02322	1.1
197.11824	1.8
199.13435	1.4
205.05072	9.6
206.05490	1.3
209.04601	2.8
214.12163	1.1
215.12810	1.4
223.06149	2.2
227.03369	1.1
227.12938	6.1
237.14934	1.6
255.02972	4.0
257.04514	1.5
263.12817	1.2
265.07199	2.3
281.06778	1.5
281.13995	3.0
284.03220	3.7
285.03995	5.0
312.12250	1.2
335.22174	1.6
341.23257	5.1
353.18967	1.5
353.23291	25.4
354.23599	2.1
371.24365	100.0
372.24655	8.4
385.25931	2.4
387.12750	1.6
413.25339	9.6
431.24890	1.4
533.29010	3.0
575.29364	1.1
593.18616	19.4
593.33099	1.3
594.18890	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	593.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03453	3.0
58.00605	0.7
59.01381	14.5
61.98834	100.0
69.03460	0.9
71.01388	12.1
71.01758	0.9
71.05013	1.0
72.99312	1.5
73.02950	2.8
75.00848	0.8
79.43111	0.6
83.01394	1.7
83.05026	0.8
85.02948	5.2
87.00918	0.9
88.98794	1.0
89.02460	4.5
95.01417	0.9
97.02921	0.6
97.06610	1.2
99.00938	1.0
101.02440	8.0
109.06617	1.0
111.00893	0.7
113.02452	4.9
119.03497	2.0
123.08156	1.3
125.02429	2.5
133.10275	1.7
135.11804	9.7
137.09735	2.0
138.06850	3.8
143.03513	0.8
153.09190	10.1
155.54688	0.7
159.02995	0.9
159.08144	2.1
161.04570	5.9
161.09731	9.1
163.11337	1.1
179.05688	1.6
179.10779	42.0
180.11101	2.7
181.12386	1.8
195.13893	1.5
205.08679	0.8
207.13951	2.0
211.13506	0.9
225.11420	1.9
225.14958	26.5
226.15331	1.2
255.02936	1.6
284.03293	1.3
285.03851	3.3
300.02814	0.8
302.19629	0.9
387.20178	6.6
431.10034	1.2
461.30859	0.9
549.30627	2.2
585.81146	0.7
587.67792	0.8
593.14282	2.8
593.29578	28.4
594.30023	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95047	1.3
57.03450	5.6
58.29831	1.5
59.01089	3.1
59.01382	60.7
60.63485	1.7
60.99303	2.8
61.98831	97.9
62.44983	2.0
69.03448	1.7
71.01388	46.7
71.63809	2.1
72.99300	5.2
73.02951	20.1
75.00848	1.9
75.83409	1.4
78.90119	1.5
83.01391	9.5
85.02954	20.0
87.00875	24.6
88.00390	2.0
88.98817	8.4
89.02442	23.4
93.03430	1.7
95.01385	3.4
97.02953	2.0
99.00881	4.6
101.01775	2.1
101.02448	43.6
103.04028	6.8
109.02978	4.3
113.02454	17.2
115.03995	2.2
116.92780	2.8
119.03513	7.1
122.84985	1.7
123.04548	2.4
125.02447	17.5
129.01884	2.1
131.03558	2.2
137.02477	4.0
143.03526	6.1
145.05064	2.5
151.00323	2.8
151.03992	3.1
152.01172	2.1
159.03065	3.1
160.54208	1.6
161.02481	2.2
161.04607	9.1
161.05786	1.9
163.06126	21.7
163.18620	2.0
165.01979	3.5
167.03506	3.3
168.00777	2.0
179.05664	1.5
181.60461	1.6
187.04028	2.6
205.05191	2.4
205.07172	5.9
225.14619	2.5
227.03534	10.2
228.04129	2.7
230.12466	1.8
245.08241	1.7
255.02966	19.1
256.03604	2.8
283.02396	5.5
284.03320	22.3
285.04019	21.0
289.07132	7.7
307.10413	2.1
387.20251	26.5
388.20685	3.1
400.44852	1.6
479.85941	1.8
504.83517	2.0
533.26099	100.0
534.26489	10.3
575.13745	1.8
593.14941	30.0
593.24457	2.2
594.15179	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
55.82584	1.0
57.03441	2.5
58.00583	2.3
58.85983	0.8
59.01382	53.2
61.98833	17.1
64.64544	1.0
69.58773	1.0
71.01386	42.6
71.64484	0.9
71.64837	1.1
72.99319	2.4
73.02948	19.7
74.27127	1.0
75.00852	2.7
75.41967	1.0
77.19991	1.0
78.70401	1.1
83.01385	12.5
83.05050	1.4
84.53859	1.0
85.02953	19.9
87.00871	4.4
88.98824	1.7
89.02453	21.6
93.03501	1.0
95.01379	2.7
97.02956	2.8
99.00861	4.8
101.02447	45.8
103.04001	6.3
105.91824	1.0
109.02973	1.4
111.00874	1.3
113.02463	18.1
114.12394	1.2
115.03969	1.1
119.03516	8.5
122.03722	1.1
123.04536	1.6
125.02463	8.7
131.03491	3.3
137.02441	3.5
143.03490	5.6
145.05081	2.2
149.02394	1.1
151.03984	1.3
159.02994	1.7
161.04601	11.7
161.05893	1.7
163.04027	1.4
163.06120	22.7
165.01909	1.4
167.03413	1.4
175.00331	2.0
177.01888	1.2
179.03493	1.2
179.05589	3.3
187.18581	1.2
191.03590	1.1
205.05457	1.1
205.07161	6.4
247.08342	2.2
253.05040	1.5
255.02979	1.9
265.04977	1.1
265.09341	3.7
281.04507	3.0
283.02609	1.3
284.03375	1.7
285.04077	3.5
289.07172	3.6
291.07629	1.3
297.04132	1.8
298.04855	3.2
309.04068	12.0
310.04327	1.1
311.05637	1.7
324.76413	1.1
327.05008	3.7
339.05063	3.9
351.04916	1.1
357.06055	2.2
387.20267	22.2
388.20599	2.0
429.08041	3.8
473.10782	3.3
483.71106	1.2
503.12146	1.7
533.26013	100.0
534.26367	11.8
593.14844	23.6
594.15125	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
56.40682	1.2
57.03446	4.0
58.98152	1.3
59.01382	43.5
61.98833	16.6
62.85219	1.1
64.45665	1.1
69.03455	2.3
69.41016	10.8
71.01380	33.3
72.99310	3.1
73.02945	14.4
75.00874	2.2
81.03455	1.9
83.01389	7.7
85.02957	11.7
87.00874	5.5
87.04504	1.4
88.98773	1.8
89.02449	19.0
95.01415	2.8
97.02962	2.6
99.00909	2.0
101.02444	27.5
103.04016	7.8
108.02183	1.7
109.02921	2.7
111.00825	1.7
113.02441	9.1
115.04005	3.2
116.92846	1.6
117.03471	6.0
119.03506	6.8
121.02991	1.3
122.03750	2.9
123.04504	3.6
125.02449	14.6
131.03505	4.1
137.02443	2.8
138.06898	1.9
139.46428	1.3
143.03467	4.7
149.02530	1.4
150.03194	1.2
153.09213	5.5
161.02457	1.5
161.04573	3.0
163.04010	1.3
163.06122	9.5
163.68387	1.2
165.01958	3.5
173.02414	3.7
175.00362	5.5
177.01944	2.1
179.05545	1.7
193.01141	1.2
195.13953	1.7
197.15408	2.1
205.05214	1.6
205.07144	3.8
207.13950	2.4
225.14919	16.8
226.15250	1.4
237.14861	2.9
255.02969	2.4
269.04614	2.0
281.04880	1.9
281.13995	2.1
283.06082	2.5
285.04089	3.8
289.07159	2.6
293.04559	60.8
294.04935	5.3
307.10291	2.9
309.04099	1.6
311.05606	5.2
327.05423	1.6
332.61279	1.5
341.06992	1.8
383.07632	1.4
387.20279	8.2
401.63361	1.4
413.08725	43.9
414.09042	4.7
473.10956	3.0
530.92633	1.4
533.26013	100.0
534.26587	12.8
593.14825	30.7
594.15021	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	593.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68580	1.2
55.01866	2.7
56.52649	1.2
57.03459	3.0
59.01385	45.9
61.98837	22.5
71.01388	39.7
72.99308	10.3
73.02939	19.2
75.00857	1.9
79.07377	1.2
81.03464	2.1
83.01398	11.6
85.02956	19.4
87.00861	2.4
88.98812	8.0
89.02448	10.1
95.01391	3.4
97.02920	2.5
99.00864	3.9
101.02448	36.2
103.04005	2.8
107.01390	2.0
109.02958	1.5
110.27302	1.5
113.02468	12.8
119.03468	3.3
125.02488	6.8
131.03491	1.8
137.02483	2.3
140.92371	1.3
143.03517	3.8
151.00359	2.6
159.02937	4.3
159.04227	1.5
161.04558	16.9
163.00337	1.9
163.06120	4.2
163.63194	1.4
165.01889	2.1
166.12764	1.2
185.05942	2.0
187.04108	1.8
199.03979	1.7
200.97783	1.2
205.07266	1.9
211.03940	1.7
227.03514	24.2
229.05049	9.2
230.05511	1.4
239.03555	1.4
249.07402	1.5
255.02994	35.7
256.03482	5.0
257.04474	4.5
284.03281	37.7
285.04044	60.6
286.04294	5.6
307.10513	1.7
387.16489	3.3
387.20508	21.4
387.54733	1.4
388.20782	1.9
533.26276	100.0
534.26880	11.9
593.15082	67.3
594.15442	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	593.2635
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.59420	0.7
59.01371	3.8
61.98836	75.3
62.98550	0.9
65.81393	0.8
71.00678	1.1
71.01401	6.4
73.02938	2.4
75.49316	0.8
78.98610	5.4
79.95737	8.0
80.96523	49.5
81.03503	0.8
85.02939	2.4
87.00893	2.3
94.98100	14.8
96.96013	1.3
97.02968	1.7
101.02457	2.2
106.98072	1.8
122.97598	4.5
125.02422	3.4
134.97577	3.9
148.99176	4.5
152.98622	5.6
164.98660	10.5
182.99704	2.4
187.55922	0.8
206.99638	2.1
225.00735	14.2
233.08629	0.8
285.04233	1.2
299.04437	1.9
593.26349	100.0
594.26605	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12868	1.0
59.01365	5.2
61.98832	26.3
62.72365	1.0
71.11910	2.6
76.30740	1.1
78.95907	100.0
79.63615	1.1
83.05009	1.7
86.70728	1.1
96.96962	17.6
102.25581	1.4
103.99572	1.3
121.02972	5.8
125.02412	2.1
125.70117	1.1
130.13928	1.2
137.98033	1.1
149.02444	13.2
152.99591	90.6
162.03224	7.2
164.04779	1.9
165.05519	2.3
166.02441	1.1
166.06297	3.3
171.00615	2.5
177.05644	2.2
181.08740	1.6
209.04585	1.3
233.15440	1.2
241.01192	26.4
277.21719	42.6
278.22025	2.8
285.04065	1.7
315.04852	8.2
396.19479	2.4
411.21649	19.7
412.21985	2.7
413.20850	6.3
431.22021	12.9
432.22092	1.9
433.74060	1.5
504.28632	1.4
593.27222	95.1
594.27808	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97675	0.7
59.01378	2.8
61.98838	9.3
64.63620	0.7
71.40638	1.3
71.68006	0.7
78.95905	71.1
96.96034	0.9
96.96973	11.6
98.63604	0.9
99.54790	0.8
104.68663	0.8
150.98007	2.0
152.99593	100.0
153.99953	1.0
155.20320	0.8
171.00632	2.5
185.25430	0.9
223.00134	11.2
241.01187	24.2
259.02176	1.7
277.21707	46.4
278.22113	3.4
315.04880	16.2
333.05902	1.5
593.27295	81.1
594.27600	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	593.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12187	0.7
52.29547	0.8
55.01876	1.7
57.03445	2.2
58.83570	0.8
59.01382	29.9
61.98835	100.0
69.03478	1.8
69.35751	1.9
69.36174	5.3
71.00993	1.7
71.01390	31.9
72.99311	1.7
73.02953	13.6
75.00870	1.5
82.50893	0.9
83.01385	7.3
85.02966	13.4
87.00880	2.7
88.98829	4.2
89.02450	7.1
95.01395	2.5
97.02957	2.6
98.19904	1.6
99.00898	4.7
99.92649	1.1
100.89754	0.9
101.02454	24.0
103.04015	3.9
107.01418	1.1
109.02959	2.1
111.00870	0.9
113.02460	8.2
115.04064	0.8
116.92885	4.6
119.03481	1.4
125.02451	7.3
131.03503	1.4
136.03850	0.8
137.02443	1.6
143.03520	2.9
145.05087	1.3
151.00360	1.4
153.09137	0.9
156.93642	1.0
159.02985	2.0
161.04570	13.2
163.06128	8.5
165.01942	1.2
167.03523	2.7
205.07188	1.4
227.03442	6.0
229.05093	2.8
247.08287	1.2
255.03003	13.9
256.03510	1.2
284.03296	14.2
285.04050	19.2
286.04559	2.7
291.35257	0.9
300.02585	1.0
307.10410	1.4
387.20261	13.4
389.25092	1.3
431.19391	1.2
469.01428	0.9
515.24451	2.5
533.26013	61.3
534.26453	7.9
593.14978	20.4
593.22906	0.8
594.15363	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	593.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62292	0.6
58.19889	0.6
58.68258	0.5
59.01389	6.5
61.98838	51.8
65.00351	1.0
69.61951	3.5
71.01389	5.8
72.99313	1.0
73.02965	1.7
75.00895	1.1
75.86161	0.5
83.01409	0.9
85.02957	1.9
87.00864	1.3
88.98819	0.7
89.02461	1.9
89.35583	0.7
90.17157	0.6
91.01895	1.5
91.05551	0.7
93.03469	1.2
95.01408	0.8
96.96026	0.8
101.02448	3.3
102.52367	0.5
109.79361	0.6
113.02458	1.9
114.01681	0.6
119.01398	5.2
121.02946	3.2
125.02477	1.2
134.03728	1.2
135.04565	1.0
137.02461	1.0
138.06911	1.9
147.00906	4.1
147.04596	0.7
149.02455	14.9
151.04021	0.7
152.01129	1.1
153.09239	4.3
161.02411	0.6
161.04564	0.8
163.04008	2.3
163.06216	0.6
164.04805	14.6
165.01950	1.7
165.05293	0.5
175.00374	26.8
176.00861	0.8
177.02028	0.8
177.05640	0.6
179.07201	1.5
189.01961	0.6
190.02733	72.4
191.03171	3.9
191.22662	0.5
205.05067	70.8
206.05481	3.1
207.06552	0.8
207.08406	0.7
208.03763	1.8
209.04601	1.9
210.83432	0.6
223.06136	25.3
223.08321	1.2
224.06404	1.0
225.14957	2.0
227.03389	0.6
254.62497	0.6
255.03088	0.9
265.07059	1.0
281.06845	0.6
284.03302	0.7
285.04111	4.0
289.07236	0.7
304.58655	0.6
371.24408	0.9
390.96222	0.5
451.89801	0.6
533.27936	0.8
578.23486	0.9
593.26038	100.0
594.26501	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	593.2636
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01389	6.6
61.98837	40.0
63.02390	3.4
65.00334	5.2
67.44611	0.5
70.19215	2.0
70.19595	1.2
71.01392	4.3
73.02948	0.9
78.98592	3.0
79.95260	0.8
79.95744	19.5
80.96524	31.2
81.03445	0.8
83.01400	3.4
83.15527	0.5
85.02957	1.7
87.00876	1.8
93.03467	1.3
94.98093	6.9
95.01370	1.2
96.96013	1.0
99.00887	0.7
101.02440	2.2
106.98088	1.7
107.01408	7.7
108.02235	1.1
109.02954	4.6
109.06599	0.6
111.20316	0.5
119.01407	1.2
119.05048	7.5
121.02975	6.1
122.97587	2.4
124.01685	0.6
125.02468	3.0
133.03024	0.7
134.97589	2.3
135.00897	1.4
135.04512	1.0
136.99129	1.1
145.02950	2.4
147.00780	0.6
148.01698	1.5
148.99146	2.3
149.02371	1.2
151.00388	28.9
152.98639	4.4
157.78227	0.6
159.04541	1.5
161.02396	1.2
163.00375	5.9
163.04034	7.3
164.01108	1.1
164.98651	6.2
165.01907	0.7
167.05002	0.6
168.85814	0.6
169.01427	2.6
171.04561	1.1
173.06044	0.9
174.03195	0.7
175.04036	1.1
178.99889	14.1
180.00264	1.0
182.99606	1.0
183.04469	0.9
185.06042	0.7
185.28824	0.6
187.04063	1.3
188.66486	0.5
190.99883	0.8
192.00591	0.9
198.03320	0.5
199.04034	2.6
201.01965	0.7
201.05545	0.9
203.03510	0.7
206.99696	2.0
211.04005	2.4
215.03540	1.6
216.04327	1.0
225.00749	10.9
226.02718	1.9
227.03551	5.8
228.04045	1.2
229.05069	1.9
239.03596	1.4
241.00278	1.2
243.03102	11.0
244.03491	1.2
245.04550	4.1
254.02226	1.4
255.02991	24.6
256.03497	2.3
266.02203	0.8
270.39981	0.6
271.02487	53.1
272.02899	5.3
273.04071	2.4
283.02505	3.6
284.03214	1.1
285.04044	1.8
299.01883	9.5
299.04596	1.0
300.02759	74.7
301.03537	100.0
302.03940	7.3
371.06577	1.0
399.09644	1.0
413.11148	0.7
429.08255	3.7
447.09363	15.4
448.09479	1.0
455.15765	1.5
495.19199	1.0
524.19867	0.8
588.41705	0.6
593.13074	36.7
593.26434	71.1
593.33905	2.6
594.13379	5.7
594.26825	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	593.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
59.01369	3.7
61.98828	10.7
63.53042	0.7
65.88159	0.8
69.03468	3.4
71.01395	3.1
71.64120	1.0
81.03468	1.6
82.20416	0.6
83.01400	1.7
85.02959	2.8
87.00878	0.9
88.98827	2.0
89.02468	1.6
95.01376	2.5
95.05071	0.8
97.02961	2.7
99.00839	1.2
101.02441	2.0
107.01405	1.1
107.15707	0.7
108.02184	3.6
109.02970	4.6
113.02474	1.9
121.02951	1.0
122.03811	1.0
123.00909	6.4
123.04530	1.7
124.01656	17.7
125.02447	46.3
126.02780	1.3
137.02449	3.6
139.07683	3.5
149.02467	1.3
149.99586	28.0
151.00343	2.1
151.04031	1.4
152.01158	2.8
153.01924	7.5
161.02373	0.9
165.01910	0.9
167.03493	1.8
168.00642	52.7
169.01407	6.0
170.45467	0.7
185.06339	0.8
187.11247	1.1
195.03058	1.1
205.12372	2.2
225.07593	0.9
227.03511	3.0
229.05081	2.3
255.03079	2.9
257.04593	1.4
284.03348	3.2
285.04037	15.6
286.04352	1.1
313.05692	2.6
315.07492	0.9
331.06644	1.0
449.10870	3.3
495.59055	0.7
533.26154	2.3
593.18817	100.0
594.19299	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	593.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99654	0.6
55.01897	0.6
57.03448	1.0
59.01377	5.8
61.14368	0.5
61.98835	14.2
65.83198	0.6
69.35052	1.6
69.35472	3.7
71.01388	5.0
72.99302	0.8
73.02919	0.7
74.86333	0.5
83.01407	0.7
85.02960	1.7
87.00871	1.2
88.98843	0.7
89.02452	2.1
91.01900	1.4
92.61146	0.6
93.03482	1.6
101.02461	2.1
105.66744	0.5
107.05061	0.6
113.02457	1.4
119.01395	4.8
121.02953	3.1
134.03777	1.4
135.04553	1.3
138.06859	2.4
147.00891	4.7
147.04535	1.2
149.02446	15.4
150.03127	1.0
150.53828	0.5
152.01186	1.6
153.09221	4.8
153.54788	0.5
162.03256	0.6
163.03981	2.9
164.04807	16.3
165.01874	1.3
169.05148	0.8
175.00375	29.6
176.00713	1.0
179.07147	2.5
189.01900	0.7
190.02724	83.6
191.03236	3.7
194.02225	0.7
205.05055	72.6
206.05482	4.1
206.34428	0.6
207.02997	1.0
207.06538	0.8
208.03763	1.7
209.04605	2.1
223.06111	21.9
223.08322	1.2
224.06456	1.0
225.14961	2.3
242.86169	0.6
263.44403	0.6
265.07321	0.6
272.15366	0.5
311.07559	0.6
327.60239	0.6
367.09958	0.8
527.13013	0.6
570.64929	0.6
578.23962	0.8
593.26001	100.0
594.26349	14.1
595.19659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
61.98827	5.2
71.01383	3.6
73.02943	1.6
75.00870	1.4
85.02939	1.9
87.00945	1.5
88.98802	4.5
89.02428	4.2
98.51819	1.1
101.02446	3.5
104.66028	1.3
109.02950	1.7
116.92847	3.2
119.03500	1.7
121.02976	2.2
123.04492	1.2
125.02442	5.8
133.02960	7.9
134.03772	1.7
135.04517	1.5
137.02477	2.5
151.00378	1.2
161.02409	1.5
163.00409	2.3
163.06192	2.1
165.01921	3.0
175.00366	2.0
175.04085	1.7
177.01945	1.8
201.01790	1.5
205.07343	1.1
209.04401	1.6
227.03432	1.8
229.67546	1.2
240.04193	1.2
241.05087	1.6
253.05083	2.1
269.04599	3.5
270.05191	2.0
281.04541	2.0
282.05261	2.5
283.02621	2.1
283.05664	2.4
283.61539	1.5
284.03296	4.4
285.04089	11.4
297.04117	17.2
298.04810	75.5
299.05402	9.2
305.06879	2.2
309.04031	19.7
310.04639	1.5
311.05530	8.1
325.03452	2.4
325.07434	1.4
326.04285	2.4
327.05078	22.5
328.05487	2.1
330.03717	4.7
338.04279	3.7
339.05154	6.7
341.06577	1.6
351.05347	1.7
353.03024	1.7
353.06812	3.2
357.06119	13.5
369.06308	3.3
381.06052	1.6
383.07523	2.5
429.08334	13.4
430.08713	3.0
473.10864	34.9
474.11270	2.2
503.11795	1.8
593.15131	100.0
594.15338	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	593.151
Annotation	Kaempferol 3-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01408	1.1
59.19920	0.3
60.99303	3.9
61.98825	1.8
63.02435	0.6
71.01392	0.6
71.62823	0.4
79.01916	0.3
87.00938	0.9
88.98808	26.2
89.02447	2.8
93.03458	1.8
101.02462	0.7
107.01430	1.3
109.02975	1.2
119.01381	0.3
125.02499	1.2
132.98814	0.3
135.00923	0.8
143.05037	1.5
149.99615	0.6
151.00403	0.6
154.04222	0.3
157.06700	0.6
159.04543	1.2
160.20345	0.3
163.00389	1.9
165.01939	0.4
167.04982	0.7
168.00656	1.0
169.06676	0.9
171.04514	0.6
183.04478	0.5
185.06056	2.8
187.04005	3.8
189.05566	1.0
195.04482	0.7
196.05380	0.4
197.06087	1.1
199.03996	0.9
201.05589	0.8
211.03929	1.6
213.05516	1.8
215.03345	0.4
223.04103	0.4
225.16100	0.6
227.03505	6.3
229.05052	13.4
230.05453	0.9
239.03479	1.2
240.04228	0.7
241.05057	1.8
255.03003	5.9
256.03699	1.2
257.04568	7.6
267.03003	1.3
284.03290	4.2
285.04044	100.0
286.04413	7.0
451.32806	1.7
533.25989	0.5
536.44580	0.4
593.14948	17.8
593.43854	0.4
594.15332	2.2
615.09937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11362	0.7
79.01910	0.8
82.13779	0.7
87.28860	0.8
93.03458	1.3
116.37682	0.7
117.03474	6.0
119.05003	1.4
120.42365	0.7
133.06563	0.9
135.04495	2.3
139.04016	0.9
147.04419	0.8
149.02470	1.2
149.06021	0.8
161.02397	2.5
163.03935	2.1
175.03995	1.8
177.05556	1.5
179.03404	1.0
191.03517	1.5
203.03496	1.3
205.05034	1.3
233.04646	1.1
234.02724	0.8
237.05463	0.8
267.06653	1.3
268.07452	2.2
281.04694	1.1
282.05264	1.5
283.06088	2.3
295.06180	4.3
296.06833	2.0
297.07687	21.7
298.07736	1.1
307.06128	1.1
309.07666	2.8
311.05634	2.9
323.05563	3.2
324.06458	1.1
325.07172	10.2
328.05902	2.7
335.05634	1.4
337.07269	3.1
351.04974	0.9
353.06665	46.9
354.06934	2.8
355.08145	1.8
356.05396	1.6
365.06735	4.0
368.56509	0.7
383.07730	27.3
384.07892	2.4
395.07693	2.5
413.08786	2.5
425.08871	1.1
473.10959	14.4
474.10962	1.8
503.12076	3.6
593.15100	100.0
594.15540	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	593.1515
Annotation	Datiscin
Peak:m/z	Relative Intensity
56.65179	0.5
65.00344	0.7
67.11066	0.5
69.32832	4.0
69.33240	1.5
80.00277	0.5
92.21598	0.5
93.03435	1.3
94.58912	0.6
98.19833	1.0
107.01410	1.2
135.00893	1.0
150.01808	0.6
151.00392	2.0
153.01936	0.8
159.04469	0.7
163.00360	1.9
167.64424	0.6
169.06601	0.7
183.04602	0.6
185.06117	1.5
187.04063	2.0
189.05553	0.7
197.06062	0.8
199.04005	0.9
211.04042	2.5
213.05580	2.0
227.01268	1.2
227.03511	20.7
228.03879	1.2
229.05052	6.4
230.05429	0.9
239.03563	1.3
240.04190	0.8
241.05029	1.5
255.03000	38.9
256.03555	6.0
257.04532	5.8
266.77689	0.5
267.02859	0.9
284.03281	62.9
285.04053	100.0
286.04395	6.2
315.16519	0.6
327.05164	1.3
369.47903	0.5
497.32037	0.5
521.04871	0.7
593.15131	94.1
594.15387	11.7
601.32703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
57.03453	10.0
57.09801	1.0
68.44401	0.9
69.12286	0.9
71.01389	2.2
71.60315	1.2
79.86795	0.9
81.03471	1.8
83.01382	4.5
87.00858	1.4
89.02460	1.2
93.03455	2.9
95.01427	1.1
95.04980	1.3
97.02951	3.4
108.02190	1.1
109.02945	11.2
111.00907	1.2
111.04506	2.5
121.02929	2.9
123.00861	3.0
123.04512	2.5
124.01624	1.5
125.02442	100.0
126.02780	2.8
131.05084	1.1
133.02962	5.2
137.02437	25.7
138.03204	1.3
139.04010	12.7
149.02431	3.3
151.03970	6.3
151.62654	1.0
159.04485	3.1
161.02440	19.2
162.03111	1.8
163.00302	1.8
163.03931	2.5
164.01117	5.5
165.01918	15.8
167.03494	11.2
175.04008	6.1
177.01918	14.7
177.05548	2.5
178.02725	1.4
179.03484	9.7
187.03987	2.7
189.05452	1.4
191.03461	1.3
193.05101	1.4
199.03845	1.2
200.04799	1.4
201.05528	2.1
203.03500	3.2
204.04198	2.0
205.01276	2.4
211.04097	1.3
215.03514	2.5
219.06601	8.9
221.04584	5.2
225.05525	1.8
227.03506	2.0
229.04971	2.3
233.08099	1.3
243.02997	4.9
243.06590	1.8
245.04478	8.1
251.07562	1.7
252.16541	1.3
253.04912	1.3
255.02979	15.6
256.03787	4.8
257.04507	2.5
261.07748	1.3
269.04550	3.9
272.08951	1.6
273.04031	3.6
282.01624	1.5
283.02435	8.6
285.04001	4.0
287.05603	8.0
289.07117	4.8
297.03946	4.7
299.05588	3.7
305.06656	73.6
306.06882	4.4
347.07501	1.6
355.08157	2.4
397.09518	1.6
423.07175	60.9
424.07544	6.7
425.08688	4.3
441.08160	7.2
467.09821	16.1
468.10272	1.4
479.06619	1.1
575.11853	1.6
593.12439	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	593.1305
Annotation	Kaempferol 3-(4''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
51.04975	0.9
53.77510	0.8
59.01376	2.7
61.98835	32.7
63.02391	1.6
65.00315	3.7
70.39751	3.5
79.94012	0.9
83.01380	3.2
92.43789	0.9
93.03499	1.7
93.69093	0.8
107.01404	6.6
108.02190	3.5
109.02948	4.2
117.03485	2.7
119.05028	6.4
121.02947	8.2
125.02407	0.9
133.02994	1.3
135.00911	1.7
135.04538	6.2
145.02959	3.6
148.01674	2.8
151.00381	31.2
152.00816	1.0
159.04593	1.0
161.02449	6.0
163.00391	6.3
163.04012	5.9
164.01230	1.9
171.04584	1.5
175.03841	1.0
177.01961	0.9
178.99870	16.9
179.03519	4.1
187.03955	1.4
191.54321	0.9
192.00681	1.1
199.04031	2.1
201.05516	1.7
208.13708	1.1
211.04024	3.6
215.03586	1.7
226.02667	1.7
227.03535	8.3
229.05032	3.8
243.03015	13.4
245.04472	2.3
254.02234	2.1
255.02994	34.5
256.03442	2.6
257.04636	2.2
271.02496	62.5
272.02838	4.4
273.03876	2.5
283.02438	2.7
284.03159	5.1
285.04025	15.2
286.04376	1.3
299.02011	8.0
300.02759	100.0
301.03516	96.7
301.07239	0.8
302.03864	6.3
307.08441	1.5
371.23923	1.2
429.08182	3.3
431.09875	5.3
447.09326	42.2
448.09570	3.8
485.19296	1.0
593.13007	71.9
594.13446	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	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84042	0.8
54.78672	0.9
57.03450	9.8
60.55978	0.8
65.03959	0.9
69.49528	1.5
69.49938	4.6
81.03448	2.3
83.01398	3.8
93.03441	1.9
95.01376	1.2
95.05030	1.4
97.02947	2.8
107.04981	1.6
109.02964	9.7
111.04523	2.8
120.06644	0.9
121.02959	2.9
123.00868	3.0
123.04573	1.9
124.01608	2.0
125.02451	100.0
126.02774	2.6
127.01871	0.9
133.02940	3.4
135.04482	2.1
137.02446	25.5
138.03198	0.9
139.04013	13.1
149.02440	2.7
151.04010	6.3
158.81598	1.2
159.04495	2.1
161.02451	17.4
161.06010	1.3
162.03175	1.5
163.00305	0.8
163.03992	1.8
164.01164	4.9
165.01949	13.5
167.03502	10.4
175.04021	7.0
177.01965	10.3
177.05519	3.5
179.03506	10.8
187.03978	2.5
189.05568	0.9
191.03378	1.1
191.07065	1.2
199.04034	2.4
201.05435	1.5
203.03484	3.2
204.04276	2.5
205.01347	3.0
205.05164	1.1
211.04001	2.3
213.05653	1.1
215.03468	1.0
217.05009	1.8
219.06610	7.9
221.04527	4.3
227.03607	1.3
229.05084	2.7
243.02940	5.7
243.06728	2.0
245.04506	5.7
255.03001	13.6
256.03683	3.1
257.04446	3.7
261.07715	2.1
263.05573	1.1
269.04559	4.5
273.04016	3.1
282.01718	1.3
283.02487	9.7
285.04031	3.6
287.05569	6.5
289.07202	3.0
297.04050	6.0
299.05508	2.6
305.06659	66.9
306.06915	2.9
345.06342	1.3
353.06683	1.0
355.08273	2.8
423.07227	60.7
424.07477	6.7
425.08658	3.6
441.08340	7.5
449.09058	1.2
467.09790	15.8
468.10159	1.6
547.17084	1.0
575.11926	2.5
593.13324	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	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12987	0.8
50.66706	1.0
57.03444	13.2
69.03486	1.1
70.10242	3.4
81.03465	2.2
83.01386	3.4
93.03435	1.2
95.01376	1.6
95.05025	1.0
97.02944	2.3
97.26991	0.8
98.06815	0.8
104.44629	0.9
107.05026	1.2
109.02943	13.2
111.04511	3.0
121.02969	2.9
122.03657	0.9
123.00862	4.0
123.04527	2.5
124.01663	2.4
125.02446	100.0
126.02773	1.8
133.02986	3.4
133.81172	0.9
135.04523	1.4
137.02441	27.3
138.03259	1.5
139.04008	12.8
149.02443	2.1
149.06114	1.3
151.03973	5.5
159.04510	1.4
161.02444	19.6
162.03114	1.4
163.00310	0.9
163.03957	1.8
164.01114	4.5
165.01907	15.1
167.03520	9.0
175.03986	7.0
177.01962	10.0
177.05521	2.3
178.02592	1.3
179.03481	9.4
187.03961	2.4
188.04684	0.9
189.01898	0.9
191.03481	1.4
191.07104	1.4
199.03999	2.5
201.05544	2.1
203.03476	2.4
204.04225	2.7
205.01393	2.4
205.04915	0.9
211.03944	2.2
213.05536	2.1
215.03412	1.6
217.05058	1.4
219.06575	7.9
221.04459	5.5
227.03485	2.4
228.04228	1.3
229.05022	3.5
242.61710	1.4
243.03015	5.4
243.06555	1.9
245.04572	6.2
245.08255	1.0
255.02959	14.0
256.03693	4.2
257.04471	2.8
261.07755	1.7
263.05222	0.9
269.04547	2.5
271.06458	0.9
273.04001	4.3
282.01645	1.2
283.02551	8.8
285.04153	2.7
287.05618	9.1
289.07135	3.9
297.03943	4.3
298.04614	1.6
299.05582	3.7
305.06653	67.5
306.06955	3.3
306.10449	1.0
345.06213	1.4
355.08209	1.8
397.09296	1.9
423.07175	57.2
424.07593	5.1
425.08749	3.3
426.08997	1.1
441.08145	5.2
467.09842	13.5
468.09927	1.4
575.11749	1.6
593.13135	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98829	100.0
62.98531	0.2
65.00323	0.2
69.47449	0.8
69.47854	0.5
70.23189	0.2
72.79336	0.2
73.64272	0.2
91.01946	0.2
102.56905	0.2
107.01424	0.6
109.03026	0.3
119.05038	0.5
121.02959	0.5
151.00342	1.8
163.00417	0.2
163.04036	0.6
164.71947	0.2
178.99893	0.7
243.03061	0.7
245.04544	0.2
255.02979	1.3
271.02435	3.4
283.02698	0.3
299.02078	0.4
300.02740	4.0
301.03534	5.9
301.06763	0.4
334.47803	0.2
339.18530	0.2
340.59341	0.2
447.09006	1.0
593.13019	2.3
593.26593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87847	0.2
59.01377	2.0
60.38588	0.1
61.98831	100.0
67.46339	0.2
71.62919	0.3
73.02969	0.2
80.96532	0.5
87.00922	0.2
94.54029	0.2
121.02984	0.2
125.02457	0.2
165.67224	0.2
202.12860	0.2
220.04672	0.2
227.65942	0.2
255.02893	0.2
267.58087	0.2
299.25488	0.2
407.81018	0.2
490.17441	0.2
518.28143	0.2
529.27966	0.3
532.30243	0.2
592.26471	0.2
593.17352	0.3
593.26331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	Kaempferol 3-(5''-feruloylapioside)
Peak:m/z	Relative Intensity
50.12624	1.0
54.34607	1.0
57.03445	15.7
59.01379	3.6
61.98833	5.8
66.02441	1.2
67.53907	1.2
69.03453	1.6
69.40915	7.0
69.41325	2.8
71.01389	2.1
81.03492	2.0
83.01405	4.8
89.02513	1.4
93.03468	1.8
95.01399	2.2
95.04975	1.1
96.77538	1.2
97.02940	1.4
97.83369	1.1
101.02430	2.8
109.02965	11.8
111.04527	2.4
117.03478	2.6
121.02941	3.5
121.22958	1.2
122.31773	1.1
123.00888	2.5
123.04510	2.3
124.01694	2.3
125.02450	100.0
125.42619	1.0
126.02766	1.8
126.68412	1.1
133.02960	3.6
135.04506	1.9
137.02451	29.9
138.03049	1.6
139.04010	11.7
149.02454	3.3
151.04004	4.1
159.04515	2.0
161.02454	20.0
162.02954	1.7
163.00385	1.8
163.04005	2.0
163.06189	1.6
164.01161	4.5
165.01912	15.1
167.03488	11.1
175.04036	7.5
177.01926	10.1
177.05585	3.0
179.03505	10.3
182.13235	1.6
183.04520	1.7
185.06020	1.4
187.04001	3.1
189.05536	1.8
191.07092	2.6
201.05609	2.1
203.03470	3.0
205.01288	2.7
205.05086	1.9
211.03928	1.4
214.02805	1.3
215.03528	1.3
217.05048	2.5
219.06686	7.6
221.04556	4.3
227.03535	4.8
229.05067	2.7
243.02969	3.8
243.06741	1.3
245.04567	4.4
245.08250	1.7
255.02994	30.6
256.03537	4.0
257.04501	2.8
261.07770	1.3
269.04480	3.1
273.04004	2.5
283.02469	47.8
284.02927	3.1
285.04050	76.2
286.04437	5.1
287.05725	7.0
289.07205	4.4
297.04034	4.6
297.07596	2.9
299.05630	4.7
302.21167	1.2
305.06668	68.3
306.07040	3.2
327.05124	3.0
353.06696	5.5
383.07578	2.0
397.09396	1.8
423.07199	52.1
424.07449	4.9
425.08911	7.6
431.09842	7.0
441.08331	7.4
446.08185	5.9
447.09235	14.2
452.07297	1.2
467.09714	15.1
468.10095	2.7
473.10666	1.7
575.11829	3.3
593.14893	35.5
594.15094	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	592.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32980	1.3
57.03460	2.0
58.00585	3.4
59.01381	77.9
61.98832	100.0
62.95459	1.3
66.92788	1.4
69.03467	4.1
71.01383	46.4
71.64008	1.9
72.99316	5.1
73.02947	20.1
81.03470	4.8
83.01397	5.0
85.02944	22.7
87.00891	4.5
88.98811	8.8
89.02448	25.7
93.03477	5.4
95.01415	2.1
97.02981	8.9
99.00895	2.6
101.02442	39.7
102.02789	1.5
103.04018	24.6
113.02418	9.0
115.04034	1.2
119.03508	10.6
123.04552	2.1
125.02452	31.5
127.04007	2.8
143.03461	3.7
145.05086	7.7
161.04585	4.0
163.06123	38.9
197.91170	1.4
205.07045	2.1
223.06351	6.7
227.07123	2.7
247.08276	6.0
267.06699	4.2
281.08212	1.9
285.03964	1.9
307.10355	56.5
308.10831	2.6
399.23657	1.6
400.23993	1.9
415.70239	1.4
531.28595	2.5
532.18372	3.8
532.28253	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	592.299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01379	3.5
61.98837	100.0
63.99248	1.0
69.34700	4.3
78.95917	1.1
102.83343	0.4
121.03031	0.8
125.02452	0.7
156.32549	0.5
160.04984	0.5
209.04518	0.5
252.59520	0.5
264.21259	0.4
350.69046	0.5
423.11841	0.6
593.14148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08495	1.1
59.01375	4.9
60.99310	14.8
61.98832	9.9
71.01353	1.4
73.02953	1.9
80.96507	1.3
88.16932	1.4
88.98811	100.0
98.20685	1.8
101.02438	8.4
128.61116	1.0
147.70811	1.1
152.85042	1.1
174.60857	1.3
179.47679	1.2
279.23032	1.7
322.85602	1.4
591.28394	3.3
591.37146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08495	1.1
59.01375	4.9
60.99310	14.8
61.98832	9.9
71.01353	1.4
73.02953	1.9
80.96507	1.3
88.16932	1.4
88.98811	100.0
98.20685	1.8
101.02438	8.4
128.61116	1.0
147.70811	1.1
152.85042	1.1
174.60857	1.3
179.47679	1.2
279.23032	1.7
322.85602	1.4
591.28394	3.3
591.37146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
60.99292	0.4
61.98803	1.2
68.67783	0.4
69.51141	2.1
70.12314	0.3
71.01355	0.7
72.99303	0.6
75.00871	2.1
77.12791	0.3
82.00617	0.6
85.02964	2.3
87.00896	0.4
88.98804	1.5
97.02967	0.4
98.00072	0.4
108.02169	0.5
110.00101	10.7
111.00882	3.7
113.02455	2.9
121.02956	0.4
123.00880	1.1
124.01657	1.1
125.02447	8.3
125.99545	0.5
137.02438	1.2
137.99594	11.4
138.03253	0.8
139.00380	17.0
140.01068	0.8
151.00359	0.9
151.03990	0.7
152.01201	3.4
153.01941	100.0
154.02731	20.1
155.03419	1.1
161.04553	0.4
165.05515	0.5
166.02705	1.2
167.03493	11.0
168.04286	35.1
169.01402	1.1
169.05064	48.9
170.05424	1.0
177.01945	0.5
179.03496	1.1
181.05066	0.6
191.03529	1.0
196.03725	0.6
209.04471	1.9
211.06113	0.8
221.04642	1.0
273.45721	0.3
277.21725	10.6
278.22345	0.9
281.06674	1.2
291.23495	0.3
313.09372	0.8
331.10321	0.4
453.83557	0.4
591.32098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.5
58.00600	2.9
59.01379	71.0
60.47545	1.8
61.98840	3.2
70.29226	1.5
71.01378	28.2
71.61762	1.7
71.62157	1.7
72.99319	5.7
73.02946	29.8
78.09069	1.5
81.03461	3.0
83.01395	4.2
85.02954	14.0
87.00876	7.2
87.04489	3.1
89.02450	26.1
93.03472	2.6
97.02937	1.9
99.00912	2.4
101.02444	55.8
103.04012	24.1
103.52531	1.7
108.02178	1.8
109.02957	4.9
113.02423	2.9
115.04006	4.9
115.08994	1.8
119.03482	11.5
120.99697	1.6
121.02954	5.3
123.04542	2.0
125.02445	54.8
127.04013	3.3
131.03482	8.0
133.02997	1.8
137.02415	9.3
143.03468	11.4
145.05072	7.2
149.02420	1.7
151.04022	4.4
152.01089	2.5
153.01944	2.3
161.02399	10.6
161.04575	2.0
163.00389	2.4
163.06129	100.0
164.01169	3.9
164.06468	2.0
165.01900	4.2
175.03947	4.7
177.01936	8.7
178.99709	1.6
189.05681	1.8
199.04070	3.5
203.07297	1.9
205.07143	14.8
217.01424	1.6
217.05061	3.0
219.02934	3.0
219.39847	1.7
231.03156	1.9
237.67444	1.8
241.05026	2.0
243.03026	4.1
244.07356	1.7
245.00764	2.8
245.04675	2.1
245.07996	2.3
265.09244	5.6
285.04086	12.0
287.05426	3.8
289.07202	7.9
290.41748	1.8
303.05106	13.1
303.08810	5.0
325.11575	2.7
421.05457	4.1
423.07257	2.8
439.06512	3.7
465.08063	2.5
591.10986	3.5
591.18982	5.8
591.26740	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	591.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76457	1.4
59.01369	4.9
61.98810	5.9
68.64051	1.3
69.03455	4.0
71.30645	3.4
75.83871	1.5
95.01379	2.8
97.02934	3.2
107.10538	1.2
123.00883	8.2
124.01662	19.3
125.02451	49.1
137.02493	1.4
149.99588	30.9
151.00385	1.9
161.82280	1.3
168.00647	52.5
169.01341	4.1
175.40807	1.2
178.06480	1.3
275.36722	1.4
513.36517	1.7
591.28107	100.0
592.28369	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	591.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	13.9
59.58814	2.4
61.98838	63.3
71.62801	2.8
72.99311	6.7
76.72559	2.1
78.58567	2.6
78.65264	2.0
83.05033	10.6
88.98813	3.0
93.03468	6.3
99.84161	2.1
121.02924	12.4
122.03754	16.7
123.04550	3.4
125.02424	4.3
132.02135	4.8
137.02441	2.4
141.01431	2.6
146.03743	5.7
147.04518	5.8
149.02458	73.5
150.03241	72.8
161.06082	4.4
164.04794	16.8
165.05577	90.1
166.05905	3.7
169.12366	5.7
177.01900	3.6
180.04282	4.6
195.06610	47.1
197.11818	6.3
233.15434	7.1
271.43460	2.6
278.30243	2.5
293.21185	4.0
528.25226	5.0
543.27612	100.0
544.27930	17.2
565.04395	2.8
591.35278	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21700	1.7
55.01883	2.7
56.26914	2.0
57.03452	22.8
57.41121	2.1
58.00596	3.9
59.01386	80.2
60.52090	1.8
61.98834	46.7
69.03456	6.3
69.48833	15.4
71.01391	55.5
72.99319	5.5
73.02956	23.9
75.00816	1.9
81.03455	4.9
83.01395	9.0
85.02958	19.5
87.00880	5.9
87.04537	3.2
88.98801	6.4
89.02445	33.2
95.01387	4.1
95.05019	2.5
97.02958	12.6
97.06566	2.2
99.00861	2.2
99.04530	3.7
100.21858	2.1
101.02448	47.7
103.04021	27.7
109.02950	20.7
113.02470	7.7
113.06082	11.4
115.04023	2.1
119.03549	14.8
119.64169	1.9
121.02960	3.7
122.03719	2.5
123.00900	2.2
123.04528	11.1
125.02454	52.1
125.06067	2.2
127.04014	4.9
135.04549	2.3
135.08186	5.4
137.02444	24.0
137.09709	6.2
139.04012	5.0
143.03520	4.0
145.05043	6.2
149.02414	11.8
151.04022	12.1
151.11240	1.9
153.09163	9.7
159.04463	2.9
161.02464	3.0
161.04552	4.6
161.06155	2.4
161.09665	3.5
162.03235	2.2
163.04015	2.1
163.06134	41.9
163.11305	5.3
164.01172	4.0
165.01901	4.7
165.09186	10.9
167.03464	3.8
175.07651	9.6
177.01942	4.0
178.02728	2.3
179.03540	4.0
187.03940	2.6
187.11304	25.0
188.04688	2.2
188.11626	3.2
190.10072	5.9
191.03505	3.3
193.12424	2.5
203.07182	7.8
205.05048	5.0
205.07150	6.0
205.12326	38.0
208.11127	2.2
211.03830	1.8
213.05490	3.5
215.07089	13.9
223.13387	100.0
224.13754	6.3
243.02925	2.4
244.03758	2.9
245.08122	6.9
247.08202	8.1
257.08334	3.3
289.07150	50.5
290.07831	2.2
296.06818	2.5
301.07187	37.1
302.07581	4.3
307.10291	31.8
308.10965	2.2
430.45743	1.8
433.05817	2.2
439.10611	11.5
495.22372	2.0
531.24335	4.1
553.23389	2.4
555.23401	2.4
591.13513	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	591.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.0
58.00584	2.1
59.01379	100.0
61.68491	1.5
61.98832	17.0
69.03469	4.4
69.36743	12.1
69.37150	3.8
71.01384	37.6
72.99306	3.8
73.02950	21.2
75.00880	7.3
83.01388	5.6
85.02948	18.3
87.00876	10.6
87.04513	2.7
88.98812	3.1
89.02467	18.0
95.01412	2.0
97.02943	6.3
99.00877	6.2
101.02441	37.8
103.03983	14.6
103.87280	1.8
109.02964	4.5
113.02457	6.2
115.04024	3.7
119.03505	8.2
122.03761	2.9
123.04539	2.4
125.02462	16.5
127.04018	3.0
131.03523	4.4
137.02487	2.9
143.03516	7.7
145.05042	4.5
150.03180	1.7
161.04494	3.1
163.06134	21.8
163.11313	8.6
164.29305	1.8
181.12349	20.5
187.11284	14.0
189.12900	4.5
205.07205	10.1
205.12303	11.6
223.13499	3.0
264.03909	2.1
307.10345	7.8
352.89319	2.3
367.17627	2.2
433.05484	2.2
463.20459	2.0
507.19882	3.2
513.23187	22.7
514.23468	2.1
515.66357	2.0
531.24707	9.5
591.20752	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	591.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59937	1.4
57.03441	5.3
58.00613	2.3
59.01382	100.0
61.98835	19.8
64.70014	1.4
67.59244	1.3
69.03454	4.1
69.16505	1.4
70.53509	2.9
71.01386	34.3
71.90556	1.4
72.99306	5.1
73.02951	23.3
75.00878	7.9
81.03457	2.4
81.95199	1.4
83.01399	7.6
83.05060	2.2
84.88960	1.4
85.02962	17.9
85.04128	1.4
86.87156	1.4
87.00893	11.6
87.04484	3.1
88.98819	5.1
89.02450	19.3
95.01361	1.8
97.02948	6.4
99.00886	5.3
99.04537	2.8
101.02454	35.4
103.04012	16.3
109.02977	2.8
113.02441	6.6
115.03981	2.3
119.03497	7.2
122.03717	2.5
123.04531	1.9
125.01610	2.1
125.02451	18.5
127.03976	2.8
131.03494	6.2
135.20216	1.6
143.03537	11.1
145.05074	5.5
161.04565	2.5
161.09776	2.0
163.06129	28.0
163.11267	8.5
165.09135	2.1
181.12341	22.3
181.51466	1.6
187.11301	15.7
189.12923	4.0
190.09999	2.5
205.07172	13.0
205.12363	12.9
223.13286	2.4
231.10266	2.9
247.08170	5.0
247.13460	2.6
260.87723	1.5
273.09619	1.7
305.08746	2.6
307.10385	4.3
367.17581	2.5
471.22443	2.2
513.23340	26.1
514.23401	3.1
531.24402	11.3
591.19489	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	591.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16844	0.5
70.11403	0.5
85.35629	0.5
98.32484	0.5
274.41898	0.6
318.14572	0.5
396.17157	0.7
416.19687	0.6
429.16229	0.5
443.22314	1.9
445.20013	1.5
445.25082	0.6
456.23230	0.9
457.20334	0.7
459.21796	1.9
462.21271	0.5
471.20892	1.3
471.25851	1.8
472.23141	1.4
482.21066	1.6
483.22110	0.6
485.20093	1.5
487.24857	2.1
489.23148	0.7
497.23553	2.8
498.23447	0.6
499.21509	2.9
500.22168	11.3
501.22443	1.3
504.21390	0.8
514.23682	0.9
515.24506	100.0
516.24786	14.3
518.22968	0.8
559.23566	3.5
594.61304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.2
60.99313	16.7
61.98839	8.6
69.76006	3.4
71.01389	2.0
72.99342	0.7
73.02962	1.3
83.01379	0.5
85.02927	0.8
87.00922	0.8
88.00398	0.8
88.98814	100.0
89.02452	6.6
89.99189	1.1
101.02448	2.1
116.17245	0.5
116.92854	1.0
117.69355	0.6
123.04608	0.7
125.02444	1.4
137.02460	0.6
161.04739	0.9
163.06218	0.8
220.75787	0.6
289.07242	0.8
451.85321	0.6
553.22937	1.3
591.22437	0.6
613.93396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.38940	0.3
61.98818	0.4
71.53212	0.3
76.14997	0.3
106.06631	0.6
124.56891	0.3
148.43071	0.3
192.35785	0.3
241.70947	0.3
366.12589	0.4
396.17310	0.4
429.16486	0.4
439.19431	0.3
443.22928	2.1
444.19131	0.4
445.20062	1.2
445.24847	0.6
447.25620	0.4
455.22580	0.7
456.23245	0.9
457.20477	0.7
458.20996	0.5
459.21841	1.9
462.20770	0.5
467.18921	0.4
471.20795	1.2
471.25662	2.3
472.23221	1.9
473.23267	0.9
482.21155	1.1
485.19839	2.7
486.19229	0.4
487.25659	2.7
489.23117	0.5
496.22931	0.7
497.23618	4.0
498.23474	0.6
499.21292	3.6
500.22153	12.0
501.22601	1.8
503.21097	0.6
513.22754	0.7
514.23816	1.0
515.24512	100.0
516.24847	15.1
518.23151	0.8
519.24017	0.5
547.27429	0.4
559.23553	4.7
560.23944	0.8
591.26288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47149	0.7
55.83418	0.5
59.01381	1.1
61.52314	0.6
61.98837	100.0
71.62843	0.7
88.98810	2.2
145.02992	0.6
151.56990	0.7
183.79236	0.5
206.42108	0.6
239.06760	0.6
289.64407	0.7
461.43796	0.6
516.01624	0.6
584.62830	0.6
604.01312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98833	100.0
63.37741	0.3
64.98675	0.3
69.56026	1.1
69.56454	1.4
74.36678	0.3
88.98816	0.4
98.19814	0.7
122.28590	0.3
151.04019	0.3
169.05083	0.4
187.79094	0.3
197.11884	0.3
278.22171	0.6
365.90253	0.3
448.45187	0.4
544.97430	0.4
574.32166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01382	5.1
59.57051	0.2
61.98832	100.0
62.79911	0.2
71.01392	0.4
71.63500	0.3
74.15817	0.2
75.00871	0.2
75.81917	0.2
76.48969	0.2
78.95934	0.4
80.31812	0.2
83.05023	0.3
125.02552	0.3
127.04039	0.2
137.02585	0.3
195.13959	0.3
211.13448	0.2
217.98689	0.2
219.14186	0.3
222.22070	0.2
235.17128	0.3
253.09341	1.4
254.09604	0.3
275.20230	0.6
276.20560	0.3
293.21268	2.3
294.21533	4.0
295.22845	0.8
322.01624	0.2
361.10883	0.3
423.34814	0.4
507.52792	0.2
527.27063	0.5
527.36194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
59.01376	2.4
61.98848	5.7
69.03459	1.4
69.50362	5.0
69.91531	0.7
71.01397	1.7
71.05025	1.1
73.07719	0.6
81.03456	2.6
83.01386	5.8
87.00908	0.6
88.98808	0.8
89.02411	0.9
93.03453	2.8
94.29756	0.7
95.01385	1.5
95.05003	3.7
97.02953	7.7
98.19923	1.4
101.02454	0.8
105.03468	1.1
108.02187	1.9
109.02957	37.7
110.03285	0.9
116.59861	0.7
119.05000	0.8
121.02960	4.8
122.03719	1.3
123.00906	1.1
123.04520	20.6
124.04948	0.8
125.02450	13.8
128.47963	0.6
131.56970	0.7
133.02951	1.0
135.04503	3.2
135.42206	0.7
137.02443	42.1
138.03085	0.6
139.04004	11.6
145.02946	1.1
146.03737	1.6
147.04518	3.1
149.01244	1.4
149.02446	27.5
150.03281	1.4
151.04016	19.9
152.04343	0.8
159.04507	3.0
160.05251	1.4
161.02446	5.5
161.06100	4.8
162.03235	1.8
163.03993	3.1
164.01170	3.6
165.01944	4.8
165.05653	1.1
167.03447	2.1
173.06117	0.9
174.03235	0.9
175.03998	2.3
175.07690	2.2
176.01102	2.6
177.01901	4.3
178.02672	3.0
179.03516	8.6
185.06126	1.1
187.03984	5.1
188.04808	4.7
191.03526	5.1
192.04146	1.4
197.06044	2.1
198.06548	0.8
199.07593	0.7
201.05637	0.9
202.06320	1.6
203.03477	1.3
203.07114	12.5
204.07303	0.9
205.05028	10.3
213.05510	5.8
215.07117	30.3
216.07458	1.9
221.08176	2.4
227.07022	1.8
229.05099	1.3
239.07222	0.9
245.08183	16.4
247.06229	1.4
255.06459	1.6
257.08221	8.4
269.56769	0.8
271.06259	0.8
275.32446	0.7
283.06046	1.3
289.07175	100.0
290.07428	4.5
300.02502	0.7
301.07159	83.1
302.07513	5.0
367.08542	0.8
439.10342	20.9
440.10742	2.6
447.09216	1.1
455.23639	0.8
591.15143	14.7
591.23712	1.1
592.15466	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	590.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09891	0.2
59.01388	1.1
61.98834	100.0
70.04530	1.0
92.72124	0.2
98.19936	0.3
137.02501	0.2
178.96263	0.3
239.85828	0.2
248.31244	0.2
576.95605	0.3
611.97528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98831	3.9
68.65443	0.2
71.63174	0.3
72.99316	2.0
75.00874	100.0
76.01215	0.5
88.98801	1.9
129.27596	0.2
179.16481	0.3
194.90800	0.3
255.55368	0.2
277.21674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50331	0.4
50.97528	0.5
59.01373	1.6
60.99308	3.3
61.98832	5.6
69.36180	4.8
72.99306	2.2
75.00874	100.0
76.01187	0.6
78.95882	0.7
83.91335	0.5
88.98809	28.8
91.52470	0.5
98.20694	0.8
98.23911	0.5
101.02396	0.7
112.34860	0.5
134.77884	0.5
277.21561	0.9
429.59518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
59.01380	17.4
61.98832	100.0
62.07069	0.6
63.99267	0.7
69.35724	2.7
69.36142	2.7
71.01398	2.3
72.99316	1.0
73.02940	0.8
75.00859	1.0
83.05019	0.7
89.02468	2.5
92.60617	0.7
101.02470	1.7
109.06632	0.7
113.02489	0.7
235.16948	3.2
253.09294	5.9
275.20178	5.2
293.21219	28.2
294.21619	2.1
402.79984	0.6
507.16125	0.7
529.28308	0.7
605.78046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03439	0.5
58.00593	1.0
59.01381	13.0
59.98520	0.1
61.98841	0.6
62.60426	0.1
68.13244	0.1
69.03456	0.2
69.47562	0.9
71.01386	14.8
72.99299	1.2
73.02950	3.1
75.00868	0.3
83.01392	1.0
83.05015	0.2
85.02950	4.3
87.00874	0.6
89.02450	7.2
95.01385	1.0
95.05037	0.2
97.02940	0.3
97.06601	0.3
99.00890	0.8
101.01766	0.2
101.02448	5.2
113.02457	8.2
113.06081	0.2
114.49885	0.1
119.03502	2.4
125.02444	0.3
125.06076	0.2
127.07628	0.3
131.03520	0.2
134.03745	12.0
135.04097	0.3
135.17407	0.1
139.07632	0.1
143.03502	0.7
149.06079	12.6
150.06429	0.4
151.69064	0.1
152.04802	1.0
153.12976	0.2
161.04546	0.9
167.07138	0.9
179.05563	0.7
179.44820	0.1
205.19560	0.2
233.22871	0.3
255.21156	0.5
259.20673	0.5
261.22205	0.3
263.23779	0.3
273.22269	1.7
275.20108	0.4
277.21716	100.0
278.22052	6.6
287.20041	0.1
289.22009	0.1
291.23306	11.1
292.23779	0.7
301.21814	1.0
311.11377	4.6
312.11703	0.3
319.22781	2.1
320.22977	0.2
329.12347	1.7
331.22839	0.4
349.23834	0.3
373.23788	0.2
589.41998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86731	0.2
50.94657	0.2
57.03453	0.7
59.01379	1.2
61.98835	1.0
63.02389	0.2
65.00333	0.8
67.01910	0.3
69.03459	0.3
69.62062	1.6
70.88103	0.2
71.01396	0.6
78.78698	0.2
78.95900	0.2
81.03458	5.5
83.01395	3.2
85.02966	0.3
93.03458	0.5
95.01380	0.2
95.05048	1.0
97.02980	0.4
99.04548	0.2
107.01437	0.3
108.02203	0.3
113.27110	0.2
119.05058	0.3
121.02981	0.6
123.04529	36.8
124.04856	0.9
125.02451	4.6
129.54404	0.2
131.01421	0.4
135.04541	0.6
137.02460	1.0
139.04051	0.5
149.02451	1.0
151.00366	0.9
151.04010	1.0
163.04034	1.0
166.02736	0.6
167.03496	100.0
168.03825	3.5
175.00377	0.9
175.28967	0.2
179.03513	0.8
180.04250	0.3
181.05078	2.0
188.14824	0.3
190.38467	0.2
191.03503	21.9
192.03799	1.1
209.04543	9.3
210.05045	0.4
221.04544	2.8
233.04562	0.3
234.38899	0.3
289.68558	0.3
311.07703	0.3
322.66626	0.3
455.24136	0.3
589.30054	4.4
589.38702	0.3
590.30609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02517	1.0
58.67267	1.0
59.01369	3.5
60.99306	15.9
61.98825	12.1
62.19715	0.9
71.63242	1.7
72.57181	1.0
75.00876	1.7
78.77569	1.0
78.95914	2.0
88.98808	100.0
97.18913	0.8
101.02464	5.0
141.01054	1.0
191.17613	1.1
216.09839	1.2
229.36789	1.3
232.93201	1.1
258.68820	1.0
268.14545	1.2
303.72333	1.2
460.40970	1.2
599.48938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51354	1.2
59.01379	7.3
60.99311	15.1
61.98827	19.2
62.88033	1.3
69.28503	1.2
69.80778	3.3
69.81188	4.7
75.00883	3.0
75.79200	1.6
76.34722	1.2
88.90770	1.3
88.98807	100.0
100.39385	1.3
116.22038	1.4
172.41045	1.2
240.37918	1.4
247.08755	1.3
277.21790	4.2
311.12708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
60.99307	17.7
61.98842	7.1
64.65984	1.3
69.79051	7.3
71.01389	1.8
72.99309	1.5
75.00874	76.3
82.50967	1.2
87.00875	1.9
88.98809	100.0
89.99176	1.6
98.20599	2.2
101.02442	3.8
223.08151	2.2
277.21445	1.8
589.37036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35825	2.3
57.03452	6.7
58.00583	3.7
59.01386	70.1
61.98833	73.9
65.00337	2.5
69.40639	20.0
71.00993	3.3
71.01387	46.2
72.99296	3.1
75.00877	3.9
83.01412	6.5
85.00932	2.2
85.02962	12.7
87.00879	18.4
88.98775	2.7
89.02448	47.5
93.03460	3.7
95.01418	5.9
95.79604	2.3
97.02966	3.8
101.02431	26.9
109.02938	5.9
113.02447	16.8
119.03506	14.1
121.02965	11.7
125.02453	44.3
125.40807	2.5
125.52775	2.7
131.03502	3.4
137.02463	15.1
137.09703	3.1
143.03477	4.7
149.04587	4.3
149.09718	3.1
151.00339	6.2
151.04018	4.2
161.02444	10.2
161.04590	5.2
164.01129	3.7
165.01921	9.8
177.01730	3.2
179.05595	14.0
199.04037	5.2
213.05560	6.4
215.07181	13.4
227.03519	3.7
237.05667	2.7
241.04961	7.2
243.03021	19.7
243.06682	15.4
253.15936	6.9
269.04614	3.4
271.06046	2.7
283.02469	3.2
289.07147	4.1
301.03622	33.5
302.04013	3.4
313.18140	9.5
331.19208	7.7
347.09161	3.3
349.20227	6.8
367.21143	2.9
373.26038	3.0
393.05679	3.0
397.22131	3.8
409.09406	3.8
437.05115	31.5
438.05371	4.4
463.06757	12.7
463.12494	3.7
509.43350	2.7
511.25586	17.5
529.26563	100.0
530.26855	11.1
571.14667	7.2
589.15955	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57890	0.9
57.03434	1.0
59.01381	44.0
61.98832	100.0
71.01387	13.0
71.64069	1.3
72.99279	1.1
73.02950	5.6
75.00883	1.3
83.01365	1.5
85.02950	3.9
87.00877	1.4
88.98793	3.3
89.02444	13.2
95.01392	1.6
97.02943	1.6
99.00870	4.0
101.02457	10.8
103.52611	1.0
108.04589	1.0
109.02977	1.4
109.06564	1.3
113.02435	4.4
119.03490	2.0
121.02991	1.1
123.04488	1.0
123.08257	1.1
124.12368	0.9
125.02434	3.4
131.03564	1.3
137.02448	2.7
149.04523	3.8
151.04041	0.9
161.04555	1.8
171.10284	1.2
177.01772	1.0
191.05489	1.4
243.02209	6.3
265.14371	2.2
289.07385	1.0
342.13556	1.1
397.22253	3.7
428.15091	1.3
428.47403	1.0
474.48154	1.1
483.27582	1.1
501.28665	8.6
529.26593	30.1
530.26892	3.4
589.25165	1.3
589.33618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74828	0.3
59.01384	3.3
61.98836	100.0
68.33412	0.2
70.20078	0.4
70.20424	1.0
71.01389	0.9
75.00868	0.2
84.94621	0.2
88.98837	0.9
89.02452	0.4
98.66589	0.3
101.02473	0.7
107.63821	0.2
130.09399	0.3
137.02458	0.2
200.05988	0.3
325.49222	0.3
428.74359	0.3
588.32849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04080	0.2
56.43967	0.2
59.01381	3.6
61.98834	100.0
70.48512	0.7
79.80538	0.2
83.04978	0.2
118.18564	0.2
125.09787	0.3
129.83646	0.2
168.38763	0.3
324.42557	0.2
525.34137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.8
58.00589	1.4
59.01381	44.9
61.98817	3.9
71.01383	26.1
72.99304	2.2
73.02944	1.3
81.03449	1.8
83.01388	6.9
85.02963	5.4
87.00838	1.0
89.02444	16.5
91.00265	1.0
93.03416	1.9
95.01370	2.3
97.02967	4.0
98.19795	2.2
99.04508	2.4
101.02444	13.4
109.02982	3.2
113.02441	6.1
113.41974	1.0
119.03492	4.6
121.02947	2.8
122.71170	1.1
125.02455	25.8
137.02451	34.8
147.04498	1.3
164.01140	2.2
165.01936	25.0
167.03511	12.7
173.06013	2.3
175.03891	1.5
185.06064	7.3
185.41396	1.1
187.07626	2.6
188.04749	1.2
197.06058	4.8
199.04045	2.0
200.04773	5.1
201.05521	1.9
209.06012	1.2
213.05513	6.8
214.06270	3.0
214.16591	1.0
215.03787	1.5
215.07104	40.1
216.07491	4.2
217.05040	4.6
225.05544	4.4
227.03421	2.7
228.04211	1.5
230.00073	1.4
237.05511	5.4
239.07068	1.8
241.05069	12.0
242.05685	1.8
243.06606	54.6
244.06946	4.2
253.08681	1.9
255.06546	3.3
265.04993	4.4
271.06085	9.5
279.06555	2.0
280.07254	1.2
281.08206	1.8
283.06052	3.4
295.09698	1.6
305.08090	4.6
319.09567	1.8
323.09259	3.7
337.10907	1.5
347.09280	6.2
365.10406	3.0
373.07108	1.6
391.08176	6.5
409.09177	13.8
410.09628	1.7
423.13077	6.9
424.13312	1.2
451.12546	11.0
463.12283	5.8
485.14722	1.5
503.15460	3.2
527.15680	5.6
543.14740	1.4
545.16553	3.2
553.14026	2.0
561.16022	2.0
571.14575	20.6
572.14685	2.7
589.15601	100.0
590.15869	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	587.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01384	100.0
60.01714	1.3
60.52931	1.1
60.57894	1.0
61.98833	71.6
70.07589	2.2
71.01388	3.4
72.99335	1.1
73.02945	1.8
75.00883	1.4
82.19821	1.0
85.02939	1.2
88.98816	0.9
89.02446	2.0
93.03477	1.0
99.00943	0.8
101.02455	3.1
101.71244	0.9
113.02467	1.2
125.09725	2.7
139.79784	0.8
146.02452	1.1
163.06116	2.7
175.68677	1.2
183.11989	1.0
185.28773	0.8
187.09714	1.0
208.21190	0.9
247.13179	0.8
263.12897	3.8
265.14450	0.9
325.20242	1.3
451.16422	0.9
527.26764	3.5
587.33990	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
55.81202	0.7
57.03450	1.0
58.00596	1.6
59.01382	100.0
61.98831	32.5
70.65987	1.5
71.01383	22.1
72.99315	2.3
73.02949	10.2
74.37233	0.7
75.00894	1.2
77.85886	0.7
83.01384	3.7
85.02959	10.4
86.00114	0.9
87.00890	2.5
87.04532	1.3
89.02447	13.8
95.01414	1.3
95.05075	0.6
96.96948	0.7
97.02950	1.4
99.00927	1.4
101.01768	1.3
101.02444	25.4
103.04007	5.6
113.02469	5.9
115.04033	0.7
119.03512	6.7
125.02480	2.5
125.07680	0.7
127.04053	0.6
131.03506	3.6
143.03511	4.7
145.05101	2.3
159.03020	1.1
161.04532	4.1
163.06123	18.0
179.05608	1.4
201.67754	0.6
202.04510	0.7
205.07162	7.2
247.08278	1.0
251.36865	0.7
265.09302	1.6
307.10696	0.7
349.68225	0.6
381.22763	14.4
382.23288	1.0
486.09381	0.7
527.28558	40.4
528.28748	4.2
587.29102	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	587.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.6
61.98828	10.2
66.65166	0.7
69.87630	4.5
71.01382	7.4
72.99294	1.0
73.02951	1.0
79.90707	0.9
83.01408	0.9
85.02964	2.7
87.00892	1.5
89.02446	2.2
98.19811	0.8
101.02451	5.8
105.05566	1.7
113.02440	3.6
116.92921	1.2
119.03457	1.0
121.02950	0.9
143.54651	1.0
161.04573	1.5
249.09828	1.7
254.25029	0.9
267.10822	11.4
277.21716	100.0
278.21970	6.9
319.11414	1.0
319.22690	1.6
382.87485	1.0
505.26035	0.9
587.39948	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	587.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04078	1.0
57.12866	1.0
59.01090	1.8
59.01378	27.4
61.98832	8.5
64.40462	0.9
64.59670	0.9
71.01390	2.3
71.05016	1.0
71.62959	1.0
71.63354	1.5
74.16537	1.4
77.69943	1.0
101.02421	1.1
104.87453	1.0
107.55889	1.2
163.04015	1.1
225.84666	1.1
267.10806	4.9
277.21710	100.0
278.22131	7.5
388.18329	1.1
587.39471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.8
57.03450	1.8
58.00604	1.4
59.01384	19.2
61.98836	22.7
69.03474	1.1
71.01386	21.6
71.63003	1.0
72.90471	1.0
72.99307	2.3
73.02952	7.4
75.00862	1.1
83.01397	4.9
85.02962	10.0
85.05074	1.2
87.00906	2.8
88.98818	1.6
89.02450	5.9
91.92348	1.1
95.01400	3.5
97.02966	2.0
99.00867	2.1
101.02454	15.8
109.02975	3.3
113.02452	7.0
116.07166	1.3
119.03513	2.6
125.02456	7.1
127.30131	1.1
137.02454	8.5
151.03998	3.1
161.04555	2.4
163.03932	1.4
166.05031	1.4
180.04283	4.5
195.06677	7.8
269.04630	1.3
365.16061	4.4
377.16132	3.8
379.17798	1.7
392.18411	1.4
395.17175	22.0
396.17722	3.3
410.19458	21.2
411.20087	3.1
425.21799	50.2
426.22351	5.6
527.24677	2.2
537.89380	1.3
551.20782	1.5
572.24487	2.2
587.27124	100.0
588.28271	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	587.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02635	0.5
54.22437	0.5
57.03463	0.9
59.01380	100.0
61.98832	89.5
67.65502	0.5
71.01385	4.5
71.11685	1.4
72.99296	1.0
73.02943	2.2
75.00883	0.9
85.02962	1.4
87.00860	0.9
89.02446	2.8
89.56697	0.5
90.67768	0.5
95.05033	1.0
99.00888	0.8
101.02457	4.4
103.04012	0.7
113.02456	1.3
113.07837	0.5
119.05083	0.5
123.04490	0.6
125.02422	0.8
131.03488	0.7
143.03441	0.8
149.06027	0.8
161.04532	0.6
163.06125	3.5
163.33713	0.5
176.71919	0.6
205.07040	1.1
213.27982	0.5
215.10556	0.6
258.04941	0.6
261.11334	0.6
263.12927	2.5
327.85101	0.6
381.22403	1.5
402.63925	0.6
527.28387	5.0
587.29706	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	587.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
58.00619	0.6
59.01381	100.0
60.01696	0.7
61.95036	0.3
61.98832	36.4
69.03456	0.5
71.01387	8.4
72.99313	1.1
73.02949	4.3
75.00890	0.7
83.01397	1.7
85.02956	2.8
87.00886	1.2
87.04528	0.3
88.98882	0.4
89.02444	4.3
95.01405	0.5
95.05077	0.3
96.96024	0.5
98.87161	0.3
99.00893	1.0
99.04509	0.3
101.02450	8.6
101.03074	0.6
101.42611	0.3
103.04020	2.2
104.67185	0.3
113.02472	2.6
115.04012	0.4
119.03474	1.8
125.02477	1.0
127.03986	0.4
131.03525	1.3
135.10762	0.3
143.03528	1.3
145.05179	0.4
151.07632	0.4
153.05449	0.3
161.04587	1.9
163.06122	7.3
201.13208	0.3
205.07104	2.6
223.26695	0.3
263.12808	0.7
265.14563	0.7
281.14078	0.6
290.66672	0.4
304.26144	0.4
336.63870	0.4
381.22787	4.4
509.25687	0.4
525.24860	0.4
527.28540	15.0
528.29187	1.4
587.28754	2.2
588.29333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
58.63009	0.2
59.01384	2.7
61.98835	100.0
63.99260	0.4
70.61664	0.2
71.01382	1.5
71.12325	0.4
72.99288	0.3
73.02955	0.6
75.00883	0.4
85.02965	0.7
87.00897	0.4
87.04533	0.9
88.98821	0.9
89.02462	1.0
89.84805	0.3
97.02972	0.4
101.02457	1.3
108.02180	0.3
111.00928	0.3
113.02464	0.4
121.02990	0.5
125.02502	0.5
135.04599	0.3
137.02464	0.5
140.53168	0.3
146.71530	0.2
149.02440	0.3
150.03261	1.0
151.04054	0.4
159.04482	0.3
164.01218	0.3
165.05576	1.2
166.02826	0.2
166.05896	0.5
168.00673	0.5
179.07114	0.4
195.06717	0.8
202.95898	0.3
204.61455	0.3
215.12962	1.6
375.26971	0.2
388.15308	0.3
417.55765	0.3
423.18494	0.3
455.14514	0.3
521.33502	0.4
525.23029	0.2
536.19983	0.6
584.24786	0.8
585.28113	0.4
585.37024	0.3
588.68958	0.3
607.94379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03855	0.2
59.01376	0.5
61.98830	100.0
62.98528	0.2
62.99273	0.2
65.91120	0.1
68.02406	0.2
69.55269	0.8
69.55680	0.3
99.12756	0.1
137.02449	0.2
163.41920	0.2
313.05746	0.2
314.05713	0.2
524.26794	0.2
554.24341	0.2
584.24872	0.3
585.25928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71993	0.2
56.52211	0.2
59.01374	0.3
61.98835	100.0
62.98549	0.4
63.82300	0.2
64.62236	0.2
69.32703	1.2
69.33127	0.6
71.01393	0.4
75.69472	0.2
89.02461	0.4
90.47000	0.2
137.02472	0.2
574.51758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98835	100.0
69.66559	0.2
71.01405	0.3
77.82751	0.2
79.15714	0.2
89.02477	0.2
92.96357	0.2
96.63033	0.2
101.02455	0.3
102.56511	0.2
137.02483	0.3
138.01112	0.2
412.22354	0.2
416.00787	0.2
474.10382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31394	0.3
59.01385	0.5
61.98833	100.0
62.98556	0.2
63.99247	0.4
71.01373	0.4
78.44131	0.2
79.48412	0.2
98.20619	0.8
100.33646	0.2
102.05607	0.8
115.05154	0.5
125.02444	0.3
128.03592	1.5
130.08762	0.5
146.04559	0.5
168.07820	0.6
179.03616	0.2
186.08810	0.3
295.98755	0.3
366.95410	0.2
407.07483	0.3
413.24100	0.9
457.26926	0.3
517.53308	0.2
542.28247	1.3
586.31097	2.1
587.14203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88078	0.2
54.41157	0.2
59.01378	1.1
61.98831	100.0
67.28094	0.2
69.32372	1.8
71.01385	0.4
80.27074	0.2
85.79846	0.3
87.04533	0.2
105.73785	0.2
159.39021	0.2
161.02386	0.2
174.35028	0.2
201.47144	0.2
218.06880	0.3
230.66556	0.2
315.21674	0.2
421.57132	0.2
586.19812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
59.01379	2.4
60.98116	0.2
61.98832	100.0
63.99258	0.5
69.03460	0.2
70.44802	0.2
71.01382	1.8
71.65027	0.3
72.99312	0.5
73.02945	0.5
81.03471	0.2
83.01432	0.4
84.85921	0.2
85.02979	0.5
88.98805	1.6
89.02438	1.3
90.16550	0.2
93.03478	0.2
99.00877	0.3
101.02436	1.2
101.24141	0.2
109.02982	0.3
113.02449	0.5
115.80378	0.2
119.03482	0.4
123.00941	0.2
123.04536	0.5
125.02501	0.5
130.99464	0.2
137.02432	0.3
149.02444	0.4
149.04601	0.3
151.03925	0.3
155.10799	0.2
157.05070	0.3
160.04143	0.2
161.04572	0.5
165.02049	0.3
175.37947	0.2
177.01813	0.3
179.05682	0.3
195.06578	0.3
269.04626	0.2
285.04114	0.5
289.07434	0.3
294.18488	0.2
311.05792	0.3
345.20447	0.3
407.07352	0.3
463.10492	0.7
527.25372	0.4
549.29102	0.3
550.29596	0.4
581.12030	0.2
586.29388	0.7
587.15253	0.6
587.30261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22954	0.3
59.01373	1.8
60.65295	0.3
61.98830	100.0
68.99881	0.3
69.50473	2.2
70.78483	0.3
71.01385	1.5
73.02943	0.5
73.69747	0.4
75.46037	0.3
85.02977	0.5
89.02457	0.6
95.01409	0.3
97.02966	0.6
101.02419	1.9
109.02963	0.6
113.02457	0.8
116.92887	0.8
117.92935	0.4
118.92683	0.5
119.03532	0.4
123.04566	0.4
124.01632	0.3
125.02485	1.3
134.03828	0.4
135.03145	0.3
137.02446	0.6
149.99567	0.6
151.04074	0.5
153.99097	0.4
163.04021	0.4
165.02042	0.3
168.00684	0.7
181.05092	0.4
193.05000	0.6
195.06635	0.4
257.04712	0.4
258.05002	0.5
422.19186	1.0
470.26920	0.3
566.51984	0.4
584.24945	2.0
585.22235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10340	0.2
57.03445	0.4
57.07106	0.3
59.01372	0.7
61.98831	100.0
69.38607	1.7
69.39014	0.6
71.01375	0.6
80.51385	0.2
82.02998	0.8
88.98826	0.6
89.02438	0.3
95.57473	0.3
98.20621	0.5
99.00912	0.3
109.02977	0.3
113.02483	0.3
115.83936	0.3
125.02406	1.6
136.04047	0.4
137.02495	0.5
143.03514	0.3
161.02492	0.3
224.64687	0.3
243.03181	0.4
258.26053	0.3
286.16983	0.3
287.10446	0.7
291.09811	0.4
295.11960	1.2
305.06546	0.3
331.09354	0.4
345.11130	0.4
363.12146	0.9
465.15216	0.4
524.27362	0.5
584.19781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10340	0.2
57.03445	0.4
57.07106	0.3
59.01372	0.7
61.98831	100.0
69.38607	1.7
69.39014	0.6
71.01375	0.6
80.51385	0.2
82.02998	0.8
88.98826	0.6
89.02438	0.3
95.57473	0.3
98.20621	0.5
99.00912	0.3
109.02977	0.3
113.02483	0.3
115.83936	0.3
125.02406	1.6
136.04047	0.4
137.02495	0.5
143.03514	0.3
161.02492	0.3
224.64687	0.3
243.03181	0.4
258.26053	0.3
286.16983	0.3
287.10446	0.7
291.09811	0.4
295.11960	1.2
305.06546	0.3
331.09354	0.4
345.11130	0.4
363.12146	0.9
465.15216	0.4
524.27362	0.5
584.19781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67593	0.5
59.01382	1.5
61.98831	100.0
69.29515	1.7
69.29941	2.7
71.01392	1.8
85.02991	0.5
89.02443	0.9
101.02441	1.3
113.02436	0.7
125.02458	1.1
134.03777	0.9
137.02536	0.8
148.01683	0.4
151.04031	0.5
168.00719	0.5
181.05020	0.8
193.05145	0.9
232.12218	0.5
257.12109	0.5
336.98755	0.5
406.15860	0.6
421.18973	1.3
422.19067	1.3
474.76410	0.6
584.24481	3.7
585.22241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33138	0.3
61.98833	100.0
69.40377	1.5
69.40804	1.4
72.04510	0.3
78.77440	0.3
91.27933	0.3
108.02159	0.5
112.97929	0.3
152.01233	0.5
214.82323	0.4
231.40749	0.4
291.66568	0.4
305.49808	0.3
315.07205	0.5
316.07605	0.4
428.94382	0.3
430.45508	0.3
524.22308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65498	0.4
55.87540	0.4
59.01383	0.6
61.98829	100.0
63.99231	0.7
71.01385	0.6
71.04208	0.4
72.17410	0.5
83.93739	0.4
89.02458	0.5
112.77793	0.4
125.02444	1.3
137.02437	0.4
148.04068	0.8
150.03171	0.6
165.05591	0.5
166.05141	1.5
187.46631	0.4
210.04051	0.5
304.13345	0.4
351.98254	0.4
496.19550	1.1
554.20966	0.6
566.20880	0.5
584.28180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76169	5.5
61.98830	62.5
62.74723	5.9
69.28693	60.2
78.95914	7.4
78.98591	6.1
79.95751	6.5
80.96503	45.3
94.98071	13.1
103.43225	5.5
116.92861	11.7
140.90771	5.8
150.59389	5.9
164.98557	7.6
204.83119	11.6
219.37614	6.7
219.85713	7.1
249.86668	7.3
254.26474	5.7
262.87708	7.1
263.14890	6.9
279.23334	71.6
280.23654	7.6
303.23270	26.7
317.93085	6.8
320.17633	8.1
548.11975	42.4
567.70935	6.2
583.31531	100.0
583.46075	16.2
584.32288	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	584.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77994	0.1
59.01378	0.2
61.98831	100.0
69.38003	0.5
69.38429	0.7
93.03469	0.5
94.03819	0.2
101.02486	0.2
159.14583	0.1
169.06561	0.1
174.66879	0.1
191.88065	0.1
213.05624	0.3
214.05939	0.3
215.06203	0.2
585.29706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75824	0.6
59.01385	4.9
61.98836	100.0
63.99259	0.7
69.41962	3.4
71.01401	2.8
72.99332	0.5
73.02972	0.7
75.00862	1.0
83.01431	0.8
85.02953	1.3
87.00870	0.9
88.98825	1.2
89.02457	2.7
96.96054	0.6
101.02469	1.7
108.02209	0.5
110.56454	0.4
113.02449	1.0
119.03522	0.8
123.00879	0.5
123.04485	0.5
125.02501	0.9
135.04568	0.7
137.02466	0.9
149.02467	0.6
150.03239	0.6
151.04208	0.5
161.04527	0.7
163.04018	0.5
164.04826	0.7
165.05614	0.7
168.00688	0.7
177.01981	0.7
179.07210	0.5
180.92549	0.5
233.08449	0.6
285.04111	0.8
406.89401	0.5
584.24829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	90.0
61.98838	50.0
62.73811	2.1
73.44917	2.1
74.20438	1.8
118.41010	2.0
121.02950	4.0
135.04529	22.4
146.36864	2.2
149.02452	45.5
151.00356	2.7
164.04810	100.0
165.05174	2.9
166.02705	6.5
167.03540	3.4
179.07153	86.3
180.07529	3.3
181.05042	9.4
367.31268	2.0
373.12762	2.4
388.15164	2.4
403.17587	20.8
410.67960	2.0
521.31635	2.2
583.31842	2.6
583.36841	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	583.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56332	0.6
55.01876	1.7
57.03446	1.2
59.01381	21.4
61.98516	1.1
61.98831	19.0
62.39813	0.6
63.07872	0.7
64.11197	0.6
69.03443	1.1
70.28017	2.6
71.01379	21.5
72.99322	1.7
73.02953	10.5
76.60992	0.7
78.95922	0.7
79.92436	0.7
81.03471	1.0
83.01383	7.3
85.02953	10.7
85.16035	0.7
87.00854	1.5
87.04514	100.0
88.04840	1.8
89.02458	3.6
95.01395	1.2
97.02948	2.2
98.20683	0.8
99.00880	3.3
101.02439	17.7
101.03084	1.3
103.04014	1.1
109.02943	0.6
113.02438	6.8
114.20033	0.6
119.03503	1.9
124.01660	1.0
125.02464	5.7
127.04021	1.3
134.67218	0.6
135.13539	0.7
141.59142	0.7
143.03464	1.3
149.99583	1.6
150.03177	2.2
159.03081	1.0
161.04576	6.3
163.06137	1.7
165.05568	2.1
168.00618	2.8
195.06622	1.6
202.07991	0.8
229.07088	1.1
289.09436	1.2
289.16650	1.2
307.17648	5.5
357.09750	1.0
377.21774	6.0
387.14456	1.2
435.22394	16.9
436.22461	0.9
453.23352	1.9
523.27570	25.1
524.27734	2.9
583.23358	4.7
584.20062	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	583.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13729	0.5
56.66092	0.6
57.03431	1.3
57.52406	0.5
58.67415	0.6
59.01381	8.6
61.98525	0.6
61.98832	10.7
62.55511	0.6
69.30364	0.9
69.30769	4.5
71.01383	7.7
72.47964	0.5
73.02938	2.4
83.01381	2.1
85.02955	2.9
89.02434	2.0
95.01399	0.6
97.02946	1.0
98.20633	1.1
99.00902	1.0
101.02438	7.6
109.02924	3.0
111.04527	0.8
113.02468	2.9
123.04526	1.1
124.01690	2.7
125.02453	8.3
135.04536	1.0
137.01425	1.0
137.02452	15.9
138.03236	5.1
138.58409	0.6
139.04021	6.2
149.02467	0.7
150.03183	0.9
151.04012	6.0
152.04768	4.0
153.05554	1.3
155.10757	1.7
161.04538	2.4
162.03214	1.5
163.03976	2.1
164.04739	1.0
165.05534	1.9
166.20547	0.7
175.04007	1.8
176.04762	1.3
177.05562	2.3
180.04288	4.7
181.05081	9.7
184.03751	1.0
188.04750	0.7
189.05481	0.9
190.06255	0.9
191.07199	0.9
193.05051	0.8
194.05850	3.7
195.06619	19.3
199.09747	1.8
205.08759	0.6
207.06525	2.9
208.07295	0.7
209.08182	4.0
237.07675	0.9
253.10875	0.9
289.07379	1.0
361.12463	3.8
366.73300	0.6
373.12979	0.8
375.14514	2.9
377.18234	4.1
391.13989	11.3
392.14410	1.4
406.16357	15.5
407.16678	1.4
421.18692	100.0
422.19061	8.7
480.76889	0.6
523.23169	6.4
583.22845	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93294	0.5
54.22675	0.5
55.01868	1.9
57.03448	1.1
58.00589	0.9
59.01100	1.0
59.01383	14.2
61.98830	33.8
70.22092	1.2
70.22509	1.5
71.00989	0.8
71.01385	15.9
71.11312	0.4
72.01733	0.6
72.99306	0.8
73.02952	5.9
83.01385	4.1
85.02950	8.7
86.00101	1.2
87.00880	1.7
89.02434	4.2
95.01396	1.6
98.20538	0.6
99.00880	2.2
101.02450	15.8
102.02808	0.5
103.04000	1.5
109.02969	0.6
110.02454	0.6
110.70699	0.6
113.02451	4.9
119.03515	0.7
120.38387	0.5
123.04404	0.6
125.02417	1.1
131.06030	0.5
136.38315	0.5
137.02440	1.7
138.03242	0.5
143.03479	0.6
143.39349	0.6
149.02368	0.6
150.03195	1.9
151.03976	1.2
152.04756	1.1
161.04575	1.1
163.03998	2.3
165.05569	2.1
166.64941	0.5
178.06396	1.5
179.03500	1.2
181.05081	13.1
182.05760	1.0
194.05782	1.5
196.07394	20.0
197.08086	1.5
209.08197	3.2
211.09750	30.0
212.10110	1.4
225.07594	0.8
236.18718	0.6
239.08931	0.5
358.12717	3.3
373.15021	100.0
374.15363	8.3
387.16464	0.9
522.08282	0.5
583.23975	23.5
584.24292	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.6
60.99314	19.1
61.98835	46.1
71.01388	4.0
75.95822	1.3
85.02961	1.6
87.00874	2.3
88.00420	1.5
88.98813	100.0
89.02448	21.8
89.99193	2.0
98.20660	2.9
100.35560	1.4
101.02407	1.6
113.02465	2.7
121.02928	1.9
123.12656	1.3
125.02497	1.9
137.02451	2.1
168.00620	3.2
175.03961	1.2
197.04642	1.9
289.07263	1.8
347.24380	3.4
480.09277	1.4
493.21140	1.8
572.04303	1.4
583.25995	3.1
584.15985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14335	1.3
51.07713	1.4
55.01863	2.5
58.27879	1.4
59.01381	22.5
61.98835	13.2
69.38770	13.5
69.39097	2.0
71.01386	13.1
73.02947	3.9
83.01411	3.0
85.02950	6.8
89.02443	7.8
95.01430	2.3
95.80212	1.4
101.02448	10.5
109.02948	2.4
113.02427	4.9
118.33949	1.3
119.03516	2.9
125.02433	3.9
125.82045	1.4
134.03758	2.6
137.02455	12.0
138.03197	4.3
139.04012	3.3
151.04015	5.0
162.03247	2.3
163.04001	4.5
177.05550	3.9
180.04243	7.7
181.05049	10.7
191.07115	1.9
193.05019	2.4
195.06635	16.0
207.06645	2.0
209.08051	2.6
256.95706	1.4
330.24774	1.5
361.13113	3.1
388.15549	3.9
391.14059	5.7
403.17456	4.2
406.16409	12.5
421.18707	47.8
422.19092	6.7
457.82565	1.6
568.21216	1.7
583.23950	100.0
584.24432	14.5
597.01929	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	583.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	20.3
61.98835	100.0
65.26652	2.9
68.96064	3.5
71.01405	16.9
71.41694	5.3
71.42038	5.1
71.84846	3.0
75.00860	16.3
80.91688	14.5
85.02968	4.4
88.98812	6.1
89.02426	6.5
96.96020	3.3
101.02467	11.1
109.02942	3.2
113.02435	5.0
115.03922	3.3
121.02969	4.3
125.02413	3.5
137.02437	5.5
147.04453	4.7
162.05635	5.5
165.05565	9.1
195.06577	3.6
197.53256	2.9
346.13971	3.7
361.16528	23.1
371.12177	3.1
429.69351	3.5
433.15305	3.4
523.21600	43.9
524.22021	6.3
583.23389	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	581.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93347	0.5
55.01878	0.8
57.03440	1.3
58.47505	0.5
59.01382	8.4
61.98832	100.0
62.98536	0.5
63.99304	0.7
65.74584	0.6
69.03507	0.7
70.93133	1.1
71.01385	6.8
72.99310	0.7
73.02956	2.7
75.00884	1.3
78.95923	0.6
81.03470	0.8
83.01411	0.9
85.02954	3.0
87.00874	1.0
87.04538	0.8
89.02454	3.0
93.03465	4.2
96.96035	1.5
96.97012	0.9
97.02917	1.0
101.02448	6.2
103.04028	0.9
109.02972	0.7
113.02455	1.3
119.03503	0.8
123.00932	1.0
123.04562	0.7
124.01701	2.1
125.02467	5.7
131.03531	1.0
137.02434	1.5
145.05115	0.5
149.99565	2.7
151.00360	0.6
151.03967	0.8
152.01128	0.6
161.04596	0.9
163.06154	2.4
165.05551	0.7
166.47540	0.5
167.03455	0.6
168.00662	6.1
169.01416	0.6
205.07097	0.9
213.05588	3.3
233.45515	0.5
251.48497	0.5
279.23456	0.6
313.23975	1.6
331.25024	0.9
341.26880	5.3
342.27835	0.7
359.28030	24.0
360.28375	2.6
373.29642	2.5
380.40326	0.5
401.28940	2.5
539.67328	0.7
581.22009	10.4
582.23395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01385	2.2
61.98836	100.0
63.99269	1.2
67.98301	0.3
70.94273	0.8
71.01401	0.9
73.02941	0.5
80.55725	0.4
85.02971	0.5
87.00902	0.3
88.98238	0.3
88.98818	1.0
89.02468	0.9
94.34570	0.3
99.04548	0.8
101.02463	1.1
113.02493	0.5
123.00864	0.3
124.01707	0.4
125.02450	1.1
130.15031	0.3
137.02444	0.4
150.03171	0.3
165.02025	0.4
165.05626	0.5
171.85550	0.4
182.01218	0.3
195.06766	0.4
225.61362	0.3
269.41125	0.3
277.11115	0.4
301.07260	1.3
316.09390	0.8
317.10913	0.3
331.11963	1.2
343.72073	0.3
483.71158	0.4
522.26508	0.7
550.91339	0.4
582.23804	1.1
583.24695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65460	0.2
59.01394	1.2
61.98834	100.0
69.64130	1.3
71.01382	0.8
85.02928	0.3
89.02442	0.7
89.97102	0.2
101.02463	0.4
105.39101	0.2
113.02411	0.4
119.03506	0.3
189.29465	0.3
391.23337	0.3
402.16266	0.3
431.12961	0.3
473.82086	0.2
522.26215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41671	0.8
59.01092	1.4
59.01380	21.3
61.98831	100.0
63.63096	0.9
69.95941	4.3
71.01380	6.8
73.02949	2.4
75.00863	1.1
76.33636	0.8
85.02951	1.9
85.32607	0.8
87.00885	1.5
89.02441	3.0
101.02441	4.1
102.77712	0.9
106.50064	1.0
113.02400	1.3
125.02409	1.2
137.02475	2.6
145.02986	0.9
149.02544	1.0
149.05983	1.4
151.03967	1.3
163.06117	2.2
193.05078	1.4
205.07179	1.1
216.36919	1.0
339.25626	1.5
355.64355	0.9
357.26193	1.1
505.22110	3.6
519.31702	15.3
520.31915	2.0
531.61023	1.0
582.21069	1.6
582.30750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05925	0.2
55.51222	0.2
59.01376	0.8
61.98834	100.0
65.31400	0.1
70.11448	0.5
70.11853	0.3
76.33074	0.1
78.95912	0.6
80.91699	1.7
101.54524	0.1
119.61406	0.2
152.42084	0.2
152.99677	0.3
224.06859	0.2
279.23279	1.6
280.23715	0.6
281.24084	0.4
282.24252	0.3
298.23956	0.2
417.16333	0.1
504.31088	1.0
505.31299	0.2
506.31775	0.2
507.32004	0.5
567.72626	0.2
581.27295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07026	1.0
52.81249	1.0
53.73210	0.9
54.58796	1.2
57.88290	0.9
59.01373	2.2
59.50055	1.1
60.18306	1.0
61.98819	4.4
63.96239	1.2
69.50449	8.3
71.01394	7.8
73.02950	1.5
75.00879	1.9
78.98580	6.0
79.95724	11.4
80.96518	66.4
83.01382	1.3
85.02948	3.7
87.00857	3.4
87.56115	1.0
92.22610	1.0
94.98081	14.4
96.95985	1.4
97.02926	1.6
98.20683	1.8
101.02453	2.3
106.98087	3.2
122.97585	3.3
125.02434	3.1
134.97566	4.7
136.99142	1.4
148.99133	5.6
152.98616	5.0
164.98637	12.7
194.50276	1.0
206.99524	2.4
225.00726	14.0
225.52602	1.1
277.21658	3.0
281.24866	1.5
283.26422	1.2
299.04361	1.9
383.26523	1.2
517.83362	1.1
546.10193	1.4
563.39215	2.2
581.29980	100.0
582.30151	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	581.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16244	0.4
58.01220	0.4
63.96239	0.9
69.03444	0.5
69.50417	3.1
71.01386	4.5
73.02942	1.5
78.98593	4.7
79.95741	8.3
80.96523	57.5
81.03452	1.1
85.02950	2.3
87.00877	2.0
94.98095	13.1
96.96016	1.1
97.02950	1.4
98.19866	0.8
99.00906	0.6
101.02456	2.3
105.86250	0.4
106.98080	2.5
122.97583	4.6
125.02458	2.3
127.04018	0.7
133.40460	0.4
134.97588	3.8
136.99141	1.0
148.99158	5.1
152.98637	6.0
164.98630	8.9
167.00276	0.5
175.37465	0.4
182.99654	2.0
206.99696	2.8
220.67155	0.5
225.00749	15.5
226.01073	0.7
235.28548	0.4
243.01787	1.4
281.24902	3.3
283.26422	1.2
299.04385	2.1
400.04651	0.4
581.30023	100.0
582.30310	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	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
61.98835	100.0
62.98556	0.3
67.84386	0.1
68.84035	0.1
69.25480	0.2
69.36351	1.4
78.91913	0.4
78.95922	0.4
79.69660	0.2
80.96519	0.2
82.96119	0.7
84.96534	0.2
96.96940	0.2
96.97696	0.2
149.02559	0.2
152.99594	0.4
173.21449	0.2
186.00211	0.2
222.50667	0.2
253.20717	0.2
279.23276	2.2
280.23703	0.6
281.24094	0.5
282.24194	0.3
322.96356	0.2
504.31274	0.7
507.32245	0.3
581.27759	1.8
581.35577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.7
61.98832	100.0
65.64317	1.2
71.01384	15.1
73.02954	2.3
78.91862	1.3
83.01374	2.0
85.02940	3.3
89.02442	16.5
101.02438	6.4
104.83577	1.5
109.02984	1.4
113.02450	5.5
116.92883	2.0
119.03539	6.3
125.02411	2.1
131.03537	1.8
143.03526	1.4
148.10364	1.6
161.04601	1.8
179.05600	5.0
188.24498	1.3
241.67477	1.5
263.05634	1.3
283.09692	4.4
300.64383	1.4
311.09323	10.4
312.08737	1.5
326.11420	7.5
341.13864	11.1
362.37604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
57.03444	3.2
59.01381	30.9
61.98838	26.1
69.30924	10.1
69.31348	5.9
71.01385	47.7
72.99303	3.3
73.02949	12.0
75.00864	9.8
83.01391	5.7
85.02953	16.1
87.00867	4.6
88.98786	3.1
89.02445	17.4
95.01390	4.9
97.02940	2.5
98.19836	3.7
99.00872	9.1
99.04539	2.4
101.02441	27.7
109.02922	2.4
110.64506	1.6
111.00900	5.4
113.02450	16.6
113.24724	1.7
119.03490	2.9
123.04518	3.9
125.02448	12.9
126.02779	2.3
126.84646	1.6
131.03497	2.5
135.04501	2.2
137.02460	7.8
143.03368	2.1
147.03259	2.8
148.04063	2.6
149.02412	2.3
149.04509	2.7
155.10753	6.3
159.03026	2.2
161.04558	14.0
161.05780	2.3
176.03485	3.2
179.05708	2.7
183.62634	1.9
195.06622	2.2
204.07187	1.8
205.05170	2.1
215.11855	3.2
221.08118	1.7
227.16499	10.3
241.07416	2.1
241.09735	2.9
255.11423	2.8
281.09314	5.3
289.07281	7.9
290.07440	7.1
291.07751	5.5
299.10345	5.7
325.08243	2.5
375.11758	3.3
389.21771	23.4
390.22137	2.2
419.11063	60.2
419.17017	9.1
420.11078	5.7
521.26080	100.0
522.26172	8.5
541.39148	1.7
581.15674	6.5
581.22369	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.7
69.61224	4.8
70.43538	0.7
70.79977	0.6
98.20522	1.7
109.02982	1.2
122.45593	0.8
124.01653	1.7
125.02430	0.9
137.02412	1.2
139.04024	2.4
153.05603	0.8
175.03976	1.6
205.05092	0.7
206.05894	1.3
213.14078	0.7
221.08208	3.1
260.47650	0.6
264.08997	0.7
295.32211	0.8
295.70267	0.7
298.04761	0.9
301.07077	1.2
312.06439	1.6
313.07080	5.1
314.07718	0.9
327.08719	5.3
328.06082	0.9
329.06610	3.4
329.10120	1.3
341.10434	1.0
343.08304	3.7
343.11987	0.9
344.08911	6.7
358.10587	16.9
359.11334	29.0
360.11743	1.7
373.12924	30.2
374.13336	2.7
389.12396	12.7
390.12891	0.8
404.14798	16.6
419.17111	100.0
420.17386	10.3
521.26251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
52.75255	1.5
55.01896	1.7
58.00575	1.9
59.01383	33.8
61.98838	21.1
71.01377	15.9
73.02955	2.9
74.99837	1.7
83.01381	4.7
83.03477	1.5
85.02953	8.8
86.89733	1.9
87.00879	2.6
89.02455	13.4
95.17746	1.4
99.00895	3.7
101.02447	16.9
111.54111	1.5
113.02435	5.5
114.10099	1.5
115.04041	2.2
119.03528	8.8
123.00883	8.1
131.20728	1.8
138.03206	20.6
139.03981	3.0
143.03535	3.2
149.35568	1.7
153.05609	13.7
187.03973	3.6
188.04817	2.8
202.06389	4.5
203.07098	5.2
212.54071	1.7
221.08215	2.9
229.66489	2.0
233.08170	9.6
294.05344	2.3
313.07132	2.6
340.09695	2.0
341.10229	2.9
344.09079	2.5
355.11850	3.4
358.10748	8.0
359.11414	10.9
371.11395	6.5
373.12836	11.9
386.13580	3.4
389.12558	5.3
401.16132	6.1
404.14780	5.9
405.15274	4.6
419.17169	38.9
420.17166	3.5
547.25885	1.7
566.19794	5.7
581.22382	100.0
582.22723	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	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.1
61.01222	0.3
61.98833	5.3
65.12086	0.3
69.34338	2.1
69.34760	0.8
71.01104	0.2
71.01389	2.8
72.99289	0.3
73.02949	3.6
84.66542	0.2
85.02950	1.2
87.00877	1.1
87.04537	0.5
89.02440	1.9
93.03458	90.2
94.03777	1.9
101.02439	3.9
103.04024	2.4
108.28294	0.3
115.04013	0.6
119.03500	0.5
125.02416	1.3
131.03479	0.9
143.03496	0.9
145.05098	0.4
163.06128	3.8
167.05020	0.4
169.06584	19.3
170.06906	1.1
205.07185	2.0
213.05566	100.0
214.05920	6.2
227.07095	0.5
255.06564	0.4
307.10327	0.3
314.31317	0.3
376.78708	0.3
521.16327	0.7
603.62921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48264	0.3
57.03445	0.7
59.01386	7.6
59.40047	0.3
59.91921	0.3
61.98836	100.0
62.98543	0.7
63.73294	0.3
63.99272	0.9
69.32890	2.9
71.01386	4.2
72.99327	1.4
73.02946	2.3
75.00884	1.2
78.91913	0.4
83.01444	0.9
85.02972	1.4
86.00104	0.4
87.00887	0.9
88.98818	1.8
89.02463	2.7
93.03464	17.0
99.00909	0.9
101.02457	4.2
103.04024	0.9
108.02146	0.4
109.02995	0.9
113.02496	1.3
115.53148	0.4
116.92923	0.5
119.03517	0.9
121.02930	0.5
122.03690	0.5
123.04596	0.7
125.02488	1.9
131.03516	0.5
137.02469	0.8
138.03268	0.4
143.03532	0.8
145.02989	0.5
151.04015	0.8
161.02435	0.6
161.04642	0.7
163.04022	0.6
163.06180	1.9
165.01985	0.5
168.00728	0.5
169.06560	3.4
178.02754	1.0
179.03534	0.7
179.10825	0.4
193.05112	1.2
205.07121	0.8
213.05592	17.8
214.05920	1.2
223.09891	0.4
225.11371	1.0
285.04361	0.4
287.22507	0.5
327.14691	0.5
331.25073	0.9
375.23962	0.5
388.33682	0.5
404.29846	0.4
419.15164	0.8
521.29993	1.2
545.27240	0.6
581.22076	1.3
581.31659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	27.1
71.01368	29.7
73.02928	6.9
74.99127	9.8
75.00861	28.3
85.02940	13.4
87.00855	27.2
89.02444	31.6
101.02468	37.7
104.01823	6.5
105.85392	7.0
119.03471	17.6
120.81713	7.2
131.03453	13.6
143.03496	7.2
147.24202	8.7
149.04510	12.1
161.04610	9.2
165.04012	10.5
179.05589	100.0
209.06689	8.6
221.06699	8.1
239.07787	14.5
247.12082	7.1
359.06421	7.2
377.14343	8.8
463.37363	6.7
522.69403	7.4
555.39227	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11274	1.3
50.16029	1.1
55.01869	1.8
57.03415	1.9
57.57397	1.1
59.01379	26.4
61.98835	53.0
69.56776	4.9
69.57185	3.6
71.01381	21.8
72.99303	2.0
73.02956	3.5
75.00862	2.5
81.99194	1.2
83.01392	3.6
85.02950	7.5
87.00877	3.2
87.16320	1.5
89.02462	11.4
91.95834	1.3
95.01383	2.2
95.97945	1.1
98.20761	1.2
99.00867	1.8
101.02444	15.2
103.00383	1.2
111.00871	1.5
113.02444	5.7
113.05992	1.2
114.23874	1.3
119.03475	2.8
123.00874	1.8
124.01674	2.0
125.02464	3.5
137.02463	2.8
138.03192	1.9
139.04042	2.8
141.85672	1.2
149.04547	1.9
153.05559	3.3
161.04503	1.4
165.01927	1.5
174.03242	2.1
175.03951	1.9
179.39546	1.4
187.03998	3.1
188.04648	1.8
189.05502	5.9
196.57706	1.2
201.05682	1.5
202.06383	1.2
203.07063	1.6
204.04198	1.4
205.05061	2.4
216.96719	1.4
219.06581	2.3
221.08182	2.6
223.06171	1.5
296.06113	1.3
311.05478	1.6
313.07291	1.7
327.08578	2.6
340.09427	3.1
341.10379	6.1
343.11771	1.3
344.08978	2.0
355.11902	5.5
358.10593	4.4
359.11295	7.0
371.11578	1.8
373.12973	15.0
386.13824	2.3
389.12643	6.0
389.21161	1.7
401.15927	3.3
404.14731	10.4
419.17221	45.1
420.17490	3.2
441.83066	1.3
521.24988	3.7
545.26331	1.9
566.20056	5.0
581.22418	100.0
582.23029	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	581.1823
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01375	4.3
61.79585	0.9
61.98826	3.7
69.54988	1.5
69.55394	7.2
71.01385	3.3
78.95906	100.0
78.98569	1.8
79.95769	1.4
80.96523	14.4
94.98080	4.2
96.95989	1.4
96.96973	4.8
98.19798	1.2
99.23779	1.1
99.92599	12.9
100.93390	2.1
103.97783	1.0
115.92078	36.5
116.92107	1.3
116.92861	32.0
119.77701	1.1
120.96970	1.1
150.98016	4.1
152.99602	24.3
155.95282	1.2
164.90543	2.3
164.98602	2.2
171.00624	12.7
172.95464	6.4
178.88458	5.9
179.89218	34.3
180.90036	23.8
181.90848	1.4
194.88007	2.0
196.89493	49.8
197.89534	2.2
204.89967	2.4
205.90782	5.5
206.91562	2.5
208.89542	2.4
212.89070	1.0
218.91591	1.8
221.90265	2.3
224.07007	1.3
225.00822	3.9
234.91020	2.2
235.91840	13.8
236.92622	28.8
237.93135	1.8
245.04085	1.2
252.92081	3.5
253.93062	2.3
270.93201	2.7
276.95795	2.7
278.93643	4.5
281.24850	3.7
282.25208	2.2
292.95334	2.3
309.95432	1.8
310.96307	7.8
326.95685	1.3
473.14169	5.5
490.14462	3.6
506.32623	1.6
515.15063	1.5
533.16144	4.3
545.16278	4.9
563.17419	5.5
581.18262	63.1
581.29919	21.5
582.18732	7.4
609.40558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78253	0.4
57.90340	0.4
59.01381	16.8
61.98520	0.5
61.98835	6.9
63.99230	0.6
71.40670	0.5
78.95906	19.8
78.98582	0.4
79.95732	0.5
80.96516	4.1
81.09262	0.4
86.20448	0.4
94.98077	0.9
102.33796	0.4
115.92112	0.5
137.66994	0.4
148.99109	0.4
152.99632	3.1
155.23927	0.4
164.98560	0.7
168.04367	3.3
224.06915	8.9
225.00699	0.4
242.08002	2.0
259.22208	0.4
281.24854	100.0
282.25180	8.0
291.81039	0.4
506.32504	59.0
507.32825	6.1
551.27167	0.5
580.28754	6.5
581.28577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03453	0.5
57.11876	0.3
59.01384	5.1
60.01710	0.4
61.98836	100.0
62.98169	0.3
63.99273	0.4
67.01865	0.3
67.27437	0.3
71.01389	3.1
71.63442	0.3
72.01692	0.3
72.99321	0.4
73.02946	1.8
75.00880	0.6
77.02117	0.3
83.01408	0.6
85.02964	0.9
87.00909	0.5
88.98841	0.7
89.02444	1.7
91.31805	0.3
95.01379	0.3
97.02931	0.3
101.02454	3.6
101.03070	0.3
102.02828	0.7
103.04029	1.0
113.02441	0.5
118.27502	0.2
119.03520	0.7
125.02484	1.1
131.03494	0.3
137.02512	0.3
141.09270	0.3
143.03522	0.7
149.99706	0.4
161.04601	0.5
163.06137	4.6
164.06496	1.5
168.00729	0.3
191.76195	0.3
193.38586	0.3
205.05486	0.4
205.07062	1.3
206.07553	0.3
209.11896	0.4
229.43159	0.3
232.15106	0.3
243.17081	0.3
261.85342	0.3
265.09378	0.3
374.22586	0.6
459.82904	0.3
520.28528	1.5
521.27844	0.3
580.21198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.9
61.98829	5.9
63.99255	0.6
69.75833	0.4
71.01379	1.2
71.92339	0.4
78.95912	5.2
78.98603	0.5
79.95735	1.8
80.96517	9.1
81.32731	0.4
81.96457	0.4
82.95333	0.4
82.96081	0.7
87.00859	0.4
94.98078	2.5
97.02922	0.4
98.19871	1.2
106.98039	0.5
122.97556	1.1
126.71389	0.4
133.25586	0.4
134.97551	0.5
136.99110	0.4
148.99171	0.8
152.98552	0.7
152.99626	1.4
164.98622	1.6
168.04300	1.8
168.13667	0.5
179.89073	0.5
189.13953	0.4
201.18646	0.5
206.99588	0.7
224.06853	0.8
225.00687	1.8
226.01047	0.5
242.07990	2.0
281.24860	100.0
282.25195	6.1
502.51257	0.5
506.32504	29.0
507.32922	3.5
580.28821	16.2
581.28369	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
61.98831	100.0
65.00319	0.5
71.01391	1.3
71.62591	0.3
72.99335	0.2
73.02944	0.3
83.01382	0.4
85.02940	0.3
85.44279	0.2
87.00882	0.3
87.03302	0.2
89.02416	1.0
101.02451	1.0
107.01403	0.6
109.02970	0.3
111.00964	0.2
113.02428	0.3
116.92891	0.5
119.05042	0.8
120.05384	0.5
125.02453	0.6
151.00375	1.8
152.00766	0.9
161.04514	0.3
163.06152	0.4
166.05066	0.2
168.00752	0.3
169.27000	0.2
191.07199	0.2
199.95604	0.2
271.06046	0.9
272.06528	0.9
306.56339	0.2
311.09369	0.5
341.13928	0.4
346.38785	0.3
404.02921	0.2
414.61328	0.3
492.09482	0.2
521.30353	0.3
580.16852	2.5
581.21991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01382	2.9
61.98830	100.0
63.99247	0.2
69.63905	1.4
71.01384	1.9
72.99299	0.3
73.02962	0.7
73.85062	0.2
75.00880	0.6
78.95918	0.2
82.63503	0.2
83.01405	0.4
85.02962	0.9
87.00897	0.7
88.98823	0.4
89.02451	0.9
95.01359	0.3
97.02966	0.4
98.19920	0.4
99.00889	0.2
99.22958	0.2
101.02443	1.6
111.00888	0.2
113.02428	0.6
114.45391	0.2
114.66366	0.2
116.92874	0.2
117.03541	0.3
119.03531	0.3
122.06786	0.2
122.18002	0.2
122.80719	0.2
123.04501	0.3
125.02486	0.8
132.02234	0.6
134.03738	1.3
135.04124	0.2
137.02454	0.4
143.03549	0.3
148.95363	0.2
149.02446	0.3
149.06148	0.3
149.99561	0.3
150.03221	0.6
152.01173	0.2
153.12856	0.7
160.01639	1.8
161.02055	0.7
161.04570	0.9
165.05557	0.8
168.00667	0.7
168.08411	0.2
175.03990	2.0
176.04295	0.9
178.02698	0.3
179.03442	0.2
179.05573	0.3
193.05069	1.3
194.05435	0.7
197.11824	0.6
205.05136	0.2
213.09160	0.3
223.05989	0.2
235.06139	0.3
255.03046	0.4
285.04077	0.8
287.22064	0.2
449.28137	0.3
520.32428	0.6
580.24677	3.2
581.23047	0.8
581.32867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01385	1.8
61.98833	100.0
66.80056	0.2
69.82834	1.3
71.01385	1.1
73.02964	0.2
74.42132	0.2
83.01400	0.2
88.81599	0.2
89.02465	0.6
97.02964	0.3
99.00862	0.2
101.02460	0.5
109.02963	1.1
110.03315	0.2
111.81060	0.2
113.02493	0.3
116.92840	1.7
117.70594	0.2
123.04545	0.8
125.02448	1.2
137.02478	0.7
138.02798	0.2
139.04010	0.3
141.33414	0.2
146.76216	0.2
149.04532	0.3
151.04028	0.4
165.01877	0.2
175.07770	0.2
187.03966	0.3
188.04631	0.2
203.07016	0.4
205.05066	0.2
227.16585	0.3
245.08182	0.5
246.08464	0.5
262.95615	0.2
289.07150	2.7
290.07477	2.5
359.11478	0.4
373.13074	0.7
404.14944	0.3
419.17014	1.6
486.53610	0.2
495.71552	0.2
509.67166	0.2
521.25983	1.0
580.14404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74371	0.2
57.03453	0.4
59.01389	2.5
60.99312	0.2
61.98836	100.0
63.99247	0.2
71.01395	1.2
71.63518	0.3
72.99316	0.3
73.02938	0.9
73.45146	0.2
75.00893	1.4
85.02961	0.5
86.34997	0.2
88.98848	0.3
89.02431	0.9
101.02464	1.7
103.04034	0.3
113.02489	0.4
119.03500	0.3
125.02468	0.3
131.03539	0.4
149.04636	0.3
150.03281	0.6
161.02254	0.2
161.04594	0.3
163.06151	0.9
164.06493	0.4
165.05603	1.4
166.05171	0.3
172.23953	0.2
193.05171	0.3
205.07411	0.2
281.53778	0.2
352.81183	0.2
375.27750	0.5
376.27972	0.3
520.25043	0.4
521.25922	0.4
580.24579	0.7
581.25079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47622	0.2
59.01377	0.8
59.52747	0.2
61.98834	100.0
74.27153	0.2
78.95918	0.6
80.96507	0.2
92.04078	0.2
98.19801	0.3
104.95827	0.2
137.24368	0.2
152.99672	0.3
185.23759	0.2
224.07031	0.2
255.49165	0.2
277.21744	1.3
278.22125	0.4
279.22412	0.3
280.22742	0.3
331.51544	0.2
502.29559	1.2
503.29904	0.3
504.29526	0.2
505.30585	0.5
579.27106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71804	0.5
55.01867	0.7
55.24343	0.5
57.03444	1.0
59.01382	11.6
61.98830	100.0
63.99258	0.7
71.01382	7.3
71.01759	0.7
71.05020	0.8
71.52589	0.6
72.80534	0.5
72.99313	1.0
73.02964	2.8
83.01392	1.3
83.05064	0.8
85.02967	2.5
87.00885	1.3
87.04531	0.6
89.02441	4.3
95.01377	0.6
96.96023	0.6
97.02959	1.1
98.19852	1.3
101.02443	10.0
103.03936	0.5
105.01956	0.6
109.02963	1.1
110.62757	0.6
113.02467	2.4
119.03484	1.1
119.05054	0.6
121.02995	0.6
123.04541	0.7
124.01685	1.1
125.02470	3.9
131.03503	1.7
134.03687	0.7
137.02470	1.3
137.06123	0.5
143.03571	0.8
149.99606	1.5
161.04604	1.3
168.00665	2.5
169.01376	0.5
185.11813	1.1
194.84453	0.6
199.13438	1.7
205.05159	0.5
255.10297	1.6
262.04385	0.5
300.02545	0.5
309.24426	1.6
311.26068	0.9
327.25415	4.0
339.25363	13.5
340.25607	1.1
357.26453	48.9
358.26828	4.1
358.74786	0.5
371.28186	2.1
373.22437	0.9
399.27530	3.3
417.25217	0.6
433.28098	1.3
509.16367	1.2
517.17297	0.7
519.32336	1.5
579.21710	2.9
579.34662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03447	2.9
58.00580	3.0
59.01379	79.2
61.98831	51.6
64.06571	1.0
69.03456	1.4
69.42569	9.5
71.01382	45.9
71.43560	1.0
72.99311	8.4
73.02953	32.7
75.00876	10.3
76.27452	1.0
83.01392	8.7
85.02950	23.5
87.00891	7.4
87.04510	2.4
88.98805	3.5
89.02446	27.4
90.98602	1.1
95.01408	3.0
97.02935	2.3
98.19897	2.3
99.00887	3.9
101.02445	80.5
103.04005	22.2
109.02981	1.2
113.02455	15.0
115.04019	4.1
115.48531	1.1
119.03509	12.7
120.75497	1.0
124.01631	1.8
125.02453	7.4
127.03977	2.2
129.01939	1.6
131.03500	7.7
137.02385	1.3
143.03510	13.0
145.05101	5.8
149.99582	1.9
153.01917	1.2
159.03027	1.9
161.04543	6.9
163.06125	100.0
164.06433	3.4
168.00607	4.3
179.05592	1.3
205.07182	25.6
211.17087	2.2
265.09235	10.9
271.45789	1.1
307.10242	1.5
325.11514	2.8
373.22281	19.8
375.27536	1.7
382.13467	1.1
519.28064	48.8
520.28113	5.6
550.21185	1.8
579.20514	9.6
579.29034	1.9
580.21710	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	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71788	0.4
59.01374	2.1
60.43626	0.3
61.98840	2.5
63.96236	1.4
64.96979	0.4
69.03444	0.9
69.36701	2.2
69.37131	1.5
71.01386	7.1
72.99321	0.6
73.02945	2.1
78.98598	5.6
79.95274	0.4
79.95743	9.1
80.96522	64.6
81.03470	0.8
85.02963	2.1
87.00874	3.0
91.64155	0.4
94.98093	15.5
95.01433	0.6
96.96027	1.1
97.02975	1.2
99.00903	0.5
100.41373	0.3
101.02432	2.1
106.48873	0.4
106.98100	2.5
107.09958	0.4
113.02473	0.4
113.78831	0.4
122.97588	4.7
125.02434	2.5
127.04078	0.6
134.97586	4.3
136.99164	1.4
148.99158	4.9
152.98648	6.0
164.98637	11.6
182.99690	2.1
188.98611	0.6
206.99693	3.2
218.47069	0.3
225.00742	14.4
243.01830	1.1
276.68436	0.4
278.05191	0.4
278.99103	0.4
279.23318	2.6
280.23544	0.4
281.24854	4.5
286.52039	0.5
299.04373	2.7
506.32465	0.7
530.81287	0.5
579.28442	100.0
580.28833	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86762	0.5
57.03454	0.6
59.01376	4.1
61.98832	2.9
63.96229	1.3
69.03444	0.7
71.01383	6.2
71.39898	1.0
72.03008	0.4
73.02950	1.6
77.36514	0.5
78.95908	1.9
78.98600	4.8
79.95740	9.6
80.96519	62.8
81.03430	0.6
83.01415	0.5
85.02968	3.4
87.00890	2.2
94.98086	15.1
96.96004	1.0
97.02965	1.5
99.08157	0.4
101.02434	2.3
106.98074	2.3
113.02425	0.5
122.97581	2.9
125.02451	2.7
127.03996	0.7
134.97600	4.4
136.99133	1.5
148.99158	6.1
152.94841	0.4
152.98628	4.3
164.98622	10.9
167.00201	0.8
168.04311	0.5
170.78191	0.4
206.99648	1.8
224.06970	1.0
225.00725	12.6
238.28859	0.5
260.57260	0.5
279.23279	2.0
281.24826	10.1
296.45190	0.4
299.04446	2.5
317.05579	0.5
325.48785	0.5
506.32553	7.3
506.39349	0.8
579.28418	100.0
580.28802	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	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03447	7.0
59.01381	46.4
61.98826	16.9
69.03472	3.9
69.56164	12.1
69.56570	6.2
71.01382	54.7
72.99316	4.2
73.02931	13.5
75.00877	7.8
81.03453	4.4
83.01381	5.0
85.02940	14.5
87.00872	3.1
89.02446	41.0
93.03455	3.3
97.02950	2.5
98.19882	5.3
99.00852	4.9
99.04539	2.7
101.02449	29.6
109.02930	8.2
113.02481	14.0
119.03569	3.1
119.05038	13.7
125.02436	25.0
131.01398	3.9
131.03477	6.5
137.02470	12.4
137.09683	2.9
138.06888	11.6
143.03465	2.8
147.63388	2.6
149.02451	5.7
149.04539	8.6
151.00308	2.7
151.03978	3.5
152.01195	2.7
153.01961	3.1
153.09206	36.0
154.09604	2.2
161.04539	11.9
165.01888	2.3
167.03482	3.3
175.00417	11.7
191.05646	2.4
193.01463	2.6
195.06572	2.6
203.07097	3.3
207.13947	2.8
225.14935	52.5
226.15266	4.4
233.06519	4.1
245.08290	4.3
247.40768	2.2
271.06104	5.1
274.92538	2.7
283.02457	2.8
289.07190	21.7
290.07547	3.4
293.08707	9.2
295.06030	16.5
313.07233	17.1
343.08304	6.4
387.15674	3.6
387.20245	34.5
388.21011	3.4
415.10333	4.1
459.12869	8.4
519.24469	100.0
520.25110	12.5
579.16742	16.2
580.17419	4.2
602.49841	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	579.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76630	1.3
55.01865	1.5
57.03441	2.2
58.00591	2.2
59.01381	100.0
61.98831	69.6
62.60911	1.3
65.48000	1.1
69.39905	9.3
71.01382	36.7
72.99325	2.5
73.02946	25.2
75.00864	15.5
77.20329	1.1
83.01383	8.0
85.02966	14.3
87.00883	5.5
88.98817	1.5
89.02445	18.3
95.01400	3.1
96.42849	1.2
97.02956	1.8
98.20638	2.9
99.00884	5.2
99.04506	1.4
101.02443	57.5
102.02794	1.4
103.04017	13.6
109.02999	2.2
113.02434	9.7
115.03993	3.7
119.03478	9.8
123.04509	1.4
125.02455	8.9
127.04031	2.3
129.90636	1.3
131.03500	9.0
137.02444	2.9
143.03516	5.1
145.05067	4.2
149.04503	1.3
161.04533	4.2
163.06129	46.4
168.00534	1.4
181.41553	1.2
205.05247	2.0
205.07159	16.1
247.08170	1.9
257.04666	1.9
265.09192	4.1
331.17667	2.1
357.26709	1.9
373.18637	6.7
375.27478	10.7
376.27863	1.3
379.11841	1.3
412.15668	1.4
441.08279	4.5
459.22299	17.0
460.22415	1.4
477.23352	16.5
478.23587	1.8
519.24335	19.5
519.31195	2.1
520.24725	2.8
579.21887	4.1
579.32605	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62021	0.6
56.04102	0.5
57.03444	4.6
58.03762	0.7
59.01376	1.9
61.98829	2.8
71.01392	3.7
73.02942	1.3
75.00829	0.6
75.52203	0.5
81.03447	2.3
83.01393	1.8
83.98704	0.5
85.02956	3.8
87.00885	1.0
88.98798	0.6
89.02400	0.7
93.03511	1.4
95.01379	2.1
97.02940	0.7
101.02451	2.8
108.02176	51.5
109.02964	34.4
110.03322	1.7
111.04552	0.6
113.02365	1.3
116.92852	0.6
121.02945	1.5
123.00899	1.4
123.04537	4.0
123.08152	1.7
124.04867	0.6
125.02448	21.3
126.02796	7.5
127.02901	2.8
128.18938	0.6
134.03241	0.7
135.00934	0.7
135.04544	1.0
137.02472	4.9
138.02786	1.4
139.03992	0.7
149.02451	1.3
150.02769	0.6
151.04051	3.7
152.01158	56.9
153.01956	18.8
159.04413	0.6
161.02490	4.0
161.04620	1.0
161.06088	0.6
162.02869	2.3
163.04076	1.3
164.01030	0.5
165.01909	2.2
171.11810	1.2
175.04024	1.5
177.01924	0.6
179.03543	0.8
187.04018	1.3
188.04501	0.7
189.09227	1.3
203.07138	1.6
205.05003	1.0
205.07501	0.9
206.05537	0.7
229.58020	0.7
237.15022	1.9
245.04590	0.6
245.08121	1.3
246.08611	0.9
247.08632	0.7
249.21913	0.5
255.02954	0.8
256.03418	0.8
257.04102	0.8
273.04068	1.1
274.04419	1.1
281.13925	1.6
285.04059	0.9
289.07211	6.0
290.07526	6.5
291.07721	6.1
300.05975	0.7
315.07187	11.6
341.09369	0.6
407.07809	2.3
408.08087	4.1
409.08395	8.0
410.08777	1.0
426.09265	1.3
427.09369	3.4
452.10550	0.8
453.10739	2.6
517.28308	0.6
519.24677	1.9
579.20868	100.0
580.21191	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	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18272	1.2
55.01868	1.5
57.03433	2.5
59.01379	17.0
61.66982	1.0
61.98829	11.8
69.26918	9.0
69.27340	2.9
70.44795	1.4
71.01384	26.7
72.99297	3.6
73.02945	11.0
75.00874	1.4
83.01377	4.5
85.02943	12.7
87.00866	3.7
89.02451	6.3
95.01341	1.7
99.00863	6.5
101.02441	23.2
107.13488	1.2
108.02164	9.1
109.02995	6.5
113.02449	11.5
115.03923	1.7
116.92847	2.2
125.02451	3.5
131.03496	2.0
135.04555	1.3
143.03423	1.4
149.02577	1.6
152.01161	8.4
153.01851	2.1
159.02983	1.2
161.04562	9.2
169.52017	1.4
177.81735	1.1
201.92651	1.3
218.99870	1.1
233.06784	2.3
255.02934	1.5
315.10693	1.3
334.98169	1.3
387.20267	10.7
417.16180	1.5
456.48877	1.2
519.24420	100.0
520.24701	10.8
550.18732	1.5
579.13373	1.8
579.20825	15.3
580.20905	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
59.11535	0.4
61.98834	100.0
63.01641	0.3
65.01921	0.4
68.07832	0.3
70.06485	0.7
70.06893	1.3
71.01385	0.9
73.20849	0.3
78.95927	0.4
78.98620	0.5
79.95758	1.3
80.96519	7.7
85.02972	0.4
87.01757	0.3
94.98104	1.5
98.19917	0.4
101.02487	0.5
106.98053	0.3
119.10084	0.3
122.97584	0.5
125.02545	0.3
134.97614	0.3
148.99150	0.6
152.98697	0.8
164.98677	1.6
225.00833	1.3
279.23523	0.5
281.24185	0.5
426.84259	0.3
578.22156	0.3
579.28394	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	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11159	0.5
55.86212	0.5
59.01383	19.9
61.98822	2.3
71.01386	1.3
71.40570	0.7
73.02969	0.7
78.95907	19.6
79.95731	1.0
80.96517	8.4
82.96101	0.8
94.98078	1.9
101.02411	0.5
106.03995	0.5
109.67975	0.5
118.75956	0.5
122.98554	0.8
134.97639	0.5
152.99640	2.7
158.40215	0.5
164.98672	0.8
165.98778	0.5
168.04276	4.0
224.06917	7.7
225.00754	1.5
242.07983	1.4
247.81168	0.5
261.22012	0.5
279.23282	100.0
280.23657	8.5
347.36835	0.5
504.30963	67.9
505.31308	7.6
578.27191	13.8
579.27191	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.6
61.98817	2.7
63.34454	0.7
68.80652	0.9
71.01382	2.3
83.26993	0.8
85.86338	0.8
89.02466	1.5
98.19822	1.4
101.02441	3.3
107.34895	0.8
119.03445	0.7
131.59972	0.8
138.03148	0.9
153.81555	0.8
187.77171	0.7
200.72803	0.8
229.59782	1.0
235.08157	2.0
253.09297	10.8
281.24875	100.0
282.25168	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	577.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.9
59.01384	26.4
59.59977	0.6
61.98829	5.7
69.76421	2.3
69.76826	1.2
71.01380	15.2
72.99307	2.1
73.02953	3.4
75.00890	0.8
83.01401	0.7
85.02962	3.6
87.00866	1.3
89.02453	8.9
95.01366	1.8
99.92579	0.7
101.02444	9.0
107.05048	0.7
108.02176	2.5
109.02946	1.3
110.62002	0.7
113.02454	7.0
119.03525	3.0
123.04535	2.5
125.02351	0.6
134.03775	1.0
135.04527	35.6
136.04898	1.3
140.54062	0.6
152.01180	1.3
153.05624	1.5
161.04523	1.1
179.05611	0.8
210.00493	0.6
235.08217	1.5
253.09305	12.4
257.51199	0.7
275.23825	0.9
279.23303	11.3
280.23672	0.7
281.24866	100.0
282.25256	5.8
293.24884	6.6
297.09799	21.3
298.10083	1.3
315.10867	33.5
316.11215	1.9
321.24551	1.3
577.34039	13.5
578.34027	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98835	100.0
69.40011	2.0
71.01385	0.7
73.02951	0.5
81.39472	0.2
98.19864	0.3
101.02469	0.9
110.50479	0.2
111.30569	0.2
113.02467	0.5
125.02479	0.4
148.04115	0.3
160.03989	0.3
163.06139	0.5
164.06473	0.3
166.05127	0.4
168.85931	0.2
182.86198	0.2
203.11008	0.2
210.04077	0.4
214.12395	0.2
229.15862	0.2
255.32083	0.2
338.27014	0.3
387.20459	0.3
417.15991	0.6
519.24432	1.4
579.13770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79150	0.3
57.03449	0.4
59.01372	3.0
61.98831	100.0
69.03452	0.3
70.32010	1.2
71.01391	2.0
73.02931	0.6
74.47320	0.3
85.02945	0.5
89.02454	1.3
96.39533	0.3
101.02454	1.2
103.04827	0.3
105.26760	0.3
107.86773	0.3
109.02966	0.3
113.02425	0.5
116.92878	1.2
123.04554	0.4
125.02438	0.9
137.02428	0.5
147.33926	0.3
161.04477	0.4
167.03537	0.3
180.98692	0.3
189.18236	0.3
226.52351	0.3
229.71797	0.3
389.98080	0.3
479.43280	0.3
578.29370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
61.98836	100.0
62.98539	0.3
69.93418	0.9
71.01395	0.3
107.19453	0.3
152.61243	0.3
186.37326	0.3
219.69225	0.3
249.88878	0.2
285.04105	0.7
286.04556	0.3
294.04990	0.3
296.43878	0.3
431.10312	0.3
456.56198	0.3
536.84521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95811	0.3
57.03455	1.8
58.00581	0.4
59.01381	9.7
61.98837	100.0
71.01393	6.9
71.63234	0.6
72.99332	0.5
73.02962	2.1
75.00879	0.8
77.34176	0.3
83.01383	0.6
85.02974	1.2
87.00888	0.7
88.98847	0.8
89.02456	8.1
95.01405	0.3
97.02973	0.4
99.00899	2.3
99.04513	2.0
101.02454	5.7
113.02464	2.5
116.92866	0.7
119.03531	1.5
119.04982	0.4
123.04630	0.3
125.02471	2.5
131.03542	1.6
137.02475	1.0
139.96489	0.3
143.03549	0.4
149.02472	0.4
149.04565	3.1
149.99620	0.5
151.04121	0.5
156.87761	0.3
161.02405	0.3
161.04604	0.9
168.00664	0.7
179.05669	0.8
191.05632	0.8
201.46774	0.3
233.06625	0.7
285.03955	0.7
286.04431	0.5
315.18356	0.4
371.20673	0.6
447.22357	6.6
515.28949	0.7
518.14746	2.7
518.27405	0.9
532.16315	0.7
563.18066	1.8
578.20465	7.9
578.28375	0.6
579.19238	0.6
579.27502	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	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53859	0.5
59.01372	0.6
61.98833	100.0
63.96237	0.4
65.64359	0.4
69.43942	2.6
71.01386	2.2
78.98609	1.4
79.95740	2.8
80.96519	17.8
85.02971	0.9
87.00897	0.5
94.98091	3.8
97.02986	0.6
100.10420	0.4
100.32121	0.5
101.02477	0.7
106.98095	0.6
116.04658	0.5
122.97578	1.1
125.02448	1.5
134.97557	1.1
148.99152	1.1
152.98637	2.2
157.90233	0.4
164.98619	2.6
206.99686	0.6
225.00735	4.8
279.23364	1.9
280.23584	1.2
445.46622	0.5
579.28394	32.1
599.00812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
58.00587	2.2
59.01384	89.0
60.01732	1.4
60.56017	1.2
61.98834	64.3
62.74341	1.2
64.63402	1.2
67.47124	1.1
69.03455	4.1
69.42087	2.7
69.42495	8.0
71.01389	40.4
72.99323	5.9
73.02956	29.6
74.33083	1.2
75.00872	2.0
81.03424	1.3
83.01397	5.2
85.02956	17.9
86.00106	1.3
86.05167	1.3
87.00900	8.4
87.04511	3.5
88.98795	1.9
89.02452	27.3
95.01392	3.2
96.96027	1.3
97.02979	2.8
99.00900	2.4
99.04513	4.9
101.02451	63.7
102.02766	1.8
103.04013	22.5
109.02961	1.6
113.02448	6.0
115.04034	5.8
119.03510	11.2
123.00902	2.6
124.01647	6.7
125.02467	27.3
127.03999	3.4
131.03506	9.9
137.02480	2.9
143.03493	13.0
145.05070	7.1
149.99593	9.1
161.02505	1.5
161.04532	4.0
163.06129	100.0
164.06381	1.5
165.12802	3.1
168.00645	20.0
169.01393	1.7
191.14352	3.8
205.05223	1.8
205.07178	27.8
206.47876	1.2
265.09302	9.6
285.03995	1.4
307.10379	1.6
331.06451	1.5
371.20914	6.3
373.25784	1.5
515.25317	2.5
517.26276	19.3
577.19312	38.7
577.27686	1.8
578.20050	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	577.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03446	3.8
57.91154	1.4
58.00573	1.4
59.01379	77.5
61.98831	69.7
69.03475	2.5
69.37528	11.8
69.72633	1.4
71.01384	37.6
72.99310	4.5
73.02948	31.5
75.00908	2.1
75.42070	1.2
79.95747	2.7
83.01382	6.2
85.02950	18.3
87.00893	6.7
87.04513	1.8
88.98817	4.0
89.02439	29.0
95.01349	1.9
96.96018	13.3
97.02960	3.4
99.00884	2.8
99.04514	1.6
101.02444	64.2
102.02792	1.4
103.04007	22.5
104.80938	1.1
109.02914	1.7
113.02431	6.7
115.04022	4.4
119.03499	13.8
122.03767	1.3
122.97597	6.1
125.02424	11.1
126.81395	1.2
131.03477	13.5
137.02423	3.5
143.03484	12.0
145.02950	2.8
145.05078	6.7
151.04015	1.5
161.04544	2.4
163.06120	100.0
164.06490	2.2
165.01921	4.5
165.12897	5.1
179.05711	1.4
191.14375	3.3
205.07159	22.5
227.03587	3.0
229.05132	2.0
231.06912	7.0
235.08304	1.8
255.03160	2.8
265.09308	7.0
273.56744	1.4
284.03180	2.9
285.04047	12.2
286.04156	1.5
289.07178	3.9
293.04544	1.8
307.10300	3.0
325.11478	3.0
371.20761	3.4
373.26028	5.2
407.07831	1.4
517.26080	13.1
577.13409	5.0
577.22845	40.5
578.23206	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	577.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35105	0.9
55.01888	3.1
57.03452	5.6
58.00608	1.3
59.01388	45.3
61.98838	81.2
63.86254	1.0
64.09245	0.9
65.51764	0.9
69.03465	1.3
69.34414	7.7
71.00990	2.0
71.01391	42.3
72.99316	1.9
73.02950	16.9
75.00885	2.7
83.01394	11.7
85.02961	20.8
85.03444	1.6
87.00874	3.5
87.04507	1.6
89.02452	9.3
93.03453	1.4
95.01410	3.4
96.96072	1.0
97.02956	4.4
99.00874	6.1
101.02457	36.9
103.04027	2.7
109.02988	3.5
113.02456	15.7
118.36401	0.9
119.03510	4.8
123.08207	1.4
125.02450	13.4
127.04077	1.0
131.03531	1.4
137.02461	1.7
139.06752	1.1
139.55505	1.0
141.98241	1.3
143.03514	3.1
145.05090	1.0
151.03981	1.2
152.04860	0.9
159.03027	2.7
161.02477	2.2
161.04582	18.6
163.06154	4.9
164.01080	1.1
165.01892	1.0
166.05128	1.1
168.00667	1.9
169.01538	1.1
172.80859	1.1
175.04010	1.6
179.05617	1.6
179.63499	0.9
185.12016	1.0
187.03909	1.1
191.03607	0.9
205.05223	1.1
205.07077	1.2
209.15511	3.3
213.05576	1.0
227.03490	1.0
229.05005	3.3
247.08279	1.9
255.02954	2.6
256.03619	1.6
268.03363	1.0
268.97849	5.6
283.06274	1.2
284.03293	1.4
285.00879	1.5
285.04053	21.3
286.04361	1.8
289.07132	3.7
311.05637	2.3
327.21796	1.4
330.74496	1.0
371.20712	27.0
372.21161	2.6
407.07498	1.6
413.08890	1.8
517.26520	100.0
518.26758	9.8
577.13312	1.7
577.28241	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	577.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27528	0.8
54.47787	0.9
55.01869	3.6
57.03442	3.9
58.00584	1.1
59.01384	47.1
61.98832	99.5
69.03445	1.9
69.30884	9.6
71.01383	46.9
71.83498	0.8
72.99306	2.8
73.02945	18.9
75.00867	2.7
83.01394	12.4
85.02952	19.9
85.60187	0.8
87.00870	3.5
88.98807	1.9
89.02448	10.9
95.01378	3.1
97.02944	3.2
99.00885	5.7
99.04531	1.0
101.02446	37.3
103.04011	3.4
108.02194	1.6
109.02928	2.1
109.92889	0.9
109.93740	0.9
113.02450	14.8
119.03477	4.4
123.04513	2.2
125.02470	8.6
125.09721	1.6
129.01871	1.2
137.02391	2.4
143.03494	2.0
145.05083	1.2
151.03922	1.4
152.01109	3.1
153.01993	1.1
153.05539	1.2
159.02988	3.0
161.04558	14.7
163.06097	6.7
165.01904	1.1
175.03987	1.7
179.05566	1.4
187.09715	3.4
190.06427	1.2
190.91441	1.0
205.05167	1.0
205.07039	1.6
219.31215	0.9
247.08255	1.4
289.07007	3.6
301.11136	1.1
307.10501	1.9
325.58658	1.0
371.20706	40.1
372.20941	3.2
385.09299	1.5
407.07578	1.6
415.14178	6.2
517.26514	100.0
518.27002	9.9
527.84412	1.1
577.18921	4.3
577.28491	4.9
578.28302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
61.98819	1.3
63.96249	1.6
70.04594	2.6
71.01390	7.4
73.02953	2.3
73.11936	0.4
78.03342	0.5
78.98590	6.7
79.95746	9.6
80.96523	71.1
81.03473	1.0
85.02954	3.5
87.00882	3.3
94.98091	18.8
96.95997	1.1
97.02969	2.0
101.02457	2.6
105.26201	0.5
106.98105	3.0
110.61166	0.5
113.02411	0.7
122.97586	5.3
125.02444	3.6
127.03988	0.9
132.88278	0.6
134.97588	5.2
136.99162	1.2
148.99170	6.1
152.98654	7.0
164.98630	11.3
167.00217	0.6
182.99702	2.3
206.99689	2.6
224.47723	0.5
225.00739	16.0
243.01823	1.8
277.21750	2.1
279.23267	7.8
299.04474	2.6
321.40475	0.5
442.65439	0.6
504.31296	1.3
577.26892	100.0
578.27246	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40725	0.4
52.79139	0.4
59.01384	5.3
61.98823	2.0
63.96239	1.0
69.03478	0.5
71.01382	6.3
71.29552	0.4
71.41115	1.0
71.56180	0.5
73.02946	1.7
78.95898	5.0
78.98597	5.7
79.74274	0.4
79.95738	10.7
80.68981	0.5
80.96516	65.5
81.03452	0.8
85.02944	2.9
85.98766	0.4
87.00871	2.5
94.98087	14.4
96.96026	0.8
97.02953	1.6
99.00888	0.7
101.02427	2.3
106.98083	3.1
122.97598	3.6
125.02481	2.5
127.04021	1.1
134.97580	5.3
136.99152	1.1
142.47234	0.4
147.82182	0.4
148.99156	6.0
152.98630	4.1
152.99692	0.7
154.60768	0.4
164.98610	11.9
167.00175	0.6
168.04381	0.9
206.99643	2.2
224.06934	2.1
224.08838	0.5
225.00743	14.5
277.21689	1.6
279.23288	26.7
299.04422	3.7
334.58093	0.5
386.35281	0.5
504.30920	15.8
577.26831	100.0
578.27075	12.2
587.31854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.4
58.00592	1.1
59.01380	30.4
61.98846	9.9
67.01910	1.1
69.03451	2.1
70.22160	1.5
70.22504	4.2
71.01384	24.3
72.99313	1.6
73.02937	6.2
75.00877	18.8
81.03468	2.1
83.01388	5.3
85.02954	5.0
87.00874	4.7
88.98858	1.1
89.02444	36.0
89.05233	1.0
93.03468	1.4
95.01374	1.2
95.05014	2.3
96.98660	1.4
97.02946	4.0
98.20591	1.8
99.00880	8.7
101.02448	16.4
109.02956	16.9
111.00874	19.8
113.02452	5.1
115.04072	1.4
117.03436	1.5
119.03462	3.2
119.34457	1.1
121.02943	3.1
121.66238	1.1
123.04521	10.4
125.02444	100.0
126.02785	3.5
131.03525	9.6
133.02954	3.4
135.04536	2.9
137.02438	26.7
138.03084	1.0
139.04018	4.1
141.72662	1.1
143.03450	2.0
146.03731	1.2
147.04526	1.3
149.02460	4.9
149.04556	24.8
149.05794	1.7
151.03990	12.5
159.04495	3.4
161.02454	21.1
161.04529	3.5
161.06070	3.7
162.03114	1.8
163.00418	2.5
163.03992	3.3
164.01141	5.6
164.29683	1.3
165.01953	9.5
165.05507	1.5
167.03465	4.1
173.00844	3.9
173.02235	1.3
175.04047	9.2
177.01982	8.0
179.03484	6.1
179.05664	2.9
185.06010	1.4
187.03967	5.5
188.04692	2.1
189.01825	1.2
191.05605	4.5
199.03992	1.3
201.05554	2.0
203.03554	2.4
203.07042	6.6
205.01491	2.6
205.05049	4.9
205.12325	5.0
212.04710	1.1
214.02702	1.3
215.03484	2.6
217.04951	2.9
219.06641	1.2
227.03493	1.5
227.07109	1.8
229.05107	2.4
243.03004	8.7
243.06648	1.4
244.03441	2.1
245.04543	5.0
245.08147	9.5
251.07684	2.5
255.03027	4.3
256.03702	2.2
257.04477	2.9
267.02722	1.6
269.04510	2.5
271.06113	2.0
273.04169	3.8
281.04434	2.1
283.02603	1.8
285.03915	1.7
287.05722	6.9
288.06149	1.4
289.07196	44.6
290.07562	3.2
293.04666	2.0
293.08765	2.9
299.05579	5.5
305.06674	15.8
329.06494	2.1
339.08636	2.0
365.06497	2.1
381.09860	2.2
391.04471	1.3
407.07748	29.2
408.07996	3.5
409.05481	3.1
423.07629	1.9
425.08871	10.4
426.09006	1.7
440.93610	1.3
451.10318	11.2
472.61060	1.2
517.22485	7.5
577.13251	7.4
577.21295	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	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.9
59.01382	16.1
61.98835	3.1
69.03473	1.9
71.01388	14.7
71.49234	1.0
72.99319	1.6
73.02943	3.6
75.00886	3.3
81.03459	2.6
83.01385	5.4
85.02952	4.7
85.06598	10.1
87.00873	2.6
89.02450	19.8
93.03465	2.0
95.01395	1.4
95.05033	1.6
96.96044	1.6
97.02969	6.0
99.00877	5.6
99.04516	1.0
101.02439	12.6
102.09570	0.9
108.02213	1.6
109.02965	17.8
111.00898	12.7
113.02467	3.4
119.03503	1.4
121.02956	3.2
122.03644	2.3
123.04538	12.3
125.02449	100.0
126.02802	3.9
129.05630	1.3
131.03481	4.4
133.02959	3.2
135.04524	2.0
137.02443	23.2
139.04079	2.8
145.02957	1.4
149.02509	6.3
149.04559	11.0
150.03134	1.3
151.04015	13.8
152.01237	1.6
152.04401	1.2
159.04503	2.3
161.02455	23.6
161.04541	2.6
161.06073	3.2
162.03035	2.6
163.00377	3.3
163.04048	3.3
164.01138	4.3
165.01907	6.9
165.05524	1.8
167.03511	2.9
173.00830	1.3
173.06032	1.6
175.03954	6.2
176.04286	1.1
177.01950	6.0
177.05524	1.3
179.03491	7.8
179.05745	1.0
184.58801	1.1
187.03970	6.0
188.04774	2.8
191.03549	1.7
191.05611	3.3
199.07623	1.1
200.16951	1.0
201.05597	3.1
202.06288	1.3
203.03778	1.5
203.07150	6.8
205.01341	1.3
205.05019	4.9
205.12453	1.5
207.02972	3.1
215.03566	1.3
215.07222	1.1
217.05020	1.4
219.03143	1.1
221.08313	1.5
227.03592	1.4
227.07085	1.3
229.04994	2.3
231.06564	1.2
241.04791	1.5
243.02940	4.1
243.06609	1.8
245.04587	14.6
245.08148	9.2
255.03020	5.3
256.03757	2.2
257.04276	1.3
269.04504	2.0
273.03989	2.9
281.04617	1.7
282.08289	1.1
283.02350	1.1
283.06097	1.3
286.04474	1.4
287.05688	8.2
289.07184	47.0
290.07645	5.6
293.08908	1.5
299.05573	4.6
305.06854	1.3
329.06711	3.0
330.07245	3.4
331.08224	2.9
339.08704	2.2
381.10104	1.7
407.02676	2.2
407.07669	27.6
408.08109	2.0
423.10574	1.7
425.08728	12.9
426.08966	1.3
451.10519	10.7
467.09860	2.6
491.19086	2.4
517.22772	5.1
539.21545	2.9
559.12439	3.4
577.13910	7.7
577.28754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.156
Annotation	vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
51.31064	1.0
55.61674	0.8
57.41061	0.8
58.00586	1.3
59.01381	22.4
67.53339	0.8
69.53476	3.1
69.53904	3.0
71.01386	5.4
72.99298	1.1
73.02956	1.8
75.00837	1.1
77.54770	0.9
85.02941	2.8
89.02439	2.6
98.62486	0.9
101.02442	1.5
106.57734	1.0
117.03457	8.7
125.02468	4.8
131.01392	1.6
137.02425	1.5
149.02425	1.8
151.03992	1.2
161.02455	2.1
163.04037	1.1
173.02435	3.7
175.00378	8.7
175.04005	0.9
194.05803	1.5
209.08270	2.7
212.49718	1.0
269.04498	5.6
281.04611	5.2
282.05295	4.3
283.06113	6.4
287.05258	0.9
289.07108	1.9
293.04547	100.0
294.04840	5.8
295.06116	3.5
305.40646	1.0
311.05551	11.9
314.04230	2.8
323.05716	5.9
335.05679	1.6
341.03070	0.9
341.06509	5.7
353.06595	2.0
407.07849	1.4
413.08759	43.8
414.08978	4.1
425.08365	1.4
457.11288	3.9
577.15613	54.0
578.15576	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	577.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09686	0.5
57.03449	1.8
59.01377	9.1
61.98830	13.3
66.91348	0.5
67.69773	0.6
69.54769	0.6
71.01381	7.7
72.99303	1.0
73.02943	2.1
73.39520	0.6
75.00881	1.6
76.63963	0.5
81.03464	1.5
83.01386	1.6
83.05009	0.6
85.02949	3.5
87.00890	0.7
89.02435	3.6
93.03470	1.8
94.18069	0.5
95.01379	1.5
97.02950	1.6
98.19894	1.4
99.00854	1.3
99.04517	0.6
101.02441	4.9
103.04031	0.6
107.05003	0.6
108.02179	43.6
109.02963	23.9
111.04489	1.2
113.02449	2.8
119.03503	1.3
121.02924	1.4
121.06577	1.2
122.03737	2.7
123.00912	1.1
123.04545	2.2
123.40422	0.6
125.02460	4.1
133.03041	0.7
135.00963	0.7
135.04517	1.5
136.05252	0.8
137.02451	2.4
137.06053	1.0
139.07635	0.8
143.03426	0.7
149.02377	1.0
149.06070	0.9
151.03967	1.6
152.01154	49.8
153.01941	18.2
154.02347	0.5
154.16870	0.5
161.02419	1.3
161.04588	1.1
162.03197	0.6
163.04010	1.8
165.01913	1.5
179.05579	0.8
187.11293	2.4
189.09360	0.9
205.12335	2.3
231.10243	2.2
261.11154	0.9
269.04575	0.8
289.07123	2.9
293.04681	1.8
297.06049	0.9
315.07233	12.0
371.20712	1.5
407.07883	1.2
413.08725	1.2
415.23120	0.6
417.09460	0.7
425.08859	0.7
517.26331	3.9
577.19275	100.0
578.19495	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03451	4.6
58.00594	1.9
59.01385	34.7
61.98836	100.0
66.11414	0.7
69.03471	2.4
71.01391	29.3
71.63222	1.5
72.60616	0.8
72.99316	18.4
73.02947	9.2
75.00897	3.9
80.63284	0.8
81.03482	2.0
83.01401	12.5
85.02966	11.7
87.00894	3.3
88.98819	1.5
89.02456	18.9
93.03472	3.3
95.01398	3.6
95.05043	2.9
97.02966	7.6
99.00912	2.4
99.04554	2.1
101.02457	26.5
102.02786	1.4
103.04047	2.5
107.05025	1.5
108.02213	2.1
109.02972	6.6
111.00916	1.0
111.04528	1.0
113.02453	10.9
115.03958	0.8
119.03503	5.9
120.02200	0.8
121.02975	3.4
123.00861	1.2
123.04557	1.6
125.02460	12.6
131.03534	2.2
135.04561	2.2
137.02457	42.8
138.02919	1.1
139.04022	3.0
143.03517	3.4
149.02513	1.7
149.04575	1.6
151.04021	4.8
152.01123	2.0
153.01961	1.6
153.05583	1.7
156.05792	1.6
157.06566	0.9
159.02977	1.1
161.02448	2.0
161.04573	8.8
163.00371	1.0
163.06125	5.2
164.01198	8.2
164.06517	0.9
165.01947	17.7
167.03534	8.8
169.06572	1.1
171.04602	2.3
173.06088	0.9
175.00357	0.9
177.01903	1.5
179.03525	14.1
179.05624	3.1
180.03833	1.0
181.05083	1.7
183.04601	1.0
184.05368	1.0
185.06128	3.3
187.04071	0.8
190.54446	0.8
198.03162	1.1
199.04054	6.1
205.05185	0.9
205.07043	1.4
211.04060	4.3
212.04704	1.4
213.05563	5.7
215.07153	1.4
225.02037	0.8
225.05519	1.3
227.03537	4.8
231.06532	1.3
237.05536	1.2
238.02705	1.1
239.03549	4.6
240.03992	1.1
241.05064	7.7
243.06599	7.6
245.08101	0.9
250.06400	0.8
251.07231	1.3
253.05099	1.5
257.04239	1.0
259.06149	6.8
263.07297	1.0
265.08792	1.3
267.03201	0.9
267.06747	0.8
268.03979	1.0
269.04538	5.7
271.06146	6.2
277.05121	1.0
279.06671	1.8
281.04797	1.1
285.04233	1.1
289.07153	3.7
291.06534	1.7
293.04611	3.6
293.08212	2.7
295.06149	1.4
297.07535	0.9
301.07455	1.3
311.09055	1.2
317.08130	0.9
319.06119	1.5
321.07727	2.7
333.07892	1.0
335.09344	1.5
347.05762	0.8
361.07397	2.0
363.08841	2.3
365.06693	3.0
371.20764	4.0
373.10748	1.1
373.26074	0.9
379.08069	1.2
393.09982	1.5
397.09326	0.9
405.06396	1.5
407.07739	16.0
408.08133	1.1
409.09305	1.0
413.08731	1.4
415.12039	1.0
415.23807	4.2
417.09683	1.7
436.59109	0.9
439.10306	4.8
451.10181	1.6
459.11011	0.9
461.08713	2.6
501.11795	4.7
503.25098	0.9
517.26447	13.2
527.09406	3.7
545.10919	27.8
546.11310	3.5
559.12036	1.2
577.13007	16.4
577.28241	12.9
578.14331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06813	0.4
57.79318	0.5
59.01405	0.6
59.91487	0.4
60.44104	0.4
61.98835	1.1
63.02400	1.3
65.00323	1.2
70.38834	0.9
70.39198	1.0
72.22739	0.5
76.83767	0.4
83.01379	1.1
93.03461	1.5
104.46310	0.4
107.01381	3.1
109.02953	1.1
113.17619	0.4
117.03481	4.3
118.87952	0.4
119.05025	12.9
132.02164	0.7
135.00887	1.9
139.55647	0.4
142.11638	0.4
143.05005	0.9
145.01843	1.0
145.02954	15.4
151.00346	4.8
153.01866	0.5
154.04266	0.7
159.04483	1.2
161.64427	0.5
163.00377	2.0
163.04015	6.8
164.01208	0.6
167.05096	0.7
169.01485	0.8
169.06554	0.8
171.04503	1.3
178.99808	0.5
183.04515	1.2
185.06093	2.7
187.03999	3.7
189.05609	1.3
190.99864	0.5
195.04655	0.6
197.06133	0.8
199.04019	0.9
200.04625	0.4
201.05629	0.5
211.03978	2.6
212.15417	0.5
213.05528	2.6
214.02606	0.4
214.05949	0.4
214.55551	0.4
223.03979	0.4
227.03494	24.1
228.03886	1.6
229.05064	11.0
239.03528	1.7
241.05075	1.8
255.02975	41.0
256.03644	4.9
257.04520	6.6
267.02869	1.3
284.03275	45.3
285.04041	100.0
286.04382	5.5
291.08673	5.3
348.82724	0.5
413.08490	0.7
431.09811	1.3
577.13501	56.9
578.13861	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85841	0.3
59.01388	0.3
61.98839	1.2
63.02404	0.8
65.00336	0.3
73.87565	0.3
83.01418	0.4
91.01920	0.7
93.03452	2.0
103.06334	0.3
107.01376	1.7
108.02196	0.4
109.02946	0.7
117.03451	1.4
117.95123	0.3
117.95950	0.3
119.05040	3.0
125.02499	0.3
131.05008	0.5
135.00917	1.5
141.07089	0.4
143.05045	0.7
145.02966	4.2
151.00377	1.2
154.04300	0.6
157.06606	0.9
159.04482	1.5
161.02412	0.3
163.00380	2.6
163.03996	1.7
167.05087	0.7
169.06592	1.1
171.04510	0.8
173.02448	0.4
183.04471	0.4
185.06082	2.8
187.04008	3.8
189.05594	0.9
195.04533	0.6
196.05299	0.4
197.06090	1.2
199.04033	0.8
201.05583	1.0
211.04044	2.2
212.04695	0.4
213.05556	1.9
214.02560	0.3
215.03497	0.4
227.03522	8.7
228.03896	0.5
229.05051	11.5
230.05286	0.4
239.03522	1.5
240.04269	1.1
241.05038	1.5
255.02986	11.9
256.03677	1.7
257.04517	7.3
258.04901	0.8
267.03009	1.0
283.02518	1.5
284.03250	11.0
285.04044	100.0
286.04361	6.3
289.43390	0.3
291.08804	1.1
333.33371	0.3
413.08673	1.1
431.09891	1.5
577.13458	14.2
578.13892	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	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	14.8
57.81499	1.0
61.49467	1.0
63.12025	1.5
63.24726	1.2
66.48771	1.0
70.23058	4.1
80.32788	1.1
81.03468	1.6
83.01375	3.6
85.03988	1.0
93.03454	1.3
97.02926	3.9
98.20572	2.3
109.02950	14.3
121.02943	3.4
122.03596	1.0
123.04539	11.8
125.02448	100.0
126.02763	2.0
133.02968	2.9
135.04562	1.6
137.02443	21.0
139.03981	2.5
145.02876	1.6
148.82045	1.1
149.02437	4.2
151.04013	11.3
159.04520	2.2
160.05281	1.7
161.02452	23.2
161.06059	2.5
163.00439	1.7
163.04012	2.2
164.01157	3.5
165.01877	4.1
175.04062	7.3
177.01877	3.7
179.03479	1.7
184.96280	1.0
187.04030	4.3
188.04791	2.4
190.02606	1.3
203.07135	7.9
205.05051	5.0
208.71323	1.1
227.03494	1.5
229.04982	2.4
245.04491	3.1
245.08197	9.2
247.06055	1.3
255.02994	5.6
256.03717	3.6
257.04416	1.9
273.03955	3.3
281.04568	1.3
285.04108	1.6
287.05386	7.2
289.07199	61.6
290.07452	2.3
299.05618	5.5
329.06561	2.2
339.08572	2.9
381.09698	2.4
407.07718	43.1
408.07999	4.5
425.08783	17.1
451.10431	8.9
577.13312	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	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01382	4.3
61.98832	12.9
63.02400	0.5
65.00333	0.7
71.62293	0.4
72.39133	0.2
73.02948	0.6
83.01387	0.7
85.02937	0.5
85.80473	0.2
88.98787	0.2
89.02448	0.5
91.01908	0.4
91.46995	0.2
93.03465	1.7
95.01384	0.4
96.79234	0.2
99.04540	0.2
101.02465	0.3
107.01385	2.2
108.02175	0.3
109.02961	1.0
113.02484	0.3
116.45196	0.2
117.03470	5.0
119.01376	0.4
119.05023	6.0
121.02973	0.5
123.04526	0.3
125.02423	1.0
125.09712	0.2
131.05048	0.3
132.02177	0.4
135.00877	1.3
137.02441	0.7
143.04987	1.4
145.02960	12.0
145.06563	0.4
146.03282	0.6
151.00366	2.8
151.04126	0.2
152.99583	0.2
153.01923	0.3
154.04260	0.3
155.05016	0.3
156.05840	0.4
157.06578	1.0
158.03719	0.2
159.04521	1.5
161.02478	0.3
163.00407	2.5
163.04015	4.3
164.01106	0.3
165.01949	0.7
167.05022	0.6
169.01485	0.3
169.02850	0.2
169.06557	1.0
171.04510	0.8
173.06071	0.8
180.98949	0.2
182.03696	0.3
183.04558	0.5
184.05347	0.2
185.06105	2.8
187.03989	3.6
189.05579	0.9
192.00729	0.3
195.04520	0.8
196.05237	0.4
197.06046	0.9
199.04005	1.4
200.04691	0.2
201.05565	0.7
203.10794	0.2
205.05023	0.5
211.03979	2.3
212.04736	0.4
213.05533	2.0
214.02708	0.3
214.05943	0.3
223.04044	0.3
224.04834	0.2
226.02789	0.3
227.03506	17.6
228.03957	0.9
229.05054	12.4
230.05374	0.7
239.03436	1.7
240.04218	0.8
241.05038	2.0
243.03029	0.4
247.09770	0.3
255.02983	24.5
256.03625	3.8
257.04544	8.4
258.04910	0.4
267.02957	1.2
283.02426	0.6
284.03259	27.3
285.04037	100.0
286.04376	6.2
289.07111	0.4
291.08740	3.0
325.03513	0.7
413.08569	1.3
431.09915	1.3
517.30865	0.5
521.71094	0.2
577.13483	37.2
578.13800	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	577.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80527	0.8
57.03451	13.1
61.89872	0.9
69.30169	8.0
69.30587	1.5
81.03465	2.7
83.01390	4.5
85.04724	0.9
90.92265	1.0
92.11510	1.0
93.03465	1.4
95.05042	2.5
97.02952	4.1
98.19895	1.9
107.05042	1.6
109.02953	20.9
109.91644	1.1
121.02946	2.7
122.03735	2.4
123.04527	13.6
125.02448	100.0
126.02773	2.9
133.02942	3.8
135.04517	2.5
137.02455	16.7
139.03973	1.6
146.03679	1.0
147.04575	1.1
149.02448	4.5
150.03136	1.1
151.04015	14.4
159.04492	3.5
160.05223	0.9
161.02449	25.5
161.06058	4.1
162.03107	2.6
163.00391	1.5
163.03960	3.3
164.01137	4.3
165.01910	5.0
167.03447	1.7
169.44170	0.9
173.06157	1.5
175.04028	11.6
177.01949	5.7
179.03490	4.6
185.06004	1.8
187.03992	7.0
188.04784	2.9
199.07637	1.0
201.05435	1.4
202.06279	1.0
203.03374	1.5
203.07098	9.5
205.01462	1.7
205.05058	6.8
212.04808	1.3
213.05554	1.9
214.02669	1.0
215.03401	1.5
217.04967	2.2
221.08255	1.8
227.03531	1.6
227.07034	1.2
228.57755	0.9
229.05022	3.7
243.02979	2.6
243.06549	1.4
245.04521	5.7
245.08156	11.7
247.06152	1.9
255.03011	9.1
256.03775	5.9
257.04413	1.5
269.04504	2.7
273.04156	4.6
281.04507	4.4
283.02539	1.9
285.03973	3.8
287.05643	6.9
287.08444	1.2
289.07178	76.1
290.07480	6.2
297.04010	1.4
299.05643	7.4
300.05688	1.0
329.06857	1.4
339.08728	5.4
381.09775	2.8
407.07697	65.0
408.02982	1.5
408.07977	8.0
425.08777	24.3
426.08899	2.0
433.09216	1.2
442.81198	1.1
451.10428	12.5
452.10690	1.9
577.13593	5.8
579.77155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1366
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03446	17.5
59.01384	9.3
61.98834	8.9
67.04359	1.4
69.03414	1.4
71.01385	5.7
71.62666	1.5
71.63055	2.7
73.02944	2.0
81.03458	3.1
83.01389	7.0
85.02957	2.7
89.02430	3.7
89.03958	1.4
93.03458	2.1
95.01360	2.3
95.05042	2.0
97.02959	6.0
101.02501	3.4
107.05023	2.8
108.02206	2.7
109.02956	24.2
110.03280	1.7
111.00881	4.3
113.02450	1.8
121.02959	4.9
122.03741	3.7
123.00877	1.8
123.04528	18.5
123.17664	1.3
125.02451	100.0
126.02782	5.6
133.02985	4.0
135.04549	3.1
137.02457	27.3
139.04027	2.8
149.02513	9.4
149.04503	2.3
150.03203	2.4
150.37029	1.5
151.04018	20.9
152.04419	2.1
159.04504	5.4
161.02451	27.1
161.04700	1.7
161.06108	4.2
162.03128	3.4
163.00345	4.2
163.03931	2.7
164.01088	3.7
165.01978	7.9
167.03487	3.5
173.06107	2.4
174.03226	2.8
175.04022	8.0
176.04271	1.8
177.01961	5.7
177.05545	2.3
179.03535	11.3
185.06044	2.3
187.03992	4.8
188.04700	2.2
189.01903	1.6
199.03975	2.0
201.05588	3.1
202.06157	1.8
203.03520	2.7
203.07076	9.6
205.01299	4.5
205.05052	6.8
206.05157	1.5
207.02980	4.4
211.04060	1.7
217.05086	2.4
219.02902	1.6
221.04617	2.2
221.08142	2.4
227.03596	1.7
227.07332	2.0
229.05086	2.9
230.05637	1.7
243.02898	4.0
244.03531	2.1
245.04588	22.7
245.08067	12.1
246.05006	2.0
247.05989	1.6
255.02934	2.9
256.03583	4.4
257.04456	2.1
269.04443	4.5
287.05685	19.7
289.07184	64.8
290.07538	7.8
299.05603	3.8
301.07230	3.6
330.07391	6.6
331.08200	10.3
407.07584	19.4
408.07684	4.0
425.08850	7.8
439.10339	2.3
451.10321	11.6
467.09805	1.7
559.12872	2.0
577.13916	11.0
577.24707	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.8
69.47004	9.1
81.03471	1.8
83.01392	5.0
84.33924	1.4
93.03462	2.1
95.05028	2.1
97.02960	4.7
107.05064	1.7
109.02962	20.4
121.02962	4.4
123.04537	14.4
125.02453	100.0
126.02792	2.5
133.02959	3.8
135.04582	1.8
137.02451	17.6
139.04007	3.0
140.02213	1.1
149.02435	4.6
150.03255	1.5
151.04013	10.4
157.06543	1.2
159.04526	2.7
161.02452	26.4
161.06085	4.7
162.03142	2.2
163.00333	1.9
163.04030	2.7
164.01166	4.1
165.01929	4.6
167.03424	1.5
173.06108	1.2
175.03995	9.7
175.07607	1.2
176.13013	1.0
177.01950	5.5
177.05573	1.6
179.03542	4.0
187.03987	7.4
188.04790	4.5
199.04109	1.4
199.07655	1.2
203.03534	1.5
203.07124	8.1
205.01370	2.3
205.05011	6.0
211.04077	1.4
217.05051	1.5
222.33980	1.1
224.52550	1.1
227.03439	2.5
227.07124	1.9
228.04077	1.1
229.05002	2.6
243.02924	3.4
245.04536	4.1
245.08220	11.5
253.05347	1.2
255.02966	8.8
256.03702	5.6
257.04630	1.2
271.06140	1.3
273.04074	4.7
281.04538	3.5
283.02533	1.2
285.04050	2.0
287.05640	7.3
289.07196	57.4
290.07486	4.3
299.05557	6.6
339.08600	2.3
381.09888	2.2
407.07703	54.5
408.08054	3.8
425.08829	16.9
426.09317	2.0
451.10483	13.2
577.13489	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	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50422	0.3
58.06469	0.4
59.01384	25.7
61.98834	9.4
77.60146	0.4
78.95911	24.6
80.96536	0.6
83.05038	0.5
96.97000	0.5
98.19884	1.2
122.98541	0.7
127.07602	0.4
138.97649	0.3
150.94405	0.4
152.99617	4.1
168.04343	4.5
177.16833	0.4
194.05898	0.4
224.06934	10.8
233.22716	0.6
242.08018	3.1
259.20749	0.6
268.17087	0.4
274.87305	0.4
277.21732	100.0
278.22058	6.9
502.29422	73.1
503.29730	6.6
577.27002	1.7
604.57672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1345
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
57.03447	13.2
60.65149	0.8
61.19077	0.8
70.07222	2.2
72.00910	2.3
76.15447	0.8
78.95911	1.5
79.20332	0.9
81.03464	2.8
83.01383	4.0
89.03567	6.6
93.03435	1.2
95.05008	1.8
96.96014	1.8
96.96933	1.7
97.02965	4.3
98.20499	1.2
107.05025	1.2
108.02129	1.5
109.02206	1.0
109.02950	18.3
111.00837	1.1
117.03496	1.4
121.02947	4.0
122.03759	1.4
123.04528	12.6
125.02445	100.0
126.02782	2.9
131.05042	0.9
132.04160	6.5
133.02969	4.5
135.04492	2.8
137.02441	18.0
139.04063	4.3
145.02869	1.5
146.03662	1.6
149.02489	4.6
150.03102	1.0
151.04015	11.2
159.04482	3.4
160.05261	1.0
161.02441	27.8
161.06064	3.8
162.03050	2.0
163.00319	1.4
163.03975	2.7
164.01155	3.3
165.01920	4.9
174.03262	1.4
175.03911	8.9
177.01898	4.5
179.03471	4.3
187.03986	6.7
188.04794	2.8
193.77176	0.9
201.05531	2.2
202.06090	1.1
203.03447	1.2
203.07179	8.8
205.01398	1.7
205.05057	6.9
211.03941	2.0
213.05562	1.4
215.03442	1.2
217.05078	2.4
221.08134	1.8
227.03520	1.8
227.07054	1.8
228.04234	1.3
229.05009	2.4
241.05035	1.0
243.02914	2.0
243.06546	1.2
245.04549	6.4
245.08185	12.3
247.06110	1.4
253.05083	1.1
255.03000	8.8
256.03799	5.5
257.04544	1.7
269.04465	2.0
271.06223	1.0
273.04047	5.1
281.04556	3.5
282.01776	1.3
283.02307	1.1
285.04007	3.5
287.05618	8.1
288.02579	1.1
289.07169	66.0
290.07416	3.6
299.05524	6.6
329.06549	2.1
339.08514	2.1
340.08469	1.1
381.09799	3.1
407.07693	56.4
408.08066	4.9
425.08795	18.3
426.09006	1.7
451.10300	11.3
452.10666	1.2
559.12347	1.4
577.13043	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	576.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.9
61.98833	100.0
62.17415	0.4
66.49302	0.3
71.01376	0.8
71.63539	0.4
76.75632	0.4
97.02950	0.5
97.06652	0.4
101.02451	0.4
105.07067	0.3
119.05054	0.7
125.02487	0.6
125.09741	1.3
145.02959	0.9
151.00410	0.5
153.01927	0.4
187.09811	0.7
227.03529	1.2
229.05177	0.7
255.03055	1.7
257.04684	0.4
279.12344	0.4
284.03394	1.6
285.04062	6.0
516.28827	0.5
577.13434	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.39737	0.3
61.98830	100.0
69.43605	2.4
69.44007	0.6
71.01395	0.5
74.37463	0.3
75.83059	0.3
80.96516	2.6
84.94405	0.3
85.02928	0.3
94.98109	0.5
136.38504	0.3
164.98595	0.4
225.00809	0.7
278.22144	0.5
452.38986	0.4
577.26978	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	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56458	0.2
59.01381	0.5
61.98833	100.0
69.86911	0.6
69.87315	0.8
79.55598	0.3
82.97440	0.2
98.20571	0.5
113.85208	0.2
135.57133	0.2
161.03697	0.2
167.22501	0.3
237.43217	0.2
256.83130	0.3
277.21744	0.3
278.22137	0.7
279.22443	0.3
284.26105	0.2
306.63586	0.2
604.79968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44251	0.4
52.60286	0.4
53.13465	0.4
59.01381	20.4
61.98835	18.6
70.95080	1.0
74.93917	0.5
78.95912	7.1
83.05036	0.7
152.99579	1.4
168.04330	2.1
224.06921	0.7
233.38394	0.4
242.08011	3.7
277.21719	100.0
278.22067	7.0
305.76413	0.5
439.67291	0.4
502.29404	34.3
503.29727	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	575.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98003	0.8
55.01876	1.3
57.03439	2.2
58.00592	2.2
59.01379	47.5
61.98833	8.1
63.67405	0.8
69.03443	1.2
71.01385	36.4
72.99297	3.3
73.02943	7.7
74.80511	0.7
74.91200	0.8
75.00874	0.9
83.01376	2.7
85.02947	10.9
87.00854	2.2
89.02445	18.7
95.01392	3.1
99.00870	1.3
101.02436	16.5
107.05016	2.3
108.02176	21.6
109.02997	7.2
113.02444	15.9
119.03502	7.1
123.04515	5.4
134.03716	2.1
135.04526	100.0
136.04843	2.6
150.25151	0.9
151.03951	1.0
152.01164	12.6
153.01904	3.5
153.05597	4.3
158.32776	0.9
161.04510	1.9
165.12959	1.0
174.36804	0.9
178.67340	0.9
179.05522	1.3
183.90427	1.0
237.07671	1.2
253.09303	9.8
253.18044	2.5
273.22241	3.8
277.21707	22.5
278.21957	1.0
279.23285	55.8
280.23651	3.7
291.23264	13.9
297.09778	57.6
298.10010	3.9
315.10846	91.7
316.11136	4.3
319.22800	3.4
328.57736	0.9
515.29535	1.4
575.31470	26.9
576.31824	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	576.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.00592	0.3
59.01384	3.7
60.04476	0.2
61.98834	100.0
65.46088	0.2
71.01382	2.7
71.63567	0.4
73.02949	1.2
75.00880	0.2
80.36157	0.3
83.01423	0.5
85.02975	0.7
87.00876	0.4
88.98830	1.0
89.02432	1.8
99.00860	0.4
99.04530	0.5
101.02451	2.6
103.04027	0.6
105.21456	0.2
109.02982	0.5
113.02480	0.6
119.03539	0.5
119.05015	0.3
121.02967	0.5
123.04614	0.2
124.01677	0.3
125.02460	2.0
131.03473	0.3
137.02478	0.9
145.05122	0.4
149.04517	0.3
151.03999	0.4
153.01974	0.4
161.02509	0.4
161.04596	0.6
163.06123	1.8
165.01923	0.4
167.03615	0.3
168.00633	0.3
177.01979	0.3
178.52115	0.2
193.01491	0.4
227.03619	0.6
229.05099	0.4
240.79112	0.2
255.03125	0.6
257.04605	0.5
284.03375	1.0
285.04044	3.0
285.06949	0.2
289.07364	0.5
293.04456	0.2
307.10443	0.3
315.54022	0.2
409.50537	0.2
516.25226	0.5
517.26727	0.5
550.76239	0.3
559.15326	0.4
577.14001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03180	2.5
57.03450	38.5
58.00589	3.9
59.01379	94.8
61.98829	20.1
69.03457	7.5
70.00452	6.0
70.00761	1.3
71.01384	43.6
72.99324	5.9
73.02946	23.9
75.45722	1.1
77.74200	1.2
81.03458	4.4
83.01394	5.3
85.02949	18.6
87.00891	4.1
89.02441	32.6
91.73724	1.3
95.01408	2.5
97.02937	11.3
99.00854	2.3
99.04509	1.9
101.02448	45.5
103.04008	37.5
106.74116	1.3
109.02898	1.6
109.06599	4.7
113.02435	3.9
115.04063	1.9
119.02737	2.2
119.03516	19.2
123.04572	1.4
123.08227	1.3
125.02446	46.2
127.04003	2.0
137.02460	3.7
137.09769	7.1
139.07617	1.3
142.47585	1.4
143.03497	4.9
145.05077	9.3
149.09723	2.2
156.81613	1.2
161.04492	1.5
163.06126	40.0
164.06534	1.7
165.01935	1.4
189.12956	1.9
192.11551	23.1
193.12056	1.6
205.07191	3.2
207.13898	100.0
208.14169	5.2
235.48288	1.3
247.08199	11.3
254.20129	1.3
307.10358	32.5
308.10675	2.6
386.42789	1.3
409.08847	1.5
534.40405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.1
58.00585	5.8
59.01381	100.0
61.98835	13.4
69.03458	2.1
69.41861	12.9
69.42290	6.8
71.01382	37.7
72.99300	9.4
73.02953	28.7
75.00865	2.1
79.95715	2.5
83.01375	5.5
85.02957	16.9
87.00866	11.4
87.04520	4.7
88.84723	2.1
89.02445	34.2
89.50493	1.8
95.77495	2.5
96.96028	2.6
97.02958	3.0
99.04501	2.5
101.02444	65.9
103.04024	27.9
109.02930	6.4
111.00864	3.4
113.02439	6.1
115.04021	5.1
119.03513	13.0
121.02950	4.8
123.04495	6.3
125.02445	29.8
126.90439	45.9
128.05264	1.9
130.83829	2.0
131.03490	8.2
135.04509	6.3
137.02446	11.9
137.09714	3.0
143.03481	15.0
145.05064	8.4
149.02449	4.2
151.00409	3.1
151.03993	4.1
161.02455	5.2
163.00360	5.2
163.03957	7.2
163.06131	89.6
164.01218	3.6
164.06447	2.2
165.01845	5.8
175.04027	3.9
177.01918	3.6
177.86015	2.1
179.05571	2.2
181.05130	9.6
197.13072	2.0
205.05316	2.7
205.07159	18.2
217.05040	4.2
227.03619	3.3
243.03050	5.2
245.08560	2.1
255.02975	3.0
265.09177	2.6
285.03986	21.5
287.05554	6.3
289.07227	13.0
297.03754	2.5
301.03485	4.1
407.07706	2.9
447.09119	5.3
449.08514	10.5
452.07651	4.4
539.09601	4.7
552.96027	2.3
575.18579	19.8
575.26398	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	575.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96377	0.7
59.01380	6.1
61.98835	9.4
69.90343	4.6
71.01384	2.6
71.41532	0.8
72.99313	1.3
73.21320	0.7
75.53479	1.0
81.03452	1.6
85.02931	4.4
93.03467	1.4
95.01392	3.1
95.05070	1.1
98.20551	1.1
101.02437	2.0
108.02178	99.6
109.02967	31.6
110.03286	1.0
113.02483	1.6
121.02930	2.5
123.00899	2.5
123.04525	45.1
124.04874	1.1
125.02490	1.0
133.02951	1.1
135.04518	3.4
151.03999	1.2
152.01154	62.2
153.01955	17.5
153.05569	54.4
154.05962	1.0
163.03975	2.0
165.01953	1.4
182.35725	0.8
183.95503	0.7
246.07346	1.0
253.09064	1.4
277.21744	4.7
279.23276	14.2
315.07214	1.0
315.10776	1.1
472.32813	1.0
575.28564	100.0
576.28918	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
58.00603	4.5
59.01380	100.0
61.98831	47.8
69.03447	1.4
71.01385	37.3
71.39962	1.9
72.99306	6.2
73.02948	34.7
75.00880	1.9
75.41996	0.8
81.03436	1.2
83.01375	2.4
83.05011	1.3
84.30483	0.8
85.02955	15.2
85.36327	0.9
86.00102	1.5
86.47605	0.9
87.00883	10.6
87.04514	3.8
89.01907	1.7
89.02448	28.5
93.03439	2.3
95.01379	1.1
97.02972	1.7
99.00915	1.6
99.04500	1.3
101.02446	62.8
102.02789	1.4
103.04011	26.1
109.02973	1.9
113.02441	4.0
115.04019	5.9
119.03501	13.9
123.04523	1.1
125.02468	7.7
127.03996	2.3
128.10118	0.9
131.03503	9.4
137.02441	3.7
140.12483	1.1
143.03531	12.6
145.05061	8.4
145.37842	0.8
151.03976	1.1
161.02495	1.3
161.04593	1.3
163.06125	92.4
164.06464	2.1
167.03474	1.2
175.03987	1.0
197.60350	0.9
205.05196	1.5
205.07153	22.7
206.99854	77.2
207.31367	1.0
208.00151	3.1
233.08417	2.0
235.08191	1.2
265.09323	6.4
307.10562	1.7
325.11316	1.0
338.98984	0.9
371.23746	1.0
515.10669	1.7
515.28790	1.7
575.25806	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	575.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
58.00600	3.7
59.01383	97.3
61.98840	54.6
69.03452	2.8
69.29447	10.2
69.29868	2.9
71.01389	34.6
72.99317	6.9
73.02955	33.2
75.00880	2.8
78.40864	1.3
81.03452	1.8
83.01404	3.0
83.49414	1.1
83.75764	1.2
85.02953	14.1
86.00070	1.5
87.00877	10.0
87.04523	3.5
88.98816	1.3
89.02453	29.3
97.02991	2.3
99.00898	1.4
99.04536	1.2
101.01778	3.0
101.02451	60.4
102.02774	1.6
103.04016	24.1
107.01398	1.9
109.02955	2.4
111.08179	2.0
113.02439	3.3
115.03996	5.0
116.92820	1.6
119.03505	15.3
123.04478	2.4
123.58966	1.2
125.02458	11.2
127.04005	2.5
131.03519	11.1
137.02429	7.8
143.03525	11.9
145.05069	8.5
151.00356	2.2
151.03932	1.8
161.04588	1.7
163.06131	100.0
164.06479	3.0
165.01921	3.0
177.01958	1.6
178.99840	2.3
179.05580	1.9
190.99928	1.3
196.67714	1.2
205.05421	2.1
205.07213	22.0
207.13855	1.5
259.06100	1.3
265.09253	5.7
285.04169	1.9
289.07190	2.3
307.10172	1.3
347.05637	1.3
365.06253	1.3
402.93884	1.4
515.09692	3.7
515.29150	1.4
547.12207	1.4
575.16504	1.8
575.29126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	21.4
59.01379	30.0
61.98833	75.8
69.78509	13.0
69.78928	4.6
71.01376	11.3
72.99311	3.0
78.95932	4.7
81.03473	4.7
83.01398	9.8
85.02967	3.2
88.98808	9.2
89.02462	9.8
90.05705	2.6
93.03445	8.2
95.01408	4.2
95.05048	5.0
96.96021	7.2
96.96947	4.8
97.02953	3.1
101.02434	8.6
109.02976	17.2
110.89706	3.4
111.00854	4.0
113.02497	4.8
121.02972	12.0
122.03757	6.7
123.04537	13.7
125.02458	100.0
133.02956	3.7
137.02449	39.1
149.02438	23.7
150.03252	33.9
151.00386	12.0
151.04002	18.4
153.01988	3.3
159.04510	4.6
161.02499	17.5
161.06012	4.0
163.00333	15.8
163.03992	5.0
163.06123	5.9
164.01126	11.5
164.04771	3.5
165.01895	30.2
165.05560	34.8
166.02727	13.9
167.03456	3.4
173.06110	10.2
174.03194	2.7
175.03978	15.4
177.01926	11.7
179.03510	5.5
180.04298	6.6
181.05005	14.3
185.06137	5.6
187.03963	5.2
189.01816	3.4
189.05522	4.4
195.06609	29.7
199.03922	4.0
201.05573	28.7
203.03441	3.1
203.07103	6.2
205.01402	3.3
205.05023	7.0
211.03990	3.7
213.05606	7.3
214.02698	3.2
215.03502	4.8
217.05058	16.6
225.07689	7.9
227.03491	4.4
229.05080	30.7
241.05037	12.3
243.03006	14.5
244.03368	3.0
245.04504	25.9
245.08176	4.1
255.02994	7.2
257.04517	27.3
257.07285	4.1
263.07123	6.5
267.06546	4.9
269.04584	9.4
271.02429	4.7
273.03992	3.2
279.06674	3.6
281.08362	6.7
285.04086	47.1
285.07507	4.8
287.05594	13.4
289.07227	37.8
291.06787	4.0
297.03970	3.5
301.07138	12.0
301.10669	4.4
305.08313	3.4
307.06061	8.6
309.07669	17.9
316.09555	4.4
319.05899	4.0
327.05182	4.9
331.11880	18.0
333.07458	5.8
349.07288	6.2
351.21796	8.1
352.22211	14.6
353.22452	6.4
367.07867	3.1
377.06732	7.6
379.14154	3.4
395.07755	82.8
396.08084	5.4
407.07739	12.3
411.07217	5.2
423.07236	15.1
447.08627	4.5
449.08820	27.5
452.07465	8.3
453.08270	4.1
463.46884	3.0
539.09894	6.7
557.11523	3.5
575.11731	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	575.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58677	0.8
57.03450	7.2
58.00592	1.1
59.01381	22.6
61.98518	1.7
61.98831	26.1
65.03970	1.0
67.01866	1.0
69.03447	3.3
71.01384	10.8
72.61847	0.8
72.99296	1.9
73.02946	5.6
77.03951	1.5
81.03465	4.4
83.01391	10.7
84.01741	0.8
85.02962	4.4
85.26014	1.0
87.00886	0.9
89.02454	7.6
93.03443	4.5
95.01373	1.5
95.05051	2.1
96.96014	1.1
96.96934	1.1
97.02958	7.5
98.20638	2.0
99.04491	2.4
101.02453	9.9
103.04013	4.3
107.05013	2.5
108.02155	1.1
109.02957	12.0
111.00880	0.9
113.02428	1.9
115.03990	1.2
119.03471	2.4
121.02947	6.3
123.00887	1.6
123.04489	2.8
124.01642	2.5
125.02449	40.2
126.02782	1.3
131.03445	1.9
133.02928	1.7
137.02448	100.0
138.02890	1.2
139.04015	2.9
143.03474	2.4
145.02948	1.1
145.05038	1.3
149.01424	1.0
149.02405	5.0
150.03220	5.3
151.04004	9.5
151.74219	0.9
153.01923	3.1
161.02417	2.3
163.00386	3.1
163.06140	10.7
164.01181	6.5
165.01933	30.9
166.02293	1.4
166.70860	0.9
167.03490	12.2
171.04506	4.0
177.01917	8.8
178.17540	1.0
179.03453	2.6
183.04526	1.1
187.04037	1.7
193.06628	1.2
195.04517	1.3
197.05844	1.1
198.03180	1.5
199.04025	4.6
201.05634	1.0
203.49226	1.0
205.07123	2.8
207.13936	5.0
209.06097	2.7
211.03993	3.2
212.04677	1.8
213.05534	3.3
215.03574	1.3
215.07053	2.6
219.08092	0.9
221.06082	1.5
223.03958	1.0
224.04739	1.4
225.01888	1.9
227.03500	8.8
229.05054	1.7
230.05771	2.0
233.06013	1.7
234.06711	1.1
235.04141	1.2
235.07703	2.1
237.05467	2.8
239.07158	1.5
241.05029	2.2
243.02962	2.7
243.06602	14.5
244.03610	1.0
246.06880	1.1
247.07869	1.9
249.05557	1.8
249.09204	1.2
251.03508	1.3
251.07120	1.2
253.04880	1.3
255.02728	0.9
255.06487	1.4
259.06046	8.2
261.05615	2.2
261.09137	1.4
262.06287	1.1
263.07092	2.8
264.04202	0.9
265.05014	2.0
267.06509	2.5
271.02875	1.7
271.06076	20.2
271.12534	1.0
272.06528	1.7
275.07080	1.1
277.05093	2.5
277.08685	4.0
279.06644	3.7
281.04788	1.2
283.06055	3.5
285.03879	2.4
286.04385	1.5
287.07175	1.0
291.06543	3.8
293.04529	1.8
293.08148	2.3
295.06070	1.6
299.05457	3.8
303.06528	2.5
304.07318	1.1
305.04901	1.1
305.08121	5.2
307.06006	2.5
307.09930	1.2
309.07681	2.7
315.06659	1.3
317.08112	1.3
318.05356	1.0
319.06085	3.1
321.07773	1.6
323.09396	1.2
331.06030	2.6
333.07526	2.5
335.05457	1.1
335.09207	1.7
337.10742	2.2
345.03882	1.4
345.07678	1.8
347.05649	9.3
349.07074	2.5
359.05505	2.8
361.06998	1.3
361.10983	1.1
363.08905	1.0
365.06470	10.9
365.10175	1.2
375.04996	1.6
377.06500	2.6
379.08005	3.7
385.10812	1.5
387.08585	2.0
389.06619	5.1
391.08176	3.3
393.09808	1.6
396.08759	1.3
397.09085	2.3
409.09265	24.3
410.09241	1.7
411.08850	1.6
421.09192	2.5
427.12003	2.0
429.09622	2.4
431.07547	7.3
437.08762	26.6
438.09109	2.7
449.08588	1.4
453.09976	1.5
463.09875	1.3
471.10831	11.1
472.10974	1.5
485.43518	1.0
497.08429	4.2
499.10242	2.0
503.13434	2.7
515.09833	56.5
516.10339	4.7
529.11249	1.1
539.34235	2.4
543.09149	1.5
547.12488	25.6
548.12561	3.2
557.10425	1.5
575.11877	15.2
575.31543	1.4
576.12256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71198	1.8
57.03458	8.5
57.20806	1.8
59.01363	1.8
61.43865	1.8
61.98825	6.7
69.61802	8.2
69.62215	3.4
74.56642	1.3
81.03465	2.3
83.01370	5.5
93.03468	3.3
97.02948	3.7
109.02310	1.9
109.02973	24.4
109.84914	1.9
121.02978	14.4
122.03764	2.2
123.04530	11.1
125.02457	80.5
126.02788	1.9
133.02956	2.7
137.02461	26.8
139.04019	3.0
147.00897	4.0
147.04543	4.6
149.02443	13.8
150.03185	1.9
151.03989	7.7
158.03738	2.1
159.04575	2.9
160.01649	2.0
160.05243	2.0
161.02493	19.2
161.06082	3.4
163.00395	27.6
163.04039	4.0
164.01190	9.3
165.01930	16.7
171.04529	4.6
173.02547	2.7
173.06018	1.9
174.03178	3.6
174.12352	1.6
175.04042	15.9
175.07610	2.0
176.01144	7.7
176.21846	1.6
177.01971	16.1
179.03528	5.0
185.06026	3.6
187.03976	7.0
188.04716	2.0
189.01939	3.6
189.05539	3.1
199.04105	8.9
201.01878	4.1
201.05556	2.8
203.03534	3.8
203.07133	6.7
204.00705	2.9
205.01541	2.5
205.05058	6.5
211.03940	4.4
212.04768	1.8
213.05460	5.3
215.03488	4.9
216.37601	2.0
217.05081	13.4
227.03543	4.9
229.05058	5.6
241.05078	9.7
242.02110	3.3
243.02983	8.3
243.06503	2.1
245.01352	1.8
245.04546	4.6
245.08185	12.9
255.03094	13.0
256.03705	4.7
257.04572	9.8
269.04559	4.6
272.03467	1.7
273.04086	2.4
281.04599	3.1
283.06018	4.5
285.04080	100.0
286.04431	7.6
287.05557	10.3
289.07196	59.8
290.07428	4.2
290.20215	1.7
297.04135	6.1
301.03455	2.6
307.06158	15.9
309.04205	2.2
313.03717	2.3
321.07574	2.1
327.05045	10.7
330.05585	1.7
343.81940	2.1
387.05054	4.6
388.05795	2.1
405.05557	1.8
407.07825	18.4
411.07281	7.4
423.07202	39.1
424.07767	2.5
434.06424	2.4
435.07361	3.1
447.07608	2.8
449.08826	50.3
450.09079	7.4
452.07474	14.3
453.08176	8.1
471.10397	3.3
513.11816	2.1
532.14459	1.7
539.09918	19.5
540.10126	3.1
557.11060	5.1
575.11951	57.0
576.12433	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	573.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03442	3.4
58.00591	0.8
59.01381	20.0
61.98830	9.3
69.03454	1.6
71.01385	17.6
71.63081	0.5
72.99303	0.8
73.02946	12.4
75.00875	1.1
81.03465	0.8
81.26521	0.4
83.01385	2.8
83.05032	0.6
85.02957	14.0
87.00876	1.5
87.04530	2.3
89.02442	6.2
95.01347	0.5
97.02951	5.5
99.00902	2.8
99.04528	1.5
100.01664	1.4
100.04547	0.5
101.02445	17.6
103.03992	1.4
105.49940	0.5
107.83775	0.5
111.04519	0.5
113.02447	6.5
115.04005	1.5
117.05608	1.0
119.03472	3.3
125.02480	0.7
127.03994	0.8
131.03522	0.8
133.05084	13.0
142.57529	0.4
143.03471	0.7
145.05069	7.4
151.06157	1.7
157.05128	0.7
159.02969	0.9
160.60600	0.5
161.04549	5.7
175.06117	16.5
179.05658	0.5
193.07179	1.1
205.07164	1.0
217.07152	3.1
233.22833	0.5
259.20908	0.5
275.20078	0.8
277.21719	100.0
278.22043	7.0
295.10342	23.1
296.10699	1.1
304.67841	0.5
313.11334	1.7
538.79980	0.5
573.37787	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	574.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71959	0.3
55.11396	0.2
57.03451	0.6
59.01387	3.3
59.85142	0.2
61.98836	100.0
62.67246	0.2
63.99244	0.3
70.65533	0.8
71.01385	1.4
73.02947	0.6
75.00900	0.7
85.02955	0.5
87.00916	0.4
88.98829	0.5
89.02459	0.7
95.01379	0.2
98.19977	0.3
98.39854	0.2
99.04515	0.3
101.02466	1.3
111.00871	0.3
113.02483	0.4
113.50691	0.2
125.02480	1.1
137.02524	0.4
149.70776	0.2
155.10840	0.4
163.06206	0.4
168.44418	0.2
174.84424	0.2
207.14003	0.6
214.15312	0.2
231.06448	0.2
490.36774	0.3
574.32538	1.0
575.27271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2913
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
53.94371	0.8
58.00583	2.5
59.01381	100.0
61.98827	7.8
69.45234	3.4
69.45660	3.9
71.01385	54.4
72.99311	3.2
73.02952	2.5
75.00873	1.0
83.01383	2.1
85.02960	8.4
87.00864	4.1
89.02447	80.0
89.25211	0.9
90.02747	1.9
95.01379	4.0
97.02903	1.5
99.00888	1.3
101.02444	29.8
109.02952	3.8
113.02453	25.3
119.03503	33.3
123.04475	3.3
125.02407	3.4
131.03465	4.1
135.00900	2.7
135.30550	1.1
143.03510	10.2
143.47061	1.0
143.57483	0.9
149.02509	1.8
149.04521	2.8
153.01901	3.5
160.52699	0.9
161.02489	1.3
161.04581	14.3
177.01857	1.1
179.05608	66.9
180.05917	1.5
211.04169	1.0
255.03072	1.9
269.04416	1.2
285.04019	4.7
297.04099	1.4
325.03497	2.3
351.21594	3.2
357.20746	1.3
447.07043	2.6
449.08768	2.1
477.24860	2.9
495.26062	2.8
498.36566	0.9
511.10559	1.0
513.27045	28.3
514.27332	3.3
521.08032	1.0
573.14691	6.2
573.29260	6.4
574.14520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
58.00592	1.0
58.27927	0.9
59.01381	100.0
60.01738	1.1
61.98828	12.0
69.62009	6.1
71.01382	20.9
72.99303	1.7
73.02927	2.8
80.91681	0.8
83.01398	1.0
85.02954	5.7
87.00867	1.5
89.02441	26.5
93.03455	3.5
95.01366	2.9
95.05006	0.8
96.95988	1.2
97.02878	0.8
99.00917	1.2
99.92554	2.0
101.02441	14.7
108.02195	1.1
109.02965	1.0
113.02448	9.2
113.71687	0.8
115.92075	1.7
116.05056	2.1
116.92877	10.0
119.03499	11.9
120.99628	1.1
121.02959	11.5
122.03751	8.0
123.04495	1.3
124.01717	1.1
125.02425	3.0
133.02904	1.3
135.04504	1.8
137.02425	1.3
143.03485	3.5
149.01244	1.5
149.02441	34.5
150.03229	49.7
151.03802	1.8
160.04037	26.5
161.04453	21.2
164.04805	8.2
165.05566	60.4
166.02788	1.1
166.06360	22.3
167.07109	2.7
175.03970	1.6
176.01144	1.1
179.05620	11.4
180.04248	3.8
181.08707	11.3
195.06616	39.6
196.06979	2.5
204.03024	1.3
206.05521	0.9
234.36063	0.9
243.03041	0.9
267.06631	1.1
270.08920	1.4
285.04053	1.3
285.07599	1.5
293.30069	0.8
313.10678	1.8
314.11667	4.7
315.19699	1.0
325.08911	1.2
329.10486	1.1
329.13925	19.6
330.14246	1.6
333.20856	1.3
343.11856	15.5
344.12210	2.2
351.21750	3.9
358.96661	0.8
366.08377	2.3
367.08755	4.5
377.16080	1.4
391.13861	1.5
411.07233	1.4
513.26984	36.0
514.27234	4.1
525.21301	19.0
526.21948	2.2
573.14636	2.8
573.29181	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	572.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
61.98831	100.0
62.98538	0.2
69.36683	1.6
71.01381	0.5
73.02963	0.3
75.00862	0.2
80.59509	0.2
85.02963	0.2
89.02453	0.5
101.02431	0.2
106.47022	0.2
110.12360	0.2
125.02493	0.2
135.08162	0.4
137.09749	0.5
155.10786	2.5
156.11154	0.8
170.35681	0.2
199.09738	0.5
227.74397	0.2
241.02617	0.8
242.02771	0.3
243.02187	0.4
571.31506	0.4
572.31647	4.7
573.32220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53125	0.2
57.03446	0.3
59.01381	7.7
61.98831	7.5
71.01380	1.8
72.99302	0.6
73.02931	1.0
83.01383	0.4
83.04992	0.3
85.02965	0.7
85.10075	0.2
87.00904	0.3
88.98814	0.4
89.02457	1.8
93.03461	0.4
96.96030	0.3
101.02457	1.8
103.04001	0.7
108.02190	0.4
109.02919	0.4
113.02455	0.9
119.03513	0.8
121.02956	100.0
122.03272	2.0
125.02452	1.3
131.03540	0.3
135.04558	0.3
143.03519	0.5
155.10863	0.3
160.04025	0.2
161.02466	0.4
161.04636	0.3
163.06122	1.2
179.05609	0.5
197.09647	0.2
205.07152	0.4
232.47258	0.3
285.04108	0.5
304.81860	0.3
307.10101	0.3
315.10883	0.6
351.21872	1.3
391.16306	0.8
531.62628	0.3
531.70435	0.3
573.26202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03453	3.2
59.01381	77.4
59.97156	1.1
61.98833	100.0
69.03454	1.3
71.01388	27.4
71.63938	1.5
71.64341	1.8
72.99317	1.3
73.02952	6.1
75.00896	2.3
75.03098	1.3
83.01390	2.6
83.05036	1.7
85.02959	9.2
87.00879	2.2
89.02454	24.4
89.29907	1.3
94.30194	1.3
95.01392	2.0
99.00900	2.1
101.02451	19.3
104.77404	1.3
109.06609	1.4
111.08168	1.5
113.02460	9.7
119.03535	8.1
125.02478	2.3
125.09707	1.7
131.03461	7.2
139.70668	1.2
143.03548	1.6
149.04552	12.5
159.03014	1.5
161.04568	5.1
172.46243	1.2
179.05646	4.9
191.05586	2.1
214.09364	1.5
318.34518	1.4
381.22769	7.7
405.72559	1.5
513.27643	10.0
573.36334	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	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95798	0.5
55.01876	1.3
57.03444	2.4
58.00596	0.6
59.01382	11.5
60.98158	0.5
61.98835	76.3
69.03463	0.9
71.01387	8.9
71.63942	0.7
72.99332	0.9
73.02953	5.6
81.03422	0.6
83.01395	1.6
83.05013	0.6
85.02961	4.2
87.04520	0.8
88.98806	1.1
89.02435	4.2
92.00773	0.5
95.01367	1.4
95.05039	1.0
97.02985	1.4
99.00886	1.3
100.58847	0.5
101.02445	5.6
108.02214	1.4
113.02432	3.2
119.03516	1.5
119.05044	1.9
124.01682	0.7
125.02451	1.5
135.08162	5.0
136.08495	0.6
137.02396	0.6
137.06114	0.6
137.09734	13.5
139.07590	0.6
143.03445	0.8
149.04642	0.6
155.10789	65.3
156.11125	2.6
161.04570	2.3
163.04044	0.9
165.05624	1.4
179.05603	1.6
181.08701	3.3
199.09782	11.7
281.14050	0.8
285.04227	0.7
571.31287	100.0
572.31604	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	571.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50096	1.0
57.03455	1.0
59.01385	100.0
59.16726	1.1
59.83368	1.1
61.98838	7.5
71.01383	3.2
71.62935	1.5
73.02946	1.3
78.95910	27.3
82.03361	1.0
85.02953	1.4
96.96978	2.9
101.02460	3.4
113.02436	1.8
131.27716	1.0
152.98340	1.9
152.99594	34.0
161.04527	1.8
163.11324	0.9
189.58482	0.9
243.80873	1.0
251.11362	7.6
255.23372	3.8
277.21722	72.1
278.22083	6.0
409.23608	19.4
410.23880	1.3
571.28864	4.6
571.38202	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	571.2891
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.06280	0.8
60.07721	0.7
66.75802	0.6
71.26106	1.6
75.97835	0.6
78.95911	69.5
96.96960	14.9
116.14116	0.7
150.97975	1.3
152.99596	53.9
171.00682	1.1
223.00073	2.1
241.01202	29.4
255.23312	73.5
256.23712	3.6
259.78027	0.8
315.04852	9.2
391.22571	6.0
416.25958	0.7
428.76724	0.7
571.28912	100.0
572.29303	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.7
60.21342	0.6
61.98820	1.7
62.96408	0.7
64.82951	0.6
66.46342	0.6
71.01424	0.7
71.40619	1.0
72.78864	0.6
78.95905	71.3
96.96961	13.2
119.51633	0.5
139.86240	0.6
152.99588	57.4
164.23326	0.6
171.00696	0.7
223.00156	2.2
240.98685	1.2
241.01183	31.9
255.23286	80.3
256.23636	6.6
315.04837	10.0
383.90332	0.5
391.22598	6.2
571.28864	100.0
572.29120	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	571.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20706	0.7
57.03443	1.4
58.28921	0.7
59.01381	100.0
59.29818	0.6
60.01727	1.5
61.98832	49.3
68.48914	0.6
69.46735	6.7
71.01393	1.1
73.02963	0.8
75.00877	0.8
76.79121	0.8
83.05043	1.5
84.30824	0.7
87.00894	4.5
87.04594	0.8
93.27715	0.7
101.02492	0.8
107.05042	1.1
123.04539	1.4
125.09736	1.5
133.65788	0.7
149.06105	1.1
149.09666	0.8
157.10295	0.8
179.07135	4.1
199.11375	1.0
201.12976	1.9
217.12383	2.5
229.12405	1.9
247.13449	3.7
249.14984	8.5
255.96213	0.9
261.11371	4.6
262.12115	1.2
263.12894	5.9
333.20731	0.9
351.14630	2.4
465.26468	1.1
483.27640	10.7
484.28256	0.9
493.26276	1.4
511.27026	17.6
512.27374	1.8
559.19867	0.9
571.34705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03441	0.2
57.58458	0.2
59.01378	2.8
59.61814	0.2
61.98833	100.0
62.78921	0.2
62.98540	0.2
62.99256	0.2
65.42549	0.2
71.01383	2.1
71.63423	0.2
73.02943	1.0
80.13739	0.2
83.01403	0.4
85.02959	0.8
87.00885	0.2
88.98804	0.4
89.02458	1.2
95.01387	0.4
99.00899	0.2
101.02444	1.3
111.37788	0.2
111.50967	0.2
113.02448	0.5
119.03448	0.4
125.02473	0.3
135.08180	0.7
137.09720	2.1
148.40355	0.2
148.61586	0.2
155.10789	10.7
156.11151	0.2
160.04033	0.2
161.04585	0.4
163.03941	0.2
179.05544	0.4
181.08713	0.5
199.09782	1.6
222.14262	0.2
249.68985	0.2
360.31085	0.2
406.65808	0.3
556.96808	0.2
570.30457	0.4
571.31287	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	571.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
61.98830	100.0
62.73175	1.3
69.46308	3.1
69.46719	7.9
71.01382	3.1
82.08944	1.3
89.02443	1.3
93.03478	2.9
98.19870	2.5
101.02416	1.4
105.77280	1.2
121.02936	2.3
137.02458	3.2
149.99495	1.4
165.47598	1.2
227.07220	4.3
229.36931	1.5
252.52028	1.3
511.26697	1.6
571.15948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19823	4.1
59.01374	22.9
61.98845	32.7
69.61602	24.1
69.61922	4.8
70.67274	3.6
71.01380	17.8
75.34236	4.1
75.34677	3.6
75.41664	4.1
78.95892	4.0
85.02951	8.7
89.02447	12.9
95.01380	5.7
101.02415	11.2
113.02484	7.3
119.03499	5.5
156.89488	9.6
223.06084	3.9
289.79541	4.3
294.59607	3.7
392.09711	4.9
416.46326	4.5
535.20074	7.7
535.27649	100.0
536.28168	8.5
571.25299	53.8
572.25580	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98832	100.0
69.38969	1.6
71.01399	0.5
71.58598	0.2
83.01425	0.2
90.42604	0.2
95.42260	0.2
101.02454	0.4
124.69989	0.2
125.02460	0.2
130.54004	0.2
161.04552	0.3
199.09807	0.2
267.46301	0.2
267.48984	0.2
271.58395	0.2
284.33224	0.2
312.87454	0.2
396.83997	0.2
510.19342	0.2
570.22479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.2
59.01385	1.7
59.14907	0.2
61.98835	100.0
62.98543	0.2
63.99272	0.4
69.66684	1.4
71.01403	0.8
72.99319	0.3
73.02958	0.3
75.00887	0.3
81.03504	0.2
85.02961	0.7
87.00902	0.2
89.02471	0.5
94.89719	0.2
97.40443	0.2
101.02473	0.6
113.02473	0.3
116.92896	0.3
121.03024	0.3
123.04535	0.3
125.02496	0.5
137.02478	0.8
151.04016	0.3
155.10809	0.6
160.04063	0.3
163.03992	0.2
174.89687	0.2
199.09889	0.4
211.67908	0.2
371.24750	0.3
507.22571	0.9
510.30115	0.6
556.65503	0.2
565.02869	0.2
571.23541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58340	0.4
59.01389	8.2
61.98835	100.0
81.85765	0.4
95.90972	0.5
97.06684	0.5
137.02443	0.6
179.27917	0.5
271.38550	0.5
287.82867	0.6
317.21057	0.6
323.29248	0.5
368.33203	0.5
526.16980	0.6
570.39081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21563	0.2
58.61095	0.2
59.01367	0.3
61.74065	0.2
61.98830	100.0
62.71633	0.2
63.10403	0.2
66.41434	0.2
70.93437	0.3
128.98380	0.2
149.02290	0.2
173.20729	0.2
241.11716	0.2
264.66937	0.2
375.46335	0.2
385.80966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25963	0.2
59.01381	2.6
61.98831	100.0
67.21938	0.2
70.23311	0.7
70.23672	0.3
71.01371	1.1
72.99339	0.2
73.02950	0.4
75.00875	0.8
85.02964	0.2
89.02439	0.6
101.02466	0.6
113.02525	0.3
119.03561	0.3
119.05042	0.8
121.02967	0.2
125.02469	0.4
137.02449	0.3
137.09752	0.4
155.10777	2.2
163.04007	0.8
168.00604	0.3
174.70284	0.2
205.05125	0.2
207.13792	0.2
265.64322	0.2
278.83603	0.3
285.04138	0.3
329.77106	0.2
349.20331	0.3
510.29422	0.3
511.25574	0.5
570.22729	0.3
571.22772	0.3
571.31311	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	569.2989
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
54.04615	1.3
55.01882	1.2
57.03455	3.0
58.00589	2.2
59.01088	2.6
59.01381	45.3
61.98833	53.1
68.92496	1.1
69.03435	1.3
71.01385	36.8
71.34531	1.2
71.64595	1.4
72.99328	2.4
73.02941	11.2
81.03464	1.3
83.01397	3.9
85.02946	11.0
87.00879	3.2
87.04514	27.2
89.02444	46.7
90.02776	1.6
95.01395	1.8
95.05032	2.0
97.02943	1.9
99.00869	6.0
101.02445	26.6
111.75720	1.2
113.02444	9.6
115.04086	1.3
119.03511	9.5
125.02444	4.5
131.03500	9.3
132.57155	1.3
135.08176	4.6
137.09709	13.4
138.06836	2.0
143.03545	3.6
149.04559	30.8
153.09200	5.1
155.10776	62.8
156.11139	1.9
159.02942	1.2
161.04565	4.4
174.65834	1.2
176.42114	1.2
179.05602	4.1
179.07054	1.4
181.08720	2.5
191.05659	6.1
194.45679	1.2
196.07382	1.2
199.09772	15.2
199.13477	1.6
223.27606	1.3
225.14966	5.2
241.10905	1.8
251.07681	1.4
284.03296	1.7
285.03955	2.2
359.83963	1.3
379.95981	1.4
421.20648	1.6
437.25546	6.4
500.20541	1.4
509.25461	12.0
510.26178	1.2
569.29749	100.0
570.30078	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	569.3
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
50.88887	1.2
55.43504	1.0
56.35989	1.1
59.01370	1.9
61.98833	6.1
69.03432	1.2
69.57547	2.5
69.57967	5.0
71.01379	5.6
73.02976	1.4
78.98590	4.7
79.95731	9.7
80.96519	53.6
81.03417	1.3
85.02953	2.7
87.00882	2.3
94.54687	1.0
94.77451	1.0
94.98091	11.0
96.95985	0.9
97.02924	2.0
99.00865	1.0
101.02428	1.2
106.98069	1.5
113.02535	1.3
122.97554	2.1
124.01614	1.5
125.02472	4.2
134.97594	2.5
136.99261	1.4
148.99136	3.4
152.98619	5.0
164.98621	9.1
196.74495	1.0
206.99649	1.4
225.00749	13.6
255.23286	2.4
256.23715	2.1
257.23932	1.6
269.24918	3.0
299.04291	2.2
320.37415	1.1
338.96793	1.1
525.39392	1.4
569.30048	100.0
569.38470	10.6
570.30402	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	570.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98832	100.0
62.98543	0.3
63.99260	0.2
65.49464	0.2
69.58799	0.2
71.01386	0.8
72.12746	0.2
72.47311	0.2
72.99287	0.3
73.02950	0.5
85.02984	0.4
88.98856	0.2
89.02463	0.5
93.03499	0.2
98.19817	0.3
101.02415	0.4
113.02433	0.2
116.92850	0.2
124.01678	0.5
125.02462	0.3
139.04045	0.5
168.00682	0.2
169.08614	0.2
180.11548	0.2
181.04977	0.2
190.00673	0.1
197.11710	0.2
197.66302	0.2
287.67200	0.2
507.19156	0.2
510.29727	0.2
529.62646	0.2
571.23700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
57.03440	1.3
59.01384	12.2
60.01348	0.5
61.98833	18.8
71.01392	4.8
73.02941	3.2
85.02955	2.1
87.04510	1.0
88.98793	0.7
89.02427	1.8
89.44574	0.5
95.01404	0.6
97.02920	0.9
98.20645	1.2
101.02441	3.0
113.02431	1.5
115.03959	0.5
119.03509	1.1
123.04570	0.5
125.02427	0.9
135.04495	1.1
135.08134	3.5
137.02425	0.6
137.09726	12.2
138.06854	1.9
149.02429	3.8
153.09207	5.8
153.74104	0.5
155.10782	66.4
156.11118	2.3
161.04575	0.6
163.11221	0.8
164.04788	4.7
165.05463	0.7
169.12354	0.9
179.03448	0.7
179.07104	4.6
181.08701	2.2
196.65166	0.6
199.09756	13.8
207.13919	0.7
225.14943	2.7
241.10706	1.3
359.14932	1.8
371.15146	0.6
389.02045	0.7
440.55426	0.6
475.46454	0.6
533.30469	0.6
569.29675	100.0
570.30072	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	569.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97380	1.2
59.01379	19.7
61.98833	94.8
66.59383	1.0
69.03461	1.0
70.05177	4.3
70.14397	1.0
71.01379	19.1
71.95988	1.0
73.02956	8.4
75.00854	1.3
75.39702	1.0
77.08553	0.9
83.01376	2.3
85.02955	7.2
87.00903	2.0
87.04517	100.0
88.04857	1.5
88.98768	2.0
89.02460	7.4
95.01376	1.7
97.02950	1.8
99.00890	4.1
101.02443	12.6
113.02454	5.6
113.72752	1.0
125.02450	3.5
131.03499	1.3
137.02464	1.2
137.09731	1.7
141.78033	1.3
142.72884	1.2
143.03491	1.5
145.02924	1.4
149.04507	2.6
155.10760	4.9
161.04559	3.0
161.09673	1.1
167.02052	1.0
179.10678	1.4
185.29915	1.1
196.07118	1.0
250.17497	1.1
283.98029	1.4
285.04175	1.2
287.62671	1.2
293.04059	1.1
298.42105	1.1
308.49744	1.1
377.21692	11.0
421.20816	5.7
509.25970	55.8
510.25961	5.0
569.29974	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	569.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.4
57.03453	5.5
59.01090	3.7
59.01380	56.7
61.98833	7.3
69.61776	10.8
71.01382	32.2
72.99299	7.4
73.02944	9.5
73.11813	2.0
75.00874	5.8
83.01379	8.5
85.02962	12.1
87.00861	5.2
89.02446	28.3
95.01405	2.5
99.00862	2.8
101.02441	24.9
104.52737	2.3
109.02953	11.4
111.00880	2.7
113.02440	11.6
119.03506	7.8
123.04537	2.6
125.02454	20.1
134.45436	2.0
137.02443	48.7
138.03267	11.6
139.00316	2.4
145.02921	3.2
149.02425	4.7
150.03191	4.7
151.04001	5.4
152.04749	3.7
161.02420	2.5
161.04633	6.3
162.05452	2.8
163.03976	15.9
164.01112	2.9
164.04778	3.6
165.01929	100.0
165.05592	10.5
166.02286	4.2
166.06337	6.1
171.10194	2.6
175.03960	4.2
177.01881	9.6
177.05525	2.4
179.03487	21.1
179.05055	2.6
179.05574	2.6
180.04288	55.4
181.05040	22.3
181.08672	6.8
188.41780	2.4
190.75365	2.0
192.04216	4.6
194.05782	3.5
195.02861	4.0
195.06621	74.7
199.82483	2.4
205.29111	2.5
207.06578	11.0
209.08083	3.5
210.05258	10.3
225.05681	1.7
225.07658	46.0
261.13528	2.5
264.36789	2.3
290.79755	2.3
298.33041	2.7
305.11478	3.1
329.10220	2.2
343.14188	14.4
345.13431	2.5
346.87238	2.2
359.14789	2.7
374.13449	2.6
392.14847	12.3
407.07843	2.6
407.12125	3.3
407.17093	52.4
408.17386	2.7
440.27390	2.4
506.17862	2.9
509.22348	2.3
521.20306	83.0
522.20471	7.0
539.20068	3.5
569.22394	81.8
570.22620	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	569.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03439	0.6
57.42715	0.2
58.19356	0.3
59.01381	7.3
61.98831	16.1
69.03428	0.5
69.57683	2.0
71.01380	3.4
72.99312	2.1
73.02957	1.4
75.00872	1.0
83.01393	0.9
85.02966	0.9
87.00876	0.7
88.98805	1.2
89.02451	2.1
90.26901	0.3
91.00409	0.4
93.03459	0.3
95.34857	0.2
99.00889	0.6
99.04509	0.4
99.92586	9.0
101.02427	2.5
104.73536	0.3
105.01945	1.8
109.02973	0.5
111.00889	0.3
113.02461	1.0
115.04061	0.3
116.92861	100.0
117.01936	1.1
117.92863	4.0
119.03484	0.6
121.02978	0.5
125.02451	1.7
137.02452	0.9
143.03479	0.3
149.02448	0.3
149.99632	0.4
150.03238	1.2
151.03983	0.5
152.01068	0.4
153.02063	0.4
160.84355	0.3
161.04565	0.6
161.06056	0.3
162.03233	0.3
163.06088	0.6
164.04852	0.4
165.05557	1.1
167.03445	0.3
168.00584	0.6
179.03435	0.3
179.05656	0.7
181.05098	0.7
192.43358	0.3
195.06636	0.6
201.11346	1.4
206.75554	0.3
209.08163	0.3
220.06099	0.3
221.10277	0.7
232.26479	0.3
329.17490	0.5
365.14545	0.5
372.14514	0.9
383.15631	0.9
425.16641	4.5
426.17209	0.6
509.25220	0.5
521.20117	0.3
551.27283	0.3
569.19299	0.6
569.23712	0.4
569.31708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
61.98835	100.0
63.99266	0.5
66.64811	0.2
70.31218	0.5
70.31579	1.0
71.01393	1.0
71.56242	0.2
73.02958	0.3
85.02992	0.4
88.98825	1.0
89.02457	0.9
98.01453	0.3
101.02450	0.8
109.44382	0.3
113.02486	0.4
123.04569	0.2
125.02489	0.9
125.88467	0.3
137.02399	0.5
149.02524	0.3
151.04015	0.3
162.05453	0.3
176.97398	0.3
180.04086	0.3
389.25684	0.3
406.21848	0.4
408.30563	0.2
568.25470	0.8
569.32050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11687	0.4
59.01385	2.8
61.98835	100.0
79.95710	0.7
80.96517	2.8
94.98129	0.9
106.58105	0.4
126.30125	0.4
138.85443	0.4
164.98639	0.6
225.00739	1.0
229.60333	0.5
535.03516	0.4
569.29907	7.3
569.38007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.4
57.03453	5.5
59.01090	3.7
59.01380	56.7
61.98833	7.3
69.61776	10.8
71.01382	32.2
72.99299	7.4
73.02944	9.5
73.11813	2.0
75.00874	5.8
83.01379	8.5
85.02962	12.1
87.00861	5.2
89.02446	28.3
95.01405	2.5
99.00862	2.8
101.02441	24.9
104.52737	2.3
109.02953	11.4
111.00880	2.7
113.02440	11.6
119.03506	7.8
123.04537	2.6
125.02454	20.1
134.45436	2.0
137.02443	48.7
138.03267	11.6
139.00316	2.4
145.02921	3.2
149.02425	4.7
150.03191	4.7
151.04001	5.4
152.04749	3.7
161.02420	2.5
161.04633	6.3
162.05452	2.8
163.03976	15.9
164.01112	2.9
164.04778	3.6
165.01929	100.0
165.05592	10.5
166.02286	4.2
166.06337	6.1
171.10194	2.6
175.03960	4.2
177.01881	9.6
177.05525	2.4
179.03487	21.1
179.05055	2.6
179.05574	2.6
180.04288	55.4
181.05040	22.3
181.08672	6.8
188.41780	2.4
190.75365	2.0
192.04216	4.6
194.05782	3.5
195.02861	4.0
195.06621	74.7
199.82483	2.4
205.29111	2.5
207.06578	11.0
209.08083	3.5
210.05258	10.3
225.05681	1.7
225.07658	46.0
261.13528	2.5
264.36789	2.3
290.79755	2.3
298.33041	2.7
305.11478	3.1
329.10220	2.2
343.14188	14.4
345.13431	2.5
346.87238	2.2
359.14789	2.7
374.13449	2.6
392.14847	12.3
407.07843	2.6
407.12125	3.3
407.17093	52.4
408.17386	2.7
440.27390	2.4
506.17862	2.9
509.22348	2.3
521.20306	83.0
522.20471	7.0
539.20068	3.5
569.22394	81.8
570.22620	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	568.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72569	0.1
55.51397	0.1
61.98832	100.0
62.98549	0.1
69.35738	1.0
69.36132	0.2
75.62103	0.1
76.07573	0.1
85.64905	0.1
98.20677	0.2
104.74339	0.1
137.02463	0.1
159.35158	0.1
165.02039	0.1
197.75581	0.1
270.13364	0.1
343.90759	0.1
451.93552	0.1
494.85471	0.1
508.27774	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	568.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14634	0.3
59.01387	1.4
59.51626	0.3
61.98837	100.0
69.41626	1.5
69.42046	1.6
71.01377	0.8
75.00884	0.4
77.97366	0.4
83.01379	0.3
88.98834	0.6
89.02473	1.0
92.48349	0.4
94.86469	0.3
101.02443	0.8
111.39589	0.4
113.02541	0.4
119.62283	0.4
121.02918	0.5
125.02475	1.6
137.02460	0.6
139.26964	0.4
149.02415	1.1
150.03238	4.1
151.04097	0.6
164.04865	0.5
165.05566	3.3
181.05135	0.6
195.06654	1.8
215.13823	0.4
257.04681	0.6
285.04044	0.8
289.07309	0.8
373.15121	1.3
394.03738	0.4
404.14987	0.4
419.17212	1.0
462.61108	0.4
521.20349	3.2
568.25397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37386	0.8
50.48897	0.9
55.32178	1.0
57.03439	3.4
59.01380	10.5
61.98830	100.0
65.04642	1.0
69.92065	2.6
69.92455	2.1
71.01379	8.8
73.02962	1.3
75.00879	2.2
76.13690	0.8
77.05628	1.0
83.01394	1.5
83.05033	2.0
85.02953	2.8
88.98812	4.2
89.02457	4.3
93.03434	1.1
95.01420	1.3
97.02953	1.3
99.04490	2.0
101.02448	4.1
101.83200	0.9
103.07417	1.0
105.07102	1.3
108.02169	6.6
109.02959	5.2
113.02419	2.2
119.03477	1.4
120.99722	1.3
121.03001	1.4
123.00890	2.0
123.04498	1.8
124.01637	2.3
125.02450	4.9
127.34242	1.0
137.02435	2.8
149.02448	1.2
151.00381	1.0
151.03941	1.8
152.01125	5.1
153.01971	9.4
161.04733	2.6
161.09657	1.6
162.03313	1.5
162.05618	1.5
167.03488	1.0
168.00667	2.4
173.13348	6.5
176.07204	1.0
177.05534	1.5
179.03496	2.8
181.05072	2.9
194.05850	2.4
199.07565	1.1
209.08176	4.1
217.12416	2.4
235.13324	7.9
261.11282	1.6
279.09329	1.6
279.12372	33.6
280.12772	2.6
285.03998	1.4
287.18695	3.6
315.07309	7.7
356.15045	1.4
373.93121	1.2
404.38000	1.2
489.61111	1.0
507.25238	1.5
537.19727	1.7
567.20557	6.5
567.31561	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	568.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01382	1.5
61.98831	100.0
69.43497	2.4
71.01401	0.8
76.45995	0.3
81.82298	0.3
83.01389	0.4
85.02966	0.4
88.98799	0.8
93.03471	0.4
98.02489	0.3
101.02460	0.5
109.02937	0.6
116.92892	0.4
117.96402	0.3
121.02995	0.4
123.00908	0.5
124.01701	0.5
125.02468	1.4
133.24188	0.3
137.02461	0.9
138.03268	0.4
139.04073	0.4
149.02448	0.7
151.00378	2.6
151.04024	0.8
152.01176	0.4
153.05681	0.5
159.06198	0.3
161.02458	0.8
163.04050	0.8
164.04823	0.6
164.07204	1.2
165.05615	0.5
166.02699	4.5
173.02402	0.5
175.03973	0.5
181.05080	7.1
191.03572	0.5
191.91881	0.3
205.05002	0.6
207.06512	0.3
218.08299	0.3
219.06680	0.9
221.08240	0.4
265.05093	0.4
285.04163	0.6
327.08990	0.9
342.10947	0.7
356.15094	1.1
357.13599	1.2
358.76761	0.3
401.11627	0.5
490.15134	0.6
520.16809	2.2
521.15857	0.4
535.18652	1.9
550.20886	10.5
550.29004	0.6
551.21588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09262	1.2
59.01384	11.9
60.99305	13.0
61.74916	1.2
61.98832	100.0
68.12881	1.5
69.03499	1.3
69.32139	3.8
69.32555	7.7
71.01399	7.1
71.01723	1.2
72.99272	1.1
73.02951	2.4
75.84686	1.4
85.02962	2.4
88.98808	80.9
89.02454	11.2
91.01913	6.1
95.01418	1.8
99.92606	1.2
101.02441	7.1
109.02943	5.4
113.02446	4.4
116.92882	6.6
117.92870	2.4
118.92677	1.8
119.03505	5.5
121.02913	1.5
125.02457	3.7
135.00887	14.1
137.02505	1.4
146.12918	1.2
149.02448	4.5
151.04030	4.0
153.01938	27.1
154.02179	1.2
161.02472	16.0
164.04825	3.7
176.04779	12.7
177.05516	4.2
179.03514	23.2
179.05615	4.2
179.07179	4.7
191.07190	4.9
194.05840	27.2
197.08264	1.2
209.08186	62.6
210.08569	3.2
276.18460	1.6
314.04395	2.3
338.16431	1.3
359.13251	2.2
391.91550	1.2
402.89838	1.3
477.10507	5.1
549.19733	2.5
567.21716	7.5
567.30780	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	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.9
59.01385	58.4
60.99316	11.3
61.95781	1.7
61.98835	18.1
69.70322	5.6
69.70736	6.4
71.01382	31.6
72.99308	5.9
73.02949	5.3
75.00885	2.8
83.01373	3.0
85.02956	7.1
87.00901	4.9
88.98813	100.0
89.02456	49.9
95.01421	2.3
101.02450	20.4
111.00900	9.3
113.02464	12.5
119.03532	8.7
121.02985	3.0
125.02441	6.5
131.03462	2.7
137.15576	1.9
139.00404	2.8
149.04549	7.2
151.03937	3.0
161.02557	2.3
161.04689	4.4
162.05540	3.1
166.02705	6.2
173.04501	2.3
175.03880	2.7
175.89113	2.0
176.07242	3.0
178.02734	2.4
179.05608	3.0
181.05064	3.6
190.02687	2.8
191.03456	11.0
203.03482	5.2
205.05051	8.4
206.05904	14.1
218.05975	3.2
221.08307	13.4
233.08070	2.6
260.64975	1.9
289.07370	2.5
327.08688	2.4
339.08765	2.4
342.10925	5.3
342.54980	1.9
345.10971	2.7
357.13583	14.5
369.13446	15.5
537.19788	88.2
538.20209	12.9
549.19788	37.2
550.19769	5.7
550.81891	2.2
567.30475	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	566.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11280	0.2
59.01379	0.4
60.81307	0.2
61.98837	100.0
71.44710	0.4
75.00890	0.3
79.31239	0.2
186.24124	0.2
193.08307	0.3
298.97742	0.3
361.67389	0.3
552.60394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98835	100.0
62.31166	0.4
65.83438	0.5
76.98638	0.4
120.08459	0.4
122.79900	0.4
130.72853	0.5
143.51183	0.4
147.23459	0.5
198.44412	0.4
206.01587	0.5
244.55241	0.4
312.06766	0.4
420.39465	0.5
425.28546	0.5
549.00977	0.4
567.36932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
59.97209	0.2
61.90696	0.2
61.98833	100.0
63.99252	1.0
67.15388	0.2
69.65243	0.6
69.65657	0.7
71.01392	2.0
78.95896	1.2
91.43813	0.2
98.19819	0.2
113.32522	0.2
126.90495	0.2
146.33571	0.2
152.99670	0.4
153.41840	0.2
202.69994	0.2
223.08244	0.3
255.23312	5.3
255.25821	0.4
330.33563	0.2
480.30914	1.7
492.30862	2.0
566.35083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58672	0.6
59.01374	6.7
60.99318	4.1
61.98836	100.0
62.98544	0.7
67.01902	0.5
71.01384	5.8
71.63213	0.7
72.99314	1.4
73.02961	1.2
75.00883	1.2
83.01391	0.6
84.61687	0.6
85.02978	1.3
87.00878	0.9
88.98817	25.2
89.02453	8.0
91.01940	1.0
101.02459	3.5
102.96435	0.6
105.03473	0.8
107.92487	0.5
109.02962	1.7
110.30419	0.6
113.02484	2.4
116.92878	8.0
117.92890	3.2
118.92632	3.4
118.99877	1.3
119.03503	2.9
121.02963	1.0
121.33324	0.6
125.02465	1.7
131.03595	0.6
133.02948	0.7
135.00941	3.2
137.02484	0.8
139.13387	0.6
149.02484	1.9
151.04007	2.9
153.01947	5.5
161.02451	10.2
161.04582	1.1
162.03238	1.1
163.06252	0.7
164.04834	4.3
176.04808	8.4
177.01961	1.3
177.05603	2.6
179.03551	15.5
179.05626	2.2
179.06950	3.3
182.05914	0.7
191.07121	3.0
192.04128	0.6
194.05843	18.1
197.08232	0.8
209.08206	39.0
210.08557	1.2
247.66306	0.6
296.19046	0.6
344.11234	0.7
356.88348	0.7
358.12833	0.9
359.13644	1.6
362.34338	0.6
477.10748	1.8
507.25024	0.9
549.19977	1.0
567.21527	3.4
567.30737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81408	0.3
54.95801	0.3
59.01378	1.0
59.02255	0.3
61.98830	100.0
69.42419	2.7
71.01402	0.4
88.98862	0.3
89.02456	0.3
98.20628	0.8
101.02458	0.4
112.06342	0.3
112.69749	0.4
125.02435	0.7
137.02452	0.4
148.04088	0.5
168.00737	0.4
455.90530	0.4
506.27280	0.4
566.25494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.31828	0.3
61.33878	0.3
61.42719	0.3
61.98835	100.0
69.10868	0.3
69.45473	2.1
69.45883	0.5
71.01389	1.2
73.02960	0.5
89.02464	1.1
90.02756	0.3
99.00867	0.4
101.02480	1.3
113.02475	0.6
119.03499	0.3
149.04587	0.4
243.74115	0.3
273.61697	0.3
319.78156	0.3
363.22980	0.3
374.22647	0.7
505.27011	0.5
506.26886	2.0
507.27496	0.4
539.70978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03448	0.4
59.01088	0.3
59.01381	5.2
61.98832	100.0
63.99268	0.2
69.03429	0.3
69.62769	0.5
69.63197	0.8
70.99354	0.2
71.01385	5.5
71.01763	0.4
72.99322	0.5
73.02949	2.3
83.01385	1.6
83.05031	0.2
85.02954	2.8
87.00874	0.4
88.98828	0.5
89.02438	1.0
92.77429	0.2
93.03479	0.4
95.01414	0.3
97.03004	0.3
99.00900	0.7
101.02450	5.2
103.04015	0.5
106.06646	0.9
113.02447	1.9
119.03567	0.3
125.02490	1.1
143.03535	0.5
150.05624	0.6
159.03011	0.3
161.04559	3.2
161.05865	0.3
163.06128	0.5
164.04832	0.2
168.00685	0.2
186.30145	0.2
213.05646	0.3
217.08702	0.2
244.31215	0.2
247.08261	0.5
255.03209	0.2
361.12878	4.6
506.26688	0.5
507.18716	6.5
507.28073	0.8
553.24902	0.2
566.26721	0.6
567.25861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81408	0.3
54.95801	0.3
59.01378	1.0
59.02255	0.3
61.98830	100.0
69.42419	2.7
71.01402	0.4
88.98862	0.3
89.02456	0.3
98.20628	0.8
101.02458	0.4
112.06342	0.3
112.69749	0.4
125.02435	0.7
137.02452	0.4
148.04088	0.5
168.00737	0.4
455.90530	0.4
506.27280	0.4
566.25494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25086	0.3
57.03472	0.4
57.17239	0.4
59.01382	3.0
61.98834	100.0
63.47284	0.3
63.99249	0.9
69.47533	2.1
71.01398	2.1
82.19942	0.3
83.01386	0.5
85.02982	0.8
87.00884	0.6
89.02469	1.1
94.14172	0.3
95.01416	0.5
96.95990	0.4
97.03014	0.4
98.19929	0.6
98.48547	0.3
101.02447	1.7
108.02224	0.8
109.02982	0.8
111.00905	0.5
112.93082	0.3
113.02457	0.9
116.92886	1.6
119.03522	0.4
121.02972	0.7
123.00906	0.5
125.02468	1.2
135.02948	0.3
135.04486	0.3
137.02470	1.0
151.03975	0.7
153.01976	1.0
161.02480	0.6
161.04608	0.6
162.01074	0.3
162.03285	0.4
167.03488	0.3
168.00751	0.4
169.00943	0.3
176.33865	0.3
177.01930	0.5
179.03473	0.6
179.05884	0.3
179.89374	0.3
190.02797	0.3
194.05850	0.6
197.06035	0.5
200.07344	0.3
205.05122	0.5
209.08286	0.6
223.06136	0.3
243.06664	0.6
285.03915	0.4
286.04742	0.4
297.06305	0.6
332.06171	0.4
432.10449	0.5
506.26529	0.4
566.19153	1.8
567.20270	0.4
567.30841	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	566.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25423	0.2
59.01387	0.5
61.98833	100.0
69.33418	1.7
71.01379	0.4
85.02959	0.2
88.98830	0.4
89.02448	0.6
98.11308	0.2
98.19876	0.3
99.92612	1.1
100.92609	0.7
101.02440	0.3
112.84103	0.2
116.92870	11.9
117.92879	5.6
118.92696	0.5
123.88986	0.2
135.00925	0.2
137.02390	0.3
149.04588	0.2
150.05023	0.2
153.01962	0.5
177.23238	0.2
179.03638	0.2
209.08244	0.4
235.13895	0.2
252.35876	0.2
275.88654	0.2
391.81125	0.2
502.06750	0.2
506.25729	0.3
517.28662	0.2
566.29443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98833	100.0
62.98539	0.2
63.99255	0.2
68.45045	0.1
68.82156	0.1
69.47061	0.3
69.47491	0.3
71.01393	0.2
72.99332	0.1
73.02951	0.1
88.98838	0.1
89.02438	0.1
98.20570	0.2
101.02464	0.1
113.02475	0.1
125.02460	0.1
132.23097	0.1
137.61650	0.1
197.91121	0.2
314.92102	0.1
481.47260	0.1
506.26602	0.2
566.19885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01389	5.5
61.33978	0.7
61.98837	54.8
69.52686	0.5
70.39289	0.5
70.39628	2.1
71.01383	6.0
73.02959	2.4
75.00884	0.6
83.01374	1.8
85.02953	1.9
87.00872	1.0
89.02464	2.1
95.01421	1.0
95.05045	0.8
97.02982	0.8
101.02454	4.3
103.48141	0.5
105.03498	0.7
107.01327	0.5
109.02975	0.8
113.02455	1.7
116.92898	1.0
117.03484	1.2
119.03545	0.7
121.02966	1.3
123.04513	0.8
123.08111	0.7
124.01680	0.7
125.02470	5.1
125.09743	1.2
126.02809	1.1
132.02182	14.5
132.03152	0.9
133.03000	4.0
134.03760	15.2
135.04514	1.6
137.02475	4.1
138.02811	0.6
149.02464	0.9
149.06088	2.1
151.04022	0.6
153.01965	1.0
153.05565	0.8
153.12839	0.7
157.08730	1.2
160.01672	75.5
160.93826	0.8
161.02084	2.9
161.04570	0.6
163.06154	0.7
164.01097	0.6
165.01883	1.2
167.03534	1.2
168.00583	1.2
175.04019	76.9
176.04349	3.1
177.02065	0.6
177.05482	0.9
178.02728	1.3
179.03531	2.0
187.09798	4.7
193.05080	11.6
194.05457	0.9
196.91496	12.9
197.11798	0.8
213.05550	0.8
214.05894	0.8
217.10846	0.9
230.05511	0.9
231.05646	0.6
241.05089	2.3
242.05429	2.9
243.05646	1.5
257.04538	1.3
258.04938	1.0
270.04898	1.2
293.08505	0.8
317.78500	0.6
353.37454	0.7
373.22198	0.8
403.17554	2.0
403.26141	0.6
427.09695	1.1
482.66452	0.6
505.26886	1.8
550.24207	1.5
565.12250	3.6
565.26593	100.0
566.19116	1.1
566.26996	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	566.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98830	100.0
69.95296	1.0
71.01382	0.6
73.02950	0.3
85.02990	0.3
85.37383	0.2
88.98816	0.5
89.02478	0.4
99.00860	0.2
101.02467	0.7
103.87854	0.2
113.02427	0.2
116.92859	0.3
117.92864	0.3
118.27481	0.2
119.03465	0.3
123.04470	0.2
125.02468	0.7
149.04607	0.2
151.04018	0.2
154.34499	0.2
161.02441	0.2
161.04749	0.4
195.60316	0.2
243.03146	0.2
343.33429	0.2
396.26224	0.2
405.15601	0.3
445.20709	0.2
506.22754	0.3
566.21155	0.3
567.25220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51772	0.9
55.42315	1.0
56.65905	0.9
57.03417	0.9
58.00598	1.3
59.01389	19.7
60.01696	0.8
61.98837	69.7
69.62597	0.8
71.01391	13.6
71.05017	1.1
71.63229	1.1
72.99310	2.8
73.02953	4.2
83.01386	2.1
85.02968	5.7
87.00864	1.2
88.98834	1.0
89.02447	7.4
90.73756	0.8
97.02954	1.9
99.00890	1.8
101.02460	9.6
103.04019	3.3
105.76641	0.9
108.02168	1.7
109.02979	2.6
113.02460	2.5
116.92860	1.4
117.03526	1.1
117.89383	0.9
119.03500	3.9
121.02960	4.3
123.00948	1.3
124.01679	1.5
125.02454	10.8
131.03596	0.8
132.02188	16.6
133.02921	3.0
134.03760	20.4
135.04445	1.6
137.02484	2.3
139.11298	4.0
143.03479	0.9
147.00912	0.8
149.06104	3.6
149.99628	1.5
152.01120	1.5
153.01924	1.0
160.01683	81.5
161.02126	2.9
161.04588	1.4
161.09767	1.9
163.06143	3.3
163.30708	0.9
164.04794	12.0
168.00673	3.8
175.04024	87.1
176.04373	3.8
178.02718	0.9
178.15070	1.0
179.03503	1.6
179.07109	7.7
179.10803	1.3
193.05084	17.6
195.04623	2.2
197.06120	30.3
197.07988	2.6
198.06569	2.1
201.11371	7.6
247.08342	1.2
289.12207	0.9
302.24692	1.0
307.10330	3.6
335.08701	1.0
505.26355	3.2
565.19965	5.1
565.26611	100.0
566.26898	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	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.1
58.00576	2.1
59.01099	1.7
59.01381	35.8
61.98831	71.4
62.98529	1.6
70.24664	4.4
71.01371	19.7
72.99307	2.6
73.02943	2.9
83.01379	2.4
85.02940	3.5
88.98766	1.6
89.02441	19.4
99.00906	1.4
101.02448	6.5
101.02984	1.0
111.00871	1.7
113.02468	3.0
116.92886	6.7
117.03487	1.5
117.92850	1.2
119.03480	1.5
119.05045	2.3
121.02962	1.9
121.56215	1.0
123.00861	3.1
124.01678	2.0
125.02417	3.9
131.03444	1.5
133.02925	1.4
134.03783	1.6
135.04451	1.1
137.02443	3.9
138.03162	2.1
139.00372	3.0
145.02933	5.1
146.03728	1.9
147.00880	1.3
147.04482	3.1
149.02467	6.7
149.04520	2.8
150.03180	1.5
151.00374	10.0
152.01070	1.5
153.01894	4.8
153.05592	1.8
158.03720	4.4
159.04495	3.4
160.01631	3.9
160.05258	6.7
161.02400	2.3
163.03998	1.3
164.04787	4.6
165.01982	1.4
166.02719	19.1
167.03325	1.4
168.00616	3.0
173.02423	2.5
173.06067	4.5
174.03203	2.4
174.06584	1.2
175.00340	6.2
175.04013	13.9
175.07631	4.9
177.05452	1.3
179.03424	1.2
179.07137	1.6
181.05058	39.0
187.04039	2.5
188.04756	2.9
189.01883	2.2
189.05554	2.2
190.02724	15.4
190.06329	5.4
191.03413	2.5
193.05023	3.1
199.01584	1.2
201.01938	1.0
202.02725	3.0
202.06337	1.3
203.03477	14.4
203.07036	1.1
204.04152	1.2
205.05040	15.5
205.08575	5.2
206.05725	1.2
209.84648	1.1
217.05081	9.0
218.05830	15.1
219.06374	1.4
221.08244	1.4
223.06139	5.3
233.08162	24.7
234.08492	1.1
239.05338	1.0
265.07086	3.0
309.03827	1.5
319.97879	1.1
323.05533	1.7
325.03699	1.6
327.08765	1.3
332.81342	1.0
338.07584	1.2
339.08691	3.3
340.05896	1.4
343.21341	1.2
353.10065	1.2
354.11163	2.3
355.08209	9.1
370.10709	5.8
382.90146	1.2
385.12894	50.3
386.13321	2.4
397.12796	2.4
415.13898	11.7
416.14413	2.3
536.19952	2.8
550.17194	1.7
565.19238	100.0
566.19678	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	565.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68253	0.5
58.11936	0.7
59.01381	11.5
61.98832	8.7
71.01385	7.2
71.62852	0.6
72.99314	1.0
73.02950	1.3
74.99088	1.0
75.00890	0.7
80.24261	0.6
85.02948	1.8
87.00873	1.9
88.98809	1.4
89.02452	7.8
97.02919	0.9
99.00865	1.6
100.65822	0.6
101.02434	5.1
109.02886	0.7
111.00889	14.3
113.02457	0.8
116.92905	0.7
119.03471	1.0
122.06130	1.9
123.04514	0.8
125.02457	2.1
131.03513	1.3
132.04578	4.1
147.03188	0.8
149.04538	2.6
150.05641	1.0
158.02461	2.1
160.04024	2.2
161.04614	1.5
162.05647	0.7
173.00938	1.3
176.03590	3.1
176.07164	1.2
190.05093	9.5
191.05583	0.8
192.06592	0.9
196.11374	1.2
211.12343	1.2
215.11885	1.8
223.08784	0.9
224.09538	3.0
225.07990	0.9
226.07362	0.7
227.08241	1.5
234.04024	0.9
235.04932	0.8
237.10513	0.7
239.08275	1.1
239.11891	7.1
240.10205	2.4
241.09702	2.9
250.07396	0.8
253.06190	5.1
253.09908	0.7
255.07750	1.3
255.11339	2.4
265.09863	1.3
267.07632	3.5
268.08475	4.1
281.09335	2.1
283.10880	28.4
284.11200	1.7
287.10364	0.7
295.05432	1.2
309.08820	8.8
315.13715	0.7
327.09888	15.9
328.09949	1.4
341.11469	3.5
344.31216	0.7
359.12527	1.7
371.08804	8.8
372.09125	0.6
403.11453	100.0
404.11792	8.5
476.91553	0.7
565.16211	7.6
565.29187	3.9
566.17291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.2
61.98837	100.0
69.14410	0.6
69.37870	3.7
69.38293	2.5
75.79325	0.8
118.49716	0.7
125.02449	1.1
125.09766	3.2
187.09761	1.6
232.47600	0.8
331.25085	2.2
501.34393	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	565.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03441	0.9
59.01386	13.0
61.98518	0.6
61.98832	8.5
63.85336	0.4
67.32487	0.4
71.01384	8.0
71.62993	0.8
72.99280	0.9
73.02939	2.1
74.99092	1.6
75.00877	1.0
83.01403	0.6
85.02953	1.5
87.00890	3.3
88.98817	1.4
89.02456	7.8
95.01382	0.6
99.00900	2.0
101.02441	4.2
104.05086	0.5
111.00890	22.9
112.01199	1.4
113.02463	2.4
113.55275	0.4
116.92843	0.9
117.05591	0.7
119.03514	1.3
122.06132	2.0
123.04456	0.8
124.07719	0.7
125.02421	1.6
125.48429	0.4
130.02991	0.7
131.03511	1.5
132.04584	3.1
136.99120	0.9
137.02446	0.8
146.02510	0.5
146.06099	0.6
147.03273	1.0
149.04619	2.2
150.05618	0.8
151.00476	0.5
153.01825	0.6
158.02521	2.5
160.04065	2.9
161.04584	1.5
162.05556	1.0
172.99605	0.5
173.00894	2.8
174.05591	0.8
176.03542	4.0
179.05612	0.5
181.05045	1.1
190.05086	9.8
191.05753	1.3
192.06705	1.1
211.08989	0.4
211.12360	1.3
212.10748	0.8
213.06796	0.9
213.10303	0.7
215.11870	1.6
218.05836	0.6
220.02502	0.7
223.08748	1.1
224.07486	0.7
224.09465	2.7
226.05203	0.5
226.07451	0.8
227.08252	1.4
233.08188	1.0
234.04030	1.4
235.04971	0.6
238.08855	0.5
239.04846	0.5
239.08272	1.0
239.11905	8.3
240.10446	2.4
240.12386	0.7
241.09821	3.2
250.07625	0.6
253.06204	7.0
253.10020	0.6
254.03439	0.5
254.06807	1.1
255.07826	1.4
255.11382	1.8
256.08362	0.6
265.09885	1.8
267.07675	3.4
268.08545	4.8
281.09375	2.7
283.10892	27.9
284.11115	1.7
287.10513	0.6
299.10403	0.6
309.08798	7.7
313.07205	0.7
315.13495	1.0
327.09854	17.6
328.10077	1.5
341.11462	3.0
353.07776	0.8
359.12527	1.6
371.08807	9.8
372.09305	0.7
381.18649	0.5
385.12985	0.9
403.11465	100.0
404.11758	8.2
445.12653	0.9
478.55609	0.5
533.14819	0.5
565.16077	6.8
565.28052	2.7
566.17938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22345	0.2
54.01915	0.2
59.01381	1.8
61.98832	100.0
62.98544	0.3
69.39587	1.4
78.95941	0.2
139.56569	0.2
147.12207	0.2
164.91042	0.1
223.08231	0.2
279.23203	1.0
504.31183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
61.98838	100.0
63.83777	0.2
64.34335	0.2
69.39297	0.9
69.39730	1.0
79.87952	0.3
89.33421	0.2
98.20622	0.5
138.17415	0.2
161.40094	0.2
186.20905	0.3
292.24255	0.2
328.10916	0.3
535.98669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10087	0.2
60.07783	0.2
61.98837	100.0
70.19661	0.6
70.75192	0.2
81.91577	0.2
114.65105	0.2
124.12548	0.2
187.29840	0.2
243.94266	0.2
296.68524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90366	0.2
54.04068	0.2
56.28194	0.2
59.01378	2.4
61.98830	100.0
69.36392	0.8
69.36821	0.9
71.01389	0.2
78.95940	0.2
98.20692	0.3
98.87700	0.2
113.76743	0.2
116.80155	0.2
152.99525	0.2
209.34132	0.2
246.25975	0.2
254.02623	0.2
279.23315	0.6
441.18109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98831	100.0
62.98537	0.1
69.81974	0.7
71.01389	0.3
74.99104	0.1
88.98792	0.3
89.02454	0.5
99.00895	0.1
101.02446	0.2
112.27723	0.1
119.03449	0.1
149.04550	0.2
190.16844	0.1
338.38571	0.1
355.12079	0.1
565.19391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99039	0.2
52.76784	0.2
57.03466	0.3
58.48694	0.3
59.01386	2.5
61.98832	100.0
62.91306	0.2
66.62468	0.3
69.39856	1.3
69.40295	1.1
71.01392	2.3
73.02959	0.8
73.78924	0.3
73.92112	0.3
83.01391	0.5
85.02959	1.2
87.00880	0.3
89.02429	1.7
98.19857	0.6
101.02454	1.9
113.02448	0.5
113.29618	0.2
116.92878	0.6
125.02424	0.4
131.03590	0.3
137.02490	0.5
160.05313	0.3
161.04553	0.6
166.02756	0.4
181.05130	0.7
205.08844	0.3
223.06094	0.5
264.15601	0.3
371.20731	0.5
372.21179	1.0
373.22211	0.5
449.43237	0.3
504.25415	2.6
505.26566	2.8
511.06110	0.3
529.26495	0.4
564.21631	0.3
565.19958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06715	0.1
57.30875	0.1
58.85286	0.1
59.01380	0.7
61.98835	100.0
62.98524	0.2
69.33422	1.4
71.01394	0.5
75.97323	0.2
88.98808	0.4
89.02466	0.4
101.02464	0.5
137.02429	0.2
161.04733	0.2
205.44485	0.1
245.24307	0.2
262.27545	0.2
311.06644	0.2
423.05209	0.2
564.37799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08821	2.6
57.03444	10.7
59.01378	20.4
60.37958	2.7
60.99295	9.0
61.98832	37.7
64.71679	2.5
68.99808	3.3
71.01388	27.2
71.63144	3.0
72.99301	5.7
73.02940	4.6
75.00885	4.0
83.01391	7.3
83.06103	2.5
83.21699	2.6
85.02942	10.3
87.00881	49.2
88.00409	6.4
88.19489	2.5
88.98806	43.0
89.02452	15.4
95.19259	2.4
97.02929	3.2
99.00887	32.9
101.02446	10.9
106.86400	2.4
109.02969	4.3
111.00885	30.7
112.01247	3.0
112.98809	58.6
113.02430	5.8
115.00414	4.8
116.92857	3.0
119.03523	3.3
121.02909	4.8
123.00874	5.7
124.00401	7.1
125.02441	7.4
129.01926	5.7
130.08720	4.8
134.03714	2.7
135.02998	6.2
136.99178	3.7
137.02531	3.4
138.02153	3.2
138.03227	15.3
142.99860	66.8
145.01414	8.2
147.03056	5.5
149.02388	5.4
153.05568	11.0
163.04028	9.7
163.06120	3.9
164.04778	8.8
165.05537	6.0
172.09770	5.9
173.00908	53.2
174.01715	16.9
175.03987	3.2
177.01933	8.3
178.06348	20.1
179.07080	6.6
181.05095	3.1
191.03558	4.1
192.02892	3.1
193.03755	4.9
207.06651	4.5
208.06204	19.4
220.06161	3.9
233.03151	4.9
234.05231	5.5
249.07623	6.8
279.09085	2.6
291.08734	8.6
309.09738	9.0
330.69186	3.3
342.09790	7.9
356.11490	3.7
357.12314	26.9
372.14505	100.0
373.14719	8.2
400.13913	11.1
412.14413	3.0
424.14188	4.2
428.13153	3.4
430.14899	3.7
442.15271	5.4
504.21695	8.3
564.17267	53.8
565.17340	11.5
571.24878	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	564.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40965	0.3
59.01385	2.1
61.98831	100.0
62.98499	0.3
69.32197	1.2
69.32619	1.4
71.01384	1.2
72.01732	0.3
73.02943	0.6
78.63364	0.3
83.89361	0.3
85.02972	0.8
86.92388	0.3
88.89643	0.3
89.02464	1.0
96.49158	0.2
101.02470	0.9
109.02973	0.3
113.02434	0.5
116.92849	0.4
123.04478	0.3
125.01356	0.3
125.02473	0.8
129.32225	0.3
137.02428	0.3
152.01097	0.4
168.00653	0.4
200.35023	0.3
205.05092	0.3
289.07385	0.3
321.92709	0.4
386.19009	0.3
565.19623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03440	6.2
59.01381	45.2
61.98831	100.0
69.03464	2.1
69.54551	2.6
69.54950	7.5
71.01388	46.0
72.99317	1.7
73.02943	15.1
75.00862	1.8
76.46548	1.3
80.77345	1.3
83.01407	4.9
83.05057	2.0
85.02959	15.6
87.00886	3.7
88.98814	4.9
89.02450	30.7
90.41721	1.7
93.03475	1.6
95.01402	3.3
97.02945	2.1
99.00880	4.1
99.04536	1.5
101.02457	33.5
103.03996	1.8
108.02208	3.0
109.02941	2.6
113.02454	14.1
116.92865	2.0
119.03520	4.9
123.04513	2.2
124.01695	3.1
125.02479	8.1
131.03511	8.1
132.02187	2.9
134.03773	2.8
137.02466	6.9
143.03532	3.4
149.02467	4.7
149.04553	20.0
151.04095	1.5
152.01122	1.9
159.02986	2.1
160.01648	10.3
161.04582	11.9
163.06163	2.9
164.04797	3.7
165.01979	2.7
167.03540	3.3
175.00337	6.4
175.04002	13.0
189.05484	1.4
190.02710	19.1
191.03070	1.9
191.05626	4.1
193.05112	3.9
201.05600	1.5
205.05074	17.0
205.06979	2.6
223.06041	3.2
229.05067	2.5
241.05101	7.7
269.04605	1.8
293.08560	1.8
315.07471	1.8
371.20642	7.6
396.85336	1.4
401.15887	1.6
425.07828	1.5
503.24976	66.9
504.25381	6.2
563.11877	2.4
563.21619	25.6
563.30127	6.3
564.11493	1.4
564.21924	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	563.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03450	3.3
59.01377	9.8
61.74472	1.1
61.98816	4.2
69.74158	6.6
71.01382	13.9
72.02650	1.1
73.02959	6.1
74.99126	2.4
75.00871	1.4
79.66566	1.2
80.91841	1.0
83.01392	4.5
85.02959	6.0
87.00875	28.6
89.02429	6.3
89.36157	1.0
95.01395	4.3
97.02946	4.6
99.00893	8.2
101.02454	7.1
111.00882	6.8
112.98837	8.5
113.02446	4.8
119.03519	1.8
121.02969	1.1
123.00875	7.6
125.02464	8.4
127.00372	1.4
129.01953	4.8
131.03470	1.3
133.69150	1.1
135.04581	1.1
135.69867	1.1
137.02428	3.8
138.03214	5.4
142.99869	4.7
143.03395	1.6
145.01413	3.5
147.04494	1.4
149.02428	3.1
150.04179	1.5
151.00377	1.3
151.04022	2.2
153.05547	7.0
161.02426	9.1
163.03961	6.0
164.04831	7.1
165.01910	1.2
166.02744	5.0
173.00923	31.9
173.02347	2.6
174.01685	7.3
174.03069	1.9
174.71051	1.1
175.03987	4.7
176.04793	8.4
177.01941	5.0
178.06317	7.3
179.03488	11.1
179.05688	2.2
179.07088	10.5
180.42232	1.2
180.97314	1.0
181.05092	4.6
186.03383	1.1
190.02774	2.6
191.03531	10.1
191.07173	4.2
192.04121	1.4
193.08659	10.8
194.05841	13.7
195.06432	1.3
201.01921	1.1
203.03468	6.6
204.04175	1.2
205.05061	5.3
206.05779	7.3
207.03050	1.2
207.06581	2.5
209.08186	17.3
215.03545	1.9
218.05719	2.9
219.03026	3.8
220.03305	1.5
221.08224	9.0
229.01546	1.7
231.03000	2.9
233.04482	1.3
233.08098	1.8
234.05402	3.1
237.07661	2.1
241.05228	1.5
245.04597	1.9
247.02434	7.5
247.06091	1.3
249.07733	9.1
257.04535	3.8
261.04034	3.5
262.04782	15.4
265.07034	10.7
265.09421	1.2
266.13803	1.2
276.06415	4.6
277.07169	41.3
278.07480	3.3
279.08801	1.5
289.07214	3.6
291.08701	2.8
307.08249	7.0
325.09256	1.5
337.09262	28.4
338.09616	1.3
339.27798	1.2
383.09836	2.7
395.07742	1.7
407.07410	2.4
419.07825	3.0
427.12463	2.2
439.12491	2.3
487.14438	15.8
488.14633	2.3
545.10889	2.0
563.16223	100.0
564.16608	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	563.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	12.6
59.01384	23.4
59.02485	2.2
61.98835	86.8
63.99261	2.4
65.03919	2.2
67.01874	2.4
69.03439	3.3
69.35161	1.6
69.40806	11.6
70.48904	1.4
71.01386	15.4
72.99309	2.2
73.02956	7.5
75.00882	1.8
81.03451	5.2
83.01389	14.9
85.02943	5.5
85.28490	1.4
87.00889	3.2
87.11144	1.6
88.98821	2.2
89.02436	9.7
93.03453	4.3
95.05042	8.4
97.02956	6.0
99.00880	2.3
99.04566	7.5
101.02451	14.0
102.93918	1.5
103.03974	2.6
109.02946	4.7
111.00894	1.6
113.02441	3.7
119.03523	2.5
121.02975	4.3
121.78976	1.3
123.00834	2.5
123.04515	4.7
125.02458	56.2
127.52695	1.5
131.03503	2.2
137.01425	3.1
137.02452	59.7
138.02843	2.3
139.04033	4.1
143.03523	2.4
145.85826	1.9
149.02443	2.8
151.04016	11.1
159.04556	3.7
161.02383	2.1
161.04503	5.8
162.03172	1.8
163.00401	2.4
163.04012	2.6
163.06129	9.6
164.01172	6.2
165.01947	16.9
167.03506	35.5
173.06104	4.1
173.11700	1.6
175.04131	2.5
177.01788	1.5
177.05525	1.8
179.03493	6.6
179.05646	2.6
181.05049	9.8
185.06020	5.0
187.03961	3.7
188.04745	2.4
189.05548	5.7
191.03439	1.7
193.05011	1.8
197.06004	3.0
198.03241	1.9
199.04146	1.5
201.05620	11.5
202.06171	2.1
203.03487	2.7
203.07237	2.6
205.05070	2.7
205.07118	2.6
211.03998	5.0
212.04712	3.9
213.05580	19.6
214.02693	3.0
215.03494	9.1
216.04237	2.2
217.04977	7.6
225.05519	5.5
227.03398	5.8
228.04315	3.3
229.05061	19.1
230.05627	3.1
231.06548	7.2
237.05531	1.9
239.03523	4.3
240.04437	3.1
241.05070	100.0
242.02211	5.7
242.05415	5.7
243.02934	7.5
243.06535	1.9
249.05704	2.8
251.07014	2.5
252.04204	2.3
253.05054	13.3
254.05621	2.7
255.03043	1.9
256.03705	2.6
257.04565	34.9
258.04999	3.3
259.06107	5.9
263.07175	2.9
265.04962	3.9
267.06586	3.3
269.04550	32.7
270.05154	3.8
271.06351	2.3
277.04999	2.9
278.05676	2.1
279.06564	4.1
281.04648	11.8
281.07571	2.9
283.06003	1.8
285.03989	5.7
287.05652	2.8
291.06470	3.8
292.07364	3.1
293.04764	3.5
293.08298	5.5
295.05957	2.3
297.07538	2.3
299.05655	2.8
305.04782	1.9
307.06033	2.5
317.08191	1.6
319.05988	2.7
320.06705	2.2
321.07501	4.5
329.13953	3.1
333.07681	4.5
335.09338	3.9
337.07104	3.0
339.08594	2.0
345.07654	3.1
347.05621	3.5
351.08749	2.5
353.10352	2.5
361.07269	2.2
363.08679	4.0
371.20676	7.6
375.08682	3.3
377.06717	3.1
379.08234	10.7
381.09778	2.9
389.06613	8.0
395.07996	8.5
397.09308	7.7
401.06546	2.9
407.07599	12.9
419.07553	3.8
424.07944	4.9
425.08997	12.8
431.09985	2.1
437.08652	2.5
461.08212	1.7
477.12323	1.7
501.12274	3.5
503.24509	3.2
519.12903	5.1
527.24438	2.0
545.10980	11.4
563.11951	67.5
563.23346	7.4
564.12299	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	563.1403
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
50.77806	0.8
57.03432	1.6
58.00591	2.3
59.01384	46.9
60.36676	0.9
61.98822	1.6
63.02386	0.9
69.65431	5.5
71.01384	29.2
72.99316	3.2
73.02944	5.0
74.99056	0.9
75.00871	1.2
83.01375	2.3
85.02961	6.7
87.00888	3.3
89.02454	23.4
95.01399	1.1
98.19957	1.7
99.00938	1.1
101.02456	11.9
103.04027	1.6
109.02950	0.9
111.00880	11.3
113.02458	5.8
117.03474	5.7
119.03517	2.0
121.94068	0.8
125.02435	4.2
131.01408	2.2
131.03513	1.5
136.99146	1.4
139.07654	3.6
143.03427	1.1
149.04590	1.8
157.03046	0.8
159.02980	0.9
161.02425	0.9
161.04546	3.1
163.06114	4.9
165.01881	1.2
173.00986	1.8
173.02443	2.4
174.88976	1.4
175.00383	9.3
179.05637	0.8
184.52698	0.7
195.94707	0.7
197.78879	0.8
269.04556	6.5
281.04572	5.0
282.05246	4.6
283.02866	1.7
283.06107	4.9
285.04010	1.7
293.04575	100.0
294.04889	7.9
295.06155	2.6
307.06793	0.9
307.10306	1.9
311.05606	10.2
314.04480	1.6
323.05679	6.4
335.05670	2.3
339.77606	1.0
341.06540	4.7
353.06592	1.9
355.08115	1.4
357.15430	2.9
413.08801	52.6
414.09344	4.5
431.09430	1.4
443.09937	4.7
470.68265	1.0
503.21353	19.6
504.22083	1.5
505.06985	1.0
557.40277	0.9
563.14069	69.2
563.21869	3.2
564.14362	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	562.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68130	0.3
59.01384	7.5
60.01719	0.4
61.98834	100.0
63.90299	0.4
66.72649	0.3
69.72775	1.7
75.43290	0.3
102.66068	0.3
107.30527	0.3
129.21252	0.4
140.39365	0.4
148.22209	0.3
163.07573	0.3
196.47238	0.4
295.67252	0.3
370.24258	0.4
499.30646	1.3
550.56061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1195
Annotation	Theaflavin
Peak:m/z	Relative Intensity
53.03613	1.0
57.03224	1.2
57.03452	14.8
61.98829	5.5
64.24948	1.0
64.40961	1.0
65.03972	1.3
69.03465	2.6
70.88041	2.4
81.03473	7.0
83.01391	9.8
87.36658	1.0
90.06247	1.0
92.02809	1.0
93.03464	3.1
95.05013	8.5
97.02964	5.9
99.04534	4.5
107.05050	1.4
109.02940	5.5
113.06097	3.1
121.02953	3.1
123.00886	2.0
123.04518	2.9
125.02448	60.8
137.02448	56.6
137.03319	0.9
137.06026	1.7
139.03981	5.3
140.74675	1.3
149.02437	3.7
151.04018	12.9
157.06589	1.6
159.04486	2.4
163.00392	2.2
163.03998	1.7
164.01144	8.6
165.01935	21.1
167.03508	30.3
168.03838	1.6
169.06606	1.5
171.04561	1.3
173.06102	6.4
175.04066	1.9
177.01924	2.8
179.03497	7.0
181.05070	10.9
183.02995	2.6
183.04486	1.6
185.06090	4.6
187.03999	3.8
188.04713	1.3
189.05566	8.5
191.03606	1.1
195.04507	2.1
196.05098	1.2
197.02361	1.7
197.06081	3.3
198.03192	2.5
199.04005	3.5
201.05562	12.3
203.03493	3.1
203.07185	2.6
204.04346	1.9
205.05092	1.7
207.03224	1.2
209.06004	2.5
211.04056	6.3
212.04718	5.0
213.05569	19.9
214.02699	4.7
214.06042	1.2
215.03482	13.6
215.07121	1.5
216.04248	2.9
217.05008	8.4
221.06242	1.4
223.07541	1.3
224.04857	1.2
224.97940	1.0
225.05544	7.7
227.03545	7.0
228.04199	3.4
229.05052	22.5
230.02464	1.2
230.05508	1.7
231.06572	7.3
235.04105	1.7
237.05560	3.0
239.03540	3.3
239.07175	2.1
240.04279	6.4
241.05070	100.0
242.02214	3.8
242.05420	7.7
243.02956	8.6
243.06549	1.4
244.03680	2.6
245.04495	1.9
249.05650	2.1
250.06494	2.1
251.03432	3.5
251.07298	1.9
253.05087	14.2
254.05791	2.8
255.06627	2.2
256.03699	3.6
257.04541	33.2
258.05054	2.7
259.06070	8.0
263.03555	1.7
263.07095	3.8
264.04129	1.2
265.05026	4.2
266.05783	1.4
267.06577	2.9
268.03876	1.6
268.07394	1.2
269.04535	38.4
269.07697	2.2
270.04996	3.7
271.06281	2.9
274.06354	1.6
275.07095	1.4
277.05087	3.2
278.05786	2.2
279.06622	3.7
280.03790	1.9
281.04544	11.7
281.07950	2.1
282.05051	2.2
287.05862	3.4
290.05521	1.3
291.06662	4.3
292.07443	1.7
293.04562	4.0
293.08176	4.4
294.05380	1.7
295.06116	4.7
297.07700	2.7
298.08859	1.1
299.05664	2.4
303.06564	3.3
305.04681	1.3
305.08170	1.5
309.07718	3.8
311.09213	3.7
317.08121	2.3
319.06039	2.4
320.07065	1.3
321.07712	3.7
323.05624	2.6
333.07675	4.0
335.05707	1.6
335.09296	4.2
337.07147	1.8
339.08688	3.2
345.07645	2.5
347.05539	2.3
349.06891	2.5
351.08517	3.0
353.10190	2.9
355.08127	3.5
359.05612	2.1
361.07263	5.2
363.08786	5.9
365.06323	1.6
375.08823	1.4
377.06650	4.8
379.08038	11.6
380.08810	1.1
381.10016	3.0
389.06586	10.3
390.06915	1.6
393.09778	2.1
395.07629	7.8
397.09207	6.8
401.06543	3.3
407.07703	16.6
408.08200	1.7
419.07742	4.7
424.08105	4.2
425.08804	16.3
437.08960	2.6
459.10736	1.2
477.11746	2.3
479.09625	2.3
483.10977	1.4
501.11740	4.0
519.12762	5.5
527.09564	3.0
545.10858	10.8
563.11951	73.2
564.12250	8.8
571.82568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19373	0.3
59.01381	1.4
61.98832	100.0
63.75097	0.2
69.33209	1.3
69.33636	0.9
73.22979	0.2
85.14621	0.2
112.98490	0.2
114.33956	0.2
124.76712	0.3
133.00681	0.2
216.99292	0.2
301.61514	0.2
396.94568	0.2
462.58328	0.2
530.92749	0.3
562.33820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37777	0.2
57.03449	0.3
59.01385	3.7
61.98837	100.0
63.99271	0.7
69.54720	0.2
71.01385	1.5
71.54546	0.3
71.54898	0.5
72.71191	0.2
73.02965	0.5
77.18842	0.3
78.95905	0.3
83.01419	0.4
83.05025	0.3
84.73518	0.3
85.02988	0.5
87.00894	0.3
88.98817	0.4
89.02483	1.0
97.02934	0.3
99.00840	0.3
101.02446	1.0
109.02923	0.3
113.02477	0.6
114.09762	0.3
119.03545	0.4
123.00856	0.4
124.01709	0.6
125.02467	2.2
126.02795	0.3
126.51812	0.2
128.02814	0.2
128.68419	0.3
132.10092	0.3
137.02496	0.7
149.99597	1.4
160.01668	0.4
161.04646	0.3
168.00703	2.0
169.01120	0.5
174.92131	0.2
175.04047	0.4
181.81018	0.3
214.89267	0.3
241.05046	0.6
257.04590	0.3
285.04163	0.4
545.21442	0.4
562.20465	2.1
562.29144	0.8
563.18585	0.5
575.33020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.6
61.98832	100.0
62.54429	0.2
64.61684	0.2
69.34053	1.8
69.34435	0.3
98.19866	0.3
123.04759	0.2
134.58054	0.2
143.35197	0.2
251.71529	0.2
285.86411	0.2
540.44885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98832	100.0
64.69527	0.2
69.54826	0.5
69.55237	1.3
81.58356	0.2
87.08975	0.3
108.49711	0.2
109.79245	0.2
119.45686	0.2
120.01736	0.2
149.69771	0.3
340.56393	0.3
412.43698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98830	100.0
62.98527	0.3
66.13553	0.2
67.93566	0.2
69.46123	0.8
69.46552	1.1
69.73366	0.2
84.51929	0.2
89.02448	0.2
98.20618	0.5
154.60594	0.3
162.23898	0.2
213.05870	0.2
277.18600	0.3
277.21597	0.6
322.52866	0.2
371.79370	0.3
399.55423	0.2
408.09500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43727	0.3
55.99245	0.2
58.38899	0.2
61.98834	100.0
69.94994	0.4
69.95385	1.2
98.20600	0.4
102.46546	0.2
122.59022	0.2
230.28406	0.2
333.84732	0.3
417.46216	0.2
555.15125	0.3
587.07556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.70961	0.3
59.01380	3.2
61.98832	100.0
69.03460	0.2
69.37257	0.6
69.37663	1.5
71.01383	2.6
72.99310	0.2
73.02959	0.8
83.01392	0.3
85.02966	1.0
88.98852	0.3
89.02446	2.2
97.02959	0.3
99.00890	0.4
101.02448	2.0
109.02970	0.7
113.02490	0.8
119.03516	0.4
123.04480	0.3
125.02463	1.7
128.58594	0.2
131.03526	0.4
137.02435	0.6
143.03468	0.3
149.02547	0.3
149.04535	1.4
151.04002	0.4
152.01131	0.4
153.01955	0.4
161.04596	0.4
163.06209	0.3
167.03600	0.5
176.45872	0.2
177.02061	0.3
191.05692	0.3
241.04956	0.4
257.04459	0.3
269.04660	0.4
269.17654	0.4
285.03937	0.3
311.09583	0.3
371.20923	0.2
503.25314	0.9
562.11188	0.5
562.20447	0.8
562.28400	0.4
563.12299	0.4
563.27533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09634	0.3
52.82154	0.3
54.14385	0.3
59.01374	3.7
61.98833	100.0
64.90939	0.3
66.79379	0.3
70.20806	0.3
71.63706	0.4
72.31965	0.3
76.13641	0.3
87.30709	0.3
93.41988	0.3
127.39434	0.3
146.91910	0.3
194.37987	0.3
413.98132	0.3
457.98190	0.3
517.65259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67847	0.6
55.01880	3.5
57.03457	4.3
58.00602	4.2
59.01386	100.0
60.01721	1.1
60.78428	0.9
61.98837	43.2
66.24444	0.8
69.03455	0.7
69.28325	8.1
71.01389	68.1
72.01719	0.9
72.99313	6.5
73.02958	7.4
75.00877	1.4
83.01402	6.9
83.05061	0.8
85.02959	19.1
87.00881	4.3
87.04530	1.3
89.02452	71.6
90.02761	1.1
95.01390	6.0
97.02944	1.2
98.20655	1.2
99.00903	2.6
101.02453	48.4
102.02819	0.7
103.04042	0.7
108.13041	0.7
109.02897	1.1
111.00906	2.2
113.02457	25.8
119.03513	37.7
123.04516	4.2
125.02456	5.1
131.03514	4.8
132.02252	0.9
134.03748	2.9
137.02449	2.8
143.03522	5.9
149.04593	3.8
149.05962	0.7
151.04005	0.8
153.05611	5.1
159.03020	1.1
160.01628	4.7
161.02356	0.7
161.04584	7.5
163.06210	1.4
165.01881	1.0
175.04016	3.9
176.04765	1.4
177.01909	1.0
179.05630	10.7
191.07169	2.2
193.05061	5.8
217.18213	0.7
229.05019	1.4
235.06105	6.8
240.04512	0.8
241.05014	0.9
243.03003	1.1
255.02980	0.8
257.04626	1.9
265.07330	3.9
293.04642	0.9
293.51062	0.8
295.08295	2.7
315.10941	1.0
343.76996	0.8
355.10205	1.0
364.02518	2.1
365.06485	1.4
380.08856	2.2
389.55615	0.9
393.06400	1.6
399.23889	7.8
491.15018	0.8
501.30417	1.6
561.10455	3.3
561.29199	96.9
562.29590	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03437	2.0
58.00589	3.0
59.01380	100.0
61.98830	22.1
69.03455	3.5
69.50127	5.3
69.50539	2.3
71.01385	39.1
72.99313	3.2
73.02946	14.9
74.24763	0.9
80.96610	0.9
81.03453	3.4
83.01389	4.9
85.02953	13.5
86.96838	1.0
87.00901	2.4
89.02444	28.3
89.02995	1.7
89.35249	1.1
95.01381	2.5
97.02961	5.7
99.00885	2.5
99.04513	1.7
101.02448	39.3
103.04015	24.0
108.02206	1.7
109.02976	2.7
113.02445	4.6
116.69698	1.1
119.03511	13.7
119.30604	0.9
125.02454	28.7
127.04031	2.0
131.03514	3.4
135.04503	7.0
137.02435	1.7
143.03487	3.7
145.05057	4.3
149.04515	3.4
151.04050	1.4
151.31526	1.0
152.01141	1.5
161.04523	2.2
163.04004	46.6
163.06110	24.9
164.04248	1.1
178.06366	43.4
179.06683	1.6
193.08707	27.7
194.08975	1.4
194.36424	0.9
205.07127	2.4
247.08353	5.9
255.10262	1.3
307.10370	14.0
409.64911	1.3
415.23114	2.0
419.15942	1.2
436.42117	1.1
561.19781	1.5
561.28540	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	561.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.40765	0.8
57.03445	1.0
58.00593	2.2
59.01379	100.0
60.01696	0.7
61.98822	3.3
65.77226	0.9
67.35964	0.8
69.03456	3.8
69.53970	4.1
69.54385	1.5
71.01384	39.3
72.99306	2.9
73.02948	16.8
81.03453	3.6
83.01393	5.0
85.02949	14.1
87.00873	2.1
87.04456	0.7
88.98798	2.5
89.02441	26.8
95.01389	2.1
97.02947	5.1
99.00867	2.2
101.02446	32.8
103.04012	27.3
105.76933	0.8
108.02148	0.9
109.02914	0.9
113.02430	2.4
115.04012	1.7
119.03503	11.8
121.03008	1.3
125.02444	30.1
127.03999	3.1
131.03499	1.2
135.04491	3.4
143.03499	3.5
145.05043	3.9
149.04552	1.9
152.01102	1.3
153.01755	0.9
161.04532	0.9
163.04018	23.7
163.06096	22.9
178.06345	17.0
193.08708	11.2
205.07204	1.9
230.95718	0.8
247.08206	10.8
307.10370	16.9
344.00540	0.8
442.30005	0.8
561.19830	1.2
561.28693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00619	2.3
59.01384	61.0
61.98830	3.5
69.59672	14.3
71.01381	42.0
73.02949	15.9
84.57265	2.1
85.02927	4.8
89.02452	100.0
99.00880	25.3
101.02454	38.6
113.02454	5.5
125.02459	4.2
131.03519	20.3
139.30396	1.9
143.03497	3.9
148.52849	2.1
149.04553	71.6
149.53619	1.9
161.04547	4.2
191.05612	18.5
221.06702	6.1
251.07787	4.4
293.08661	2.6
311.09869	3.4
323.29532	2.5
415.78595	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	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.0
59.01381	75.9
61.98834	2.5
69.32702	10.0
70.89352	1.2
71.01382	61.9
72.99310	3.5
73.02953	12.5
75.00885	1.2
75.03029	1.1
76.04948	1.0
78.14506	1.1
78.93057	1.1
80.03168	1.1
82.00193	1.3
83.01404	2.1
85.02953	9.7
87.00858	2.2
89.02444	100.0
90.02777	1.3
97.02945	1.4
99.00903	1.5
99.88879	1.1
101.01768	2.6
101.02441	54.0
113.02447	14.1
119.03513	7.1
125.02444	3.3
131.03513	31.1
137.09706	3.4
149.04556	93.9
150.04782	1.9
161.04539	3.7
191.05615	15.1
218.77818	1.3
221.06573	1.4
293.08859	1.4
298.76407	1.4
311.09723	2.9
311.70612	1.2
374.77783	1.3
455.71246	1.4
460.44733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1975
Annotation	Saframycin A
Peak:m/z	Relative Intensity
55.01860	1.3
57.03435	2.2
59.01380	31.7
61.98832	100.0
69.03446	2.7
70.42044	2.5
71.01384	13.6
73.02946	2.8
74.13180	0.7
78.95916	0.7
81.03463	1.8
83.01420	3.7
83.05016	2.0
85.02946	5.2
87.00870	1.6
89.02448	9.0
93.03449	1.5
93.49700	0.7
95.01392	1.8
97.02955	3.1
99.00871	1.6
101.02454	10.9
107.01389	1.6
107.05014	0.9
108.02166	1.3
109.02959	1.8
109.06614	0.8
110.81437	0.8
111.04514	1.3
113.02452	6.8
119.03490	2.8
121.02981	1.8
121.06625	1.0
123.00901	5.6
123.04457	1.2
124.01671	15.3
125.02450	45.8
126.02800	1.9
127.07718	0.8
131.03519	1.1
137.02455	4.2
137.06137	1.3
137.09706	2.4
139.03989	1.1
143.03441	0.9
145.02847	1.0
147.08113	1.3
148.01646	1.9
149.99591	26.9
151.00372	2.2
152.04718	0.7
161.04585	3.7
165.01924	1.3
165.09157	0.8
166.72441	0.8
167.03522	1.9
168.00641	51.7
169.01343	3.8
171.10303	1.2
175.03918	1.1
176.01160	11.7
177.01830	1.0
179.05611	2.2
181.08670	2.5
181.12259	1.1
187.11229	2.2
191.03497	9.2
203.14345	2.3
221.06563	1.1
225.11342	3.6
247.13266	1.7
257.04437	1.2
261.11328	1.0
281.13535	0.9
291.12256	1.0
313.05533	5.5
315.18384	0.9
331.06702	11.8
399.23682	1.4
474.18320	0.9
485.27045	0.9
501.30844	4.3
561.19708	85.7
561.28058	8.2
562.20081	12.7
562.28149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1401
Annotation	Fisetinidol-(4beta->6)-robinetinidol
Peak:m/z	Relative Intensity
57.03441	7.3
59.01382	11.3
61.98830	7.7
64.63665	0.6
69.03450	1.4
69.60841	3.4
71.01382	6.5
73.02946	2.5
81.03462	2.3
83.01396	6.5
85.02947	2.9
87.00885	1.5
88.04934	0.7
88.98797	0.7
89.02444	10.2
93.03467	3.8
95.05054	3.3
96.96025	1.7
97.02953	7.0
99.00889	1.7
100.00416	0.9
101.02443	8.2
103.04029	1.4
107.05014	1.0
108.02194	1.4
109.02956	23.0
111.00888	2.1
111.04567	1.0
113.02447	1.8
117.03413	1.1
119.03513	1.1
121.02980	3.7
122.03731	1.4
123.00849	0.7
123.04532	15.8
124.04826	1.0
125.02449	35.8
126.02757	1.0
127.07674	0.7
131.03505	1.9
131.05005	0.8
132.84120	0.6
133.02956	3.6
135.04520	2.1
137.01422	1.5
137.02444	27.2
138.03325	0.8
139.04024	3.7
143.03500	1.3
144.25443	0.7
145.02904	1.9
146.03737	1.7
147.04579	1.0
149.02441	6.5
149.04536	4.1
150.03220	1.7
151.04013	10.2
157.06631	0.7
159.04497	2.9
160.05333	1.7
161.02484	4.6
161.04527	2.5
161.06087	5.6
162.03207	2.1
162.06346	0.8
163.00375	2.0
163.03967	2.5
163.06128	4.4
164.01166	13.9
165.01950	5.8
167.03493	2.6
173.06067	1.6
175.03963	5.0
175.07619	2.1
177.01929	4.7
177.05550	0.7
179.03491	6.5
179.05591	1.2
184.05283	0.7
185.06081	1.9
187.03993	5.8
188.04825	3.9
191.05592	1.3
199.07654	1.0
201.05533	1.5
202.06340	2.1
203.03545	1.1
203.07141	12.5
204.07538	0.9
205.01379	3.4
205.05060	7.8
209.06235	0.8
212.04732	1.0
221.08186	2.4
225.05391	0.8
227.07158	3.1
228.04303	0.8
229.05096	1.2
229.08585	0.8
231.02856	1.1
243.06650	0.8
245.08192	16.3
247.06146	1.1
255.02998	0.9
256.03696	1.4
265.09067	0.8
271.06113	13.2
271.08801	1.2
273.07767	5.1
285.03995	0.7
289.07184	100.0
290.07504	5.7
328.05930	1.2
329.06580	2.0
339.08398	0.9
355.29337	0.7
407.07660	9.2
409.09018	1.6
423.11105	0.9
435.10840	7.9
451.10400	1.0
494.47458	0.8
509.52020	0.7
517.33990	0.9
543.13135	1.3
561.13934	10.5
561.28278	3.1
562.14594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11134	0.6
57.03451	6.5
59.01380	3.9
61.98838	4.0
67.01887	1.0
69.03450	0.8
69.58794	4.2
71.01389	3.4
73.02924	1.2
74.99097	2.9
81.03462	2.9
83.01398	4.6
85.02960	1.0
87.00871	1.1
89.02457	2.7
93.02919	0.5
93.03458	4.3
95.01408	1.0
95.05058	3.5
96.96022	1.0
96.96969	0.7
97.02958	8.2
101.02448	1.8
107.05034	0.9
108.02179	1.1
109.02954	21.7
111.00861	3.4
113.02431	1.8
119.03502	1.1
119.05052	0.6
120.02109	0.7
120.99646	0.7
121.02934	3.5
122.03712	1.4
123.00880	0.7
123.04529	17.2
125.02449	40.3
131.05017	0.9
133.02956	3.5
135.04546	3.3
136.99107	1.6
137.02452	18.1
138.03224	1.2
139.04034	4.3
139.04953	0.8
145.02965	1.6
146.03766	1.4
147.04532	1.7
149.02477	6.0
150.03246	0.9
151.03999	9.1
154.30472	0.7
154.76784	0.6
157.06577	0.9
159.04523	3.3
160.05270	0.9
161.02499	3.7
161.04825	0.8
161.06062	4.7
162.03175	1.7
163.00388	3.1
163.04010	3.2
164.01151	15.1
165.01933	6.2
166.02702	1.1
166.92627	0.6
167.03491	2.6
173.00897	0.6
174.03168	1.0
174.89017	0.9
175.02637	0.9
175.04013	5.3
175.07655	2.0
176.01067	1.1
177.01967	6.2
177.05658	0.9
179.03500	6.0
179.05048	0.8
179.05566	0.8
184.05287	0.8
185.06058	2.5
187.03998	5.9
187.07626	1.1
188.04779	3.4
189.05621	1.3
199.07614	1.5
201.05548	1.8
202.06410	2.0
203.03551	0.9
203.07143	13.0
204.07391	1.0
205.01413	6.1
205.05034	8.2
211.03949	0.8
215.03580	1.1
221.08234	2.8
227.07098	1.8
228.04312	1.0
229.05138	1.2
229.08665	0.7
230.05783	1.1
231.02986	0.9
239.25751	0.6
245.08177	17.8
246.08484	0.7
247.06091	1.1
253.04932	0.9
255.03091	1.6
256.03729	1.3
257.04495	0.7
269.04666	0.7
271.06113	13.3
273.07626	8.7
281.04590	1.1
283.06161	1.3
289.07181	100.0
290.07556	6.6
311.05289	0.7
328.05759	3.1
329.06592	4.5
339.08768	1.0
359.15103	0.9
381.09689	1.3
407.07693	11.4
408.08228	1.1
409.09000	0.7
425.08694	1.2
435.10840	12.3
436.11276	1.7
525.12451	0.8
543.12823	2.6
548.15820	0.7
561.14038	5.7
561.22211	1.3
562.15308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23614	0.4
57.03212	0.7
57.03454	6.4
59.01380	1.8
61.36509	0.4
61.98825	2.8
69.03468	1.1
71.01387	1.0
71.13529	0.5
71.62760	0.7
71.83455	0.5
74.05799	0.5
74.99071	0.8
78.95931	0.5
81.03458	2.6
81.12256	0.5
83.01379	5.1
85.02954	0.8
87.00863	0.9
89.02443	1.1
93.03469	3.0
95.01405	1.6
95.05020	2.7
97.02950	6.8
99.04552	0.5
101.02444	1.2
105.19711	0.4
107.05013	1.0
108.02188	0.6
109.02953	19.7
111.00871	2.3
111.04519	0.8
111.36717	0.4
113.02463	1.1
119.05020	0.5
121.02955	4.1
122.03761	1.3
123.00851	0.6
123.04527	17.1
124.01663	0.8
125.02451	41.6
126.02836	0.9
131.04982	0.6
133.02959	3.4
134.03737	0.7
135.04541	3.4
137.02446	17.6
138.03275	0.7
139.04007	4.8
145.02928	1.0
146.03748	1.1
147.04550	0.7
149.02432	6.1
150.03189	0.6
151.04008	10.2
157.06581	1.5
159.04553	2.9
160.05231	1.1
161.02454	4.6
161.06076	5.7
162.03224	2.4
163.00362	3.3
163.03999	2.1
164.01164	15.2
165.01929	6.6
166.02684	0.5
167.03470	3.0
173.06049	1.1
174.03127	0.7
175.04015	4.8
175.07619	2.2
177.01953	5.9
177.05586	0.6
179.03487	5.8
185.06087	1.6
187.04024	5.5
188.04761	3.9
189.05492	1.5
199.07669	1.1
201.05573	1.2
202.06329	2.6
203.03514	1.1
203.07155	12.7
204.07547	0.6
205.01427	5.0
205.05055	7.4
212.04733	0.9
217.05270	0.7
219.03156	0.6
221.08208	3.1
227.03506	0.7
227.07159	2.1
228.04239	0.9
229.05057	1.6
229.08710	1.2
230.05788	1.0
231.03047	1.0
231.06621	0.6
245.08195	15.5
246.08522	0.6
247.06157	1.2
253.04994	0.6
255.03026	1.3
256.03729	0.8
257.03885	0.6
269.04568	0.7
271.06152	12.2
272.06537	0.7
273.04492	0.7
273.07654	7.5
281.04712	0.7
283.02676	0.7
283.06183	1.4
289.07196	100.0
290.07578	6.2
312.06302	0.6
328.05939	2.2
329.06628	3.9
339.08789	1.3
381.09769	1.4
395.02115	0.6
407.07742	11.9
408.08090	1.0
409.09561	0.9
422.71835	0.6
425.08722	1.7
435.10858	12.2
525.12115	0.6
543.12927	2.2
561.14160	4.3
561.25720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01382	2.7
61.98830	100.0
62.98521	0.3
63.03243	0.1
63.99287	0.2
70.66930	0.3
70.67277	0.2
71.01385	1.5
73.02957	0.5
83.01385	0.2
85.02968	0.6
87.00883	0.2
89.02436	1.4
99.04520	0.3
101.02426	1.4
108.02175	0.3
109.02968	0.3
113.02466	0.6
123.04623	0.2
125.02451	0.5
130.21487	0.2
131.03438	0.2
134.03740	0.2
137.02429	0.3
143.03561	0.2
147.80496	0.1
149.04582	0.2
160.01657	0.2
161.04649	0.2
165.01987	0.3
167.03471	0.1
174.81534	0.2
179.05685	0.2
225.98477	0.1
255.03134	0.2
257.04593	0.2
270.65317	0.1
362.01273	0.3
399.24048	0.2
399.29443	0.2
500.29620	0.2
501.30124	0.3
560.27649	0.4
561.10645	0.3
561.19519	0.4
561.28833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03443	1.7
58.00595	0.8
59.01382	16.3
61.98832	100.0
62.98553	0.5
67.53389	0.3
68.99566	1.6
69.03453	0.6
70.33444	1.2
71.00989	0.7
71.01383	13.3
72.99316	1.0
73.02946	4.0
75.00889	0.7
78.95931	0.3
81.03455	0.7
83.01392	2.5
85.02954	4.0
87.00878	1.2
87.04527	0.7
88.98838	0.8
89.02445	13.8
89.02991	0.7
93.03471	0.5
94.45092	0.3
95.01408	0.9
95.04999	0.4
97.02956	1.5
99.00879	2.2
99.04598	0.4
101.02444	11.7
103.04054	1.2
105.09988	0.3
107.05019	0.5
109.02991	0.8
112.98566	2.3
113.02462	3.6
113.06179	0.4
113.11623	0.3
119.03507	2.7
121.03016	0.6
123.04502	0.4
124.01652	0.4
125.02446	5.7
131.03493	2.8
132.02170	0.8
134.03761	2.0
137.02499	1.9
143.03513	1.3
149.04562	4.9
149.06006	0.7
151.00452	0.4
151.04028	0.6
157.93227	0.4
160.01683	2.4
161.04550	2.4
163.06195	1.8
163.07381	0.4
164.01118	0.5
165.01958	0.8
167.03531	0.4
168.00729	0.7
175.03973	2.2
179.05559	1.8
191.05640	0.8
191.07222	0.5
192.06801	0.4
193.05075	2.7
205.07240	0.7
206.99843	17.0
208.00194	0.5
212.04939	0.4
229.05063	0.5
233.06570	0.5
233.08708	0.5
235.06104	1.7
249.00832	0.6
257.04614	0.8
265.07138	0.9
275.07578	0.4
285.03952	0.8
293.08701	1.7
295.08282	1.3
325.20187	0.7
399.23666	2.1
415.23578	0.8
423.07065	0.4
501.09561	0.5
501.23660	1.4
501.30780	1.2
561.10297	0.7
561.29211	7.6
562.29413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82517	0.2
57.03451	0.3
59.01384	3.7
61.98835	100.0
62.98550	0.2
71.01386	2.6
71.62537	0.2
72.99326	0.3
73.02958	0.6
75.94394	0.2
80.14536	0.2
83.01392	0.4
85.02982	0.7
87.00886	0.2
89.02453	2.3
95.01377	0.2
97.02980	0.2
99.00889	0.3
100.06924	0.2
101.02447	2.0
113.02439	0.9
114.47749	0.2
119.03549	0.5
121.02991	0.2
125.02483	1.4
131.03497	0.5
137.02448	0.2
144.04596	0.2
149.04587	0.7
160.01631	0.3
161.04587	0.4
163.06190	0.2
175.04022	0.4
192.06790	0.4
193.05104	0.5
206.99838	2.9
280.51819	0.2
293.08957	0.4
307.47653	0.2
325.20288	0.2
560.27020	0.3
561.10248	0.4
561.29211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98830	100.0
64.22644	0.2
69.03459	0.3
71.01367	0.5
72.74497	0.2
73.02954	0.2
75.00887	0.3
87.00893	0.2
98.19862	0.4
101.02469	0.3
112.37893	0.2
113.02481	0.2
125.02491	0.3
130.81956	0.2
131.03435	0.2
140.02486	0.2
145.04163	0.2
161.04608	0.3
501.30618	0.3
542.19220	0.6
561.27985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
59.91293	0.2
61.98832	100.0
71.01389	1.3
72.99333	0.3
73.02953	0.2
76.82259	0.2
85.02980	0.5
89.02431	1.1
98.20631	0.4
101.02457	0.8
102.15177	0.2
109.02970	0.2
113.02450	0.4
119.03490	0.2
125.02458	0.5
126.90412	0.4
128.90186	0.6
129.01949	0.2
137.02455	0.2
149.04550	0.4
153.68532	0.2
161.04558	0.3
231.29791	0.2
289.07208	0.2
351.41144	0.2
381.13480	0.3
500.20746	0.2
500.29074	0.2
561.28931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66832	0.2
52.20950	0.2
55.01881	0.2
56.47741	0.2
57.03451	0.3
59.01387	6.6
60.01722	0.5
61.98836	100.0
62.98562	0.3
63.53330	0.2
63.99239	0.3
69.03479	0.3
70.82739	0.4
71.01392	2.1
72.99339	0.4
73.02959	0.7
81.03480	0.3
83.01395	0.5
83.05056	0.7
85.02950	0.9
87.00880	0.3
89.02459	1.3
97.03000	0.4
99.00901	0.3
101.02463	1.8
101.06081	0.2
102.02809	0.2
109.02959	0.2
111.04522	0.2
112.30540	0.2
113.02479	0.7
119.03507	0.5
123.00891	0.3
123.04515	0.3
124.01704	0.8
125.02478	2.4
126.02839	0.6
127.04015	0.5
127.07697	0.2
129.05598	0.4
130.91495	0.2
137.02490	0.6
149.99619	1.1
151.00052	0.3
161.04530	0.5
163.06183	0.2
168.00653	1.6
169.01093	0.8
179.05621	0.3
184.51378	0.2
207.34464	0.2
228.11281	0.2
235.68246	0.2
357.26709	0.3
450.19824	0.2
455.33804	0.3
456.34320	0.8
481.31955	0.4
482.32425	0.7
501.23495	0.5
542.34399	0.3
560.18378	4.6
560.26001	0.6
560.35547	0.5
561.10791	0.3
561.18878	0.4
561.28644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03462	1.3
59.01387	100.0
60.01712	0.7
61.98837	64.9
68.99928	0.5
71.01398	5.9
71.05056	0.5
71.62856	0.7
72.33606	0.5
72.99304	0.7
73.02956	4.0
75.00910	0.6
83.01397	0.7
83.05033	11.5
83.05521	0.7
85.02959	2.4
87.00887	0.6
87.04053	0.5
87.04549	1.9
89.02448	3.1
91.94943	0.5
95.01407	0.7
96.96027	0.5
99.04529	3.0
99.08183	2.0
101.02457	4.2
101.06084	1.3
111.04534	7.2
111.08237	0.5
113.02487	2.2
113.09711	0.9
119.03531	1.5
123.08185	1.7
125.02481	1.3
127.04030	17.9
127.07667	8.0
129.05595	9.5
133.06650	0.5
137.02489	1.2
137.09741	0.6
141.09253	3.1
143.10808	0.9
148.01637	0.6
151.11331	0.8
152.04854	1.6
153.02061	0.5
153.09216	0.7
156.03827	0.5
161.02415	0.6
161.04626	1.4
165.09232	1.1
176.01166	5.4
177.02019	0.7
179.10780	1.1
191.03508	5.5
191.10892	1.3
216.13814	0.5
217.14529	2.2
271.02512	0.6
331.24908	0.7
369.26501	1.0
387.27744	1.6
397.21976	0.9
403.30908	1.0
423.07437	1.7
437.32959	1.7
455.33792	31.6
456.33997	3.2
481.31714	20.5
482.32291	2.0
497.34976	1.6
499.33600	3.1
500.33524	0.7
515.36237	0.6
541.34033	7.0
542.33752	0.9
559.26178	6.7
559.35156	8.4
560.26630	0.8
560.35248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
58.00578	0.9
59.01381	100.0
60.01720	0.7
61.98832	92.6
68.58733	0.8
69.03457	0.9
69.46833	1.9
69.47257	4.4
71.01382	6.5
71.05019	1.5
73.02948	4.7
75.00893	1.2
83.01411	1.8
83.05032	11.5
85.02970	2.1
85.06603	1.2
87.00899	0.9
87.04534	2.8
89.02460	3.6
91.78421	0.7
97.06612	1.3
98.20663	0.7
99.04532	3.3
99.08163	1.7
101.02442	5.2
101.06087	1.8
111.04510	7.5
113.02460	2.2
113.09723	0.9
119.03489	1.6
123.08168	1.1
125.02465	2.0
127.04020	17.7
127.07655	7.5
129.05583	8.6
138.03282	0.8
141.09204	3.5
145.03018	0.9
147.08156	0.8
148.01666	0.8
151.11244	0.8
152.04836	1.6
153.09258	1.5
161.04564	2.0
167.10880	0.9
175.11366	1.1
176.01158	7.2
179.05650	0.8
191.03510	7.2
199.78926	0.8
203.07443	0.9
217.14511	1.4
219.17619	0.9
275.14154	0.8
369.26392	0.9
397.22385	1.2
419.38474	0.8
423.07239	1.0
437.32800	2.0
455.33807	32.6
456.34250	2.0
473.56296	0.8
481.31702	21.7
482.32480	2.6
497.35168	2.4
499.32715	2.7
515.35748	0.9
541.33929	5.6
559.17419	1.2
559.26239	6.7
559.35089	8.0
560.27051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43691	0.9
57.03449	1.5
59.01388	32.5
61.98837	26.7
69.03484	1.1
69.73232	0.8
70.11333	0.9
71.01381	0.9
73.04234	1.0
78.95914	0.9
85.30134	1.0
87.00896	0.9
87.75506	0.9
99.08191	1.8
141.12860	3.1
155.14415	1.1
241.21794	1.9
244.55624	1.0
245.11786	1.2
269.21252	21.9
270.21640	1.4
277.21716	1.4
285.20822	2.6
287.22287	100.0
288.22592	6.9
367.54776	1.1
424.98694	1.0
483.58157	1.0
497.28848	1.5
502.31165	1.0
557.36511	4.4
557.44269	83.8
558.44684	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	559.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	90.4
61.98839	35.7
69.10114	4.0
71.01386	62.3
71.62447	7.1
71.92944	4.1
72.99301	6.7
73.02961	13.5
73.04085	5.3
75.00858	6.7
76.30635	5.1
83.05029	9.6
85.02934	23.1
89.02458	49.8
93.03410	6.2
95.01405	7.4
95.05038	9.0
96.95988	6.7
97.02979	7.3
97.06630	5.0
101.02448	28.3
108.02175	7.2
109.02954	13.3
111.00884	6.4
111.04517	11.9
113.02444	18.5
116.92841	7.0
119.03506	20.1
121.02959	11.1
122.03732	11.8
123.04521	14.3
125.02454	17.1
125.06094	12.2
130.08763	10.3
135.04529	14.3
137.06079	25.4
139.03987	7.1
139.07661	12.7
141.05556	13.1
143.03546	5.0
145.81581	5.1
151.04002	6.8
152.01135	6.4
153.05510	24.6
153.34982	4.2
155.07158	10.4
161.02422	6.6
161.04555	5.1
163.04022	6.1
165.05556	6.6
169.02553	16.2
172.09644	6.3
175.07712	4.9
175.11269	10.6
176.04776	6.0
177.01936	6.7
177.09239	36.7
179.05656	4.7
179.07057	5.3
181.05087	26.2
181.08707	5.5
183.06718	6.0
191.07100	6.8
191.10738	7.0
203.10904	7.3
219.10246	13.3
233.11841	47.7
247.09848	22.0
249.11282	13.4
255.02972	10.5
265.10785	5.4
273.04166	4.4
277.10818	16.7
295.11893	90.9
296.12268	6.3
299.16455	9.6
343.15497	19.8
354.11499	4.3
361.16586	81.2
362.17142	5.8
379.08917	4.2
379.17627	92.4
380.17853	9.0
479.11914	9.4
518.27924	4.5
541.07690	7.1
559.09717	8.6
559.16705	8.1
559.24115	100.0
560.24133	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	557.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.00592	0.4
59.01383	100.0
60.01709	1.2
61.98835	19.4
62.19851	0.4
65.49067	0.4
69.03468	0.6
69.46329	2.6
69.46743	0.8
71.01392	6.3
71.05032	0.5
73.02941	4.0
75.00896	1.3
83.01405	0.8
83.05035	10.6
85.02935	2.0
85.06589	1.1
87.00920	0.5
88.20925	0.4
89.02455	2.8
97.06602	0.8
99.00899	1.1
99.04505	2.6
99.08160	0.9
101.02442	4.0
101.06110	1.3
109.06689	0.4
111.00920	0.5
111.04529	7.4
111.08167	0.7
113.02438	2.8
113.06139	0.4
119.03509	1.3
123.08168	0.9
125.02476	0.9
125.09725	0.6
126.21610	0.4
127.04021	12.9
127.07652	3.8
128.04410	0.4
129.05582	8.2
129.09251	0.8
130.61714	0.4
137.02435	0.6
138.03220	0.5
139.07678	1.1
141.09244	4.0
143.03458	0.5
151.11293	0.6
152.04732	1.0
153.09230	0.8
155.10844	0.5
159.03009	0.7
161.04559	5.6
173.11823	0.7
176.19594	0.4
179.05714	0.5
195.13756	0.4
203.10837	1.2
261.18805	0.5
329.23367	0.6
333.15680	1.0
335.22351	0.8
341.90906	0.4
359.17145	0.5
367.25113	0.6
385.26053	0.9
401.29474	0.8
414.14716	0.5
414.42136	0.4
417.29623	0.5
425.32703	0.5
427.27405	0.4
435.31293	1.2
453.32202	26.1
454.32672	2.4
479.30154	25.5
480.30612	2.0
495.33707	1.6
497.28030	4.3
539.32214	5.8
540.32544	0.7
550.95557	0.4
557.25708	0.5
557.33545	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	557.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93661	0.5
51.17108	0.5
55.68739	0.5
57.03447	0.5
59.01385	48.3
60.01721	0.9
61.98837	61.3
69.64288	3.8
71.01389	8.4
73.02943	1.8
83.01408	0.9
85.02964	2.9
87.00882	0.8
89.02454	7.6
93.47289	0.5
95.01408	0.5
98.20658	1.2
101.02450	6.0
108.57641	0.6
113.02458	5.6
119.03500	3.9
125.02425	0.9
126.63300	0.6
161.04602	4.2
179.05615	2.5
304.27563	0.6
335.22305	100.0
336.22647	11.0
349.23868	0.8
377.23431	1.3
472.23410	0.8
497.27927	6.3
498.28601	0.6
557.27277	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
58.15292	0.5
59.01382	100.0
60.01732	1.3
61.98831	12.9
71.63089	0.8
75.00931	0.5
83.05032	8.9
86.40116	0.5
148.52219	0.6
157.95439	0.5
203.14352	0.5
217.12370	0.7
247.13478	0.7
278.11630	1.1
280.22812	0.5
451.28323	3.0
452.29031	0.7
460.12048	0.6
469.29626	11.9
469.35800	0.7
470.30353	1.5
479.28378	0.6
497.29138	10.8
497.36133	0.9
498.29703	1.6
557.33038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98831	100.0
62.98546	0.2
65.79751	0.1
71.32304	0.2
78.95925	0.7
79.74541	0.1
116.92854	0.2
119.30139	0.1
145.49924	0.1
152.99591	0.4
178.02428	0.1
224.07018	0.2
255.23286	1.7
256.23581	0.6
257.23987	0.5
287.22287	0.7
420.13354	0.1
448.46594	0.1
480.30984	1.2
482.31961	0.2
483.31754	0.5
557.32697	0.3
557.44086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.9
60.01704	0.5
61.98833	19.4
68.99586	0.5
71.01391	4.2
72.99289	0.9
73.02946	1.5
75.00877	0.7
83.01395	0.8
85.02946	1.6
87.00877	0.7
89.02469	3.1
95.01394	0.4
97.02959	0.5
101.02448	2.9
112.98557	0.9
113.02456	2.1
119.03497	1.3
125.02432	0.9
161.04570	1.5
173.27327	0.4
287.77753	0.4
317.21420	0.5
329.65268	0.5
335.22299	100.0
336.22665	9.2
393.14197	0.4
497.27524	5.5
498.28424	0.6
511.24606	0.4
518.62787	0.4
521.33032	0.6
557.30084	1.8
558.29797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2961
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
50.53447	0.7
53.33164	0.7
57.03449	1.0
58.00592	2.1
59.01381	100.0
60.01718	0.9
61.98829	15.0
66.13705	0.6
69.63182	4.9
71.01385	33.3
71.05046	0.7
72.99312	2.1
73.02946	2.5
74.50436	0.7
81.71927	0.7
83.01378	1.3
85.02961	5.1
87.00895	2.2
89.02445	52.9
90.02764	0.7
95.01401	1.5
97.02943	1.0
99.00926	1.1
99.04545	1.4
101.02448	20.0
113.02451	15.9
118.06554	0.8
119.03507	21.9
125.02450	2.1
131.03543	2.5
141.00198	1.8
143.03493	6.4
149.04573	2.8
161.04567	10.3
179.05608	31.6
189.91765	0.7
216.35152	0.7
224.75160	0.8
225.05623	1.2
255.03221	1.1
269.04608	3.6
269.85901	0.8
335.22269	29.4
336.22455	4.0
351.20206	1.1
407.08020	0.9
475.37067	0.9
497.27423	13.2
498.27737	0.9
557.29767	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	557.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.0
58.00593	3.2
59.01382	100.0
59.27484	1.0
59.57066	0.9
61.98836	47.6
66.15080	1.2
69.03465	1.3
71.01382	29.0
72.99302	5.6
73.02951	22.8
75.00891	1.8
78.88482	1.0
83.05041	1.3
85.02946	10.7
85.11491	1.0
86.00113	1.7
87.00892	8.4
87.04530	2.9
89.02446	25.4
94.98048	1.1
95.01387	1.2
97.02966	1.4
99.00878	1.4
99.04542	1.5
101.02446	56.1
102.02766	1.7
103.04014	24.5
108.02165	1.7
113.02437	4.5
115.04009	4.7
119.03503	12.9
123.04522	1.7
125.02427	4.3
127.04028	2.5
131.03503	8.5
135.04567	1.3
137.02463	2.5
143.03499	10.5
145.05086	7.8
151.04037	1.9
152.01111	2.2
161.04546	2.4
163.06133	86.0
164.06485	1.5
165.05516	1.4
167.03543	1.6
183.10222	2.7
189.09418	1.2
197.35909	1.2
205.07155	18.7
206.07448	1.2
221.27533	1.0
235.08081	1.4
240.38719	1.2
265.09302	7.7
279.12125	1.4
285.04016	1.4
325.11423	1.1
497.24405	1.7
557.24304	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	556.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29942	0.2
59.01383	2.7
60.41649	0.2
61.98838	100.0
69.40082	2.0
71.01396	1.3
73.02952	0.4
75.00845	0.2
82.62277	0.3
83.01429	0.3
85.02982	0.5
87.00879	0.2
89.02466	0.8
93.03487	0.2
98.20683	0.4
101.02470	1.0
111.00872	0.2
113.02474	0.7
119.03513	0.5
125.02489	0.4
125.50625	0.2
132.46762	0.2
161.04514	0.4
161.67287	0.2
172.21338	0.2
179.05687	0.2
199.44662	0.2
323.88507	0.3
335.22241	1.5
496.26581	0.3
497.27588	0.4
556.24548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
59.46567	0.1
61.98830	100.0
63.50692	0.1
69.38646	0.5
69.39062	0.8
71.01369	0.2
72.00189	0.1
89.02438	0.2
105.34459	0.1
108.00887	0.1
111.58803	0.2
138.05609	0.2
155.10808	0.2
199.09842	0.2
229.35135	0.2
316.95499	0.1
556.28217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70112	0.1
59.01385	0.7
61.44819	0.1
61.98833	100.0
62.98533	0.1
63.42929	0.1
69.37144	1.0
71.01403	0.2
78.44596	0.1
89.02451	0.3
90.28981	0.1
101.02467	0.2
118.96391	0.1
125.02393	0.1
137.02429	0.1
141.73151	0.1
148.45970	0.1
155.10831	0.3
161.04565	0.1
177.01909	0.1
199.09860	0.3
213.08876	0.1
497.27966	0.2
556.28442	0.2
557.24323	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	556.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84966	1.5
61.98833	100.0
63.54423	1.2
65.32359	1.2
66.70223	1.3
67.94898	1.3
71.26531	2.6
108.74311	1.6
173.21352	1.5
193.76976	1.3
213.83440	1.5
251.60945	1.4
252.63020	1.3
347.76431	1.6
372.59665	1.3
381.26428	1.3
520.75922	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	557.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
59.03353	0.4
61.98830	8.3
71.01382	2.5
85.02946	0.5
89.02445	2.5
93.03458	81.0
94.03792	2.3
101.02435	1.7
113.02450	1.1
119.03484	0.7
161.04501	0.4
169.06590	17.1
170.06958	1.0
179.05659	1.0
180.02371	0.4
188.23026	0.4
193.29379	0.5
213.05569	100.0
214.05902	5.9
302.59662	0.5
335.22287	0.6
343.08087	4.7
479.26410	0.5
497.27390	1.5
549.69373	0.4
557.14178	1.2
557.23041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98838	12.5
66.19180	0.4
71.01376	1.7
71.62306	0.6
72.00914	6.4
73.02925	0.6
74.02481	9.4
85.02952	0.7
89.02448	1.2
96.96965	0.5
97.73392	0.4
101.02459	2.1
113.02446	1.3
116.05074	32.9
116.92838	0.5
117.05391	0.8
119.03497	0.4
130.06622	1.2
142.06631	9.0
157.07666	0.5
159.09283	7.6
161.04671	1.1
186.05598	1.8
197.50308	0.4
203.08273	100.0
204.08611	3.5
221.10289	3.7
229.96596	0.4
236.27168	0.4
248.08936	0.4
248.11804	0.4
353.14465	3.6
539.10455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15641	0.7
57.03465	0.7
59.01384	100.0
60.01732	0.7
61.98833	13.7
67.42084	0.6
70.07468	2.7
78.95908	1.4
79.99675	0.7
82.24170	0.6
83.05050	0.9
89.21365	0.7
98.19895	0.9
102.76810	0.7
123.04569	2.3
129.42714	0.9
149.06157	0.9
152.99632	1.4
197.11874	1.1
233.02223	0.6
276.41684	0.8
277.21814	0.9
278.22122	0.9
332.65884	0.7
367.71854	0.8
495.27731	1.2
551.94543	0.8
555.35608	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01379	0.8
63.96233	1.1
70.29140	1.0
71.01383	6.7
73.02959	1.7
78.98592	5.6
79.95737	10.3
79.96189	0.8
80.96517	66.6
81.03452	1.0
85.02949	3.0
87.00862	2.1
87.36278	0.3
91.29390	0.3
92.15998	0.4
94.98089	16.4
95.01348	0.5
96.96002	1.4
97.02968	1.7
101.02435	2.7
106.98102	3.1
108.14735	0.3
113.02510	0.4
116.82296	0.3
122.97569	2.9
125.02432	2.4
127.04017	1.0
129.03937	0.3
131.07594	0.3
134.97586	4.9
136.99124	1.1
143.03479	0.4
148.99152	6.0
152.98645	5.3
164.97278	0.7
164.98647	12.4
167.00215	0.6
206.99692	2.3
225.00752	15.4
225.02966	0.7
226.01068	0.5
250.66168	0.4
255.23354	2.4
299.04321	3.3
555.28406	100.0
556.28723	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.0
57.20227	0.5
59.01381	100.0
61.98832	15.9
63.43013	0.5
63.80340	0.5
69.43050	0.5
69.97538	0.4
87.00893	1.2
123.04513	1.6
123.08161	0.7
162.43814	0.5
197.37408	0.5
205.52966	0.5
219.13948	0.6
284.39655	0.5
291.98227	0.5
335.14999	0.7
367.26413	0.7
449.27188	0.9
467.28339	2.2
495.27563	8.3
496.28156	1.3
555.36432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67593	1.7
57.03453	4.0
58.00593	3.8
59.01380	95.7
60.01719	2.3
61.01794	1.7
61.98828	48.5
62.28032	1.9
65.64800	1.7
69.03456	2.5
71.01381	47.8
71.62060	3.0
72.01720	2.9
72.99305	9.1
73.02945	34.4
74.07201	1.6
75.00892	2.0
77.78423	1.7
83.01372	4.8
85.02954	17.2
87.00863	10.5
87.04479	4.9
88.98804	4.1
89.02448	45.9
90.02805	2.5
97.02934	2.1
99.00883	4.0
101.02441	69.3
102.02791	2.7
103.02888	2.9
103.04005	22.1
113.02433	10.9
114.02763	1.9
115.03997	6.2
119.03488	15.4
121.02908	2.8
125.02419	5.8
131.03488	14.1
137.02380	4.4
143.03505	13.3
145.05034	6.6
149.02423	3.9
149.04523	12.4
150.03252	10.8
161.04558	5.7
163.06131	100.0
165.01955	3.3
165.05602	10.6
167.03481	2.0
179.05630	2.9
195.06610	5.6
205.07162	24.9
230.59618	2.3
237.58458	1.9
265.09225	10.0
289.07135	3.3
311.09949	3.9
325.11319	2.1
327.08444	1.7
359.13223	2.5
373.35373	1.9
392.96823	2.0
495.24457	19.2
507.18756	3.9
555.20404	12.1
555.29108	34.9
556.20667	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	555.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36415	1.4
57.03440	3.9
58.00576	1.7
59.01381	72.5
61.98834	100.0
69.03452	3.6
71.01384	24.8
72.99294	3.2
73.02939	3.8
75.00873	2.0
82.23245	1.4
84.05345	1.3
85.02969	7.5
87.00862	3.5
88.98795	3.3
89.02448	22.8
93.70304	1.3
95.01411	1.5
96.96043	1.2
101.02453	17.1
110.65488	1.4
113.02437	10.6
113.98342	1.3
119.03493	8.9
120.90895	1.6
123.04501	2.4
125.02417	3.2
125.09753	1.6
135.04543	1.7
137.02399	2.5
143.03526	1.6
151.04030	1.9
161.04593	3.7
163.06091	1.8
173.09709	1.4
179.05627	4.3
195.06635	1.8
195.71262	1.6
201.11067	1.3
215.57513	1.5
237.16525	3.8
249.11047	1.5
285.04141	1.6
288.03433	1.5
315.19693	10.0
333.20566	4.9
393.93774	1.8
411.05957	1.6
480.05170	1.5
495.26031	83.2
496.26453	7.1
510.41873	1.7
555.21802	5.0
555.29956	4.3
556.14142	1.7
584.34747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52988	1.0
57.03455	1.0
59.01376	7.4
61.98831	11.8
66.86125	0.8
71.01383	3.6
73.02957	1.7
83.01416	1.6
85.02952	2.2
88.98793	1.3
89.02414	2.2
89.15608	0.9
93.03456	3.5
95.01375	1.2
95.05043	1.1
98.19843	1.9
101.02478	3.9
108.02184	1.0
109.02948	1.5
113.02442	2.0
116.31576	0.8
119.03486	0.9
121.02957	9.0
122.03726	9.5
123.00911	1.3
123.04529	1.6
124.01695	1.0
125.02425	5.1
133.02950	3.0
135.04483	2.6
137.02432	1.0
147.04549	1.6
149.02441	51.5
149.06039	1.8
150.03229	67.4
151.03667	2.0
160.05330	1.8
161.04587	1.1
161.05981	1.5
163.03989	2.1
164.04810	11.2
165.05566	66.3
166.04959	1.0
166.06200	1.8
167.05458	1.2
168.00630	3.4
170.42493	0.7
175.03976	1.1
175.07649	1.7
177.05623	1.4
178.06281	0.9
179.07121	1.3
180.04225	3.8
195.06615	34.3
226.08246	0.9
229.64838	1.0
238.06520	0.9
241.08630	1.3
269.08115	3.5
269.11411	1.3
281.08261	1.1
283.09631	1.4
295.05792	1.4
296.10352	1.2
297.11340	7.9
298.11810	1.4
299.09219	2.3
300.10025	2.2
311.09177	3.9
311.12900	2.1
312.09991	1.2
313.10861	1.9
314.11591	3.9
315.12390	3.6
325.10776	2.6
326.11551	2.8
329.13916	15.5
333.20773	1.4
341.13824	6.3
342.14597	1.2
349.22394	4.2
431.15115	3.1
432.15781	1.1
433.16458	2.8
461.16367	1.1
462.16806	3.2
464.44931	0.9
477.19189	17.9
478.19608	2.2
489.19260	2.6
492.17838	3.6
495.28214	5.9
507.20212	100.0
508.20578	10.6
535.85748	0.8
555.15961	2.3
555.22437	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.6
58.41070	0.7
59.01384	21.0
60.01708	0.9
61.98831	9.9
62.67564	0.4
65.40814	0.5
68.85892	0.5
70.16769	0.5
71.63692	0.8
78.95907	24.1
80.96501	1.2
83.50002	0.5
96.74816	0.5
103.30689	0.5
126.23911	0.5
126.24976	0.5
152.99626	3.1
168.04311	3.6
224.06915	8.5
242.07956	2.3
261.22311	0.6
269.79889	0.6
279.23288	100.0
280.23611	7.7
467.27588	0.6
495.27374	0.9
504.30966	64.8
505.31366	7.4
554.27368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42863	0.2
59.01379	23.7
61.98825	0.8
69.49742	0.6
69.50158	1.4
78.95902	19.2
79.66248	0.2
81.46442	0.2
81.52495	0.2
87.85809	0.2
96.96971	0.3
98.19921	0.6
122.98506	0.3
128.37720	0.3
152.99573	2.6
168.04312	3.2
194.05850	0.3
201.11313	0.2
224.06924	7.8
225.07233	0.3
242.07950	1.5
255.23289	100.0
256.23627	6.1
285.20544	0.3
369.92889	0.3
480.30936	60.0
481.31284	5.6
495.26523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43364	0.5
59.01383	20.9
61.98834	10.0
71.01385	0.8
78.95908	5.0
80.96519	2.3
98.20651	1.2
109.22837	0.9
118.84557	0.7
134.97652	0.9
143.70677	0.7
156.96173	0.8
165.37665	0.6
168.04338	1.3
207.89325	0.7
224.07079	0.9
225.00807	0.7
229.57237	0.7
233.15323	1.0
242.08015	2.6
255.23309	100.0
256.23633	5.8
277.21786	1.0
279.12399	1.1
480.30936	28.3
481.31406	2.2
554.27295	2.2
580.32593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68907	0.2
59.01381	5.6
60.01722	0.4
61.98832	100.0
66.45918	0.2
66.96738	0.2
70.18871	0.8
88.09222	0.2
106.21133	0.2
118.42316	0.2
121.06555	0.2
123.08179	0.2
128.92772	0.2
173.95575	0.2
223.83669	0.2
287.85342	0.2
391.74213	0.2
523.14813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01383	2.9
60.06629	0.2
61.98835	100.0
63.99273	0.2
69.46850	1.0
69.47278	0.6
71.01391	1.3
72.99305	0.3
73.02953	0.8
75.00877	0.3
83.01409	0.4
85.02969	0.9
87.00905	0.2
89.02451	1.0
90.13078	0.2
97.02984	0.2
98.19855	0.3
99.00881	0.4
101.02464	1.3
101.06074	0.2
111.36676	0.2
113.01629	0.2
113.02482	0.6
119.03509	0.4
123.00892	0.4
123.04480	0.2
124.01671	0.8
125.02475	2.3
126.02848	0.4
127.34676	0.2
128.47559	0.2
130.57935	0.2
137.02472	0.6
149.99574	1.1
151.00145	0.3
161.04573	0.3
163.02890	0.2
163.06128	0.2
164.03528	0.6
165.05539	0.3
166.05174	0.3
167.03514	0.2
168.00665	2.1
169.01108	0.8
179.05647	0.2
182.04767	0.3
265.66852	0.2
285.04126	0.3
313.05765	0.3
314.06131	0.2
349.22287	1.1
367.11978	0.2
392.27969	0.3
454.11084	0.2
494.25922	0.2
495.28140	1.8
554.19592	5.6
555.19666	1.1
584.65454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.0
57.03448	5.1
57.93266	1.2
58.00588	2.8
59.01383	64.6
61.18084	1.2
61.98833	7.4
67.40417	1.4
69.35817	10.4
69.36226	3.1
71.01385	58.6
72.99307	6.0
73.02945	15.6
75.00878	33.2
77.06126	1.5
83.01395	10.6
85.02959	24.0
85.58549	1.2
87.00877	4.9
88.98810	1.5
89.02446	42.0
95.01385	5.5
97.02957	2.3
98.19902	3.0
99.00887	5.6
101.02446	64.2
102.77631	1.3
103.03989	1.9
113.02456	28.4
119.03498	15.4
119.05025	1.5
121.02957	16.4
121.06589	3.1
121.48566	1.2
125.02462	4.6
131.03484	2.2
137.02472	2.2
143.03474	4.8
147.04550	2.0
149.04442	2.2
150.85394	1.3
151.83401	1.3
159.03011	2.2
161.04541	16.6
163.04010	2.4
163.06108	4.7
165.01944	14.8
165.04266	2.1
165.05582	14.8
165.06880	2.0
175.56096	1.5
179.05606	8.7
195.06587	2.2
205.07153	2.0
229.18057	1.3
329.29089	1.3
331.17590	3.1
347.17349	2.9
360.20828	1.2
391.17688	5.7
391.23318	43.6
392.23770	2.4
401.98795	1.1
493.22977	28.0
494.23532	2.1
553.28705	100.0
554.29199	11.8
564.25214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94014	0.8
57.03424	0.8
59.01379	6.7
61.98836	5.9
70.90422	1.1
70.90745	1.3
79.95748	1.6
80.96516	13.2
94.98087	2.6
105.95860	0.8
111.01444	0.8
144.46518	0.8
148.99113	1.4
150.97588	0.9
152.98634	1.6
164.98654	1.5
165.09239	2.1
225.00780	2.7
233.15465	100.0
234.15866	8.4
235.88910	0.9
273.22266	2.2
275.23663	1.2
279.23471	1.4
281.22241	1.1
319.22729	9.9
396.66061	0.8
504.30820	2.0
537.60217	0.8
553.26892	19.1
553.34961	1.3
554.27197	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	554.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
59.01385	4.9
61.98837	100.0
62.05910	0.3
71.01392	2.9
71.63263	0.4
72.81252	0.3
73.02961	0.6
75.00894	0.3
83.01401	0.5
85.02973	0.8
87.00887	0.3
88.98822	0.9
89.02453	1.8
97.02962	0.5
101.02428	2.2
102.02795	0.5
111.16850	0.3
113.02471	1.0
114.02770	0.4
119.03529	0.6
119.48689	0.3
121.02966	0.3
122.02499	0.4
125.02446	0.7
128.03555	0.5
137.02472	0.7
138.03116	0.3
141.01906	0.5
143.03629	0.3
143.04649	0.7
149.02414	0.3
150.03296	0.4
151.04073	0.4
161.04607	0.5
164.03593	0.3
165.05592	0.7
195.06668	0.5
272.08856	0.3
306.07831	0.8
344.11951	0.4
347.17239	0.4
348.17734	0.4
374.16882	0.6
392.18143	0.8
407.26392	0.5
438.86087	0.3
494.23315	1.4
554.23035	2.0
554.31787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.5
57.03443	4.8
58.00581	3.1
59.01103	3.0
59.01385	59.1
60.99309	5.9
61.98835	7.9
69.03448	1.6
69.76266	6.3
71.01388	63.6
72.01716	1.3
72.99309	3.9
73.02947	17.9
75.00857	1.7
83.01392	15.5
85.02956	29.1
87.00858	5.7
88.98253	2.2
88.98808	44.1
89.02450	32.8
95.01405	6.4
97.02924	3.1
99.00892	8.5
101.02448	63.3
103.03988	2.8
106.06591	2.2
111.00920	1.6
113.02446	24.6
119.03503	10.7
125.02423	6.6
136.70978	1.2
137.02403	1.5
139.36916	1.2
143.03491	7.2
145.04991	1.5
150.05659	2.2
156.73924	1.3
159.02957	4.2
161.04559	21.1
163.03961	1.8
163.06184	6.0
177.07564	1.3
179.05722	6.1
205.07228	1.5
229.18092	3.0
236.93307	1.1
247.08234	1.6
307.10321	4.2
347.17010	3.4
356.09659	2.3
391.17853	3.9
391.23309	49.4
392.23779	4.6
493.22992	17.0
553.28680	100.0
554.28955	11.6
557.83545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2868
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
55.01873	7.5
57.03443	4.8
58.00581	3.1
59.01103	3.0
59.01385	59.1
60.99309	5.9
61.98835	7.9
69.03448	1.6
69.76266	6.3
71.01388	63.6
72.01716	1.3
72.99309	3.9
73.02947	17.9
75.00857	1.7
83.01392	15.5
85.02956	29.1
87.00858	5.7
88.98253	2.2
88.98808	44.1
89.02450	32.8
95.01405	6.4
97.02924	3.1
99.00892	8.5
101.02448	63.3
103.03988	2.8
106.06591	2.2
111.00920	1.6
113.02446	24.6
119.03503	10.7
125.02423	6.6
136.70978	1.2
137.02403	1.5
139.36916	1.2
143.03491	7.2
145.04991	1.5
150.05659	2.2
156.73924	1.3
159.02957	4.2
161.04559	21.1
163.03961	1.8
163.06184	6.0
177.07564	1.3
179.05722	6.1
205.07228	1.5
229.18092	3.0
236.93307	1.1
247.08234	1.6
307.10321	4.2
347.17010	3.4
356.09659	2.3
391.17853	3.9
391.23309	49.4
392.23779	4.6
493.22992	17.0
553.28680	100.0
554.28955	11.6
557.83545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82687	0.4
55.01882	2.5
57.03453	1.9
58.00599	2.6
59.01384	44.7
60.01727	0.4
61.98843	2.6
65.19209	0.4
69.03465	0.6
69.94263	2.0
71.01384	45.5
71.65789	0.4
72.99310	3.1
73.02951	10.2
75.00876	1.9
83.01387	6.5
85.02956	18.2
86.00079	0.6
87.00871	2.6
88.98808	1.8
89.02448	28.7
95.01389	3.3
97.02905	0.6
99.00883	4.7
101.02450	34.9
111.00893	2.1
113.02450	17.3
119.03506	10.1
121.02883	0.4
122.84698	0.4
125.02480	2.0
125.03627	0.3
129.01971	0.7
131.03490	1.6
141.57631	0.4
143.03494	2.1
149.04539	3.1
150.03235	3.0
156.82500	0.5
159.03041	1.9
161.04561	10.3
162.03203	0.5
163.06145	0.7
165.05585	3.1
177.05510	0.7
179.05679	2.9
180.04294	0.8
191.05602	0.5
195.06644	4.2
220.14667	0.4
221.06657	0.7
229.17993	0.9
245.17416	0.4
255.51088	0.4
311.09750	1.1
325.11249	0.4
366.44717	0.4
374.53662	0.5
391.23386	14.9
392.23807	0.7
493.22943	3.8
553.28650	100.0
554.29004	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	553.2865
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
55.01880	3.9
57.03456	3.5
58.00592	1.5
59.01384	24.6
61.98833	17.4
65.35343	0.3
68.99824	0.5
69.03466	0.9
71.01385	46.8
71.64291	0.3
72.01721	0.7
72.99312	2.9
73.02952	14.4
74.99134	0.2
75.00877	1.1
83.01389	7.8
84.02177	0.4
85.02956	23.8
86.00109	0.4
86.03275	0.3
87.00879	3.1
88.98814	0.5
89.02447	12.8
90.97662	0.3
93.03436	0.3
95.01396	4.0
97.02959	1.7
99.00888	6.6
99.71915	0.3
101.02448	38.4
102.02791	0.9
103.04047	0.3
111.00878	3.2
113.02457	19.6
114.02808	0.5
115.03976	0.3
119.03505	3.2
121.02945	0.3
123.04510	0.5
123.08173	0.4
125.02452	2.0
129.01947	1.8
131.03502	1.4
135.04483	0.3
136.05298	0.4
136.99239	0.2
141.01942	0.5
143.03503	3.0
144.92194	0.2
149.02423	0.4
149.04523	0.4
150.03265	1.5
151.04030	0.6
159.02994	5.3
161.04562	18.5
162.04857	0.3
163.06126	0.8
165.05554	1.0
167.03554	0.3
167.07169	0.3
167.10863	0.3
179.05595	1.6
181.05023	0.4
195.06618	1.1
205.03415	0.5
205.27386	0.2
229.18100	1.5
237.42162	0.2
243.02968	0.3
315.25262	0.2
343.11948	1.7
391.14081	1.9
391.23364	29.4
392.23703	2.1
414.17572	0.3
492.21637	0.3
493.22501	2.3
535.26776	0.2
553.28650	100.0
554.28955	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	553.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19292	0.8
55.01886	1.8
57.03442	2.1
58.00576	0.9
59.01380	30.6
61.98830	11.2
69.03457	1.3
71.01381	38.0
72.99306	2.4
73.02950	11.7
75.00858	2.8
83.01381	9.9
84.93733	0.8
85.02953	18.6
87.00879	3.4
88.98801	2.2
89.02447	11.5
95.01373	2.8
97.02934	2.4
99.00866	4.3
101.01764	1.8
101.02437	30.8
103.04015	2.8
109.02953	1.1
111.00923	1.2
113.02451	13.2
116.92850	1.3
119.03477	2.6
125.02428	3.2
130.53941	0.8
131.03535	1.3
133.08862	0.7
135.02998	6.0
137.02521	1.2
143.03497	3.0
145.05064	1.2
149.02409	1.8
149.04562	1.0
150.03198	0.9
159.03004	3.8
161.02509	1.4
161.04553	18.7
161.22643	0.8
161.73886	0.8
163.06081	3.7
165.01921	2.7
170.17168	0.8
177.01929	2.8
179.05464	0.8
195.06619	0.9
205.07132	0.9
247.08287	1.0
260.17667	0.9
265.49231	0.8
307.10123	1.5
327.04956	7.9
336.58157	0.9
347.17062	22.1
348.17734	1.0
463.13489	1.4
465.97513	0.8
493.22888	100.0
494.23334	10.5
553.28558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
57.03454	2.7
58.00597	2.5
59.01385	59.3
60.01720	1.5
61.98840	6.7
67.21777	1.1
71.01386	62.2
71.62819	1.8
72.19627	1.5
72.99323	3.9
73.02950	18.3
75.00878	5.4
78.99931	1.4
83.01406	9.4
85.02960	25.4
87.00893	4.2
89.02447	32.2
95.01400	3.9
97.02969	2.1
99.00885	4.7
101.02454	49.5
103.04009	5.6
109.02958	1.1
111.00920	2.0
113.02462	24.1
115.04049	1.4
119.03516	11.9
122.93354	1.1
125.02470	8.0
128.73816	1.2
131.03528	2.8
143.03508	5.1
149.04504	1.6
159.03020	2.7
161.04573	16.7
162.05623	2.8
163.06093	11.3
165.05685	1.4
179.05643	3.0
182.84425	1.2
194.67242	1.1
194.74243	1.2
195.06628	4.1
205.07068	2.8
307.10495	3.6
314.00040	1.1
331.17496	2.3
331.83725	1.2
347.17087	2.6
391.15094	1.5
391.23315	14.5
392.24188	1.4
457.13638	2.9
493.15585	1.3
493.17529	0.8
493.22934	39.4
494.22992	5.7
553.28748	100.0
554.28949	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	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45685	0.9
55.01880	2.2
57.03449	1.7
57.25508	1.0
58.00596	1.9
59.01384	31.0
61.49978	0.9
61.98829	24.3
69.03471	2.1
69.92712	4.5
71.01385	43.9
72.99295	2.7
73.02943	17.3
75.00867	3.4
77.64189	1.1
80.45055	1.1
83.01390	11.6
85.02956	19.1
87.00877	3.3
88.98807	3.3
89.02448	14.6
95.01388	2.4
97.02975	2.1
99.00880	6.2
99.04589	1.2
101.02449	34.8
103.04028	3.2
109.02953	1.0
113.02452	18.6
115.03983	1.3
116.92860	1.5
119.03498	4.2
121.02909	1.9
123.04482	1.5
125.02478	6.8
135.01166	1.0
135.02979	6.8
137.02419	1.4
138.05544	1.0
143.03502	2.5
144.12000	1.0
147.03009	1.1
149.02525	1.2
153.01979	1.2
159.02968	4.6
161.02550	1.6
161.04556	20.2
163.06131	6.8
165.01949	3.1
165.05544	1.1
167.03561	1.3
177.01886	1.8
179.05583	1.4
205.03397	1.2
229.07050	1.3
266.07480	1.1
307.10217	1.5
327.05048	7.7
332.62521	1.1
347.13022	0.9
347.17047	22.1
348.17401	1.5
354.54376	1.1
391.23273	1.2
493.22910	100.0
494.23221	12.3
553.20837	1.0
553.28955	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	553.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
57.03433	6.1
57.16795	1.7
58.00600	3.0
59.01384	76.7
61.98515	3.9
61.98834	74.7
62.15096	1.8
63.49956	1.6
69.03468	2.1
69.55828	1.8
70.15337	6.1
71.01385	70.3
72.99320	3.6
73.02947	23.3
75.00879	24.0
81.03455	1.9
83.01385	16.9
85.02952	24.0
87.00884	5.0
88.98817	7.6
89.02454	24.0
95.01427	2.7
97.02945	5.2
99.00872	7.2
101.02451	54.0
102.02785	2.3
103.04011	5.1
109.02958	2.3
113.02462	19.1
119.03508	10.3
121.02998	2.3
123.00900	2.2
125.02438	8.5
137.02435	7.0
138.03209	2.1
143.03523	4.1
145.05009	2.5
148.05344	2.9
149.04485	2.0
149.06009	2.1
151.04053	3.7
152.04816	4.4
159.02934	2.4
161.02429	4.0
161.04597	18.6
161.05872	2.9
163.06123	5.5
165.01941	2.1
180.04253	2.1
180.07875	4.2
181.08678	3.7
209.08214	2.3
232.16223	2.2
247.08171	2.4
306.07584	3.3
307.10489	3.0
343.14127	3.5
347.17123	26.4
348.17624	3.2
359.14975	2.2
361.16574	2.8
373.16403	4.5
391.17752	6.6
422.02774	2.0
463.08719	3.7
493.22906	100.0
494.23141	10.9
523.21497	8.5
535.22003	8.4
553.22803	87.8
553.31024	8.0
554.23267	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	553.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
57.03437	2.9
58.00587	2.1
59.01095	1.5
59.01382	28.7
60.99283	1.2
61.98832	24.4
69.34332	3.5
69.34759	4.1
71.01383	31.3
72.99305	2.3
73.02949	11.3
75.00872	3.7
81.03500	0.8
83.01379	8.3
85.02956	15.0
86.00096	2.2
87.00880	3.3
88.98809	9.5
89.02452	13.7
93.03430	1.8
95.01380	2.6
98.20655	1.8
99.00897	5.1
101.02448	26.6
105.41370	0.9
109.02982	1.1
111.00877	1.9
112.04057	1.0
113.02465	10.9
119.03507	2.6
121.02947	6.3
122.03777	0.9
123.04524	1.2
124.01731	0.9
125.02460	4.1
127.07600	0.8
131.03516	1.0
134.82596	0.8
135.04456	1.6
137.02449	2.8
138.03224	0.8
143.03529	1.5
148.01515	0.8
148.05304	1.3
151.00407	1.3
151.04025	2.0
159.02892	1.2
161.04565	3.7
164.07205	1.0
165.05521	1.1
166.05161	1.7
166.06345	41.4
167.03542	1.0
167.07100	5.2
169.01184	0.8
176.04758	0.9
177.01941	1.5
179.03462	2.6
181.08702	48.1
182.09018	1.8
183.10300	1.2
184.06079	1.2
194.05807	2.9
195.06625	1.7
209.08186	7.4
224.29657	0.8
276.72855	0.8
343.13962	100.0
344.14417	5.9
357.15326	1.3
387.13382	0.9
391.23090	2.0
421.18716	1.2
463.09274	1.0
553.22833	55.7
553.30487	4.6
554.15778	0.9
554.23047	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	553.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
58.00608	1.6
59.01378	19.5
61.98845	1.3
69.57532	3.3
70.16952	0.6
71.01380	14.6
71.01743	0.8
72.99325	1.6
73.02969	1.7
83.01412	1.3
85.02960	3.9
89.02446	12.4
98.20596	1.3
101.02443	1.2
109.02946	3.8
113.02503	0.9
121.03018	0.7
124.01705	3.1
125.02473	5.2
135.04506	0.6
137.02444	21.0
138.03268	6.6
138.38884	0.7
139.04005	7.1
139.04955	0.6
145.02979	1.1
150.03192	0.9
150.05441	0.6
151.04005	9.8
152.04808	4.9
153.05586	1.7
159.04453	0.9
161.06119	0.9
162.03232	4.2
163.04027	5.0
164.04776	2.2
165.05545	1.9
166.06346	1.6
175.03999	1.9
176.04744	3.6
177.05571	9.8
178.06050	0.7
179.03577	1.1
179.07126	1.4
180.04277	10.2
181.05063	13.7
184.03810	2.2
189.05600	2.6
190.06409	1.0
191.07205	3.4
191.08643	0.6
192.07927	2.5
194.05894	2.3
195.06613	20.8
196.06921	0.7
198.05304	1.7
203.07130	0.9
204.07980	0.9
205.08693	1.4
206.05786	1.5
206.09491	0.9
207.06630	3.8
208.07132	0.6
209.08247	2.4
221.08212	1.9
343.11865	2.5
358.14191	3.9
361.12973	3.5
371.14966	1.4
373.12537	2.9
373.17114	2.9
375.14532	2.4
378.72778	0.6
388.15240	6.0
389.15692	1.8
391.13950	8.1
392.14719	1.1
403.17566	10.5
404.17969	1.2
406.16312	13.5
407.16852	1.9
421.18674	96.3
422.18948	9.2
538.20337	3.1
540.67987	0.7
553.22882	100.0
554.23291	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	553.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.7
57.03450	5.1
57.42258	1.5
59.01388	50.7
61.98515	3.4
61.98837	51.5
69.03466	3.6
70.39317	6.2
71.01392	87.7
72.01720	1.9
72.99331	3.5
73.02955	27.5
75.00890	3.5
79.52493	1.7
83.01403	15.4
85.02963	40.8
87.00890	4.5
89.02453	17.7
93.03495	2.1
95.01405	7.3
97.02952	3.9
98.19849	1.8
99.00884	9.8
101.02456	54.2
101.73243	1.8
113.02471	29.1
119.03545	1.7
123.92006	1.6
125.02448	6.1
131.03531	4.2
137.02463	6.2
143.03534	6.0
144.78203	1.9
149.04582	4.0
159.03008	10.1
161.04575	53.9
187.35747	1.6
187.52725	1.7
286.03717	1.8
293.08804	3.1
338.13974	1.7
361.12946	100.0
362.08945	1.7
362.13263	6.3
405.12143	2.4
450.27621	2.4
493.17224	52.7
493.24826	2.5
494.17609	5.2
553.24658	5.2
553.32190	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	553.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.0
59.16644	0.6
60.99305	13.6
61.98827	8.6
67.60129	0.6
69.39342	1.4
69.39752	4.2
71.01396	4.4
73.00146	0.6
73.02915	0.9
75.00868	0.7
85.02946	2.0
87.00896	1.2
88.00420	0.7
88.98807	100.0
89.02440	8.9
89.99142	0.9
101.02454	4.5
102.17561	0.7
113.02455	1.9
119.03521	1.5
124.90816	0.6
125.02409	0.7
135.98430	0.9
137.02400	1.6
140.49500	0.5
161.04543	0.8
179.05565	1.4
427.85983	0.6
463.21844	0.8
493.22488	1.5
553.28925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2304
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
55.01865	1.9
57.03448	1.9
58.00595	1.2
59.01383	24.1
60.99322	1.0
61.98835	10.6
63.70702	0.8
65.15260	0.7
69.30750	8.2
71.01391	19.2
72.99290	1.2
73.02956	4.6
75.00880	9.5
77.44166	0.8
80.42850	0.8
83.01398	4.5
85.02966	6.3
87.00890	2.8
88.98812	3.1
89.02457	11.4
95.01388	1.3
98.20617	1.7
99.00881	1.6
101.02458	12.6
111.00926	1.1
112.41541	0.7
113.02448	5.8
119.03493	2.7
121.02955	1.6
121.26260	0.7
125.02436	2.1
129.01994	0.9
131.03494	0.8
135.04547	1.9
136.05336	1.0
137.02481	5.9
138.03210	1.8
148.05309	1.4
149.06070	3.0
151.04008	3.5
152.04697	2.0
161.02423	2.8
161.04559	3.4
161.06065	2.7
162.06905	1.7
163.03981	1.5
164.04846	0.8
174.06885	1.1
179.03461	1.5
179.05609	0.8
179.07066	1.9
180.07910	5.6
181.05142	1.1
181.08698	1.9
184.03758	1.7
188.08350	0.8
192.07915	1.4
193.08722	1.9
194.05849	2.9
195.06540	1.8
209.08224	3.7
213.52003	0.9
221.08272	1.0
222.01802	0.9
292.44205	0.8
300.02896	1.3
327.12451	1.1
342.13150	1.7
346.14450	1.3
347.17123	3.6
358.14267	2.1
359.14963	1.9
361.16595	3.9
373.16748	1.7
376.15250	1.2
391.17661	6.0
463.09183	1.3
493.22937	12.8
517.93359	0.9
523.21826	6.5
535.21783	9.2
553.22913	100.0
554.23218	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18456	10.4
59.01371	39.9
61.98849	70.9
70.37878	19.0
70.38234	27.2
71.01379	43.9
72.99315	12.9
73.02934	19.2
75.00874	9.1
80.80195	9.1
85.02944	23.5
87.00888	11.1
89.02446	29.6
96.96009	17.8
101.02432	46.9
107.37196	8.3
113.02430	13.9
116.05043	26.9
119.03535	12.3
125.02419	29.9
131.03494	10.3
139.00386	19.7
142.90833	8.7
153.01917	21.8
161.04601	21.7
179.05569	11.8
185.42116	9.0
203.08295	100.0
207.72575	10.6
221.06744	17.8
245.06644	9.7
255.86324	10.0
263.07748	16.0
323.09827	31.7
343.24695	12.5
493.15942	12.4
553.14099	14.7
574.56104	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	553.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
52.26894	0.4
57.03181	0.6
57.03448	9.6
59.01376	6.9
61.98828	18.4
62.16412	0.4
69.03452	3.3
69.57289	1.4
69.57716	1.6
71.01379	3.5
72.99289	0.6
73.02939	1.0
75.00876	0.8
79.56670	0.4
81.03444	1.3
83.01385	1.2
85.02958	2.1
87.00864	0.6
88.55258	0.5
89.02433	3.1
93.03459	0.6
95.01395	1.6
97.02941	2.8
99.00899	1.2
101.02430	3.4
101.06071	1.4
107.01383	1.4
107.02042	0.4
107.05048	0.7
108.02192	1.3
109.02956	2.6
109.06591	1.5
113.02460	1.5
121.02939	1.3
123.00889	7.9
123.04506	0.9
123.08191	2.2
124.01667	18.7
125.02451	33.8
125.09712	0.8
126.02769	1.2
131.03500	0.7
135.04501	0.5
136.01682	2.1
137.02446	9.1
144.12817	0.5
148.96709	0.4
149.02448	0.9
149.04555	2.2
149.99588	23.4
151.00372	3.3
151.04027	0.7
151.11267	2.0
152.04793	0.6
161.02461	0.8
161.04570	0.7
163.04042	0.7
163.06146	1.4
167.03476	1.6
168.00647	48.0
169.01411	7.2
179.03406	0.8
179.07179	0.6
179.10715	0.9
190.02686	0.6
191.03476	0.6
195.13916	6.9
238.92502	0.5
239.12860	3.7
269.06647	0.9
313.05655	9.5
493.26587	1.1
517.22882	0.9
523.19452	0.5
530.12439	0.5
553.19208	100.0
554.19507	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	553.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
58.00602	2.9
59.01385	37.7
59.55898	1.2
60.99313	19.6
61.98835	31.0
62.80763	1.1
69.60677	4.5
69.61094	3.5
71.01393	27.2
72.01734	2.6
72.99305	4.1
73.02956	5.9
74.99113	1.6
75.00873	3.4
78.75327	1.1
81.03455	1.1
83.01398	4.4
85.02947	7.9
86.03297	1.1
87.00896	2.9
88.98814	100.0
89.02459	18.7
90.02785	1.4
93.03465	1.2
93.64140	1.2
94.93405	1.0
95.01379	1.6
97.02973	3.7
98.19866	2.0
99.00922	3.0
101.02456	14.8
102.02757	1.1
103.04012	2.0
107.01366	2.1
108.02161	1.3
109.02941	1.5
113.02455	7.1
114.02832	1.4
119.03522	5.4
119.05032	2.7
121.02948	3.7
123.00897	3.9
124.01659	2.1
125.02459	4.1
131.03511	1.3
137.02472	2.1
138.03235	4.9
139.03986	1.4
141.01974	4.1
151.00386	7.8
153.05579	3.1
154.05894	1.9
159.02950	1.1
161.04555	3.6
163.00435	1.9
163.03995	3.3
163.06142	2.4
165.01904	1.6
166.06268	1.2
178.99918	5.8
179.05560	2.4
185.11868	2.8
187.04082	1.6
199.09834	1.7
203.06985	1.1
227.03473	1.5
234.08545	1.2
243.02870	6.1
247.08061	1.3
248.34575	1.2
254.02225	1.9
255.02971	15.8
271.02481	32.9
271.05411	2.4
272.02902	2.4
279.52521	1.3
298.04129	1.3
300.02771	69.4
301.03470	30.5
302.04050	1.4
317.03009	2.9
327.08459	1.4
341.09976	2.1
342.10495	2.8
343.11337	2.4
356.12424	2.1
359.11227	4.1
360.11603	4.1
361.11880	2.8
372.11710	3.2
373.12350	2.9
374.13315	5.5
375.13666	5.1
376.14166	1.7
387.13635	2.0
390.16498	3.1
391.16974	3.1
391.23108	1.9
401.16467	1.4
402.16110	2.1
403.16589	3.0
405.14929	1.9
406.15405	2.1
419.17084	3.0
420.17416	12.6
421.17752	11.0
463.08853	98.5
464.09048	9.7
493.22687	8.0
537.19324	2.3
538.19769	3.2
552.21655	27.5
553.21820	38.2
553.29810	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	552.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
61.98837	100.0
71.01397	0.6
71.17690	0.5
71.18028	0.6
101.02451	0.5
106.53204	0.5
124.39806	0.4
139.22142	0.4
408.60757	0.4
461.71301	0.4
475.03751	0.5
508.21384	0.4
516.27026	0.4
533.46973	0.5
552.20532	0.6
552.33832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74972	0.3
55.01896	0.4
57.03460	0.6
59.01381	6.8
60.62833	0.3
60.99308	0.4
61.98833	100.0
69.46119	1.1
69.46539	1.5
71.01385	6.1
72.99317	1.3
73.02943	1.9
75.00890	0.6
83.00010	0.3
83.01404	0.6
85.02953	1.9
87.00864	0.6
88.98801	2.1
89.02444	3.9
89.99123	0.4
93.03458	0.5
97.02957	0.4
99.00950	0.4
101.02441	3.9
101.03074	0.3
102.02824	0.3
103.04023	0.9
105.01949	0.7
108.02197	1.2
109.02962	1.0
113.02490	1.6
117.73265	0.3
119.03518	1.1
119.77471	0.3
123.04523	0.4
125.02462	1.8
131.03514	0.5
133.03062	0.5
135.04599	0.7
137.02477	1.5
138.05588	0.3
149.04485	0.3
151.00414	0.3
151.04036	0.5
153.01950	0.4
161.02505	1.2
161.04626	0.9
163.06131	0.9
164.03636	0.8
167.03485	0.5
179.05710	0.4
185.06091	2.3
185.11938	0.6
192.04424	0.5
207.06657	1.0
225.11342	0.3
307.10599	0.6
313.24023	0.6
329.23483	0.5
331.25073	0.4
347.20810	0.8
361.50787	0.3
373.25983	1.1
391.27155	0.7
493.26706	1.3
515.29315	0.9
516.28650	2.0
552.24115	0.6
552.32782	1.7
553.24426	0.6
553.32532	6.5
560.46368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01703	0.8
61.98834	8.7
68.34335	0.6
74.21790	0.6
85.02995	0.6
135.04597	0.9
149.02473	2.0
164.04791	4.3
179.07141	3.4
261.11407	1.0
271.19174	2.8
341.13907	1.2
366.80530	0.6
474.85840	0.6
491.24670	0.9
551.26514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03449	3.4
58.00596	3.6
58.27623	0.5
59.01380	60.8
60.01715	0.6
61.98835	7.4
69.03446	1.0
70.17292	2.0
71.01384	70.6
72.01715	1.0
72.99310	4.5
73.02942	6.1
74.99101	0.6
75.00869	2.8
81.03446	0.7
83.01389	4.0
85.02956	11.8
86.00118	0.5
87.00874	6.1
89.02444	63.0
90.02809	1.1
95.01399	2.2
97.02965	1.5
98.20527	0.6
99.00906	1.7
99.04514	0.7
101.01773	1.3
101.02444	24.3
109.02951	1.2
111.00899	1.6
113.02454	19.6
116.92860	0.6
119.03505	8.4
120.99625	0.6
121.02956	1.6
123.04590	0.7
124.94051	0.5
125.02473	4.5
129.01958	1.8
131.03487	3.1
134.03772	1.3
137.02458	3.6
143.03502	5.4
145.02940	0.9
147.03041	1.6
149.02435	0.5
149.04576	2.2
149.06062	0.7
150.03232	0.8
151.03998	1.4
156.09407	0.5
159.03030	0.9
161.04572	8.7
163.06123	1.3
165.01941	1.4
165.05577	0.8
167.03531	1.4
171.37535	0.5
179.05611	7.9
189.05548	0.9
193.05070	1.4
203.03471	0.7
227.16542	1.5
289.07123	1.7
341.09991	0.8
371.20819	2.1
389.12405	2.0
389.16702	1.3
389.21741	15.6
389.26498	1.1
390.22284	1.5
419.17099	0.8
429.87399	0.6
491.21051	0.9
533.11035	0.7
551.27087	100.0
552.18707	1.0
552.27252	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	551.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03456	2.4
58.00594	3.4
59.01383	100.0
61.98829	33.9
66.06748	1.4
69.03447	2.4
69.58366	9.8
71.01385	44.1
72.99321	3.2
73.02951	30.8
83.01378	9.1
85.02956	18.6
87.00879	5.6
87.04546	1.8
88.98812	4.1
89.02449	37.9
97.02917	2.6
97.21479	1.7
99.00904	4.0
101.02448	66.1
103.04013	20.0
108.02199	1.9
109.02981	3.8
113.02460	11.6
115.04013	7.5
116.92871	3.9
119.03500	14.2
123.00935	1.8
124.01630	2.9
125.02457	10.0
126.30869	1.4
131.03502	9.1
131.31964	1.2
133.02924	7.1
135.00883	4.4
139.00400	2.2
143.03493	12.2
145.05089	6.3
149.04613	1.7
149.99561	3.2
151.03975	2.1
153.01955	3.5
160.04134	1.3
161.02460	24.9
161.04562	5.4
163.06128	84.8
164.06512	1.8
166.05080	2.0
168.00673	4.9
179.03511	1.9
179.05602	2.0
205.07167	23.2
235.08189	1.6
241.23003	1.3
246.66432	1.4
265.09299	14.0
281.13766	1.5
282.86868	1.6
325.11365	3.4
345.19147	10.7
491.24969	64.0
492.25357	5.2
551.16876	2.9
551.25140	15.6
551.31458	7.1
552.24756	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	551.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53201	1.4
54.95838	1.5
59.01387	23.6
61.98836	12.1
63.18681	1.4
71.01408	4.5
71.62476	2.5
72.99309	3.6
76.23535	1.6
83.01406	3.1
85.02934	2.1
89.02470	3.4
90.00408	1.4
101.02452	9.6
113.02457	2.7
126.11297	1.4
138.02779	1.5
148.43126	1.5
161.04544	1.9
235.08240	2.4
253.09259	11.8
255.23314	100.0
256.23669	6.1
308.16733	1.8
551.37183	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	551.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32335	1.0
57.03446	1.8
59.01380	64.8
61.98830	26.6
71.01378	10.2
71.40961	2.0
73.02950	11.3
83.01388	1.6
83.05062	1.9
85.02957	2.1
89.02453	3.7
101.02446	100.0
101.49306	1.1
113.02419	2.3
113.09634	1.1
117.03472	3.8
119.03494	2.3
123.04529	2.2
131.03435	1.8
150.51924	1.1
150.53143	1.1
152.99918	1.1
195.13881	4.0
275.20102	3.1
293.17902	2.9
293.21234	58.7
294.21570	4.5
296.84021	1.1
305.18860	1.1
317.21164	4.2
335.22403	3.1
359.22968	1.3
377.23090	2.0
395.24179	3.8
473.22815	1.6
491.24329	7.9
551.31305	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	551.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
58.73756	0.8
59.01385	100.0
60.01730	1.1
61.98839	15.2
63.02581	0.7
64.34400	0.8
78.95915	1.2
101.96180	0.7
123.08244	0.8
164.04794	0.8
174.06851	0.8
187.11446	0.7
201.12926	0.9
207.10185	0.9
227.10815	1.4
243.10321	4.9
253.21742	1.4
263.91187	0.7
277.21790	1.9
278.47449	0.8
491.24310	1.5
502.29837	1.8
515.30591	1.1
551.25720	1.2
551.33069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85587	1.5
53.25786	1.5
55.01877	4.3
57.03438	4.2
58.00584	2.8
59.01381	96.3
60.99302	1.7
61.98832	89.6
69.03446	3.2
69.68810	8.0
71.01385	80.6
72.99305	4.5
73.02949	31.1
83.01387	11.0
84.02151	1.6
85.02956	31.4
86.94146	1.6
87.00883	9.6
87.04484	2.0
88.98814	15.4
89.02443	45.5
95.01392	3.8
97.02938	4.2
98.20518	2.0
99.00321	1.4
99.00851	8.2
99.04547	2.1
101.02448	65.3
103.04030	16.4
111.00922	2.0
113.02442	25.0
115.04005	4.0
119.03499	19.4
121.02955	13.3
121.06596	1.9
125.02448	17.2
127.04014	2.5
131.03508	5.3
133.30035	1.6
141.01797	1.6
143.03482	13.2
145.05084	2.5
159.02995	2.8
161.04567	19.2
163.04872	2.8
163.06125	34.4
165.01929	13.1
165.04095	1.9
165.05554	2.9
167.03467	3.0
179.05627	4.9
205.07156	11.2
207.22130	1.5
247.08189	2.4
265.09372	2.7
277.61343	1.7
307.10364	12.2
339.08557	1.6
339.71829	1.6
345.15594	14.7
366.59274	1.6
389.16428	3.2
389.21497	14.8
389.44098	1.6
390.22375	2.1
491.21301	100.0
492.21658	9.6
551.27124	52.7
552.27051	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	551.2133
Annotation	Nudiposide
Peak:m/z	Relative Intensity
50.69442	1.2
57.22792	1.3
58.00581	1.8
59.01381	32.7
69.41494	3.1
69.41910	8.5
69.42468	1.3
71.01388	18.1
73.02947	1.9
80.58060	1.4
83.01376	2.8
84.34187	1.6
85.02952	4.7
87.00896	1.3
89.02450	19.3
90.46875	1.4
93.47801	1.3
98.19895	2.3
101.02436	2.6
105.03976	1.2
112.61322	1.3
121.03002	2.0
123.00913	5.4
124.01658	4.1
130.73347	1.3
134.35548	1.7
137.02441	1.9
138.03224	17.2
139.04030	5.0
149.94798	1.3
153.05559	16.3
153.24113	1.3
169.60648	1.5
174.03218	1.5
187.04010	6.4
188.04710	2.1
189.05673	2.4
191.36505	1.3
201.05473	1.6
202.06299	7.0
203.07062	4.5
217.08676	2.1
219.06436	2.0
220.07222	1.7
221.08177	3.5
232.07289	2.1
233.08177	11.1
252.23563	1.3
298.05151	1.6
309.07800	1.7
313.07153	4.7
325.07028	4.7
326.07843	2.4
327.08780	4.1
340.09476	6.1
341.06580	3.0
341.10275	9.9
343.07849	2.1
343.11755	2.2
344.08963	3.9
355.11853	11.1
356.08917	2.2
356.12817	2.4
358.10486	10.8
359.11349	17.1
371.11401	14.5
372.11655	2.7
373.12924	25.0
374.13092	2.4
380.54510	1.4
386.13696	7.6
389.12366	7.5
390.13461	2.4
401.16095	12.0
404.14703	10.6
405.14984	7.2
419.17126	60.4
420.17456	5.6
505.16833	2.2
536.19086	8.5
551.21387	100.0
552.21436	9.2
564.86279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1772
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
55.01865	0.2
57.25733	0.2
59.01383	2.2
61.98837	2.9
65.00320	0.7
69.57145	0.3
69.57547	1.1
71.01389	2.3
73.02930	0.7
77.03999	0.2
80.02676	0.4
81.03461	0.2
83.01373	0.3
85.02978	0.9
88.98806	0.3
89.02432	1.1
89.30396	0.2
91.01900	13.2
92.02219	0.4
93.03513	0.2
95.01381	0.9
97.02909	0.2
101.02448	2.8
107.05070	0.6
108.02177	16.1
109.02972	6.4
111.00901	0.2
113.02430	0.9
119.03478	0.5
121.02946	0.8
123.00887	5.5
123.04524	0.3
124.01675	0.7
124.02519	0.2
135.00891	13.2
136.01204	0.4
137.02446	2.9
143.03497	0.3
149.02441	0.6
152.01160	15.7
153.01952	4.1
161.04585	0.5
164.03537	0.4
167.03523	0.8
169.06631	0.3
179.05621	0.3
195.03020	0.7
197.06070	1.3
199.07622	0.6
213.05579	1.2
215.07100	0.7
225.05553	0.2
243.06619	100.0
244.06966	5.0
251.12506	0.2
290.55289	0.2
329.23129	0.2
337.00394	0.2
351.56915	0.2
384.63080	0.2
389.21823	0.7
443.11987	3.9
444.12219	0.4
551.17731	2.2
551.27148	1.0
552.17352	0.2
552.25958	0.2
558.25183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2129
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01868	2.1
57.03425	6.2
58.00572	4.7
59.01381	82.7
61.98560	2.0
61.98831	19.8
69.03445	5.5
71.01385	53.8
72.99290	5.4
73.02941	12.2
75.66422	1.5
81.03450	2.9
82.02970	1.8
83.01371	6.9
85.02957	17.4
87.00846	6.5
88.98817	3.9
89.01919	2.0
89.02446	35.1
95.01374	5.8
95.70345	1.5
97.02940	5.5
98.20639	3.8
99.00868	3.2
99.04442	1.7
101.02446	41.8
103.03986	7.0
109.02923	6.4
113.02444	18.4
119.03521	12.5
119.04967	3.5
119.49488	2.1
123.04468	5.1
124.01671	2.5
125.02470	14.9
131.03479	2.1
137.02426	6.8
139.00299	1.7
139.04034	3.4
139.11293	8.3
143.03430	5.0
145.04988	1.6
149.02435	2.3
150.03189	2.5
151.03905	2.6
156.29820	1.7
159.04517	2.2
160.05339	1.8
161.04538	6.7
161.06003	3.3
162.03197	2.6
163.03947	4.0
163.06131	13.0
165.01877	4.5
165.05537	2.4
167.03412	3.7
173.06026	1.5
175.03970	2.2
177.05559	3.7
179.03442	1.8
179.05542	5.2
183.10255	38.0
184.10632	1.6
190.06491	1.8
191.07050	1.7
203.06995	3.6
205.05132	2.0
205.07048	2.2
226.74355	1.5
233.09460	1.8
245.08194	4.0
256.03702	2.5
257.04419	1.6
271.05960	2.3
279.06625	2.8
283.05884	2.1
289.07205	28.4
295.06073	2.2
296.06854	2.0
298.08319	2.8
307.10373	3.8
311.09329	1.8
325.10724	3.9
326.07855	2.9
328.09048	1.6
329.10132	2.8
341.10428	10.1
343.11633	5.9
356.12747	3.6
359.11374	12.2
371.11011	3.4
371.14926	4.4
374.13666	17.7
389.16177	52.3
389.21420	6.8
390.16190	5.5
427.41531	1.6
491.20911	3.6
493.13531	2.2
551.20984	100.0
552.21539	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	551.177
Annotation	Foliachinenoside A2
Peak:m/z	Relative Intensity
57.03440	4.2
58.00601	2.4
59.01380	31.8
59.16800	1.5
59.63704	1.5
60.99310	5.5
61.98833	20.6
68.19588	1.4
68.77694	1.4
69.03461	2.8
69.33832	15.1
71.01386	31.6
72.99310	1.9
73.02953	6.9
73.33463	1.7
75.00868	7.3
83.01401	5.4
85.02955	17.4
87.00903	8.2
88.00388	2.3
88.98805	33.4
89.02441	39.1
91.01897	13.7
93.03459	47.4
95.01402	5.6
97.02956	2.9
97.62083	1.6
99.00880	8.8
99.04551	2.1
101.02449	28.7
107.05043	3.2
108.02177	17.2
109.02959	5.1
109.48968	1.4
111.00902	3.3
113.02428	17.4
119.03489	8.5
119.04994	2.2
121.02963	29.1
123.00867	4.9
124.01685	2.5
125.02460	12.5
131.03551	5.2
135.00864	13.5
137.02452	44.2
139.04047	2.0
143.03546	8.8
149.02390	1.6
151.03976	2.2
152.01161	15.2
153.01732	1.8
155.03542	1.7
161.02452	2.0
161.04553	16.1
162.03148	2.2
168.00595	2.2
179.03462	2.9
179.05582	3.0
191.03435	1.7
192.82890	1.5
197.06061	8.7
199.07715	2.6
221.06705	8.0
227.07140	42.8
228.07365	2.8
243.06612	100.0
244.07001	4.2
245.06665	10.4
255.10114	2.0
263.07724	4.9
263.99710	1.7
281.06625	10.9
323.09891	3.9
329.23355	5.6
330.92593	1.7
353.95685	1.9
387.14600	2.3
388.14850	2.9
443.11905	5.9
551.20459	9.6
551.31354	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	549.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57285	0.3
57.03445	0.6
58.00591	0.4
59.01386	11.8
60.01727	0.3
61.98825	3.9
66.56138	0.3
70.19337	1.4
71.01389	3.8
73.02952	3.5
83.01410	3.0
85.02962	1.4
87.00896	0.3
87.04517	0.5
89.02460	2.9
95.76508	0.3
98.19888	0.3
99.00880	0.9
99.92592	12.5
100.92622	0.6
101.02443	2.8
109.02974	0.5
113.02460	1.3
113.06089	0.5
114.12070	0.3
116.92871	100.0
117.01949	3.7
117.92876	5.5
119.03503	0.9
125.09732	0.8
131.09602	0.3
137.02440	1.5
149.04625	0.5
158.39569	0.4
161.04617	0.5
163.06210	0.4
171.10275	1.4
181.12386	0.4
201.11334	3.6
225.11269	0.5
227.03577	0.8
255.03134	0.4
281.17676	0.7
284.03284	1.2
285.04065	1.1
369.22742	1.0
372.12317	0.8
377.18585	0.6
387.14517	7.4
387.23926	1.0
388.14566	0.7
399.14185	0.4
403.64600	0.4
431.09857	1.6
506.60727	0.4
531.27985	1.4
532.28729	0.5
549.20526	1.1
549.29163	17.6
550.29401	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	549.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.5
61.98829	6.2
71.01379	2.2
81.17850	0.5
85.02946	0.6
89.02438	1.8
98.20733	0.9
101.02442	1.9
113.02483	1.4
119.03469	0.5
121.02934	0.6
125.02406	0.5
143.03510	0.7
161.04601	0.7
195.90765	0.5
206.20609	0.5
235.08282	1.6
253.09291	11.5
253.21724	100.0
254.22083	5.4
436.92514	0.5
549.32275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
57.16280	0.3
59.01382	4.2
61.98832	100.0
69.46232	1.9
70.36906	0.2
71.01383	2.4
72.99314	0.5
73.02943	1.0
83.01416	0.4
85.02959	0.9
87.00890	0.4
88.98800	1.3
89.02454	1.8
95.82514	0.2
99.00876	0.4
101.02437	2.1
108.02223	0.3
109.02977	0.5
113.02463	0.8
119.03616	0.3
119.04968	0.2
123.04544	0.5
125.02445	0.9
128.85933	0.3
131.03542	0.4
137.02516	0.5
143.03517	0.3
145.03043	0.3
149.02531	0.3
152.01135	0.5
153.01898	0.3
161.02515	0.4
161.04535	0.6
163.06129	1.0
170.22176	0.2
189.38513	0.3
201.11380	0.2
221.04399	0.6
222.58282	0.2
230.04660	1.0
244.06076	0.3
257.02164	0.3
336.08981	0.4
337.09470	1.2
338.49393	0.2
345.19287	1.1
351.11310	0.4
352.11972	1.0
371.24377	0.2
382.07117	0.3
463.49628	0.3
491.24844	4.2
504.16922	0.4
520.19873	2.5
550.20856	1.3
550.29681	1.1
551.23804	0.5
551.30945	2.4
565.80981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66618	0.3
59.01382	6.0
61.98833	100.0
65.06436	0.4
69.52183	0.7
69.52589	1.7
71.04276	0.3
92.47429	0.3
96.10176	0.3
102.16206	0.3
109.95599	0.4
112.93204	0.3
121.02952	0.4
130.39120	0.3
149.02448	0.5
156.36176	0.3
166.63214	0.3
213.63391	0.3
260.44574	0.3
268.09579	0.3
271.98337	0.3
300.42770	0.4
312.10165	0.6
327.12518	1.1
357.13370	0.6
463.17786	0.4
487.36526	1.2
550.32489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.0
59.01378	33.0
59.25230	1.4
60.99314	17.0
61.98834	81.8
69.03465	3.0
69.97167	7.5
71.01389	20.8
73.02945	5.3
75.00893	3.5
78.95910	1.5
83.01402	2.0
85.02973	6.7
87.00887	2.3
88.98811	100.0
89.02444	26.7
101.02450	11.7
109.02957	2.6
111.00876	2.3
113.02458	6.5
116.92864	2.1
119.03537	3.2
121.02949	4.1
123.00887	4.1
124.01680	8.3
125.02460	15.2
131.03484	3.2
131.70453	1.5
135.04465	1.4
137.02449	3.2
145.02937	2.1
149.04572	6.4
149.99619	11.3
151.04048	2.0
153.01929	1.9
161.02513	1.7
161.04500	2.5
163.06123	2.8
167.03488	1.9
168.00655	20.9
169.01352	2.0
171.10233	2.0
193.01508	1.9
201.11324	5.1
209.08228	2.6
248.49600	1.5
255.10312	1.9
263.12921	2.1
283.09747	5.9
311.09317	21.4
313.05823	3.0
325.10742	1.7
326.11633	11.8
341.13956	23.5
342.14322	2.0
389.25403	2.2
491.25049	3.2
533.29846	3.3
550.29474	6.3
551.13812	35.1
551.22760	3.6
551.31067	26.0
552.14258	2.5
561.20917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
57.03450	3.3
58.00605	4.5
59.01385	83.5
60.01712	1.4
61.98837	96.0
62.98558	1.4
69.03440	2.0
69.57066	7.8
71.01388	66.3
72.99325	3.8
73.02946	18.0
75.00880	2.6
83.01377	5.2
85.02959	14.2
87.00894	3.6
87.04544	3.8
88.98836	1.8
89.02452	76.7
90.02786	1.3
95.01425	3.6
95.05013	1.2
97.02943	2.6
97.06609	1.4
98.20632	2.0
99.00892	19.6
99.01518	1.7
99.04551	2.1
101.02451	40.1
101.06108	3.1
109.02968	1.5
113.02453	17.9
115.04080	1.4
116.92840	5.3
117.05581	12.5
119.03510	12.5
123.08205	1.2
125.02451	7.4
125.09779	1.6
131.03525	14.1
133.02983	6.0
135.04547	2.6
137.02478	1.6
139.07631	1.6
143.03500	2.3
149.04562	34.9
157.08740	3.5
161.02463	17.1
161.04544	6.5
163.04004	1.4
171.10321	2.3
179.05569	5.4
180.06721	3.8
181.07050	2.9
181.12453	1.7
191.05586	8.2
207.82828	1.1
209.65822	1.0
218.26221	1.0
225.11385	2.2
251.07657	1.8
286.04138	2.0
287.04681	1.6
369.23309	1.3
375.27609	3.5
377.18268	2.2
387.24426	1.5
417.25015	19.9
418.25522	1.1
433.10565	1.4
549.29523	100.0
550.21686	3.7
550.29877	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01600	0.7
57.41127	0.6
58.33333	0.6
59.01381	100.0
61.98835	16.9
71.63138	0.8
83.05036	1.6
102.75621	0.6
109.03016	0.7
120.34802	0.6
121.02927	1.2
137.70993	0.7
145.57802	0.6
149.06097	0.7
176.15256	0.7
227.07240	1.0
258.31821	0.6
278.40329	0.6
300.39716	0.7
302.71085	0.7
489.22888	4.7
513.28314	1.1
549.31403	1.8
556.10980	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	549.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86124	0.7
55.01886	3.7
56.01371	0.8
56.82642	0.6
57.03449	6.4
58.00581	2.6
59.01382	59.9
61.98825	1.1
63.94101	0.6
69.03449	1.6
69.50305	1.3
69.50718	3.5
71.01385	59.5
71.05017	1.5
72.99310	3.4
73.02948	10.5
74.99084	4.8
75.00857	1.0
76.98682	1.9
81.03443	1.3
83.01395	7.5
85.02956	21.4
87.00883	5.1
87.72530	0.6
88.50980	0.6
89.02448	42.8
90.02723	0.9
92.94904	0.7
95.01389	4.0
95.05046	0.9
97.02950	1.9
98.20596	1.4
99.00890	5.3
99.04521	1.5
101.02448	42.5
111.04482	0.9
113.02454	32.6
113.06092	0.7
119.03504	16.5
123.04539	1.1
125.02449	7.0
127.32163	0.8
131.03502	3.8
136.99135	2.8
137.02393	2.1
137.09711	1.2
138.06856	6.6
138.98685	1.3
141.00110	1.1
143.03529	7.1
149.02417	0.7
149.04520	1.4
153.09209	19.3
154.09547	0.9
159.03072	1.4
161.02507	1.5
161.04565	23.7
163.06267	1.0
178.08650	0.8
179.05612	9.7
183.01196	1.6
183.10387	0.8
207.13902	2.5
223.13371	0.8
225.14967	32.9
226.15298	2.1
227.06805	1.1
295.10876	0.9
321.04401	5.8
322.04697	1.0
323.09833	4.1
387.20218	30.2
388.20279	2.2
549.17615	6.5
549.25525	100.0
550.17578	1.0
550.25934	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	549.1976
Annotation	Eucommin A
Peak:m/z	Relative Intensity
53.68847	0.8
56.80324	0.8
57.03442	0.9
58.50291	0.8
59.01377	9.9
61.98832	55.7
69.03458	3.4
70.29643	1.1
71.01380	4.6
72.99306	2.0
73.02936	2.0
81.03467	1.8
83.01389	2.0
83.05019	1.4
85.02940	2.3
89.02440	3.5
95.01405	1.9
97.02949	2.5
99.00857	1.3
99.04507	1.5
101.02442	3.6
108.02200	1.5
109.02959	1.6
113.02452	1.9
115.03925	1.0
116.95313	0.8
121.06583	1.2
123.00894	8.2
123.04483	1.4
124.01669	25.9
125.02444	41.5
125.06078	0.9
136.07719	0.8
137.02402	2.9
137.06071	1.3
149.04567	1.2
149.99579	30.7
151.00386	4.5
161.04601	1.5
168.00636	53.0
169.01378	5.1
313.05655	1.6
489.26447	1.1
548.37872	1.5
549.19806	100.0
549.29614	8.1
550.20129	11.9
573.24036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2477
Annotation	Tigloylseneganolide A
Peak:m/z	Relative Intensity
51.67326	1.4
57.03439	3.5
59.01386	33.7
61.98834	73.0
67.45594	1.6
71.01041	1.9
71.01389	20.1
72.99268	1.4
73.02960	8.5
73.96557	1.5
83.01362	3.3
84.55197	1.6
85.02947	7.4
87.00890	2.0
89.02431	10.7
90.98733	1.6
97.02917	1.7
99.00874	3.0
99.04472	1.8
101.02467	13.0
108.02169	2.6
109.02925	4.9
113.02423	7.2
119.03455	3.7
121.02844	2.0
122.70277	1.6
123.04519	1.9
125.02399	6.2
129.05583	3.1
131.03522	2.5
136.01630	2.7
136.86345	1.4
137.02435	4.6
151.03926	3.8
152.01111	3.8
161.04570	4.4
165.01840	1.7
166.02710	1.9
174.14561	2.0
179.05605	1.9
181.04961	3.0
181.43391	1.8
236.79153	1.7
245.18771	1.6
347.20963	1.7
351.21591	3.7
369.22644	2.2
387.14587	9.0
387.23663	1.8
419.22580	2.2
424.60583	1.7
503.24710	6.1
549.24384	100.0
550.25385	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	549.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01380	3.8
61.98832	4.1
70.93862	0.8
71.01390	2.8
73.02946	2.9
83.01385	1.8
85.02969	0.6
89.02447	1.5
99.00893	0.6
99.92588	10.4
100.92594	0.4
101.02467	1.9
109.02950	0.4
113.02434	0.7
116.92863	100.0
117.01939	4.0
117.92873	4.1
119.03519	0.6
123.04488	0.4
137.02451	0.6
163.06129	0.6
180.06700	1.3
201.11324	1.2
227.03534	1.3
255.02994	0.9
273.28577	0.4
284.03287	1.1
285.04175	1.0
369.22803	0.5
387.14526	3.8
388.14355	0.4
431.09702	2.3
531.27863	0.4
549.20837	0.8
549.29260	10.6
550.29236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
61.98825	2.1
68.75388	0.3
69.51516	2.2
75.65603	0.3
77.03954	1.7
93.03452	0.6
101.91688	0.2
102.64964	0.2
121.02957	100.0
122.03276	2.9
137.02440	0.5
143.63522	0.3
165.01929	53.3
166.02237	1.5
180.05746	0.5
181.06587	3.0
197.06084	2.5
207.04597	0.5
207.08119	0.4
216.61537	0.3
225.05519	1.8
257.09772	0.6
313.07175	1.3
357.06134	0.9
383.07632	0.4
391.89633	0.3
402.98499	0.3
417.09485	2.5
505.11432	1.4
549.10382	28.5
549.30115	1.0
550.10669	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1857
Annotation	Kurramine 2'beta-N-oxide
Peak:m/z	Relative Intensity
53.98590	0.4
56.98034	1.0
57.03453	0.7
58.84806	0.5
59.01381	5.1
60.97536	1.3
61.98837	6.6
69.29429	4.5
71.01388	3.7
72.10368	0.4
72.97558	0.5
73.02947	1.6
73.98325	4.1
74.99100	100.0
75.99433	1.3
82.95419	0.7
83.01428	0.6
85.02963	1.5
87.00857	3.3
89.02455	3.3
94.98099	2.4
99.00884	0.4
101.02431	2.7
111.00900	0.6
113.02410	2.5
119.03477	1.1
120.99666	1.1
125.02457	1.1
134.58614	0.5
136.99149	84.1
137.99461	1.4
141.02304	0.5
154.48743	0.5
159.10297	0.7
161.04610	1.0
165.05530	0.6
179.05594	0.7
180.88858	0.5
180.90341	0.5
196.40286	0.5
229.00624	0.5
237.04443	0.8
253.90346	0.5
276.70493	0.5
299.04398	1.0
347.14969	1.0
379.86197	0.5
397.28336	0.6
439.25378	0.4
547.18439	30.3
548.18829	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	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89497	0.2
57.03452	0.4
58.78360	0.3
59.01378	2.8
59.20640	0.3
61.98831	100.0
63.99237	0.2
65.63618	0.2
69.03450	0.3
71.01395	1.6
71.62821	0.4
73.02961	0.8
83.01377	0.2
83.27105	0.2
85.02970	0.9
87.00895	0.3
89.02452	0.9
93.03470	0.4
95.01417	0.4
97.02941	0.3
99.04584	0.4
101.02443	0.9
105.14938	0.2
107.01430	0.3
108.02187	0.5
109.02956	0.4
113.02441	0.6
123.00896	1.2
124.01668	2.7
125.01556	0.2
125.02444	5.4
125.03297	0.4
135.16986	0.2
137.02455	1.3
149.04596	0.4
149.99593	2.6
152.01190	0.6
160.99332	0.2
161.04678	0.3
168.00642	6.7
169.01370	0.4
174.49214	0.2
227.03592	0.3
375.27725	0.2
386.32959	0.7
429.10233	0.3
548.29523	1.4
548.38531	1.3
549.12439	1.5
549.19733	9.0
549.28979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01381	6.3
60.97526	1.7
61.98834	10.2
71.01385	7.5
71.63089	0.6
72.99323	1.0
73.02949	1.2
73.98322	3.2
74.99101	100.0
75.99442	1.1
83.01402	1.4
85.02969	2.2
87.00889	9.1
89.02455	3.5
93.34383	0.6
96.96007	1.0
97.02955	0.6
97.14912	0.5
99.00916	0.7
101.02435	3.6
109.02948	1.1
111.00889	1.9
113.02433	3.0
115.00376	10.5
115.51488	0.6
119.03512	0.7
120.99678	2.5
125.02462	1.8
136.99152	88.3
137.99516	1.1
139.00356	2.8
141.76370	0.6
143.03517	1.2
157.01450	4.4
158.08290	0.6
161.04539	2.0
163.06131	0.7
175.02487	19.2
175.03952	1.2
179.05663	1.2
179.10789	1.2
212.28610	0.7
283.05469	0.8
288.79684	0.6
295.10898	1.2
325.12018	0.6
339.09869	1.0
371.12604	2.0
420.45599	0.7
429.13080	0.8
467.14694	1.4
485.15747	1.8
487.13593	0.8
547.18201	8.7
548.18646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.1
61.98837	3.9
70.10397	1.3
71.01382	7.2
72.99298	1.9
74.99100	4.8
75.00855	0.8
78.95884	0.8
83.01378	2.3
85.02952	2.4
87.00872	5.0
89.02441	6.8
90.00389	0.8
95.01395	0.9
96.96022	1.3
96.96983	1.2
99.00854	1.9
101.02464	5.4
104.00738	0.7
111.00837	0.9
113.02460	4.2
113.99573	3.7
115.00368	10.4
119.03490	1.7
125.02436	1.7
136.99106	3.3
137.00015	0.7
144.00317	0.7
149.02437	0.8
149.04462	0.8
163.04028	0.9
174.01709	27.0
175.02499	8.3
179.03397	0.8
179.05710	0.9
179.07115	1.0
181.05032	1.0
193.08603	0.8
205.05008	0.9
221.51263	0.7
251.09262	1.2
263.09354	1.3
279.08688	2.2
307.08292	1.1
381.95715	0.8
487.14502	14.8
488.14999	2.0
507.81427	0.8
547.16675	100.0
548.17004	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	547.1671
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
59.01380	9.6
61.98820	2.9
63.18593	0.8
65.90862	0.7
71.01379	7.9
71.39409	1.3
72.99333	0.7
74.99105	4.0
75.00871	1.4
77.05624	0.7
83.01380	1.8
85.02976	1.8
87.00885	5.3
88.98805	0.9
89.02448	6.3
96.96079	0.8
97.62760	0.7
101.02440	4.6
102.98615	1.0
113.02440	2.9
113.99625	4.4
115.00364	11.7
119.03463	2.1
119.04998	0.8
120.99717	0.9
136.99139	3.6
149.02408	2.5
163.03978	1.1
174.01697	28.1
175.02493	8.5
176.28120	0.8
179.05653	1.2
179.07146	1.2
192.07896	1.0
193.08549	1.5
205.05147	1.3
208.03751	1.9
223.06071	3.8
261.07813	1.5
263.09314	2.6
279.08688	2.6
325.09247	1.1
487.14642	12.2
488.14893	1.4
547.16699	100.0
548.17017	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	545.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94978	0.8
57.03465	2.0
59.01382	100.0
60.01725	1.2
60.77669	0.7
61.98831	14.1
69.03463	7.4
71.01384	15.7
71.45589	1.5
72.99329	1.4
73.02953	16.6
74.99117	3.0
75.00880	2.2
80.91691	1.0
83.01392	9.9
83.05021	0.8
85.02957	6.0
89.02454	8.2
91.54346	0.8
95.01421	1.9
96.96024	7.5
97.02925	0.9
97.06630	1.4
99.00910	1.3
101.02448	23.3
111.00916	1.3
113.02457	35.0
115.04032	1.1
117.05584	89.6
118.05900	2.0
119.03523	7.2
123.04523	1.4
124.01661	1.1
125.02489	4.2
127.17064	0.8
131.03511	7.4
136.99159	3.7
137.02437	2.1
143.03545	2.9
149.04617	2.2
151.03883	0.7
159.06631	9.9
161.04559	8.4
163.06259	0.9
168.00708	1.4
173.33510	0.7
178.05092	2.2
179.05569	0.9
189.07674	11.4
219.08743	2.4
221.06540	0.8
279.11011	1.1
285.03937	0.7
292.78436	0.8
331.06772	1.3
334.13446	0.8
423.18967	0.8
545.18335	1.8
545.25824	7.5
546.26892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08857	0.2
57.03453	0.3
59.01379	1.9
59.04171	0.2
61.98833	100.0
69.42146	2.0
71.01393	1.1
73.02959	0.6
78.95909	0.5
85.02953	0.6
89.02463	0.8
96.96040	0.7
96.96976	0.6
101.02464	1.1
113.02473	0.7
119.03491	0.3
123.04524	0.3
125.02451	0.7
125.73986	0.2
137.02454	0.3
137.11240	0.3
149.04593	0.4
161.04594	0.4
177.02139	0.3
202.76790	0.3
547.18079	0.5
547.27844	0.3
566.58630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62545	1.4
53.73283	1.2
53.84738	1.2
55.01884	2.6
56.69504	1.1
57.03442	5.9
58.00586	3.1
59.01381	89.5
61.98833	59.4
64.53078	1.1
69.03465	1.8
70.83739	4.1
71.01384	69.6
72.99314	4.3
73.02953	16.4
74.77206	1.3
83.01379	5.9
83.05022	2.5
85.02959	14.4
87.00880	5.1
89.02446	94.8
95.01427	1.5
96.71216	1.2
97.02945	3.2
99.00892	3.3
99.03957	1.2
99.04553	2.5
101.02447	56.5
103.03974	2.7
109.06550	1.6
111.00888	1.3
111.08191	1.4
113.02438	16.5
119.03490	8.1
123.04478	1.3
125.02422	5.0
131.03503	28.8
143.03471	4.2
149.04556	100.0
150.04892	2.0
161.04576	7.9
163.06120	5.5
179.05623	3.2
187.09851	1.7
191.05566	11.2
195.13902	2.8
205.07217	1.7
253.09232	8.5
265.14386	4.3
291.19638	7.5
309.20734	23.6
311.09821	5.3
313.55344	1.4
334.96564	1.4
339.18073	3.6
399.23657	4.8
485.24155	8.8
545.27960	16.9
546.28192	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
57.03422	2.0
58.00589	1.3
58.05655	0.6
59.01383	45.5
61.98835	13.8
71.01387	20.5
71.29128	1.1
72.99305	2.8
73.02935	2.9
74.00705	6.1
74.99084	3.0
75.00907	0.9
78.95900	2.7
83.01405	3.5
83.05025	0.7
85.02959	8.9
87.00870	2.8
89.02453	16.7
93.03443	0.7
95.01399	2.0
95.05021	0.8
96.96004	2.4
96.96957	3.7
99.00874	2.1
99.92590	1.3
101.02448	16.7
102.02806	0.8
111.00880	1.4
113.01767	0.9
113.02469	7.6
115.92054	1.2
116.92843	6.3
116.94083	0.6
119.03491	5.9
120.01263	0.7
121.02913	1.5
125.02427	1.3
131.03496	0.9
133.02843	0.7
133.06570	2.4
135.08180	1.0
136.00757	4.4
136.99117	3.2
137.02428	0.8
151.03993	1.0
159.04451	1.7
161.04567	1.0
163.07661	3.0
165.01956	0.8
165.05690	0.7
174.16934	0.7
179.05640	1.6
249.16620	0.7
251.14357	1.1
269.15454	1.9
285.18561	0.7
287.16541	6.7
303.19711	3.6
311.16553	1.1
329.17719	1.2
341.10767	1.4
347.18631	2.3
351.14819	0.7
365.19714	2.7
383.09711	1.6
449.21683	1.4
464.22794	0.6
465.25058	1.5
491.22699	1.5
509.23923	6.6
510.24197	1.1
527.24982	100.0
528.25354	11.4
545.17035	2.4
545.26074	63.4
546.19202	0.9
546.26544	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	544.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82684	0.2
59.01385	7.5
60.01713	0.5
60.44871	0.2
61.98835	100.0
63.65400	0.2
63.99251	0.3
66.61909	0.2
71.01381	0.3
71.12104	0.6
78.95953	0.4
80.96550	0.3
82.15420	0.4
191.15144	0.3
196.89444	0.3
220.77235	0.3
255.94449	0.3
313.32999	0.3
406.83585	0.3
451.10065	0.3
544.35358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48650	0.3
56.73230	0.2
59.01377	1.6
59.09287	0.3
61.98833	100.0
71.01385	0.7
71.63650	0.2
75.80042	0.2
78.91986	0.2
81.59209	0.2
83.05120	0.2
89.02442	0.4
99.04514	0.3
101.02455	0.6
106.68944	0.2
109.71622	0.3
125.02461	0.3
133.41199	0.3
137.02307	0.3
212.69794	0.3
227.60048	0.3
236.80229	0.3
309.20850	0.4
311.81244	0.3
336.71719	0.3
452.76495	0.3
544.26599	0.8
545.27679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88692	0.5
54.26839	0.6
57.03440	0.7
59.01379	45.1
60.01711	2.2
60.32508	0.6
61.98831	100.0
62.48221	0.6
62.86958	0.6
70.04173	3.1
70.62231	0.7
78.95907	3.3
79.73281	0.7
83.05013	0.9
92.39412	0.6
97.06652	0.6
99.92622	1.5
102.86586	0.7
110.98495	0.6
119.29767	0.6
121.02965	2.4
125.06104	0.6
149.02444	12.5
164.04843	1.1
167.98668	0.6
169.42659	0.6
179.89220	0.7
180.89970	0.6
193.90797	1.8
194.91687	0.8
196.89526	3.2
198.76503	0.6
205.87062	0.7
232.09758	0.6
243.64149	0.8
246.79686	0.7
320.57458	0.7
376.82785	0.8
457.33362	0.9
508.69998	0.7
530.26746	1.3
545.16589	1.7
545.28864	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	545.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79485	1.0
55.01852	2.5
57.03429	3.3
58.00586	2.3
59.01381	50.6
61.98833	59.3
62.26136	0.8
66.66560	0.9
67.03971	0.9
67.22597	1.1
67.67677	0.9
69.03450	3.0
71.01386	53.7
71.04978	1.2
71.63526	0.8
71.63906	1.2
72.01716	1.0
72.99284	4.3
73.02950	17.8
74.99069	1.0
75.00864	2.2
80.37845	0.9
81.03455	2.1
83.01394	9.8
83.05016	1.8
85.02496	1.3
85.02953	16.8
87.00883	5.3
87.04491	2.0
89.01918	1.8
89.02452	33.5
93.03439	1.1
95.01348	2.8
95.04990	2.1
96.95972	1.0
97.02917	3.5
99.00335	1.1
99.00884	14.1
99.04500	2.6
101.02449	41.2
103.04029	6.1
108.02138	1.2
109.02946	1.6
111.00874	1.2
113.02451	12.8
115.03982	1.8
119.03507	9.2
121.02905	1.3
121.06618	1.6
123.04518	2.1
123.08060	1.1
125.02459	8.7
127.04000	1.1
131.03499	7.6
137.02448	1.9
137.09663	1.3
143.03438	3.2
145.05008	1.3
148.01694	5.0
149.02437	11.3
149.04474	3.9
151.03972	1.1
152.01106	2.0
159.02916	1.7
161.04553	9.2
163.06134	11.9
163.07475	1.0
167.03304	0.9
176.01126	4.8
177.00499	1.5
177.01923	24.0
177.09117	3.7
179.05553	1.4
179.10706	1.1
185.60146	0.9
187.09523	1.6
191.05589	4.4
191.10664	0.9
205.07071	4.5
209.11876	1.2
228.56377	0.9
229.07043	1.2
233.06589	1.3
241.08810	1.4
247.08112	1.8
251.16409	4.0
261.58987	1.0
285.03735	1.2
289.06943	1.0
293.08423	1.2
309.20575	1.3
315.07117	2.2
339.18051	6.5
353.20004	1.0
388.34830	1.0
399.23941	10.5
400.24060	1.2
405.97437	1.0
413.21552	2.9
485.23807	7.7
501.17700	2.1
516.68561	1.0
545.17456	3.3
545.25854	100.0
546.18036	1.6
546.26349	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	544.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
59.01384	1.5
61.98834	100.0
63.73108	0.2
63.99262	0.3
65.65726	0.2
69.59427	0.9
69.59857	0.5
71.01377	0.9
72.99335	0.3
73.02960	0.3
74.99101	2.2
75.00916	0.2
83.01425	0.2
84.04567	0.2
85.02975	0.3
88.98824	0.5
89.02447	0.9
92.69546	0.2
96.96033	0.3
98.20590	0.4
99.00935	0.2
101.02480	0.8
109.02969	0.2
113.02457	0.4
120.01211	0.2
120.99691	0.4
125.02463	0.6
133.77834	0.2
136.99168	1.5
137.02432	0.3
139.04010	0.2
142.15112	0.2
162.47545	0.2
189.80000	0.2
217.01468	0.2
417.61395	0.2
481.11560	0.3
544.24658	1.0
545.16852	1.2
545.24921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08822	0.2
53.66561	0.2
59.01387	1.3
61.98837	100.0
64.15477	0.2
66.74570	0.2
69.52681	1.5
71.01389	0.8
73.02962	0.4
85.02984	0.3
87.00891	0.2
89.02448	0.3
98.19831	0.4
101.02465	0.8
108.36192	0.2
109.80873	0.2
113.02473	0.3
117.05640	0.4
121.29385	0.2
125.02493	0.6
129.15636	0.2
172.80617	0.2
194.02332	0.2
276.35718	0.2
399.23746	0.2
544.28015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01389	2.2
60.91407	0.2
61.98835	100.0
65.33266	0.2
71.01399	1.2
71.63438	0.3
72.99352	0.3
73.02952	0.4
75.00900	0.2
85.02977	0.6
89.02452	1.1
99.00938	0.2
99.04565	0.2
101.02457	0.9
102.40587	0.2
118.60469	0.2
125.02481	0.3
131.03537	0.5
137.02446	0.3
149.04568	0.8
161.04558	0.3
163.06148	0.2
191.05589	0.3
214.80255	0.2
219.14035	0.2
249.05087	0.2
309.20724	0.2
500.54306	0.2
544.27057	0.8
545.27820	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	542.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
60.99307	0.3
61.98836	100.0
63.99260	1.0
71.01395	1.2
71.63379	0.4
73.02967	0.5
75.00868	0.4
85.02957	0.5
87.00900	1.0
88.00380	0.7
88.98817	3.2
89.02434	1.8
101.02485	0.9
113.02484	0.3
119.03461	0.4
123.04652	0.4
125.02451	0.6
149.04610	0.4
161.04500	0.4
189.50407	0.3
222.93068	0.3
292.46509	0.3
379.21906	0.3
543.23389	0.7
547.52277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35482	0.4
56.14694	0.4
58.59101	0.4
59.01385	33.7
60.01712	1.5
61.98835	100.0
62.15792	0.5
63.99278	0.5
64.77613	0.5
70.76685	1.6
74.69012	0.4
75.76162	0.5
108.31897	0.5
114.38240	0.5
133.01622	0.7
149.02414	2.5
150.04222	2.3
164.36147	0.5
192.05376	0.9
196.24568	0.4
267.23291	0.8
482.30167	1.0
542.29419	0.8
543.27344	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	542.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.0
60.08342	0.5
61.98837	100.0
62.18444	0.5
63.67659	0.4
71.01378	1.3
71.62289	0.9
71.62650	0.6
75.00889	1.7
83.05059	0.5
85.02995	0.7
101.02463	0.7
120.83190	0.5
123.08250	0.5
125.09724	0.6
134.61157	0.6
161.04666	0.7
261.07675	0.5
542.24866	1.2
543.26105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49279	0.4
55.01865	0.6
57.03452	0.9
58.00599	1.2
59.01381	26.9
61.98829	4.8
69.03461	0.6
70.00258	2.0
71.01382	15.5
71.05025	0.5
72.99311	1.5
73.02944	0.8
74.99058	0.7
83.01401	1.0
83.13950	0.5
85.02969	3.9
86.17175	0.4
87.00883	1.3
89.02446	15.0
95.01386	1.4
95.05007	0.5
97.06577	0.7
98.19968	0.9
99.00912	1.0
99.04498	0.9
101.02443	10.1
113.02454	5.3
113.99606	0.6
115.00401	0.7
119.03508	5.2
121.02982	0.5
125.02432	0.7
125.06083	1.9
129.01900	0.6
133.06645	0.7
135.08174	0.5
136.99139	0.5
137.02475	0.5
137.09734	0.9
143.01680	0.8
143.03542	0.7
147.08055	0.6
149.02452	0.6
149.06148	0.7
149.09737	3.1
151.04021	0.5
151.07651	1.5
165.09137	1.1
167.10764	11.8
167.11938	0.5
174.01654	0.6
175.11250	1.4
201.09227	3.0
213.12856	0.8
216.11484	0.8
223.06116	0.5
231.13866	1.7
265.16101	0.8
275.13022	0.7
277.05704	1.9
283.17026	2.0
301.18048	0.6
327.16071	0.7
337.07770	3.7
338.08176	0.6
345.17050	0.9
363.18076	5.5
381.19485	0.8
404.97226	0.5
447.12091	0.5
483.24359	0.9
507.22546	0.6
525.22864	0.5
543.14490	3.7
543.24457	100.0
544.13458	0.5
544.15900	0.6
544.24908	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	542.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63450	0.2
59.01375	0.6
61.98831	100.0
69.55035	1.4
71.01397	0.5
73.02969	0.2
86.88773	0.2
89.02456	0.5
98.19896	0.4
101.02451	0.3
113.02402	0.2
125.02467	0.5
126.45259	0.2
131.03558	0.2
136.46576	0.2
139.52417	0.2
141.82143	0.2
161.71725	0.2
165.01915	0.2
166.05190	0.2
168.00677	0.3
177.04941	0.2
185.59628	0.2
218.02319	0.3
295.83191	0.2
337.07620	0.2
401.20264	0.2
482.22729	0.4
511.46695	0.2
543.13885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3024
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01876	1.5
57.03453	3.2
58.00596	0.8
59.01387	96.1
61.98836	32.4
69.03484	0.9
71.01391	22.4
71.19350	0.8
71.63363	1.3
72.99309	2.0
73.02946	6.8
73.66810	0.8
77.23469	0.7
78.22540	0.8
83.01400	3.2
83.05011	1.1
84.80319	0.9
85.02959	9.9
87.00883	1.5
89.02451	8.7
95.01385	2.3
95.05013	1.4
97.02930	1.3
99.00895	2.8
101.02453	19.9
107.39621	0.7
110.17622	0.7
111.04514	0.9
112.02716	0.8
113.02452	9.5
119.03502	2.1
121.06562	1.0
121.44759	0.8
123.04573	0.9
125.02451	2.2
135.08171	0.9
137.42111	0.8
143.03468	1.0
149.06073	1.1
159.03017	2.5
161.04556	10.2
179.05699	1.3
187.11226	0.9
193.12372	0.9
197.15407	1.3
249.11436	0.9
289.07321	1.2
297.13416	2.0
319.22803	6.5
320.22998	1.1
349.22272	1.5
391.46146	0.9
456.62735	0.9
463.26932	2.9
481.28064	100.0
482.28397	10.9
497.26035	1.4
525.27045	4.4
541.24426	8.1
542.24481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01382	100.0
60.01722	0.9
61.98833	36.0
69.54716	3.0
71.01395	1.6
71.05026	0.9
72.99296	1.0
73.02958	2.6
75.00871	6.2
80.21017	0.5
83.05033	7.0
85.02966	0.8
85.06593	1.3
95.05012	0.6
97.06626	1.1
99.04530	2.8
101.06087	2.4
108.37162	0.4
109.02982	0.9
109.06612	0.7
111.04520	3.9
113.02409	0.7
123.04527	0.6
123.08176	1.4
125.02442	0.6
125.06072	1.0
125.09817	0.7
127.04018	6.8
127.07667	4.7
129.05585	8.7
141.09207	4.2
161.04665	0.6
165.09221	0.9
165.12868	0.6
173.09781	0.6
179.07199	0.6
191.10741	0.6
210.86082	0.5
233.11929	0.5
249.11423	0.6
262.27005	0.5
279.12439	0.7
291.23535	0.7
295.15811	0.5
298.14575	0.7
313.23816	0.7
319.22849	1.9
369.26566	0.8
419.31848	1.4
437.32715	19.4
438.32910	2.4
450.35443	0.5
463.30621	7.7
464.30841	1.1
479.33994	1.3
481.31537	1.6
497.25528	0.8
497.34610	0.6
523.33112	1.2
541.24091	2.7
541.33887	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	540.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26352	0.2
59.01387	2.0
61.98837	100.0
69.49372	1.2
70.10376	0.1
90.61797	0.1
109.03994	0.1
115.92097	0.2
116.92910	0.2
118.43258	0.2
129.78047	0.2
176.06706	0.2
211.11879	0.2
271.58011	0.2
280.99405	0.1
284.60660	0.2
362.11371	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	540.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87408	0.3
59.01372	0.9
61.98836	100.0
84.88843	0.2
98.20633	0.7
101.02447	0.3
102.97233	0.2
110.43755	0.3
166.39400	0.3
170.64719	0.2
171.76196	0.2
193.11711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62989	0.8
55.01874	3.3
57.03442	3.2
58.00599	1.9
59.01384	100.0
60.01712	1.0
61.98833	34.0
63.99300	1.0
69.03458	1.4
69.40025	2.4
69.40438	6.6
71.01385	34.1
72.99310	1.6
73.02954	12.2
75.00848	1.1
78.91890	1.2
83.01401	6.3
83.49361	0.8
85.02958	18.2
87.00876	3.2
88.66368	0.9
88.98806	3.4
89.02451	13.0
93.18565	0.9
95.01389	3.2
96.96001	1.2
97.02941	1.5
97.52629	0.9
99.00883	4.2
99.04556	1.3
101.02451	27.3
111.00922	1.1
113.02446	14.3
117.55247	0.9
119.03499	5.9
121.06625	0.9
123.04560	1.9
125.02443	3.3
129.01926	1.1
131.03577	1.0
135.04445	0.9
143.03511	2.5
151.00336	1.2
155.10867	1.1
159.02975	2.7
161.04568	11.5
177.20103	0.9
179.05695	1.4
196.98074	1.3
265.21384	1.1
275.20197	2.2
278.26666	0.9
279.02936	0.9
301.18015	2.1
319.19025	2.2
349.22165	5.7
377.06815	1.8
407.24176	1.1
419.24969	1.9
451.23337	10.3
463.23401	34.4
464.23883	2.0
481.24319	31.4
482.24908	3.6
541.23370	2.2
541.31958	1.0
542.22046	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	540.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40774	0.2
59.01387	0.8
61.98835	100.0
62.98518	0.2
69.36856	1.7
69.37277	0.7
71.01402	0.3
89.02465	0.5
101.02489	0.3
123.35296	0.3
129.20146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25518	0.2
59.01381	0.8
60.99311	1.1
61.98831	100.0
69.31651	2.0
71.01403	0.5
77.99746	0.2
87.00885	1.0
88.00410	1.5
88.98808	10.5
89.02451	0.7
98.71296	0.2
100.04730	0.2
101.02444	0.4
109.02965	0.2
119.35072	0.2
123.04582	0.2
123.77871	0.2
125.02464	0.2
137.02463	0.2
165.05579	0.3
195.13779	0.2
209.07985	0.2
227.76088	0.2
228.97768	0.2
298.33984	0.3
480.24313	0.4
540.22235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56423	0.2
58.00621	0.2
59.01385	4.4
61.98832	100.0
69.32619	2.3
71.01378	2.3
72.01715	0.3
73.02951	0.7
78.95898	0.3
83.01392	0.7
85.02966	1.0
87.00888	0.3
87.04564	0.3
88.98827	0.4
89.02448	1.1
96.70942	0.2
98.20631	0.6
101.02451	2.1
101.06059	0.3
109.02988	0.6
113.02477	1.0
119.03581	0.2
123.04559	1.0
125.02474	0.8
129.25816	0.2
130.91499	0.2
135.04515	0.4
137.02473	0.5
151.04030	0.7
152.01337	0.2
153.02016	0.3
153.05589	0.5
161.04581	0.7
161.05981	0.3
164.03619	0.2
165.02017	0.3
179.07236	0.3
194.91823	0.6
196.91490	0.8
205.05247	0.3
221.51958	0.3
233.11845	0.3
289.07236	0.6
322.08945	0.3
347.20898	0.2
348.21091	0.3
349.22339	2.5
480.26001	0.3
480.33069	0.3
481.26486	1.5
540.23309	1.7
540.33679	0.5
541.22876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81582	0.4
59.01390	2.3
61.80046	0.4
61.98831	100.0
69.43906	3.0
71.01383	1.5
79.41284	0.4
83.01392	0.4
85.02950	0.4
89.02471	1.7
101.02469	1.3
111.33583	0.4
112.41921	0.5
113.02483	0.7
117.66766	0.4
117.78699	0.4
119.03478	0.6
122.03803	0.5
132.77017	0.4
149.02409	0.6
150.03249	2.4
151.03625	0.9
162.03151	0.5
165.05560	2.2
166.06010	1.3
191.38783	0.4
195.06654	1.0
196.07019	1.0
230.42038	0.4
263.02322	0.4
270.37979	0.5
272.29108	0.5
310.14041	0.4
355.66217	0.4
480.24390	1.2
491.18985	0.7
492.19598	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	540.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	54.7
60.01708	1.9
61.98834	100.0
63.68657	0.8
71.64427	0.8
93.98521	0.7
99.92626	1.9
100.92602	1.6
115.92073	3.2
116.92101	1.4
116.92809	1.4
182.88629	0.9
255.23282	1.8
325.59875	0.8
421.28064	0.9
480.29636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66797	0.5
59.01378	9.1
61.98833	100.0
62.64931	0.5
69.42799	0.5
70.14210	2.1
72.53225	0.6
73.10445	0.5
78.95887	0.7
79.77568	0.5
80.96538	0.5
82.96301	0.5
98.66226	0.6
115.92088	1.4
116.92859	1.5
154.45482	0.6
277.21597	2.5
370.98630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38066	0.3
56.32205	0.2
59.01380	1.0
61.98833	100.0
69.40624	0.3
69.57478	0.6
69.57890	1.3
71.01388	0.5
71.74800	0.3
72.97556	0.4
73.02953	0.4
75.24442	0.3
75.35168	0.3
80.14066	0.2
84.69317	0.3
85.02971	0.4
89.02487	0.6
101.02468	0.5
106.15527	0.3
106.44129	0.3
106.83158	0.3
117.86804	0.3
139.00362	0.4
162.69673	0.3
179.05876	0.3
240.96455	0.3
263.27863	0.3
277.32181	0.3
306.98553	0.3
378.12888	0.8
480.24179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38066	0.3
56.32205	0.2
59.01380	1.0
61.98833	100.0
69.40624	0.3
69.57478	0.6
69.57890	1.3
71.01388	0.5
71.74800	0.3
72.97556	0.4
73.02953	0.4
75.24442	0.3
75.35168	0.3
80.14066	0.2
84.69317	0.3
85.02971	0.4
89.02487	0.6
101.02468	0.5
106.15527	0.3
106.44129	0.3
106.83158	0.3
117.86804	0.3
139.00362	0.4
162.69673	0.3
179.05876	0.3
240.96455	0.3
263.27863	0.3
277.32181	0.3
306.98553	0.3
378.12888	0.8
480.24179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98836	100.0
63.99265	1.1
69.61784	3.5
69.62203	1.2
71.01379	1.1
85.02980	0.6
89.02467	0.7
89.17932	0.5
123.54456	0.6
125.02452	0.7
151.00386	1.3
187.86601	0.6
191.14708	0.7
197.09581	0.6
199.04001	0.9
242.02219	1.5
243.02992	9.3
257.04593	3.4
270.01733	1.7
271.02475	9.6
272.02945	1.0
285.04041	6.5
286.04752	1.4
299.01923	3.4
300.02783	2.5
300.15030	0.6
314.04364	17.5
315.04916	5.6
396.31580	0.6
477.10403	46.7
478.10742	5.1
510.86472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02086	1.2
57.03461	1.4
58.19865	1.0
59.01376	3.5
61.98833	100.0
65.95940	1.1
67.59029	1.0
69.60204	8.5
71.01382	2.0
71.40455	1.1
76.83131	1.3
85.02950	1.6
87.04499	1.5
89.02464	1.6
90.64739	1.1
101.02435	1.6
117.01984	1.1
125.02481	1.5
136.90170	1.1
151.04076	1.1
161.04512	1.2
242.02203	2.1
243.02982	13.4
257.04532	3.8
270.01596	3.3
271.02515	11.5
285.04071	5.4
286.04752	1.8
299.01929	3.3
300.02744	1.6
314.04321	23.9
315.04941	4.7
443.86639	1.4
477.10400	52.6
478.10791	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	540.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34260	0.5
56.88093	0.5
58.00594	0.6
58.34364	0.5
59.01375	1.0
61.98516	1.0
61.98829	13.5
69.26665	5.6
71.01386	2.4
72.00526	0.9
72.00907	11.3
73.02933	0.8
73.64701	0.5
78.95908	7.5
85.02940	0.9
87.00869	1.7
89.02425	0.8
96.96005	1.6
96.96992	2.7
101.02473	1.0
104.23322	0.5
107.24908	0.5
109.03021	0.6
113.02406	0.8
118.04931	0.5
119.04973	0.9
121.02969	1.4
134.04718	1.8
137.02510	0.8
145.02943	0.6
147.04526	37.6
148.04858	1.9
149.02429	9.6
150.03230	15.5
150.04471	0.5
152.01152	0.8
158.92528	2.0
161.02483	1.2
161.04535	2.7
162.03275	1.4
163.03992	0.6
164.04832	4.9
164.07166	100.0
165.05571	39.9
165.07524	3.5
166.05933	1.3
177.05571	1.1
180.04285	1.5
180.06569	0.6
195.06624	17.4
203.82318	0.5
222.39316	0.5
272.95724	1.1
298.22443	0.6
315.07358	1.1
324.10431	0.5
327.10876	11.8
328.04422	0.9
328.11267	0.9
346.05536	0.7
357.11951	0.7
358.14142	0.7
390.69803	0.5
540.05347	1.5
544.89978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52545	0.5
56.78337	0.5
57.03441	0.7
59.01383	100.0
60.01718	1.0
61.98831	9.9
69.91035	2.5
71.01413	0.6
73.02959	2.0
78.95937	0.9
83.05044	1.1
85.02995	0.7
89.49857	0.5
98.19877	0.7
111.04494	0.7
113.02455	0.5
121.06548	0.5
122.03781	1.2
123.04570	0.7
125.50369	0.6
135.08206	0.6
137.06134	0.6
139.07661	1.0
139.40974	0.5
157.70036	0.6
164.04837	0.8
167.03589	0.7
179.07167	0.8
231.10326	0.9
335.22058	0.6
369.26782	0.7
380.77057	0.6
434.04330	0.6
435.31128	8.6
436.31454	1.1
453.32401	2.2
479.30038	1.7
495.23822	1.7
539.23285	2.0
539.31207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15514	0.5
59.01382	100.0
60.01723	1.4
61.98832	17.4
70.76886	1.1
70.77285	0.9
83.05057	0.7
93.62091	0.6
102.20244	0.5
149.06082	0.9
156.39981	0.5
161.69254	0.5
183.08122	3.2
199.07735	0.7
199.11250	5.4
243.10246	8.0
344.05911	0.5
423.37173	0.6
443.70190	0.6
479.28033	6.5
480.28897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
57.03450	4.7
58.95785	1.8
59.01385	85.3
61.98837	46.1
63.96254	1.9
71.01387	48.1
71.63161	3.3
72.99313	9.9
73.02952	19.3
75.00895	2.5
83.01396	16.7
85.02955	26.3
87.00898	4.6
89.02447	6.1
95.01375	3.0
96.95972	2.4
97.02936	2.6
99.00900	7.6
101.02447	43.5
101.03078	3.6
102.02803	2.1
103.04058	2.4
104.15440	1.9
108.02216	1.9
111.00920	2.8
111.04556	2.5
113.02454	16.4
125.02505	4.5
152.01158	2.8
159.03024	3.2
161.04562	13.5
163.06157	2.4
165.11888	1.9
219.61757	1.8
245.08197	2.2
249.11420	2.1
269.17517	3.1
285.16971	3.1
299.09164	1.9
333.22858	69.9
334.23221	4.6
479.28650	100.0
480.29047	10.9
533.29688	2.6
539.22565	4.1
539.36017	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	539.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.0
59.01380	100.0
59.68596	1.3
61.98832	95.3
69.03434	1.2
71.01384	27.6
72.99313	4.9
73.02953	23.3
75.00880	3.4
83.01391	2.6
85.02961	11.7
87.00891	8.0
87.04535	2.7
88.98810	5.2
89.02444	31.4
98.20662	2.8
99.82455	1.1
101.02449	57.0
102.02791	1.6
103.04013	19.7
107.05005	1.4
108.02174	1.6
109.02960	1.5
113.02476	6.3
115.04037	3.9
119.03519	12.7
125.02449	4.5
127.04041	1.7
131.03491	8.4
135.04488	2.3
137.02466	2.6
143.03487	11.6
145.05064	6.9
148.15984	1.4
154.98535	1.3
161.04543	2.6
163.06123	93.6
164.06458	3.4
168.03038	3.8
179.05574	2.3
205.07158	24.7
206.07492	1.4
209.96104	1.2
265.09317	9.8
317.10477	2.9
325.11469	2.7
333.19003	1.5
351.00943	1.4
351.06308	1.3
387.04877	4.7
388.05875	1.6
391.26791	1.4
415.04324	2.0
476.14420	1.6
479.24954	15.9
509.19690	1.4
539.09601	12.9
539.21777	3.7
539.30573	5.0
540.10144	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	539.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05611	0.9
55.01874	4.0
57.03443	1.6
59.01382	27.0
61.98833	45.1
63.41388	1.0
70.20653	2.0
70.21064	3.0
71.01388	42.8
72.99297	1.5
73.02942	7.4
75.00868	1.2
75.40996	1.1
78.95918	1.6
83.01397	9.9
85.02954	1.3
87.00867	1.1
89.02448	26.6
97.02969	2.2
99.00896	1.3
101.02448	100.0
102.02800	1.7
113.02447	4.0
116.92912	1.2
119.03501	19.7
125.02427	1.4
127.54873	1.0
131.03500	7.6
135.60727	0.9
143.03482	3.1
149.04562	1.3
222.56345	1.1
242.65894	0.9
248.19962	1.0
281.24850	51.4
282.25229	3.8
293.24789	1.4
295.26410	25.0
296.26447	1.3
305.24905	2.7
323.25873	10.9
324.26108	1.4
335.25717	1.8
339.25143	1.5
353.26889	4.0
383.28098	2.7
539.37341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77728	1.1
55.01878	1.5
57.03440	5.0
59.01383	18.0
59.95218	1.0
61.98833	100.0
62.98548	1.7
69.03451	1.9
69.37897	10.7
71.01386	23.1
73.02953	8.7
75.00880	2.5
82.72762	1.1
83.01389	4.6
85.02942	9.5
87.00864	1.3
89.02447	12.9
95.01384	3.4
97.02967	2.8
98.19911	2.2
99.00882	5.5
99.04514	3.3
101.02457	16.1
111.00890	3.8
113.02436	10.1
115.04005	1.9
116.92851	1.4
119.03507	2.1
125.02441	6.4
131.03537	2.3
143.03470	3.1
149.02460	1.4
149.04468	1.6
159.02980	1.2
161.04562	11.9
188.51279	1.0
195.12752	1.1
215.09207	1.1
233.06824	2.5
251.11282	1.4
293.08813	2.7
347.17075	1.2
393.48746	1.4
395.15393	2.0
413.16684	9.1
454.22415	1.1
455.17551	4.5
479.21341	57.8
480.21716	4.6
539.19543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
58.00594	1.5
59.01382	20.6
61.98833	100.0
69.28940	1.4
69.29336	12.0
71.01384	32.6
72.99312	2.3
73.02941	9.5
75.00871	1.3
83.01416	2.5
85.02947	8.8
85.34096	1.4
87.00892	3.8
89.02440	23.4
93.03469	13.4
93.05482	1.4
95.01376	2.8
97.02914	2.1
97.85983	1.6
99.00900	6.6
99.04523	1.9
101.02454	24.0
111.00897	3.5
112.68877	1.4
113.02453	11.2
115.03992	1.5
116.92895	1.3
119.03490	5.5
123.04497	1.5
125.02444	4.7
131.03528	2.4
137.02443	36.8
143.03506	2.8
149.04572	6.3
159.02988	1.8
161.04585	9.5
178.86592	1.3
179.05743	1.8
191.05699	2.2
299.07700	6.5
315.07187	2.8
347.17343	6.2
428.19870	1.4
467.54099	1.6
479.21332	92.7
480.21683	12.2
539.17004	3.2
539.26062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03442	1.4
58.00591	1.2
58.57944	0.6
59.01384	15.1
59.63261	0.7
61.70232	0.6
61.98832	25.5
69.39811	6.4
71.01383	16.3
71.77865	0.6
72.99312	2.1
73.02950	4.5
75.00878	9.4
83.01399	4.8
85.02953	10.1
86.00115	0.7
87.00866	1.7
89.02450	4.7
93.03442	0.9
95.01355	1.6
98.19814	1.2
99.00885	2.6
101.02456	12.1
108.02178	0.9
111.00883	1.0
113.02450	5.0
119.03477	1.1
121.02959	5.4
122.03740	6.1
123.04547	1.1
125.02409	1.0
132.02162	0.8
133.02982	5.4
134.03746	1.4
136.01697	1.0
137.02440	1.1
148.22385	0.7
149.02448	30.1
149.06099	2.1
150.03232	37.1
151.03581	0.7
161.04546	1.2
164.04794	5.8
165.05571	30.4
166.06361	4.8
167.07155	1.3
177.01828	0.7
180.04315	1.6
181.08714	6.0
195.06635	11.2
270.09167	0.7
273.18219	0.8
280.64413	0.8
283.09924	1.0
313.07129	1.3
314.11670	5.4
315.12305	1.9
329.13974	11.2
330.14230	0.8
343.13907	12.0
357.14951	0.9
359.11298	4.0
376.72357	0.9
479.21603	0.9
491.19226	100.0
492.19550	11.3
539.21130	15.2
540.21179	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36250	1.1
56.40831	1.1
57.03445	1.9
59.01129	1.4
59.01381	16.5
61.98519	2.2
61.98833	41.9
71.01393	6.5
73.02929	1.0
75.00877	1.4
83.01366	1.3
85.02952	2.3
88.98854	1.6
89.02453	6.6
95.04998	1.8
101.02420	3.6
110.80440	1.2
113.02472	2.3
119.03491	2.7
121.02939	5.3
121.06622	1.1
123.04427	1.9
124.66283	1.1
125.02431	3.6
126.20820	1.0
135.04498	2.1
143.03400	1.3
149.02357	1.6
149.06071	3.2
151.04002	1.4
155.10742	1.5
161.04584	1.5
161.09747	1.4
166.06357	15.6
167.07094	4.3
179.05573	1.4
181.08722	5.8
195.06630	1.2
223.07506	2.1
224.15871	1.1
225.09177	2.5
227.03438	4.2
228.04289	7.6
229.08928	1.0
238.02609	2.0
239.06975	1.6
240.07484	1.3
241.08698	5.2
243.23372	1.2
251.07085	3.5
252.07893	4.9
253.05089	1.5
253.08524	1.5
254.05693	2.7
256.03674	3.9
267.06531	1.4
268.07492	4.1
269.08182	20.4
279.06619	5.4
280.07318	3.6
283.09799	3.1
284.06876	2.2
284.10410	2.4
285.04129	1.7
293.08133	1.3
294.09042	3.6
295.09656	4.2
296.06876	3.6
296.10193	1.2
297.07687	40.3
298.08087	2.4
299.09369	2.6
309.11377	3.7
311.09531	5.7
311.12589	1.4
312.10028	70.0
313.10400	5.4
317.21246	1.6
326.11557	2.7
327.12360	100.0
328.12775	7.0
357.13385	15.1
358.13864	1.3
420.12241	5.7
445.16412	5.4
459.18195	3.1
461.15945	2.2
475.17786	1.7
476.18393	16.6
477.18423	1.9
491.20779	64.0
492.21097	9.1
495.29553	1.5
539.22888	77.6
540.23224	11.7
551.75134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74952	0.7
55.01869	1.9
55.97294	0.7
57.03453	1.4
59.01385	14.4
61.60193	0.7
61.98827	13.1
69.41008	5.2
71.01385	13.9
73.02950	6.6
75.00861	1.6
83.01379	4.5
84.79324	0.8
85.02950	9.0
86.00101	1.1
87.00871	1.5
89.02454	3.1
93.03474	1.8
95.01395	1.5
99.00860	2.1
101.02448	13.2
108.25401	0.7
113.02457	4.8
121.02950	3.0
122.03733	4.9
123.04498	0.9
129.01936	0.9
132.02219	1.0
133.02928	6.0
134.03786	1.1
147.04532	1.3
149.02446	26.8
149.06026	1.6
150.03230	40.6
151.03600	1.0
159.02824	0.9
161.04558	1.3
164.04811	6.7
165.05569	32.7
166.06326	6.1
167.07112	1.7
180.04298	1.6
181.08707	5.8
183.65121	0.7
185.46286	0.8
189.28122	0.8
193.47308	0.7
195.06621	12.2
225.74323	0.7
270.08929	0.9
314.11658	3.9
315.12216	0.9
329.13925	11.1
343.13962	11.8
400.09793	0.8
478.23831	1.9
479.23837	3.6
485.69455	0.9
491.19232	100.0
492.19693	9.4
539.21448	18.0
539.29602	1.7
540.21710	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	539.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.8
61.98828	21.8
68.84319	2.1
71.01384	13.0
71.62260	4.1
72.97533	23.6
73.02930	3.2
81.88760	2.5
83.01398	5.9
85.02957	3.3
87.00874	3.8
88.73454	2.0
88.98790	2.8
89.02460	10.3
93.03432	3.4
95.01391	2.8
99.00883	2.4
101.02444	8.8
109.02948	3.1
111.00900	10.6
113.02452	5.4
123.00903	14.9
123.04533	2.7
124.01646	4.9
125.02459	4.0
127.00365	6.2
134.97577	6.4
136.98799	5.4
137.02452	7.7
137.62428	2.2
137.99542	2.1
138.03241	21.6
139.00380	54.8
139.03978	4.8
149.04539	5.0
151.00383	2.6
151.04012	8.4
153.01889	9.2
153.05568	14.1
154.02711	2.8
161.04593	3.1
165.05553	2.4
165.33571	2.5
177.01921	6.9
179.03340	2.2
184.06064	2.7
192.04295	4.8
193.04984	5.9
243.06741	2.7
289.07150	5.5
317.06625	23.3
317.10486	3.2
331.08176	2.9
332.09015	24.4
347.11353	68.5
348.11569	4.6
359.11655	2.3
377.12381	100.0
378.12671	8.9
479.21362	5.0
518.98450	2.6
539.19763	4.5
539.27472	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03439	0.9
58.00592	1.0
59.01382	18.4
61.98830	59.9
71.01380	16.6
72.99320	1.2
73.02950	6.3
83.01384	3.9
85.02953	8.9
87.00867	1.5
89.02445	8.2
93.03455	3.3
95.01386	1.0
99.00851	1.8
101.02448	13.6
102.02798	0.9
105.92541	0.7
113.02457	6.2
119.03487	2.7
121.02966	6.2
122.03748	13.9
123.04586	0.8
125.76563	0.7
132.02155	1.2
133.02969	6.1
134.03673	1.2
149.02440	31.2
149.06114	1.5
150.03226	97.3
151.03561	3.5
161.04564	2.6
162.03220	1.8
164.04785	6.9
165.05563	100.0
166.06216	6.4
167.06976	1.3
177.05618	1.7
180.04315	6.9
181.08704	5.5
195.06619	46.4
196.06970	2.1
283.09692	1.0
294.95038	1.0
314.11502	4.7
329.13953	9.7
331.17233	0.8
343.13943	18.3
344.14496	0.8
372.14709	0.7
478.23886	2.6
479.23975	6.9
491.19211	92.1
492.19608	9.1
521.19531	1.0
539.21240	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	539.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
59.01387	3.0
61.98523	0.9
61.98832	17.5
69.03454	3.2
70.05207	0.5
70.55270	1.1
70.55641	1.2
71.01363	1.4
79.01891	1.0
81.03452	1.1
83.01373	1.7
85.02919	0.7
89.02459	1.5
95.01380	1.1
95.05004	0.7
95.06540	0.7
97.02947	4.0
97.29983	0.6
98.20472	0.6
101.02444	1.4
107.01383	1.7
108.02175	0.7
109.02949	0.9
113.02429	0.8
123.00906	7.4
123.04542	1.1
124.01668	22.1
125.02452	52.1
126.02797	1.7
137.02409	2.1
139.00299	0.9
149.99593	27.0
151.00279	2.5
163.11194	0.9
167.03452	1.0
168.00642	56.2
169.01419	6.4
181.12305	2.5
225.11250	1.3
249.11461	0.6
256.93887	0.6
295.11972	0.6
313.05563	1.0
407.31458	0.6
422.89560	0.6
495.18414	1.3
521.16486	1.7
539.17633	100.0
540.17963	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	538.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01385	3.3
61.98837	100.0
63.99289	0.3
68.42035	0.2
69.03463	0.4
71.01392	2.2
71.63226	0.3
72.99335	0.2
73.02958	0.6
73.12589	0.2
75.00876	0.7
79.17486	0.3
83.01431	0.6
85.02967	0.8
87.00919	0.3
87.04498	0.4
88.98843	0.5
89.02456	2.6
90.95427	0.2
93.03458	1.5
94.03820	0.5
95.01407	0.4
97.02964	0.8
99.00914	0.3
101.02436	1.7
109.02976	0.5
111.00896	0.3
113.02468	0.7
115.05835	0.2
123.00912	0.9
124.01678	3.3
125.02462	8.6
126.02830	0.7
131.03487	0.3
135.04608	0.2
137.02463	2.1
138.02797	0.5
139.04025	0.2
145.02995	0.2
149.04575	1.3
149.99597	4.4
151.00244	0.5
151.04048	0.3
161.04573	0.4
166.05186	0.3
167.28491	0.2
168.00664	7.4
169.01370	1.4
179.03661	0.3
206.99857	2.0
208.00330	0.8
208.99564	2.2
213.05708	0.3
214.05830	0.2
233.06665	0.3
264.51035	0.2
288.78592	0.2
293.08856	1.6
294.09268	0.3
313.05923	0.3
318.59958	0.2
329.06573	1.5
330.06662	0.5
331.06384	0.6
495.18451	0.3
537.32031	0.5
538.16089	2.7
538.32849	0.9
539.17651	13.4
552.24792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34024	0.7
57.03416	2.4
59.01385	23.5
61.98835	59.6
64.18895	0.8
69.03464	5.2
71.01389	9.2
71.63361	1.1
72.99290	2.1
73.02906	2.3
73.03289	1.0
75.00869	0.8
81.03447	2.1
83.01358	3.6
83.05012	1.0
85.02914	3.4
87.00862	2.0
89.02458	6.1
95.01362	3.2
97.02967	4.3
98.68063	1.0
99.04463	1.1
101.02447	7.4
107.01344	2.3
108.02154	0.9
109.02936	2.0
113.02380	3.4
119.03437	1.4
121.02911	1.1
122.03709	1.1
123.00926	8.1
123.04446	1.4
123.08067	0.9
124.01672	26.9
125.02458	91.3
126.02779	1.8
135.04504	1.5
137.02463	4.9
137.06018	1.0
149.02390	1.1
149.06044	0.8
149.99594	48.1
151.00200	3.3
151.03917	1.3
161.04521	4.0
163.24512	0.9
165.01793	1.1
165.09087	3.4
167.03436	1.1
168.00650	100.0
169.01395	8.8
171.13844	1.7
179.05444	1.6
215.64063	0.9
225.69391	1.0
267.15942	1.8
299.77121	0.9
313.05270	2.9
317.20877	3.5
331.06476	1.1
377.24985	1.0
461.14594	6.3
479.15619	79.9
479.25497	5.1
480.16003	6.5
539.17267	100.0
540.17645	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	538.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21951	0.2
54.57959	0.2
58.83124	0.2
59.01373	0.8
61.98833	100.0
70.01329	0.2
71.01385	1.1
71.63784	0.2
71.64198	0.3
73.02954	0.4
81.58240	0.2
85.02969	0.4
89.02464	0.7
101.02482	0.6
105.13691	0.2
113.02457	0.6
125.02480	0.3
149.04610	0.2
161.04616	0.4
278.46820	0.2
403.50806	0.3
456.26807	0.2
479.21332	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	538.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83130	0.3
57.03445	0.4
59.01381	3.0
59.35371	0.3
61.98832	100.0
69.03461	0.6
69.59829	2.1
71.01385	2.5
73.02959	0.6
73.79819	0.3
75.00880	0.7
75.16316	0.3
75.79699	0.3
75.97649	0.2
83.01396	0.6
85.02973	0.9
88.98809	0.7
89.02449	2.6
93.03478	1.1
93.53489	0.2
94.03788	0.3
95.01398	0.4
97.02965	0.5
99.00879	0.7
101.02420	1.5
109.03020	0.4
113.02485	0.6
123.00913	0.7
123.04514	0.4
124.01668	3.3
125.02463	8.6
126.02782	0.5
137.02490	1.6
147.78961	0.2
149.02373	0.3
149.04556	1.0
149.10376	0.2
149.99593	4.1
151.00284	0.3
161.04567	0.5
166.05196	0.3
168.00647	8.5
169.01334	1.3
176.81670	0.3
181.12344	0.4
204.51198	0.3
206.99783	2.4
208.00166	0.7
208.99550	2.4
222.85677	0.3
229.17657	0.3
233.06772	0.4
285.04147	0.4
293.08807	1.9
294.09296	0.5
302.83521	0.3
329.06235	1.5
330.06851	0.6
331.06549	0.6
360.54016	0.3
479.25449	0.3
520.76868	0.3
537.32507	0.9
538.16302	3.7
538.33136	0.9
539.17572	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	537.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01718	0.7
61.98824	2.9
68.79121	0.5
71.01388	3.7
71.63230	1.1
72.02074	0.5
73.02964	1.5
75.00941	0.5
78.95924	1.6
82.35927	0.5
83.05048	0.6
85.02986	1.9
89.02467	2.0
96.96060	0.7
96.96979	3.0
97.28532	0.6
101.02439	4.1
113.02489	2.1
116.36295	0.5
131.03558	1.3
132.47897	0.5
139.52055	0.6
200.81380	0.5
217.12292	0.7
273.22360	1.0
277.21735	15.3
278.22208	1.6
279.22556	1.1
291.23291	4.5
292.23660	0.6
301.21637	3.1
319.22791	3.7
320.23355	0.9
331.23154	0.6
343.09497	0.6
343.14307	0.7
349.23911	1.3
433.27682	0.7
433.58209	0.5
477.26624	1.7
537.28345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
58.00587	0.9
59.01088	0.6
59.01384	11.6
60.70130	0.3
61.98829	0.4
67.08105	0.3
68.80183	0.3
70.94383	0.8
71.01394	6.6
72.82438	0.3
72.99289	0.7
73.02943	1.2
80.29307	0.3
83.01400	0.9
85.02959	2.6
85.70566	0.3
87.00880	0.7
89.02445	3.5
89.13859	0.3
92.94458	0.3
95.01386	0.4
101.02451	3.5
102.81533	0.4
113.02474	2.0
157.12379	0.9
163.96616	0.3
185.11774	0.8
215.12868	0.7
311.22238	0.4
329.23291	1.2
339.25443	0.5
357.26529	4.5
373.25745	0.6
375.27533	16.9
376.27786	1.1
519.32092	1.6
537.32837	100.0
538.33130	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	537.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17709	0.5
58.66238	0.6
59.01381	100.0
60.01714	0.7
61.98827	7.6
69.42344	4.3
71.01382	2.8
73.02959	0.9
75.00873	0.5
78.95915	1.9
82.23837	0.6
85.02949	0.6
89.02479	1.1
91.46558	0.5
96.96038	1.1
96.96973	3.6
98.19813	0.8
101.02439	6.2
113.02464	1.0
117.69493	0.5
125.02509	0.6
131.03499	0.6
138.07115	0.6
154.34300	0.6
174.70906	0.5
179.04689	0.6
217.12418	0.9
277.21796	3.5
278.22104	0.9
319.22699	1.0
371.65189	0.6
447.46893	0.5
477.26474	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98839	13.6
66.53306	2.4
70.64310	4.2
70.64654	4.3
74.04532	2.3
75.00438	2.9
78.95934	5.4
137.02475	4.2
167.75835	2.4
285.56583	2.9
313.35730	3.0
376.18170	3.3
384.78336	2.8
428.21008	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	537.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	4.1
59.01378	41.7
61.98824	12.1
63.10678	2.8
71.01383	36.3
72.99303	4.0
73.02941	6.8
73.45971	2.3
78.17407	2.6
78.95872	2.9
80.99927	2.5
85.02957	5.2
89.02448	51.0
94.98080	3.7
97.02914	2.6
98.19880	9.7
101.02449	68.3
113.02461	13.1
113.71281	2.5
119.03474	4.4
125.02526	2.6
131.03513	15.7
149.04573	25.4
149.55156	2.9
182.44557	2.5
215.73344	2.6
229.42542	3.7
279.23288	100.0
280.23587	8.2
537.34619	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	537.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
58.00578	2.0
59.01094	1.9
59.01384	35.2
61.98837	9.6
62.69038	1.2
64.07890	1.1
69.37695	6.0
69.38134	5.4
71.01382	43.4
73.02946	12.1
78.95909	3.6
83.01405	9.8
85.02969	2.4
87.00893	1.4
87.50123	1.5
89.02447	30.0
96.96004	2.4
96.96943	2.0
97.02954	3.3
101.02446	100.0
102.02783	2.1
112.97362	1.3
113.02428	4.1
119.03506	17.6
125.02461	1.5
131.03494	6.5
142.61386	1.1
143.03468	2.4
149.04462	1.5
163.65176	1.2
255.23225	2.9
275.23575	2.1
277.21857	1.3
279.23294	47.5
280.23584	4.7
293.24832	16.1
303.23203	2.5
321.24319	11.5
333.24121	1.5
351.25345	3.9
358.89432	1.5
435.28073	1.6
537.26715	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.3
61.98830	4.6
64.99994	0.7
71.01387	9.5
71.63223	0.6
72.99306	0.8
73.02950	8.2
75.00878	2.3
78.95921	1.0
78.96585	0.6
83.01373	1.7
89.02449	4.4
96.95999	1.0
101.02445	100.0
102.02817	0.9
113.02444	2.7
119.03513	3.8
131.03523	0.8
131.85101	0.8
152.99579	0.8
164.38664	0.7
181.48225	0.6
192.92522	0.6
200.53041	0.6
221.06488	0.8
279.23285	41.5
280.23605	3.5
293.24802	3.3
305.24942	0.9
321.24310	10.8
321.27798	1.0
333.24347	4.8
351.25433	4.6
381.26535	1.8
537.28503	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	537.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
57.03445	6.2
58.00584	3.2
59.01382	100.0
61.98829	52.6
62.18773	1.4
68.45580	1.4
69.03445	3.5
69.29929	1.2
69.57274	3.4
69.57703	6.2
71.01386	65.7
71.25714	1.4
72.99300	6.6
73.02953	27.6
75.00892	1.8
76.49851	1.3
81.03440	3.1
83.01389	12.7
85.02958	24.0
86.00075	2.4
87.00868	12.8
87.04496	3.1
88.98808	7.1
89.01909	2.3
89.02450	38.1
93.03489	1.4
95.01395	4.2
97.02959	4.0
98.19905	2.8
99.00878	5.6
99.04500	1.7
101.02448	71.6
103.04025	16.5
105.23566	1.6
108.02138	2.5
109.02944	4.4
110.67464	1.7
111.00896	2.7
113.02459	18.2
115.04005	4.1
117.03498	7.0
119.03514	12.5
121.02982	7.2
123.04526	2.7
125.02450	13.2
131.03499	15.8
137.02422	1.9
143.03514	10.3
145.02957	19.7
145.05049	4.2
149.02362	1.8
149.04550	3.3
150.03156	1.7
151.00377	3.2
151.11258	1.8
152.01125	2.4
153.01950	2.7
153.05565	1.8
159.02986	1.7
161.02538	2.1
161.04555	11.5
163.04008	3.6
163.06123	48.7
165.01860	1.8
169.01436	2.2
175.03955	2.0
177.01953	1.7
179.05554	3.2
179.07060	1.6
188.91106	1.5
189.03915	1.5
191.05615	1.6
197.04561	2.0
205.05180	3.2
205.07169	18.1
221.06554	4.8
247.08232	3.4
265.09222	4.0
293.08835	3.1
295.06256	1.6
300.02682	1.6
307.10440	3.6
310.08307	2.0
312.12363	1.9
325.10764	3.2
331.17593	10.8
345.19147	2.1
357.26553	3.9
367.12595	3.9
375.23557	2.3
375.27499	8.7
405.24631	2.6
477.23483	46.2
477.29840	2.0
478.23529	3.8
537.19128	5.6
537.33569	58.4
538.33032	5.0
552.70282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34089	1.8
54.49753	1.7
55.01879	5.2
57.03431	2.8
59.01379	94.3
61.98830	19.7
63.52234	2.0
67.67636	1.7
69.03462	3.3
69.57569	12.5
71.01382	57.0
72.62157	1.7
72.99299	2.8
73.02947	29.6
77.16589	1.9
83.01377	15.2
85.02953	29.2
87.00874	7.4
87.38622	1.9
89.02444	25.7
95.01408	3.9
97.02982	4.2
97.06731	1.9
98.19913	3.5
99.00886	8.2
101.02444	66.4
101.68694	1.5
103.04018	15.2
107.96265	2.1
111.00929	2.0
113.02435	18.6
115.04030	2.3
119.03525	10.2
125.02431	9.1
131.03476	5.1
143.03462	9.1
145.05034	2.9
159.03061	3.3
161.04558	27.0
163.06117	46.7
169.12334	5.7
186.28445	1.7
205.07144	11.8
221.67169	2.0
247.08250	3.9
265.09299	4.9
307.10272	5.5
331.17590	45.8
332.17905	2.9
342.57544	1.9
477.23392	100.0
478.23889	9.2
491.85544	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
57.03442	2.6
58.00619	1.7
59.01091	2.4
59.01384	44.6
61.98822	3.7
65.51221	1.4
65.67979	1.5
69.03448	2.0
69.42572	2.2
69.42983	10.3
71.01385	38.8
72.99300	1.7
73.02950	14.0
78.31029	1.3
83.01395	10.5
85.02951	18.0
85.08248	1.7
87.00872	2.2
89.02473	8.9
89.98753	1.6
92.24932	1.6
95.01354	2.1
95.30446	1.4
98.20634	3.0
99.00889	4.8
101.02447	43.3
103.04018	2.6
103.58703	1.4
113.02454	16.3
119.03490	5.2
125.25356	1.5
126.23116	1.4
149.81435	1.6
150.31256	1.4
159.02983	5.3
161.04538	16.7
163.06108	5.2
168.14131	1.7
221.75581	1.8
252.84418	1.6
326.71130	1.5
331.17581	34.3
332.17896	4.2
441.50296	1.8
477.23419	100.0
478.23605	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03444	1.6
59.01379	39.5
61.98826	3.9
69.03458	1.0
69.98212	3.6
71.01384	33.9
72.01731	0.9
72.99313	3.1
73.02947	12.6
75.00853	1.3
83.01386	8.5
85.02955	14.7
87.00880	3.1
87.04515	0.8
88.98817	3.9
89.02452	17.7
95.01418	1.5
97.02958	1.7
99.00887	4.6
99.69604	0.7
101.02444	34.1
103.04021	2.9
111.00921	0.9
113.02451	12.6
116.92878	0.9
119.03521	5.1
125.02444	3.6
129.01987	0.9
131.03537	1.7
131.26683	0.7
143.03520	3.1
145.05089	1.5
150.33846	0.8
159.03023	2.0
161.04553	12.5
163.06126	6.9
187.89244	0.7
205.07242	2.9
229.07198	1.4
258.59064	0.7
307.10355	0.8
329.11407	0.8
331.17621	29.0
332.18048	2.3
447.14319	1.7
477.23523	100.0
478.23816	9.5
537.19568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
58.62068	2.7
59.01381	68.0
61.98838	38.5
64.94471	2.6
67.01867	2.9
69.03456	3.4
71.01382	66.7
72.99309	4.2
73.02954	21.4
74.90845	3.1
75.00863	4.8
77.26965	2.8
83.01380	9.3
85.02950	23.2
87.00881	8.4
88.98836	4.9
89.02454	52.9
95.01366	3.5
97.02922	6.2
99.00893	11.9
101.02448	50.5
102.02806	2.9
109.02917	3.2
111.00875	7.3
113.02432	19.2
115.04025	3.1
118.33138	3.1
119.03535	14.1
121.02908	4.5
123.04493	3.7
125.02454	8.7
131.03503	7.0
137.02437	2.9
143.03464	7.1
149.04541	11.4
151.03960	4.1
159.02911	3.3
161.04561	21.5
163.06087	4.4
167.03491	3.0
179.05602	3.0
233.06648	3.4
293.08652	7.4
295.10828	3.8
302.39081	3.3
327.12323	4.5
329.11429	2.9
331.17554	11.9
345.15564	7.9
357.09497	3.7
371.12457	4.6
375.14447	5.5
447.14282	17.0
477.18863	100.0
478.19611	14.6
519.66956	3.0
537.19556	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03456	1.3
58.51780	0.7
59.01386	15.5
60.99312	16.0
61.98833	21.5
70.04936	3.8
71.01384	8.9
72.99317	4.4
73.02954	2.7
75.00883	16.2
78.41963	0.6
83.01392	3.2
85.02950	4.1
87.00885	2.0
87.48055	0.8
88.00414	1.3
88.98814	100.0
89.02452	15.1
89.99137	1.2
91.00348	0.8
93.03460	8.7
95.01392	1.3
99.00896	0.9
101.02449	7.6
104.55363	0.7
109.02964	1.1
113.02467	3.9
117.03502	0.7
119.03487	1.3
121.03015	0.9
123.04574	2.1
124.01669	1.7
125.02457	5.9
125.09663	0.8
137.02473	2.9
145.02951	0.8
149.02483	0.9
151.00362	4.6
151.04060	1.1
152.01158	1.0
161.02446	0.7
161.04596	1.5
166.74268	0.7
167.03532	3.2
168.00662	1.1
169.01382	1.8
169.05133	1.7
169.06595	1.5
178.79298	0.7
179.05635	0.8
195.06584	1.5
213.05577	7.3
217.60912	0.7
243.06647	1.9
331.17798	0.9
355.24768	0.8
357.26526	2.7
374.26550	0.9
375.27484	6.6
376.27454	0.8
398.54953	0.8
405.24893	1.0
477.23618	1.8
519.30988	0.8
536.31793	6.4
537.16113	6.4
537.24054	2.1
537.32648	48.3
538.15009	0.9
538.33234	3.3
541.15698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25478	0.7
57.03463	0.8
59.01383	15.8
61.98837	100.0
70.05543	3.5
71.01388	10.1
72.99316	1.9
73.02949	4.2
77.65231	0.7
80.65815	0.7
83.01416	1.1
83.53479	0.7
83.80996	0.8
85.02972	1.7
87.00881	1.5
88.98809	2.0
89.02455	18.9
93.65447	0.8
97.02969	0.8
98.19849	0.8
99.00879	3.0
101.02457	11.5
103.04000	1.7
113.02460	2.6
114.52240	0.9
119.03519	1.9
125.02473	1.4
131.03549	3.9
143.03484	1.5
149.04573	18.2
161.04556	2.2
163.06099	4.6
191.05595	2.2
203.14668	0.7
205.07150	1.0
221.06668	2.1
251.07758	2.5
252.34218	0.8
293.08862	1.2
311.09943	2.0
331.17569	1.5
345.29620	0.8
417.19672	0.8
477.23407	5.4
537.21082	19.1
537.28870	2.6
538.21521	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	537.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17974	1.6
51.88102	1.5
55.01878	3.4
57.03442	4.9
58.00571	2.2
58.04876	1.8
59.01385	86.0
59.63531	2.2
60.99289	3.3
61.98836	66.1
69.03453	2.8
69.27963	1.6
69.47155	4.9
69.47575	8.7
71.01390	56.3
72.99307	4.8
73.02951	41.5
75.00868	1.8
83.01384	15.0
85.02952	28.4
87.00900	5.8
88.98814	22.9
89.02454	36.2
97.02966	2.9
98.19893	3.3
99.00890	7.4
101.02452	72.8
103.04034	19.1
113.02457	20.8
115.03963	4.3
119.03510	13.1
121.02974	2.5
125.02428	10.5
131.03499	7.1
143.03540	10.4
145.05083	4.7
149.04552	8.0
153.01912	2.1
161.04503	9.7
161.07916	1.7
163.06140	62.2
190.02667	2.3
205.07156	13.5
247.08253	5.2
265.09286	10.5
271.02399	4.6
300.02786	6.6
307.10278	6.3
325.11432	2.6
331.17670	29.1
447.09344	13.1
477.23404	100.0
478.23611	9.9
537.21033	16.1
537.29126	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.01956	0.6
57.03447	10.4
59.01376	10.1
61.98833	10.8
67.47971	0.5
69.03466	1.3
70.18678	3.0
71.01377	8.6
73.02958	4.6
75.00877	1.0
81.03455	1.5
83.01395	2.7
85.02950	5.9
87.00868	1.0
88.98797	1.1
89.02432	5.3
93.03484	0.7
95.01381	2.5
97.02937	0.9
98.20616	0.7
99.00871	1.3
101.02444	6.6
103.03977	0.9
108.02174	56.7
109.02962	31.5
109.06577	1.8
110.03293	1.4
111.04527	0.6
111.85796	0.5
112.92629	0.7
113.02424	3.2
119.03478	1.7
121.02912	1.9
123.00859	1.7
123.04510	1.3
123.08141	2.7
125.02453	3.1
131.03447	1.6
135.08136	1.6
137.02406	1.0
149.04495	1.0
149.99524	0.7
151.04001	2.4
151.11295	2.2
152.01154	56.9
153.01947	25.7
161.04507	2.1
163.03996	1.9
163.06119	2.1
165.01915	1.3
168.00584	0.7
175.02463	0.7
179.03433	0.7
183.08040	0.6
190.02707	0.8
195.03006	0.7
195.13858	6.2
205.07091	0.6
221.11858	1.4
239.12895	4.4
297.06061	2.8
303.16003	0.8
315.07175	9.7
345.19061	1.2
360.24146	0.6
367.10034	0.7
375.27487	4.0
477.23450	9.6
478.23575	0.8
537.19781	100.0
537.31995	10.3
538.20123	12.0
538.32782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68299	0.7
59.01370	4.1
60.99316	0.9
61.98834	16.7
64.34428	0.6
69.03460	3.3
70.09819	0.7
70.29627	2.8
71.01396	4.0
73.02955	1.2
75.00861	4.0
81.03447	1.1
83.01385	2.1
83.74736	0.7
85.02938	1.2
88.98795	3.6
89.02460	4.9
93.03455	8.1
95.01386	1.8
97.02958	4.4
101.02457	2.0
107.01388	2.1
108.02191	1.6
109.02946	2.1
122.52705	0.8
123.00877	9.1
123.04505	0.9
124.01666	21.3
125.02453	66.7
126.02797	1.0
137.02449	17.2
149.04602	1.0
149.99590	30.4
151.00349	1.3
152.01091	0.8
153.01994	0.8
161.04565	0.7
161.06110	0.8
161.09702	1.0
168.00650	61.5
169.01398	7.4
169.05168	1.0
180.99431	0.7
191.03528	0.9
199.07562	1.1
206.99857	2.6
213.05540	3.3
233.06628	1.8
255.02960	1.1
285.03809	1.6
293.08701	1.8
313.05557	2.0
329.06247	1.1
331.06671	3.7
451.49057	0.7
519.15381	1.0
537.16107	100.0
538.16382	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	537.1638
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
57.03447	0.4
57.75370	0.4
59.01384	4.7
61.09481	0.4
61.98829	3.6
62.00877	0.4
69.03459	3.5
69.45104	0.9
69.45507	3.1
71.01385	2.8
73.02964	0.8
79.01861	0.5
81.03462	1.0
83.01385	1.9
85.02966	1.2
88.98801	0.9
89.02470	2.1
95.01381	2.3
97.02949	2.9
101.02446	1.8
105.02778	0.4
107.01398	2.2
108.02170	1.0
109.02966	1.1
113.02456	0.9
121.02953	0.6
123.00893	8.2
123.04520	0.8
124.01669	20.6
125.02451	49.0
126.02757	0.9
135.11774	0.4
136.01662	1.7
137.02434	2.8
149.02461	0.9
149.99586	30.4
151.00406	2.3
161.09772	0.5
163.00304	0.4
164.01135	4.5
166.99870	1.2
167.03459	1.5
168.00641	56.5
169.01416	6.9
179.10728	1.3
204.04257	1.1
215.12921	1.2
216.13197	0.5
223.09688	0.5
241.08629	0.5
287.12747	0.5
313.05753	1.9
344.25797	0.4
356.25345	1.2
357.25748	0.6
373.25784	0.7
374.26309	1.7
375.26749	1.1
412.10004	0.7
475.16953	1.5
511.19302	0.5
519.15039	0.5
536.31573	14.7
537.16125	100.0
537.31915	14.0
538.16382	12.4
538.32288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98829	3.6
69.74590	3.5
69.75007	6.9
71.01379	2.4
73.02937	1.8
85.02948	2.4
89.02468	2.2
90.58002	1.5
101.02461	4.1
108.01443	2.2
108.02177	38.6
109.02976	15.2
113.02452	1.6
116.92854	1.8
117.72183	1.4
121.02971	3.2
123.00835	1.5
135.00842	7.8
137.02470	1.3
144.45520	1.8
149.02429	8.6
149.04506	1.9
151.03970	1.8
152.01155	40.9
153.01929	17.9
165.01967	2.8
166.02702	3.4
167.03493	10.7
195.02968	8.2
255.95920	1.5
315.07208	100.0
316.07559	6.8
357.08203	17.0
387.09280	4.8
406.48318	1.4
417.10379	2.0
537.25818	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	537.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01381	25.4
59.48469	1.7
61.98837	17.3
62.37338	1.4
69.29336	17.3
71.01382	23.9
72.99309	2.7
73.02943	6.1
74.99096	5.0
75.00885	3.3
81.03429	2.2
85.02958	5.6
87.00867	4.8
87.50620	1.5
88.98799	7.1
89.02449	27.7
93.33678	1.7
95.01388	2.7
96.95995	2.9
99.00890	12.0
101.02449	18.9
105.01900	2.8
108.02167	50.9
109.02991	16.8
111.00922	3.5
113.02462	5.6
116.92885	2.3
119.03490	3.8
120.99661	3.8
121.02919	2.5
123.00887	2.2
125.02424	5.4
125.72209	2.0
131.03493	5.3
135.04509	2.0
136.99045	3.5
137.02475	3.5
149.02534	3.4
149.04546	17.2
151.03929	2.5
152.01158	46.7
153.01920	21.3
157.49298	1.7
161.04590	1.8
163.00284	2.0
163.04054	2.0
165.01888	2.5
167.03532	6.5
169.01425	2.1
179.05629	2.9
181.01410	3.8
182.56070	1.7
191.05695	3.7
195.03030	3.2
196.03748	4.0
211.06142	13.5
251.07779	2.5
275.24863	1.7
297.08835	2.1
312.65259	1.9
315.07202	100.0
316.07538	4.5
329.08270	2.0
357.08057	8.2
387.09244	2.6
399.11148	2.1
484.92349	1.9
537.25574	20.1
538.15479	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	537.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50432	0.5
55.01857	0.8
57.03439	0.8
59.01385	9.9
60.99300	0.5
61.98836	9.5
69.03458	3.1
69.37669	5.1
71.01389	5.7
73.02953	2.9
81.03467	1.3
83.01393	1.8
85.02962	2.7
87.00916	0.5
88.98797	4.2
89.02460	4.0
91.01867	1.9
93.03490	0.7
95.01403	3.0
95.65836	0.5
97.02950	2.7
99.00919	0.6
101.02451	7.2
107.01390	2.0
108.02175	1.2
109.02984	2.7
113.02433	2.6
119.03513	0.7
121.02934	2.4
121.66093	0.5
123.00894	9.8
124.01675	25.7
124.02607	1.2
125.02459	45.1
126.02802	0.6
135.00894	5.8
137.02490	2.7
139.04007	0.9
143.03465	1.0
143.43135	0.5
147.03261	0.6
149.02443	5.4
149.04448	0.7
149.99596	39.9
151.00375	2.7
152.01187	1.1
153.01952	6.2
159.02934	0.6
161.02486	0.8
161.04501	1.0
163.04012	0.6
163.06096	3.0
164.04825	4.3
165.01942	1.4
167.03532	1.5
168.00650	66.8
169.01411	5.5
175.00330	2.6
179.06993	0.5
190.02733	8.4
191.03409	0.9
205.05098	8.3
205.07051	0.9
206.33894	0.5
211.04387	0.5
223.06104	2.8
225.78223	0.5
231.06676	0.7
239.79489	0.6
262.87762	0.5
300.02844	0.7
301.03397	0.8
313.05634	4.4
331.06729	16.8
331.17661	0.9
332.06821	0.7
367.10419	1.1
375.27594	1.2
395.25006	0.6
447.09125	1.1
477.23535	3.5
519.11517	1.7
536.27191	0.6
537.12518	100.0
537.32867	7.3
538.12781	11.4
551.67712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60614	1.1
56.45003	1.0
59.01378	5.1
60.99304	15.3
61.98826	2.0
63.12282	0.9
71.01381	3.2
73.02927	1.3
73.34509	1.0
83.01368	1.4
85.02964	1.1
88.98811	100.0
89.02444	2.1
95.89123	1.1
101.02433	5.3
109.49940	1.0
113.02396	1.4
121.02888	1.1
151.00383	6.3
158.02077	1.1
163.00406	2.0
178.99850	4.0
179.07103	2.3
189.37276	1.0
199.50871	0.9
201.91632	1.0
243.02974	2.4
255.02924	8.1
271.02457	20.3
272.02979	1.8
273.03973	1.3
300.02756	42.2
301.03519	28.9
302.03757	2.3
389.25351	1.3
410.97247	1.0
447.09335	70.9
448.09576	5.3
477.23248	4.6
537.28967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46716	0.2
57.03454	0.5
59.01381	7.9
60.01718	0.7
61.02828	0.2
61.98833	100.0
64.73971	0.2
67.21711	0.2
70.55061	0.7
70.55412	0.3
71.01392	4.0
72.01715	0.4
72.99314	0.5
73.02957	0.9
75.00877	0.9
80.64002	0.2
83.01406	0.8
83.05028	0.3
83.53775	0.3
85.02963	1.7
86.03296	0.3
87.00899	0.6
88.98821	0.3
89.02443	2.7
95.01385	0.5
97.02975	0.3
97.06613	0.3
99.00872	0.3
101.02441	3.0
101.03000	0.3
102.02737	0.4
103.02837	0.3
108.02173	0.4
109.62683	0.2
113.02477	1.3
114.20530	0.2
115.11887	0.2
119.03493	0.5
121.02938	0.3
123.04552	0.3
124.01674	0.5
125.02428	2.2
130.08791	0.2
137.02443	0.4
149.04562	0.5
149.99585	0.9
152.01176	0.3
152.04875	0.3
161.04555	0.2
167.03513	0.5
168.00632	1.7
169.01413	0.3
171.10201	0.6
172.10609	0.3
173.10791	0.3
185.11862	0.6
196.62605	0.3
225.28049	0.3
227.03503	2.0
238.30223	0.3
255.02985	4.0
256.03534	0.5
283.02576	0.6
284.03232	6.6
285.04080	2.7
285.20654	0.6
287.66406	0.3
343.24161	0.4
353.23358	0.4
354.23688	0.3
355.24506	1.5
356.25085	0.3
371.24359	0.7
372.24939	0.9
373.25366	3.0
374.25867	0.7
413.08511	0.4
457.83548	0.3
473.10873	8.1
474.11078	0.9
517.30176	0.6
535.30603	35.4
536.30988	13.9
537.15753	3.1
537.32599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26509	0.3
55.01877	0.3
57.03448	1.0
58.00613	0.5
59.01380	7.8
61.98832	100.0
67.23382	0.3
69.41663	0.7
69.42086	1.5
71.01383	4.5
72.99313	0.5
73.02956	1.2
75.00880	0.5
76.58093	0.3
81.03493	0.2
83.01405	1.1
83.05027	0.3
85.02962	2.2
87.00893	0.7
88.00428	0.3
88.98815	0.7
89.02435	3.3
93.03455	0.4
95.01399	0.4
97.02995	0.3
98.19840	0.5
99.00883	0.3
101.02454	4.4
102.02802	0.3
108.02161	0.4
109.02981	0.5
111.00867	0.3
113.02447	1.8
113.13508	0.3
119.03503	0.9
121.02974	0.4
122.03769	0.3
124.01672	0.6
125.02444	2.4
131.03477	0.3
137.02457	0.7
145.02953	0.5
149.02469	0.7
149.06082	0.3
149.99577	0.8
150.03128	0.3
161.04565	0.6
163.03976	0.3
168.00607	1.5
179.10738	0.3
185.11795	1.5
215.12837	0.5
225.15010	0.3
227.03529	2.5
255.02989	3.5
256.03586	0.4
257.88184	0.3
284.03293	4.5
285.03928	2.2
285.20755	0.9
325.23721	0.5
343.25012	0.3
355.24857	1.2
356.25339	0.6
357.12766	0.3
357.26312	0.5
371.24524	0.3
373.21863	0.6
373.25946	3.3
374.26208	1.2
439.47382	0.3
464.72141	0.3
473.04153	0.3
473.10904	6.0
474.11362	0.6
475.29813	0.3
477.23425	0.6
517.29871	0.5
535.31293	25.5
536.31653	13.7
537.14935	2.0
537.23285	0.5
537.32428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03448	1.1
58.00591	0.4
59.01380	11.4
61.98830	3.5
67.67900	0.2
69.03479	0.2
71.01382	7.7
72.99300	0.8
73.02943	1.9
75.00858	0.3
83.01400	1.4
83.86217	0.2
85.02948	2.7
87.00879	0.8
88.98809	0.6
89.02450	4.2
93.00761	0.2
95.01367	0.6
97.06600	0.3
98.20628	0.4
99.00882	0.7
101.02443	5.5
111.00846	0.2
113.02455	2.4
119.03490	0.9
123.04508	0.2
123.08146	0.5
125.02464	0.3
125.09704	1.2
127.11287	0.6
137.09720	0.4
143.10747	0.2
145.02954	0.2
153.09210	0.2
155.10796	0.7
159.02959	0.2
161.04555	0.3
171.10266	3.9
172.02650	0.2
178.02809	0.2
185.11847	0.4
199.13261	0.2
201.15034	0.2
217.14505	0.3
229.14468	0.2
257.17480	0.2
327.21674	0.8
337.23975	0.3
343.24905	0.2
355.24911	3.6
356.25211	0.4
371.24619	0.3
373.25952	12.8
374.26370	1.1
391.19394	0.3
392.20432	0.3
517.30096	1.9
535.31226	100.0
536.31580	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	535.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03446	0.5
58.00591	0.7
59.01385	14.5
61.98840	5.1
64.59898	0.4
66.30630	0.4
69.46820	2.6
71.01392	8.4
72.99317	0.7
73.02954	1.5
75.00874	0.5
79.78784	0.4
83.01405	1.3
85.02958	3.4
87.00903	0.9
89.02466	4.2
93.03457	0.6
95.01400	1.1
99.00887	0.8
101.02462	5.7
113.02464	2.5
119.03506	1.6
123.04546	0.8
125.02444	0.8
139.11340	0.4
143.76295	0.4
157.12367	0.6
161.04565	0.4
185.11833	3.4
214.12189	0.5
215.12901	2.6
220.13510	0.5
227.07191	0.9
271.19147	1.0
275.45999	0.5
285.20779	0.4
325.23709	0.6
337.23651	0.5
343.24960	1.7
355.24881	6.7
356.25229	0.5
372.50629	0.4
373.25955	13.6
374.26205	1.0
502.34009	0.5
517.30109	1.4
535.31281	100.0
536.31628	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	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
57.03455	3.3
58.00586	4.0
59.01381	65.1
59.01812	2.0
60.01697	1.1
61.17687	0.5
61.98830	5.9
69.03415	0.9
69.81529	2.8
71.01384	53.8
71.05014	0.6
72.99303	5.0
73.02950	8.9
74.99075	0.5
75.00832	1.0
78.95882	1.2
83.01387	6.8
85.02951	18.8
87.00883	3.5
88.98773	0.9
89.02447	47.8
89.06050	0.6
93.03430	0.7
95.01376	4.8
97.02953	1.1
99.00885	3.2
101.02444	40.3
103.00385	6.6
103.03993	0.8
103.26933	0.7
108.02179	13.9
109.02978	4.9
111.00817	2.4
113.02448	22.0
119.03508	20.1
120.99622	0.7
121.02920	1.4
122.99125	0.7
123.00865	0.8
123.37550	0.6
125.02431	2.9
129.01854	0.7
131.03418	2.1
134.03690	0.7
137.02405	0.9
143.03477	3.4
149.04446	2.1
149.96136	0.8
150.88385	0.6
152.01161	10.6
153.01953	6.2
159.02870	2.0
160.01570	1.1
161.04570	7.9
163.06049	1.0
175.03923	0.8
179.05618	7.0
190.02559	0.7
205.07013	0.6
211.07831	1.0
211.16859	0.6
225.07506	2.4
227.03273	2.2
255.02751	1.4
284.02975	1.9
285.03864	2.2
308.08865	0.9
315.07269	5.5
336.08414	1.1
337.09256	0.8
351.10931	0.7
352.11465	0.6
355.07770	0.7
355.11792	1.0
355.20773	1.1
355.24734	1.0
373.12582	1.4
373.17917	0.9
373.22125	11.9
373.25891	1.3
385.12976	3.5
412.82361	0.8
431.09903	4.0
475.21494	1.7
475.28461	0.8
506.17493	1.9
517.30664	0.8
535.13861	10.7
535.27142	100.0
536.19019	2.0
536.27283	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	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95236	0.4
55.01885	6.2
57.03450	5.5
58.00604	4.0
59.01384	70.0
60.01728	0.6
61.98840	2.7
68.99809	0.5
69.03461	3.5
69.92656	0.9
69.93060	1.6
71.01387	87.5
71.05022	2.4
72.01725	1.2
72.99313	4.1
73.02953	35.4
74.03292	0.6
75.00893	1.5
81.03469	2.1
83.01395	25.8
83.05040	0.4
85.02957	41.8
86.00140	0.9
86.03299	1.2
87.00876	6.5
87.04538	1.1
87.28922	0.4
89.02452	29.9
95.01385	5.9
96.64699	0.4
97.02966	5.9
99.00890	10.8
99.04510	1.1
101.02451	77.9
102.02808	1.8
103.04021	12.9
109.02968	0.6
111.00906	1.4
113.02455	30.2
114.02780	0.6
115.04019	2.2
119.03509	13.0
120.50026	0.4
123.00932	0.5
123.18615	0.4
125.02457	11.1
127.04027	1.4
129.01949	1.3
131.03500	3.1
137.09688	0.5
139.07661	1.6
141.01974	0.7
143.03503	9.1
145.02950	0.5
145.05081	3.7
149.04572	0.6
151.04080	1.2
153.09227	0.7
155.10789	7.8
159.02985	6.4
159.04227	0.5
161.04570	46.7
162.04959	1.4
163.04057	0.8
163.06137	14.7
164.06400	0.4
179.05614	4.4
203.07149	0.5
205.03560	1.0
205.07173	5.1
221.06609	0.6
227.16537	14.0
228.16832	0.8
229.07159	3.1
247.08217	5.5
263.07819	0.6
265.09305	0.6
307.10281	4.1
325.11115	0.6
355.11841	1.1
365.05920	0.5
372.14847	0.7
373.14862	2.8
373.22433	0.6
389.21823	49.4
390.22293	4.4
433.20975	0.6
475.21796	0.9
535.27588	100.0
536.27875	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	535.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.2
59.01385	100.0
61.98837	20.9
70.20037	3.2
71.80712	1.1
75.00865	0.9
78.31060	1.1
113.22554	1.0
135.08171	1.3
137.09689	1.5
399.95612	1.4
535.33539	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	535.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39738	0.7
55.01879	3.2
57.03426	2.8
58.00585	2.9
59.01384	66.8
61.98837	25.2
63.99251	0.6
68.99789	0.7
69.03443	0.9
69.31390	5.8
71.01387	46.9
72.01715	1.0
72.99325	4.0
73.02602	0.8
73.02953	11.9
75.00845	1.1
81.03461	0.7
83.01395	7.3
85.02966	16.7
85.90969	0.6
86.00099	0.7
87.00869	4.1
87.04504	0.9
89.02450	41.1
95.01395	4.1
97.02931	0.9
99.00869	3.2
101.02448	37.0
103.03970	1.4
105.84381	0.6
108.02116	2.1
109.02952	1.2
111.00890	3.7
113.02456	18.3
119.03505	16.9
121.41801	0.8
125.02391	2.9
129.01917	1.1
131.03455	2.6
134.03700	2.4
137.09749	0.9
140.29234	0.6
143.03429	2.6
145.02916	0.9
147.40887	0.6
149.02458	0.8
149.04527	1.8
152.01065	1.3
152.04730	1.9
153.01883	0.6
159.02954	1.6
160.01640	3.2
161.02415	0.7
161.04581	6.6
162.04832	0.7
163.06110	4.4
165.01891	0.7
167.07065	1.4
175.00243	2.0
175.03986	3.9
179.05641	4.1
184.62912	0.6
190.02721	3.2
193.04956	1.9
205.04970	3.7
205.06905	1.2
223.06244	0.9
235.05971	0.9
293.08688	0.9
315.07211	1.2
367.10040	2.5
373.22229	10.8
373.26379	1.6
389.21466	1.0
390.70337	0.7
475.21436	2.9
506.17865	1.4
535.27283	100.0
536.18872	2.3
536.27679	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	535.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78580	1.1
57.03445	1.8
59.01380	24.5
61.98839	13.6
62.07212	1.0
68.75062	1.2
69.03461	1.4
70.78229	1.7
70.78568	2.4
71.01385	21.3
71.62440	1.1
72.34236	0.9
73.02961	6.5
75.00875	2.5
80.96534	3.2
81.30541	1.2
83.01377	2.7
84.22398	1.2
85.02947	8.5
87.00886	1.7
89.02444	13.8
92.38654	1.2
97.02943	2.8
101.02444	20.6
113.02438	15.8
116.53774	1.2
119.03497	3.7
119.10011	1.3
124.39745	1.2
128.03522	1.6
131.03517	10.5
143.03514	2.9
143.04636	1.5
149.04559	1.4
169.74937	1.2
212.03201	1.2
225.50465	1.1
254.05820	3.4
268.07172	1.3
270.05258	3.4
273.22226	3.2
277.21707	100.0
278.22125	9.3
282.08963	1.6
291.23285	24.5
292.23526	2.2
297.11383	2.6
301.21704	17.7
302.21860	1.7
306.07944	1.2
309.11237	2.5
311.09207	2.8
319.22742	25.6
320.23022	2.6
325.10764	1.4
326.11600	12.4
327.12057	2.1
330.10880	1.3
331.22729	3.3
341.13867	28.3
342.14709	2.4
349.23846	7.3
427.39908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31049	0.6
55.01884	0.7
57.03444	1.0
58.63552	0.7
59.01381	12.1
61.98825	0.6
64.93324	0.6
70.94745	1.4
71.01385	7.8
72.99277	0.9
73.02951	11.8
75.00870	3.0
77.63275	0.6
83.01347	0.8
85.02959	1.3
89.02460	4.5
90.28264	0.6
97.06581	0.7
101.02444	100.0
102.02787	1.2
113.02454	4.1
119.03526	4.2
131.03523	1.8
180.28351	0.7
221.06653	1.5
273.22229	0.9
277.21722	38.8
278.22009	3.1
291.23331	3.2
303.23132	0.8
319.22760	8.9
331.22763	4.4
349.23840	3.9
361.23602	0.8
379.24893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
58.00599	3.0
59.01378	17.4
61.15460	1.1
70.39616	4.5
71.01387	32.6
72.99315	1.0
73.02962	8.9
75.00872	2.8
75.04744	1.1
83.01410	2.7
84.02122	1.3
85.02963	11.0
87.00892	1.3
89.02449	21.7
97.02950	1.8
101.02453	25.8
113.02462	16.2
113.06087	1.0
115.04001	1.7
119.03500	3.0
131.03505	9.7
143.03506	3.1
219.72598	1.2
273.22250	3.8
277.21725	100.0
278.22067	9.4
291.23300	26.6
301.21780	15.9
302.21918	1.9
319.22806	26.6
320.23071	2.1
331.22665	5.6
349.23849	7.9
375.86914	1.5
494.25208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
57.03439	5.3
58.00579	3.6
59.01380	100.0
61.98830	17.6
63.68904	1.5
69.03458	5.7
71.01386	66.3
71.62650	3.0
72.99305	5.5
73.02947	24.8
80.13721	1.5
81.03446	4.0
83.01396	8.1
83.05035	2.1
85.02946	27.4
87.00861	4.4
89.02448	38.4
92.33025	1.4
93.03397	1.6
95.01403	2.7
97.02969	8.5
99.00896	3.7
99.04515	4.1
101.02446	51.4
102.02792	1.7
103.04010	36.0
111.04519	3.1
113.02457	9.5
115.04003	1.8
119.03503	21.0
125.02441	48.3
127.04006	3.8
135.00891	3.0
137.02425	1.7
137.09758	2.1
143.03534	7.8
145.05077	7.5
149.09682	4.9
151.00394	1.9
152.08418	3.7
153.01875	2.3
161.04518	6.0
163.04887	3.0
163.06134	45.8
164.06583	1.6
166.05055	4.9
167.03453	5.2
167.05505	1.9
167.10777	18.2
198.47906	1.6
205.07185	3.4
227.07098	3.5
247.08273	9.9
255.31596	2.1
259.66217	1.8
267.39774	1.4
307.10333	47.3
308.10403	1.7
329.15927	1.7
386.25037	1.6
389.21664	2.5
475.21924	10.3
531.40765	1.7
535.18665	3.0
535.27393	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	535.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82624	3.5
56.34340	3.6
57.03441	4.9
59.01382	38.0
61.98838	40.6
69.35680	14.3
69.36112	16.4
71.01390	13.7
73.02948	14.8
78.29412	3.3
83.01405	6.2
83.05080	3.7
89.02456	5.6
95.42880	3.3
96.95974	3.4
97.02975	7.2
98.73754	3.6
101.02458	68.7
113.02419	5.5
119.03539	7.3
131.03517	30.5
191.05569	6.5
221.06674	6.8
233.72914	3.3
277.21753	100.0
278.22256	7.2
319.22870	7.5
349.23663	3.8
373.44461	3.9
535.33173	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	535.1825
Annotation	Scrophuloside A1
Peak:m/z	Relative Intensity
55.01883	2.1
57.03444	5.0
58.00582	2.8
59.01382	59.5
61.98829	10.1
64.47617	1.0
69.37279	8.3
69.45438	0.9
71.01385	34.7
72.99307	4.7
73.02948	10.8
75.00886	4.8
78.23024	0.9
78.95908	1.7
79.95752	2.0
83.01363	7.1
85.02958	12.3
87.00874	6.5
87.04511	1.8
89.02445	25.2
95.01374	3.1
95.55761	1.0
97.02968	1.9
98.19897	2.1
99.00892	2.7
99.04508	2.4
101.02446	27.9
102.02769	1.2
103.04022	4.1
108.02184	1.9
109.02952	3.7
111.00856	1.5
113.02465	10.4
115.04032	1.3
119.03509	9.2
119.04995	1.9
121.02966	8.2
123.04499	1.7
125.02488	5.6
125.03264	1.1
128.03560	1.7
129.01848	1.6
131.03488	1.6
135.04518	3.9
137.02458	2.1
143.03525	2.8
143.04553	2.3
145.05016	1.6
147.02986	2.6
147.04446	1.2
147.06564	1.1
149.04564	2.9
151.03963	2.0
151.99672	1.1
152.03583	1.1
156.32401	0.9
159.04486	3.4
161.04541	6.2
163.04001	2.3
163.06131	6.5
164.89632	1.3
171.04462	1.0
173.06125	1.7
179.05598	2.9
180.10344	1.2
181.05011	5.1
205.07185	1.9
211.04021	1.0
231.06712	1.3
241.05003	1.2
244.49693	1.0
253.08704	2.0
254.05644	1.0
255.03018	2.2
255.06570	3.3
263.06976	1.3
268.07382	4.3
269.08212	9.7
270.08868	2.5
271.02521	1.9
279.10083	1.0
281.08194	15.1
282.08810	2.1
283.09787	6.6
296.10513	3.2
299.01929	3.2
299.09241	7.3
300.02777	4.0
300.09918	3.2
301.03473	1.5
302.08057	1.5
306.07532	2.4
307.07578	2.1
307.10587	1.7
313.10889	1.3
314.11658	12.6
315.12317	6.9
324.95749	1.0
328.06082	1.4
329.13794	10.8
341.10538	2.1
343.11807	4.2
355.11957	3.4
357.13437	1.6
364.53879	1.1
373.13089	7.7
389.21725	3.7
391.22876	1.3
461.14337	2.0
463.08890	3.8
475.21671	9.5
476.16837	9.8
476.22614	1.7
491.19205	100.0
492.19632	11.9
517.17236	24.7
517.25043	2.3
518.17334	2.4
535.17755	32.6
535.31494	19.3
536.18610	5.6
536.31354	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93795	1.1
54.80268	1.1
55.00739	1.1
59.01380	75.6
60.01715	2.0
61.98833	19.1
66.72378	1.2
69.03450	3.9
70.88572	1.1
70.95792	1.3
70.96125	2.5
71.01383	32.6
72.99307	7.5
73.02947	16.1
73.23405	1.2
81.03462	3.3
83.01387	3.8
85.02956	14.4
87.00884	16.0
88.17773	1.2
89.02439	24.7
97.02958	2.5
101.02450	31.4
102.63094	1.3
103.04012	22.1
104.04387	1.2
106.16747	1.2
113.02452	4.6
115.04002	1.4
119.03510	11.0
123.04353	1.6
123.08112	1.3
125.02444	18.1
127.04047	3.1
131.03502	2.6
137.02434	1.5
143.03494	3.4
145.05092	5.0
149.99562	1.3
152.04805	3.5
163.06123	33.3
167.07085	2.5
167.10773	100.0
168.11125	5.0
171.10220	2.4
172.47249	1.2
185.11867	1.7
205.07140	6.2
247.08253	5.3
307.10370	15.7
313.23892	7.3
350.42245	1.2
355.24930	4.9
373.25919	10.8
436.97076	1.5
475.21964	3.9
475.29025	2.6
517.30231	1.6
534.29694	1.5
535.31195	75.1
536.31525	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	535.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13522	1.3
57.03435	2.2
58.00591	4.5
59.01381	88.9
61.98829	6.6
69.03445	3.5
69.22922	1.4
69.38504	10.7
71.01387	43.8
72.99297	4.6
73.02948	32.4
83.01388	6.4
85.02953	19.1
87.00871	10.2
87.04492	4.0
88.98798	3.7
89.02447	35.7
95.01405	2.5
97.02980	2.2
98.19821	2.8
99.00894	3.1
101.02447	70.6
103.04019	24.2
108.10008	1.8
108.35552	1.3
113.02468	10.9
113.12384	1.2
115.03989	6.5
119.03506	12.8
120.29174	1.5
120.44386	1.3
123.00934	3.8
125.02438	6.6
127.03970	1.7
131.03490	13.7
131.40495	1.2
139.31314	1.7
143.03528	15.2
145.05061	7.3
149.04454	1.4
153.00697	25.6
155.10780	2.8
161.04535	4.6
161.37869	1.5
163.06126	100.0
164.06473	2.0
168.03004	32.6
187.76868	1.2
205.07172	26.2
227.16533	2.9
235.08195	2.6
265.09344	16.8
307.10324	2.4
325.11603	3.8
329.16113	7.5
455.23300	1.4
475.21832	82.7
476.22110	8.2
535.19971	4.2
535.27612	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	535.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03456	14.8
59.01381	27.8
60.99276	2.0
61.98835	36.8
65.00319	2.0
65.32693	1.8
69.03451	4.4
71.00690	4.2
71.01384	27.4
72.99307	6.0
73.02940	7.9
74.99106	3.9
75.00853	3.0
79.95781	1.7
81.03455	13.7
83.01401	14.6
84.39288	1.6
85.02946	8.3
87.00877	7.9
88.98822	19.0
89.02440	24.5
89.03963	2.2
93.03491	2.2
95.01385	2.5
95.05026	5.7
96.96041	2.1
97.02956	6.5
99.00898	5.0
99.04526	12.8
101.02444	19.2
105.03472	3.3
107.04992	2.1
109.02962	7.8
111.00887	15.0
113.02502	10.4
114.93465	2.3
115.00409	3.5
115.04018	2.4
116.03514	2.3
116.92842	9.1
117.03461	2.2
119.03498	8.2
120.99596	2.4
121.02966	5.8
123.00887	3.8
123.04540	5.9
125.02455	61.3
126.02764	2.7
130.99931	2.0
131.03506	5.4
131.05028	2.5
133.03029	3.2
135.04491	1.8
136.99103	3.6
137.02452	35.7
139.03989	3.2
143.03465	2.6
145.02928	6.0
147.04492	4.3
149.02406	14.1
149.04546	10.5
151.04031	10.0
157.02895	4.7
159.04482	2.4
160.01672	2.2
160.04016	2.4
161.02461	11.0
161.04526	4.8
163.04030	4.3
163.06094	2.2
164.01108	5.6
165.01942	22.4
167.03511	100.0
168.03827	2.1
168.68109	1.8
171.04507	2.7
173.02443	7.4
174.03136	4.0
175.03963	13.7
176.01097	2.8
177.01903	6.0
179.03513	6.1
181.05138	1.9
185.02478	9.2
187.04036	5.1
189.01973	8.9
191.03471	8.7
191.05341	2.4
193.01411	8.2
198.03134	2.0
199.03992	3.3
201.01941	24.3
201.05508	2.1
202.02602	3.1
203.03474	19.5
205.01396	7.8
208.03787	7.3
209.06129	2.3
211.03960	2.3
212.04890	3.6
213.01932	4.7
213.05577	6.7
217.01482	5.0
223.04187	3.0
223.06082	16.2
223.13342	2.5
224.04761	2.6
225.05539	5.0
227.03542	5.2
227.09372	2.1
229.01419	63.3
230.02139	21.8
231.02972	31.2
236.04639	2.0
237.05560	5.7
239.03584	3.6
239.07021	3.8
241.05016	5.6
241.14421	3.1
249.05624	3.5
251.03471	6.5
251.07173	3.8
252.04239	2.7
253.05066	3.1
255.06644	3.7
258.01657	2.5
259.02576	19.1
265.04977	6.9
267.03006	2.9
267.06699	3.8
269.04410	3.1
279.06570	4.6
280.07108	1.8
281.04404	2.8
283.06107	3.1
291.06540	2.2
293.04584	5.6
293.08295	1.9
305.04477	2.2
307.06189	4.8
309.04025	3.2
311.05511	6.4
321.07571	2.7
323.05606	36.2
325.07086	5.3
329.06641	2.5
335.05566	16.6
347.05524	2.6
349.03403	2.6
351.05225	6.0
353.06549	9.4
361.03513	3.3
365.06644	7.2
367.04749	2.1
379.04611	82.6
380.04965	5.8
387.08841	2.8
397.00684	4.1
397.05640	61.3
398.05664	4.3
405.09808	2.4
407.07791	2.4
419.15643	2.9
447.10727	3.0
473.08731	10.3
475.21976	8.5
491.09973	17.5
535.08777	6.7
535.16565	5.5
535.23865	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	534.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01921	0.4
55.02196	0.5
57.03450	1.1
59.01386	7.1
59.91759	0.4
61.98830	8.8
67.48968	0.4
69.72498	2.2
69.72915	0.7
71.01385	5.3
72.01699	0.5
73.02955	2.0
76.64279	0.4
79.17898	0.4
81.32435	0.4
83.01397	0.9
85.02938	2.3
87.00888	0.9
89.02438	3.1
98.19830	0.4
99.00878	0.7
99.04555	0.7
101.02452	4.7
102.02838	0.7
109.02953	0.6
113.02456	1.8
119.03514	1.2
121.02951	1.7
122.03699	0.7
123.04584	1.0
125.02440	1.2
135.04497	0.8
136.04169	0.9
136.05299	6.7
143.03499	0.8
145.02995	0.7
148.04045	1.1
149.02473	0.9
150.03210	1.5
151.04115	0.7
161.04567	1.2
163.04007	8.0
163.06076	2.1
164.03580	1.3
164.04836	0.8
165.05618	2.8
166.05099	100.0
167.05443	3.6
177.05714	0.5
178.06369	10.0
179.07082	1.0
190.02731	1.1
192.03046	1.5
193.03764	3.3
205.03537	0.6
205.05167	1.1
205.06975	0.6
206.04536	2.4
207.05225	1.0
208.06154	10.0
215.07127	0.4
220.06142	2.5
222.07571	0.4
225.07664	0.8
342.09827	5.9
356.11267	1.0
357.12186	10.4
358.12585	1.1
372.14520	50.9
373.14951	5.1
387.20703	0.6
388.20609	1.7
491.15601	0.8
534.18884	0.6
534.26617	1.6
535.27966	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
57.03445	1.2
59.01382	8.1
61.98837	9.6
69.41806	4.6
69.78423	0.5
71.01379	4.4
73.02958	1.5
83.01411	1.2
85.02965	2.2
87.00872	1.4
89.02457	3.1
97.02943	0.5
98.20586	0.8
99.00899	0.7
99.04524	0.7
101.02453	4.2
103.04020	1.0
108.61948	0.5
113.02460	1.9
119.03574	1.1
119.05073	0.6
121.02953	1.6
122.03749	0.9
123.04510	0.7
125.02436	1.9
131.03439	0.5
135.04517	1.0
136.04234	0.9
136.05312	8.0
143.03523	0.5
148.04027	1.3
149.02475	1.0
150.03232	2.8
151.03972	0.6
158.17259	0.6
161.04527	1.4
163.04019	8.9
163.06219	2.2
164.03535	1.4
164.04758	0.6
165.05583	2.2
166.05104	100.0
167.05464	4.0
178.06367	12.6
179.07027	1.0
190.02745	1.9
191.03618	0.5
192.03058	1.8
192.07841	0.6
193.03813	3.7
205.05313	0.8
206.04565	3.1
207.05383	1.0
208.06181	10.4
208.08040	1.0
220.06267	2.8
225.07777	0.6
244.49434	0.5
337.42624	0.5
342.09766	5.9
356.11536	0.9
357.12210	11.9
358.12665	1.1
372.14529	54.0
373.14944	5.0
388.20969	0.7
475.21793	0.9
491.15631	1.2
534.18994	0.7
534.26208	0.7
535.27643	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	534.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72556	0.2
57.03469	0.2
59.01380	3.6
61.29368	0.2
61.98830	100.0
65.20139	0.2
69.30115	2.0
71.01392	2.0
72.01731	0.3
73.02957	0.4
83.01411	0.4
85.02969	0.5
88.98794	0.2
89.02436	1.8
89.40012	0.2
91.79823	0.2
93.03459	0.3
95.01412	0.3
97.31851	0.2
101.02421	1.8
102.02752	0.2
103.04001	0.3
113.02477	0.6
119.03512	0.7
125.02452	0.5
137.02469	0.7
151.04024	0.2
159.03111	0.2
161.04517	0.5
179.05630	0.3
201.13474	0.2
275.74130	0.2
355.12085	0.3
533.30255	0.3
534.30450	0.3
535.18579	0.4
535.28265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
61.98835	3.3
69.31850	2.4
71.01363	1.2
73.02946	0.7
85.02959	0.5
89.02469	1.2
99.00938	0.3
101.02445	1.2
113.02430	0.4
119.03543	0.3
121.02965	1.9
125.02428	0.4
136.05286	2.6
151.02765	5.5
151.03946	0.3
166.05098	100.0
167.05460	3.1
174.34775	0.2
183.01747	2.3
194.05896	0.2
277.47250	0.2
322.63968	0.3
372.14447	0.4
490.10489	0.3
535.31744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03222	1.1
57.03454	15.1
59.01090	1.7
59.01382	29.0
61.98837	12.3
64.39143	0.9
66.31505	1.0
70.12833	3.7
71.01389	13.1
73.02942	4.1
74.52569	0.9
78.95959	1.1
80.78252	0.8
80.91682	1.5
83.01402	1.7
84.38228	1.1
85.02965	6.1
89.02443	7.7
92.55506	1.0
99.04528	15.9
101.02453	11.2
103.03967	1.3
109.02959	1.8
113.02445	4.5
117.03487	1.3
119.03485	1.8
119.05018	1.3
121.02956	2.0
125.02470	4.9
135.04506	1.5
136.04013	1.6
143.03476	2.5
145.02939	1.4
148.04019	3.3
149.02446	2.0
149.05998	1.0
150.03201	3.2
150.05560	1.1
150.52046	1.0
151.04015	2.0
161.04533	3.2
163.04018	16.3
163.06055	2.2
164.03462	2.4
164.04709	2.9
165.05583	4.9
177.05568	1.3
178.06355	23.3
179.06987	3.3
191.02090	1.3
192.03017	3.7
192.07942	1.1
193.03766	8.0
205.03777	2.8
206.04550	5.0
208.06151	19.5
220.06107	5.1
261.18942	1.1
313.10809	1.2
319.07816	1.0
342.09842	12.0
343.11734	3.1
355.11810	2.5
356.11407	2.2
357.12180	20.1
358.12317	2.0
372.14520	100.0
373.15002	9.1
373.25983	1.4
385.12970	3.5
391.23239	3.1
475.21808	3.2
487.02634	1.2
534.19598	1.3
535.18488	1.7
535.30743	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	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01378	4.7
61.98838	6.0
71.01387	3.0
73.02954	1.2
83.01373	0.9
85.02944	1.4
87.00887	0.6
89.02431	1.5
99.04510	0.6
101.02453	2.4
103.04004	0.5
113.02438	1.0
119.03499	0.8
121.02953	1.1
121.05303	0.5
122.03734	0.6
122.99269	0.4
123.04502	0.5
124.01671	0.4
125.02456	1.5
134.03735	0.4
136.04225	0.4
136.05292	7.0
148.04050	0.6
150.03220	0.7
151.03987	0.7
153.01846	0.5
161.04588	1.0
163.04016	4.5
163.06168	1.0
164.03459	0.6
164.04701	0.6
165.05557	1.6
166.05095	100.0
167.05414	3.7
177.01926	0.5
177.05507	0.5
178.06374	7.6
179.06950	0.4
190.02672	0.8
192.03078	1.2
193.03781	2.8
205.05209	0.5
206.04567	1.3
208.06140	5.3
220.06113	1.8
291.45654	0.4
342.09866	2.8
356.11322	0.8
357.12131	6.6
358.12720	0.5
372.14517	31.2
373.14969	2.9
475.21759	0.8
491.15656	0.6
535.27917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.297
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
51.56671	0.2
53.08467	0.2
54.12754	0.2
55.01866	0.7
57.03444	1.0
57.43052	0.2
58.00601	0.6
58.14598	0.3
59.01383	12.8
61.98823	1.0
69.40110	0.3
69.40514	1.7
71.01383	8.3
71.05000	0.3
72.99304	0.8
73.02948	2.0
75.49446	0.2
79.49817	0.2
83.01385	1.1
85.02960	3.4
87.00882	0.6
87.04520	0.4
87.09401	0.2
89.02453	4.8
95.01400	0.8
95.36279	0.2
97.06580	0.7
99.00886	0.5
101.02446	5.0
110.52153	0.2
113.02441	2.3
113.06076	0.2
118.95320	0.2
119.03508	0.9
123.08163	0.5
125.09739	1.8
137.09711	0.3
139.11296	0.6
141.09146	0.2
152.89526	0.2
155.10757	0.3
157.12384	0.3
163.09286	0.2
165.48766	0.2
171.10263	4.3
185.11829	2.1
189.66449	0.2
200.10500	0.4
213.11389	0.3
214.12079	0.2
214.65117	0.2
215.12866	0.4
227.12915	0.3
241.14503	0.2
243.16014	0.4
265.73434	0.2
267.51315	0.2
281.17612	0.3
311.22586	0.3
315.49835	0.2
323.22134	0.4
332.03006	0.2
335.22101	0.2
341.23297	2.7
342.23453	0.3
353.23361	4.7
354.23376	0.2
371.24374	14.0
372.24698	1.0
388.23859	0.3
515.28510	1.0
533.29675	100.0
534.29999	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	534.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51189	2.5
55.66958	2.2
57.03446	12.3
59.01380	18.8
61.98833	14.6
63.05724	2.1
68.99802	3.8
69.03458	2.5
71.01384	32.2
72.99307	6.0
73.02936	9.9
74.99103	3.0
75.00867	4.7
81.32362	2.1
83.01390	10.7
85.02952	9.7
87.00386	2.9
87.00883	44.8
89.02431	6.9
93.03478	3.2
95.01362	2.9
99.00887	33.9
101.02435	13.6
111.00895	15.9
112.98046	3.3
112.98817	67.2
113.02426	5.1
115.00407	3.2
121.02900	2.7
123.00858	7.7
123.04548	3.0
124.00408	13.7
124.98794	4.4
125.02423	7.1
129.01933	12.1
135.03012	3.9
135.04456	2.1
136.04012	3.2
136.99138	3.6
137.02441	3.0
138.01987	5.0
138.03221	16.6
142.99863	83.1
144.06654	6.4
145.01404	6.4
147.03009	13.8
149.02443	7.7
150.03220	3.7
151.04019	3.8
153.05557	14.9
160.03975	2.5
161.04497	4.7
162.05569	2.6
163.04018	19.0
164.03488	4.6
164.04755	7.8
165.01892	2.3
165.05554	6.6
166.02658	2.9
173.00929	68.6
173.72115	2.4
174.01680	31.0
175.04060	3.0
176.03416	3.3
177.01918	10.2
178.04994	4.1
178.06372	37.2
179.03389	3.0
179.07077	9.8
181.05089	4.1
191.02029	4.0
191.03497	6.4
193.03712	7.0
205.05205	2.7
206.04497	6.7
207.06668	3.6
208.06174	18.5
219.02898	6.2
220.03847	2.7
220.06058	5.1
232.06076	2.6
234.05348	6.2
236.09456	2.7
237.07655	7.1
249.07622	9.8
250.07126	3.0
258.07733	3.2
264.08743	2.9
279.08661	2.2
291.08795	2.7
291.19424	2.5
309.09702	9.7
312.08823	13.7
326.10229	3.8
327.11111	40.6
328.11349	3.4
342.13446	100.0
343.13806	9.5
347.30313	2.3
352.08304	4.6
355.10309	2.8
366.80597	2.3
367.10504	2.7
368.07605	5.4
370.12943	18.7
394.12927	7.2
398.12549	3.8
400.14035	5.6
412.13867	6.3
454.15250	2.8
534.16180	52.3
535.16486	4.1
535.27850	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2607
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01883	8.4
57.03444	9.1
58.00570	3.6
59.01385	83.1
61.98531	2.5
61.98834	46.9
69.03444	1.6
71.01388	100.0
72.99315	5.9
73.02949	29.9
75.00871	2.0
81.03461	2.8
83.01385	13.8
83.69434	1.3
85.02443	1.9
85.02959	42.7
87.00884	9.3
89.02449	68.3
95.01417	9.5
97.02932	4.1
99.00890	14.1
99.04512	2.9
100.39088	1.1
101.02451	85.6
103.03981	1.8
109.02911	3.2
111.00867	2.1
113.02460	54.1
115.03989	2.8
119.03508	21.1
125.02457	10.1
131.03535	6.8
137.02399	1.8
141.09203	1.9
143.03497	8.8
149.04585	8.3
159.03026	5.5
160.90363	1.2
161.04573	36.6
161.09738	1.4
163.06107	1.5
164.95018	2.1
165.01837	1.2
179.05617	10.9
179.10744	2.3
185.48685	1.2
189.76106	1.2
191.14398	3.3
209.15404	3.8
223.09566	1.3
231.02933	1.4
233.06685	2.5
250.06865	1.1
309.11893	1.4
327.12985	1.3
346.78088	1.2
353.20026	1.4
365.19635	8.0
371.11209	5.0
371.20724	42.5
372.20871	2.9
383.20810	14.1
385.12555	1.3
387.10489	1.4
387.20276	1.8
401.22031	1.8
485.23560	2.9
497.23865	9.5
515.25000	42.0
516.25305	6.7
533.17664	5.8
533.25854	63.5
534.26312	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	533.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54812	0.4
51.73381	0.4
54.24903	0.3
55.01896	0.5
55.79777	0.3
57.03440	1.0
58.00594	0.7
59.01089	0.6
59.01381	11.2
61.98836	2.8
69.03445	0.7
69.33783	3.8
71.01384	6.9
71.05018	0.5
72.99307	0.4
73.02945	2.4
75.00912	0.4
78.11288	0.4
81.35504	0.3
83.01391	1.2
83.05054	0.3
85.02958	3.4
87.00863	0.7
87.04549	0.5
89.02453	3.0
90.61697	0.4
95.01385	0.7
98.20606	0.8
99.00870	0.8
99.26586	0.4
101.02461	4.0
103.36852	0.3
110.42796	0.3
113.02453	2.0
119.03495	0.8
119.36086	0.4
123.08187	0.8
125.02432	0.4
125.09710	2.3
139.11322	0.9
147.04010	0.4
153.09209	0.4
155.10840	0.8
171.10265	5.9
185.11836	2.3
200.10510	0.4
208.02414	0.4
215.12996	0.5
281.17599	0.4
311.22516	0.5
323.22147	0.5
335.22086	0.5
337.23810	0.4
341.23282	5.6
341.27173	0.5
342.23639	0.5
353.23340	3.9
355.24881	4.2
369.22852	0.4
371.24356	12.3
372.24820	1.1
503.28641	1.1
509.25757	0.4
515.28925	0.7
533.29688	100.0
534.21844	0.6
534.30060	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	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52786	1.2
54.97274	1.3
55.01862	2.0
57.03448	84.6
59.01381	100.0
61.98828	5.3
69.48867	5.8
69.49281	3.7
71.01385	28.7
71.05038	2.9
72.99341	1.5
73.02954	8.8
78.95928	1.2
83.01374	3.8
85.02955	9.7
87.00858	1.9
89.02438	12.6
95.01402	2.3
97.02931	1.7
99.00866	3.2
99.04519	89.8
100.04874	2.8
101.02444	32.9
107.99538	1.4
112.06898	1.3
113.02440	11.4
119.03496	4.7
125.02446	36.4
132.70045	1.3
137.02487	1.4
139.07629	3.5
143.03484	5.6
153.09296	1.3
155.10776	10.5
161.04578	11.7
178.04466	1.2
179.05597	1.7
191.07190	1.5
227.16513	20.7
228.16924	1.5
229.60254	1.3
241.16029	1.3
251.07080	1.9
257.53439	1.5
267.06589	2.8
279.06699	2.7
281.08572	1.5
282.09012	2.5
294.05444	3.1
309.07800	2.5
318.31729	1.4
323.05917	2.4
323.09225	1.6
338.07974	4.3
341.10266	11.3
342.10294	2.0
343.11530	1.5
353.10223	12.5
371.11224	8.0
371.20706	3.4
372.14664	6.7
382.94977	1.6
389.21790	16.5
431.22845	9.7
443.60703	1.3
471.25577	1.5
503.15396	4.4
518.17938	2.1
533.19641	8.4
533.26923	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	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03436	3.2
58.00582	3.0
59.01388	53.8
61.98839	15.9
62.14503	1.0
69.03485	1.4
70.04735	4.1
71.01392	33.8
72.99306	3.2
73.02952	12.3
74.99133	1.2
75.00882	1.3
75.62834	1.0
79.96972	1.1
81.03460	1.0
83.01399	4.0
85.02967	14.2
87.00874	3.3
87.85654	1.0
89.02448	18.7
95.01427	1.7
97.02968	2.3
97.06594	3.1
98.18950	1.2
99.00882	3.0
101.01791	1.8
101.02454	28.5
101.86613	1.0
103.04017	11.0
109.06595	1.9
112.70502	1.1
113.02462	10.3
117.03465	12.9
119.03526	7.4
119.05017	4.8
123.08177	1.4
125.02456	11.6
127.04011	1.3
131.03535	2.2
136.99152	1.7
137.02440	1.6
143.03494	1.9
145.02972	39.7
145.05042	2.2
146.03317	1.7
149.04633	1.3
153.09174	1.5
159.03030	1.5
161.04587	8.3
163.04099	7.3
163.06123	18.9
164.06442	1.5
165.01874	1.1
165.12837	8.3
171.10245	2.1
185.11781	4.0
205.07147	4.4
206.70482	1.0
214.11885	1.2
225.14838	1.2
243.15942	1.6
247.08382	2.1
265.09271	1.9
307.10483	8.0
327.18024	2.4
341.23334	2.5
353.23300	4.8
355.25052	1.5
371.20435	1.4
371.24490	12.3
401.25385	3.3
469.24240	1.8
473.23801	12.8
474.23975	1.6
533.23627	16.6
533.29700	100.0
534.23749	2.7
534.30664	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	533.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08419	0.6
54.19942	0.7
58.19946	0.7
59.01381	100.0
60.19867	0.8
61.98820	3.7
64.04193	0.7
64.74427	0.7
70.11685	0.7
70.82421	1.9
77.55540	0.7
85.60624	0.6
105.11346	0.6
115.88674	0.6
123.57433	0.7
145.03009	1.4
179.07172	0.8
237.46588	0.7
254.73781	0.9
258.31506	0.7
263.13065	0.8
274.19556	0.7
365.27045	4.1
474.81613	0.8
533.31549	2.1
549.44946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	98.0
58.03782	1.3
59.01382	96.0
60.16316	0.8
61.36401	0.8
61.98827	7.3
69.41331	3.2
69.41742	3.9
71.01383	22.8
72.99285	1.5
73.02945	8.6
75.00865	0.8
81.03453	2.6
83.00597	0.8
83.01392	5.6
85.02949	10.2
89.02444	6.5
91.30697	0.9
93.03461	1.2
95.01380	1.5
97.02950	1.4
99.00859	2.5
99.04520	100.0
100.04866	1.5
100.50819	0.7
101.01766	1.9
101.02445	36.9
103.03998	1.1
103.91087	0.7
109.02965	1.0
113.02451	10.6
119.03475	1.6
121.02984	0.8
125.02451	31.1
137.02419	1.6
143.03528	5.0
157.63631	0.9
159.03014	1.8
161.04573	10.3
163.06065	1.3
227.16483	2.6
236.83707	1.0
371.24500	1.2
372.14453	1.9
389.16684	1.1
389.21774	21.2
390.22406	1.8
431.22864	4.6
459.41437	1.0
471.25775	1.3
533.20172	0.9
533.25964	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	533.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
59.01380	100.0
60.01710	0.6
61.98835	4.6
70.50810	0.6
70.64925	1.3
71.01325	0.4
76.97403	0.4
78.95908	0.5
82.90066	0.4
113.41850	0.4
117.29512	0.5
145.02979	0.4
161.06107	0.6
163.04071	0.5
191.45741	0.5
199.13344	0.6
217.12360	0.5
227.07144	0.5
279.23392	1.5
365.27014	2.7
429.12036	0.5
471.18399	0.8
473.23578	1.4
497.29391	1.0
515.29840	0.7
533.31610	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	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
57.03444	6.0
57.80897	1.5
58.00591	1.7
59.01383	60.2
61.98836	100.0
69.03452	2.4
70.19553	4.7
71.01385	40.2
72.99313	3.3
73.02953	51.6
83.01382	6.6
85.02956	31.6
87.00887	2.5
87.04556	2.0
89.02449	29.3
93.03456	1.7
95.01400	2.3
95.05020	2.0
97.02960	3.2
97.06584	4.7
99.00909	3.0
99.04507	3.4
101.02447	30.8
103.04029	8.9
109.02936	2.4
111.00885	2.1
113.02461	19.3
119.03500	11.7
121.02948	1.5
125.02438	9.2
131.03415	2.1
137.02446	4.9
143.03496	5.7
149.04559	2.3
151.03990	1.9
153.09203	3.2
159.02994	1.4
159.06529	1.5
160.04013	1.3
161.04561	12.4
165.01959	1.7
165.07753	1.6
165.09169	3.0
179.05611	6.3
179.10791	1.5
209.08386	1.3
225.14937	5.9
229.05067	2.2
284.03293	2.6
285.04022	8.0
311.14932	8.5
327.13181	2.2
349.07208	2.0
356.98248	1.5
369.19025	2.0
371.24503	2.7
443.22906	8.5
455.23044	1.7
461.25165	1.4
473.20340	28.0
473.26956	3.3
474.20355	2.5
533.30377	29.2
534.30334	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26892	1.8
52.14143	1.8
55.01864	4.2
57.03455	12.1
57.17120	1.8
58.00590	1.9
59.01377	70.3
61.98834	36.9
69.03484	2.5
69.42385	15.5
71.00986	3.9
71.01382	62.6
72.99298	3.7
73.02954	23.3
74.99119	2.9
75.00885	3.1
78.95905	2.1
83.01382	11.6
83.05006	2.5
85.02945	21.1
87.00901	6.6
89.02445	39.0
93.03491	2.7
95.01393	5.4
96.96021	5.2
97.02967	5.3
98.95620	3.4
99.00870	11.5
99.04533	8.9
101.02448	50.2
103.04025	4.0
109.02935	4.0
111.00887	3.2
113.02448	18.1
117.05574	5.8
119.03500	12.5
120.99669	8.1
121.02972	5.6
125.02446	10.7
131.03540	6.0
135.98270	2.1
136.99088	2.7
137.02473	5.8
141.09193	2.8
143.03510	10.2
145.05051	3.6
149.04565	5.2
151.00304	2.0
151.03976	2.1
152.04771	3.5
159.02975	2.6
161.04575	20.8
163.06117	12.0
165.05534	2.8
165.09235	2.2
166.05005	3.0
167.07181	4.5
177.02036	1.8
179.05560	4.2
191.05609	2.5
202.02850	1.9
205.07140	5.0
213.01350	2.0
218.52475	2.0
223.07571	3.0
225.14958	2.6
235.07784	2.6
239.07164	6.3
249.05496	3.2
251.07162	13.4
263.07117	8.6
264.07922	4.7
265.08948	2.7
266.05658	3.8
267.06583	26.7
267.15881	2.5
271.02487	3.3
279.06641	23.2
281.08209	2.6
282.08951	14.5
294.05350	8.9
294.09015	7.5
295.06030	6.8
297.11267	6.3
307.06067	2.2
309.07739	11.4
310.08356	3.9
311.05637	3.1
322.08411	9.3
323.05615	22.9
323.09155	3.4
324.06091	3.0
326.07941	11.4
337.07111	4.8
338.07953	25.6
339.07962	2.9
341.06104	3.4
341.10287	66.6
342.10529	9.6
353.10297	100.0
354.10565	9.4
371.11316	10.8
371.20517	5.1
382.94751	2.3
387.20142	10.8
401.18176	7.3
503.15683	2.5
533.00079	5.4
533.20685	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	533.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16283	1.0
57.03447	4.8
58.00598	2.1
59.01385	33.9
60.99310	6.2
61.98837	69.2
67.15493	1.0
67.51950	1.1
69.03460	1.2
71.01388	28.3
71.63237	2.0
72.99319	2.2
73.02948	8.7
75.00885	1.7
83.01409	5.9
85.02963	9.3
85.06607	1.1
87.00877	5.8
87.04546	1.5
88.00415	2.9
88.98816	41.8
89.02454	30.0
93.03503	1.1
95.01408	3.0
95.05058	1.5
97.02992	2.0
97.06613	2.7
99.00876	2.2
101.02453	18.5
106.41801	1.0
109.03000	3.0
113.02473	9.0
119.03541	4.4
121.03014	1.2
123.04515	1.8
125.02464	22.2
125.03297	2.0
125.09714	1.5
137.02457	11.6
142.23082	1.2
143.03510	1.1
145.02969	1.5
145.58757	1.0
149.02397	1.2
151.04022	1.5
159.02994	1.3
161.02477	1.5
161.04594	4.1
163.00458	1.7
163.07779	2.7
165.01956	4.2
167.03488	6.9
173.06084	1.5
175.03995	2.5
177.02023	1.6
179.05637	1.1
189.05655	2.6
197.02286	1.5
201.05585	2.1
213.05647	1.6
217.05055	2.1
229.05058	1.6
241.05182	1.9
241.14551	1.6
245.08311	1.4
263.07095	1.6
265.05203	3.9
285.04068	1.4
289.07321	3.9
303.16095	2.1
305.08548	1.5
335.22250	11.4
337.07260	2.1
345.17230	1.7
349.07147	5.9
353.23578	5.6
355.08435	1.3
367.08240	2.0
371.24423	13.8
377.06848	3.1
395.07941	2.9
471.20612	3.1
505.11868	2.1
515.10107	2.1
532.28833	3.7
533.29956	100.0
534.30334	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	533.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.8
61.98835	3.6
71.64530	1.1
72.99288	1.2
74.16130	0.5
78.95901	23.8
99.92625	0.6
115.92119	0.7
116.92880	1.4
123.02028	0.4
148.15790	0.5
150.16510	0.5
152.99606	1.4
178.88385	4.5
179.89207	3.7
180.90018	6.9
194.87910	0.7
196.89476	100.0
197.89490	4.2
212.43156	0.5
234.91057	1.0
278.32367	0.6
297.49573	0.5
305.24649	0.7
457.10806	0.7
515.14722	0.6
526.58997	0.5
526.84204	0.6
533.15979	5.8
533.29071	0.8
534.16376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83148	0.6
59.01379	4.7
61.98836	100.0
71.62547	0.8
71.62961	0.5
78.95924	1.6
89.40287	0.6
141.56555	0.5
141.99220	0.6
181.78603	0.5
196.89491	3.8
197.89558	2.4
265.31979	0.5
338.99728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67044	1.2
57.03452	22.0
59.01390	21.0
61.98836	47.3
65.00333	1.8
65.40377	1.4
67.01900	1.4
69.03464	4.9
69.37427	5.3
69.37856	6.3
71.01386	14.2
72.99306	2.5
73.02966	7.4
81.03455	5.8
83.01396	25.1
85.02948	6.0
87.00854	1.5
89.02451	11.0
93.03472	9.5
95.01393	2.5
95.05025	2.3
96.96037	1.4
97.02958	4.6
98.32256	1.8
99.00887	1.5
99.04539	5.6
101.02450	14.7
107.05019	2.6
108.02223	1.8
109.02958	15.1
113.02480	7.2
119.03490	3.2
121.02966	8.5
123.04534	2.9
124.01667	2.0
125.02455	96.1
126.02757	2.1
137.02452	100.0
138.02931	2.6
139.03964	1.6
144.38811	1.5
149.02457	4.2
150.03221	4.5
151.04019	12.1
153.01959	5.3
159.02991	1.5
161.02451	1.9
161.04562	3.5
164.01231	2.2
165.00491	2.7
165.01930	50.8
165.09236	2.4
167.03513	23.3
171.04581	2.2
173.06105	8.3
177.01956	8.6
179.03523	3.6
179.05627	3.4
183.04543	1.7
187.04044	4.7
188.04799	3.8
189.05595	27.6
190.05885	1.4
195.04497	3.4
201.05566	27.6
211.03973	5.1
212.04832	3.5
213.05574	26.9
214.06154	1.5
215.03458	2.3
215.07095	1.9
217.05058	23.2
221.06244	1.6
225.05536	8.2
226.06317	1.8
227.03465	3.6
227.07123	6.6
229.05067	29.9
233.06180	1.8
235.03984	2.6
237.05571	4.0
239.03479	2.8
239.07086	6.9
240.04169	3.2
241.05083	23.0
243.06746	2.6
249.05547	5.8
251.03606	3.0
251.07083	8.5
252.04195	1.9
253.05006	5.6
253.08221	1.6
255.06613	2.1
257.04517	3.3
262.06268	3.2
263.07068	22.5
264.04095	2.0
265.05072	48.3
265.08084	2.6
266.05460	1.9
267.06647	5.6
269.04471	2.5
269.08182	2.6
275.07104	4.5
277.04999	3.4
278.05811	2.7
279.06595	5.1
281.08160	4.5
283.06021	1.7
287.06952	2.4
289.04688	2.2
290.67667	1.8
291.06674	5.3
293.08267	9.2
295.06000	3.1
303.06503	2.1
305.08157	19.8
306.08685	1.8
307.06241	2.9
309.07648	3.2
319.06110	7.4
321.07788	2.0
323.05533	6.5
323.08878	1.7
331.05957	2.1
333.07748	2.6
335.05603	3.9
336.06369	5.2
337.07159	36.0
339.08978	1.8
347.05438	5.1
348.06299	7.3
349.07172	91.1
350.07498	5.6
351.08557	2.2
355.08200	12.3
358.69278	1.9
359.05524	2.1
361.07068	5.2
365.06619	5.1
366.07089	1.9
367.08185	24.8
368.08514	1.9
371.24438	3.5
377.06647	42.3
378.06891	4.1
379.08234	8.8
387.08557	2.2
395.07748	28.2
396.07971	4.2
443.11691	2.8
449.93918	1.7
453.10141	2.2
461.12228	1.7
471.10770	5.5
487.10477	4.3
497.08664	3.5
505.11462	23.2
506.11517	3.6
515.09839	42.0
516.10120	4.7
532.28967	1.8
533.10608	20.2
533.17102	2.6
533.29895	31.8
534.11053	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	531.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45449	0.5
57.03443	1.5
59.01382	12.9
61.98837	4.1
69.03452	0.6
70.01855	1.7
70.02270	1.1
71.01380	6.1
73.02946	1.3
81.03468	0.7
83.01396	0.8
83.05033	1.4
85.02955	0.9
87.00900	0.8
89.02457	5.5
95.01392	0.9
95.05003	0.5
97.02943	0.7
97.06547	0.6
98.20516	0.7
99.04512	0.7
101.02447	7.0
101.97681	0.5
107.04989	0.7
109.06589	0.6
111.04562	0.5
113.02459	2.5
113.09710	2.2
119.03510	1.4
123.04490	0.6
123.08127	0.7
149.06099	0.8
153.04349	0.4
158.05600	0.5
161.04588	2.9
171.10286	1.3
173.09596	0.6
177.12811	1.1
179.05701	0.6
179.14352	0.7
189.09000	0.6
193.19516	0.5
195.13927	14.9
204.92027	0.5
231.40871	0.6
233.15776	0.6
249.11185	0.7
253.09290	24.3
263.12775	0.6
277.21744	13.9
278.21997	0.9
295.22781	100.0
296.23096	7.6
487.30707	0.8
513.28094	0.5
531.29266	7.8
532.30249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.6
57.03450	6.1
58.00597	3.3
59.01384	72.0
61.98833	34.5
69.03461	2.8
71.01388	100.0
71.05017	1.0
71.63796	1.4
72.01729	1.7
72.99332	5.1
73.02953	29.8
75.00885	2.6
81.03465	1.0
83.01405	11.1
83.05033	1.2
85.02959	31.8
86.43308	0.9
87.00865	6.6
89.02451	71.0
90.82776	0.9
95.01368	5.4
97.02955	3.3
99.00887	20.1
99.04559	1.3
101.02448	68.3
102.02804	1.7
106.68108	0.9
111.00906	2.8
111.04540	1.1
113.02467	34.4
115.04028	1.5
115.48662	0.9
119.03518	18.4
125.02431	6.6
129.01950	1.1
131.03513	13.9
131.06911	0.9
137.02553	1.1
143.03505	5.5
149.04562	34.3
159.02980	5.4
161.04567	28.3
179.05540	6.2
189.12944	1.1
191.05598	11.2
221.06654	1.1
233.06679	2.5
242.19351	1.0
293.08859	3.2
339.18137	1.3
355.16367	1.1
369.18982	1.1
381.22845	1.4
399.23901	78.7
400.24176	8.6
409.52927	1.0
471.21622	1.1
520.11823	1.0
531.28302	81.2
532.28540	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	531.2969
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
57.03450	6.0
57.09304	0.3
58.00594	0.7
59.01381	11.0
61.98516	0.8
61.98830	12.0
62.97319	0.4
66.75899	0.4
69.03466	1.1
69.43742	0.8
69.44141	2.4
71.01385	8.5
72.99307	0.7
73.02954	7.1
79.05558	0.5
79.35437	0.4
80.61548	0.3
81.03457	0.9
83.01398	0.7
83.05025	3.1
85.02971	2.0
87.00874	0.5
89.02453	9.2
93.03477	0.4
93.07146	0.3
95.05068	0.9
97.06618	0.5
99.00902	2.5
99.04529	0.9
101.02441	5.0
107.05083	0.4
109.06627	0.7
111.04519	1.0
113.02464	1.4
119.03510	1.4
119.05018	2.3
119.08669	0.4
121.06606	1.1
123.04541	1.0
123.08157	1.0
125.02439	0.7
125.09711	0.4
131.03520	1.1
135.04448	0.4
135.08130	0.6
137.02469	0.4
137.06087	0.7
137.09772	0.5
143.08563	0.5
147.08162	0.4
149.04575	4.6
149.05739	0.7
149.09761	0.8
151.03906	0.5
151.07675	0.8
161.04565	1.2
161.09758	0.5
163.04004	1.6
163.07652	0.5
173.09782	0.5
175.11333	0.6
179.05635	0.4
185.09647	0.4
187.11273	0.7
189.12845	0.5
191.05574	0.9
191.10796	1.0
197.09737	0.5
198.10478	0.9
199.11295	0.5
203.10837	0.5
205.12283	0.5
213.12827	2.9
223.14946	2.8
225.12854	1.2
239.14552	0.4
241.16116	1.7
261.11383	0.5
263.18024	0.5
267.15988	0.6
283.17212	0.8
327.16135	0.7
359.23761	0.8
377.24872	1.5
395.26013	2.3
399.23782	1.6
433.27539	0.4
439.24976	0.8
451.28824	0.6
457.26077	1.0
469.29788	2.5
495.20398	0.5
508.34473	0.4
513.28821	1.7
531.29602	100.0
532.29999	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	531.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	75.5
58.00599	1.5
59.01381	100.0
60.01726	1.4
61.98829	14.5
64.97349	1.1
69.42937	9.2
71.01386	26.8
71.47466	1.1
72.99331	2.3
73.02950	8.4
81.03481	1.8
83.01397	4.2
85.02952	8.8
87.00908	2.0
89.02454	13.7
95.01401	1.7
95.05030	1.3
97.02946	2.4
99.00883	3.3
99.04522	96.2
100.04860	2.4
100.86308	1.0
101.02446	31.4
109.02858	1.3
113.02453	12.1
119.03489	4.8
120.99657	52.5
121.02946	1.8
124.98418	1.1
125.02448	42.4
132.67162	1.1
137.02481	1.4
137.09775	2.2
138.06886	10.9
143.03488	6.0
153.09204	30.3
154.09470	1.1
159.02953	1.3
161.04562	8.4
168.00696	2.0
177.02005	1.4
189.01953	1.6
207.13902	4.4
225.14964	52.5
226.15326	2.1
268.64951	1.2
307.14017	1.3
341.06625	3.4
369.19171	8.2
387.20264	25.0
388.20779	2.0
429.21292	14.2
430.21323	2.0
469.24448	2.4
487.25238	4.8
495.13120	1.4
496.12552	1.3
531.18115	29.0
531.26361	10.6
532.18622	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	531.2813
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01875	3.3
57.03446	2.7
58.00594	4.3
59.01382	88.6
61.22629	0.9
61.98837	12.0
67.12476	0.8
69.03453	1.8
71.01385	82.4
71.01987	2.2
72.01719	1.0
72.99322	4.6
73.02946	21.2
75.00876	1.0
76.03190	0.9
83.01397	7.6
85.02957	19.3
87.00870	3.2
88.32764	0.8
89.02448	100.0
90.02795	1.3
93.03449	1.2
95.01376	5.4
97.02945	2.6
99.00887	27.2
99.04522	1.7
100.29961	0.9
101.02446	58.2
102.02766	1.1
108.02187	1.8
109.02943	1.3
113.01675	1.7
113.02451	24.9
115.04019	1.6
119.03512	21.2
125.02444	7.6
128.79256	0.8
131.03503	21.1
133.83434	0.9
137.02422	0.9
143.03506	5.0
149.04562	50.5
152.01122	2.2
159.02968	2.3
161.04547	16.6
179.05603	9.2
191.05623	13.4
215.71501	1.1
218.53152	1.0
221.06670	2.0
233.06683	3.4
251.07712	3.3
285.03824	1.0
293.08591	1.1
339.18091	2.1
381.23029	1.2
399.23886	29.1
400.24130	3.7
471.22198	2.2
531.19635	2.2
531.28125	58.9
532.28644	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	531.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	31.1
59.01090	1.1
59.01382	17.9
61.40161	0.6
61.98838	3.5
69.61526	3.4
71.01364	1.5
72.99318	0.5
89.02452	0.8
99.04509	5.0
101.02448	10.0
102.02819	0.6
111.00917	0.8
120.01257	2.5
120.99661	5.7
123.00867	0.9
124.01661	1.0
125.02452	6.6
134.03784	0.8
137.02437	1.0
138.03175	0.9
139.00368	1.1
149.06067	1.8
149.99539	1.0
150.03210	0.6
151.03990	5.2
153.05576	1.6
153.45233	0.6
154.02705	1.9
164.04857	1.2
165.01895	3.5
165.05576	15.7
166.02600	0.6
166.06320	3.1
168.00612	0.9
181.05095	3.7
181.08702	1.6
223.06017	0.8
225.07678	100.0
226.08052	5.1
264.96774	0.7
328.58685	0.6
387.12988	8.4
429.13986	3.6
469.16821	1.2
531.16852	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	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
58.00588	3.4
59.01381	100.0
61.98837	8.0
64.28470	0.9
69.03465	5.6
69.59520	6.7
71.01384	48.6
72.99305	4.0
73.02943	17.6
81.03462	3.4
83.01421	5.0
85.02951	16.8
87.00895	2.2
87.04531	1.8
89.02444	33.9
95.01412	1.7
97.02956	9.0
99.00861	1.8
99.04534	1.1
101.01768	2.0
101.02444	39.5
103.04007	34.3
109.02942	1.1
109.52563	0.9
113.02464	2.8
115.04024	2.1
119.03496	16.9
125.02448	39.4
127.03989	2.9
131.03514	2.4
143.03497	3.9
145.05067	6.3
148.05307	33.8
148.06223	0.7
149.05708	0.9
151.03972	1.5
160.04083	4.5
163.06114	34.3
163.07631	12.7
203.30785	0.9
205.07133	2.5
247.08194	10.5
289.09390	1.7
307.10336	22.7
308.10562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01369	1.9
61.98834	2.8
71.63131	0.4
76.27130	0.3
78.95907	19.5
82.51131	0.3
88.42626	0.3
88.98795	0.6
104.21803	0.3
121.20967	0.3
136.86690	0.3
152.99580	3.0
168.04333	3.2
178.76851	0.3
203.62456	0.3
224.06950	8.2
225.07275	0.4
230.61316	0.4
242.07971	1.9
255.23294	100.0
256.23627	7.3
277.21698	0.5
285.93472	0.3
480.30951	62.8
481.31296	5.2
530.29822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1148
Annotation	6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside)
Peak:m/z	Relative Intensity
55.01876	1.2
57.03445	1.2
58.00607	0.7
59.01380	17.4
61.98834	13.7
62.14460	0.4
63.02418	0.6
69.03452	0.6
70.20403	1.1
70.20794	1.0
71.01387	22.3
72.99319	1.3
73.02954	8.0
74.99109	3.1
75.00883	0.8
83.01395	5.5
83.05018	0.9
83.52629	0.4
85.02950	6.5
87.00868	2.5
89.02449	12.6
93.03464	1.7
95.01411	1.2
95.05025	0.6
96.95998	0.7
96.96965	0.9
97.02935	2.6
99.00898	6.7
99.04534	0.5
101.02445	22.8
103.04022	0.6
107.01376	2.0
107.38050	0.5
108.02206	0.6
109.02970	1.2
111.04542	0.5
111.08154	2.6
113.02460	7.9
115.03998	1.2
116.97661	0.4
117.03441	0.6
119.03513	4.5
119.05033	1.3
121.02992	0.6
123.00920	0.6
123.04552	0.9
125.02457	3.0
127.04010	0.5
131.03505	2.6
132.02187	0.5
135.00905	0.8
136.99167	3.0
137.02438	2.1
143.03503	2.4
143.05054	0.7
145.02968	1.9
149.04578	1.4
151.00349	2.7
151.04033	0.7
159.03029	1.1
159.04449	1.0
161.02490	0.7
161.04564	12.6
163.00400	2.5
163.03986	0.9
163.06140	1.5
163.07645	2.1
165.01945	0.7
165.12869	1.6
167.04996	0.5
169.06589	0.8
179.03465	0.4
179.03957	0.5
179.05634	7.4
185.06038	2.7
187.04019	2.5
189.05548	1.1
191.05679	0.5
195.04517	1.2
197.06108	0.6
199.04031	1.0
205.05231	0.5
205.07147	0.8
207.13899	4.0
211.04008	1.9
213.05589	2.1
219.13925	1.2
221.06667	3.8
223.13393	9.5
227.03525	10.4
229.05049	10.8
230.05347	0.8
239.03551	1.4
241.05148	1.7
255.02997	22.2
256.03616	3.0
257.04562	6.6
263.07739	2.1
263.12909	0.8
267.03003	0.9
267.12463	1.5
284.03284	31.8
285.04047	100.0
286.04395	7.5
325.16632	0.8
332.89542	0.4
338.16278	0.4
344.81058	0.4
369.22751	0.8
370.07236	0.5
399.24060	3.5
431.09824	55.7
432.10162	5.8
471.21805	0.9
530.27795	0.4
531.11420	23.6
531.28229	20.6
532.11975	2.8
532.28442	1.6
553.22943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84385	0.3
57.03439	1.1
59.01385	8.4
61.98844	2.3
69.03465	0.4
70.78236	0.5
70.78570	0.6
71.01383	5.6
72.99310	0.4
73.02946	1.2
74.95196	0.3
76.53269	0.3
82.53461	0.3
83.01379	0.5
83.05015	0.6
85.02953	1.1
87.00865	0.7
88.92992	0.3
89.02450	5.2
95.01373	0.5
97.02898	0.4
98.38448	0.4
101.02453	6.4
109.06553	0.5
113.02445	2.9
119.03445	1.6
123.08179	0.4
143.03532	0.7
149.04552	0.4
161.04565	3.3
177.12744	0.3
179.05563	0.8
179.14468	0.6
195.13914	9.0
196.14461	0.9
205.12338	0.4
211.13309	0.4
223.13411	6.2
225.14958	0.4
228.13676	0.7
253.09296	30.5
254.09685	0.9
256.13187	1.0
267.16208	0.5
275.20178	5.7
276.20551	0.4
277.21298	0.3
293.21237	100.0
294.21609	7.0
492.22116	0.4
529.28186	3.1
530.28577	0.6
540.40582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03442	1.3
58.00591	0.7
59.01380	14.3
61.49329	0.3
61.98827	2.9
67.23804	0.3
69.03444	0.8
69.70377	2.2
71.01382	9.2
72.99292	0.5
73.02945	2.7
81.03465	0.5
83.01379	1.1
83.05027	1.0
85.02959	3.3
87.00883	1.2
87.04489	0.5
89.02438	8.2
89.04615	0.4
95.01383	0.5
95.05024	0.7
97.06577	0.7
98.20541	0.5
99.00871	0.5
99.04549	0.6
101.02445	9.4
103.04003	1.0
109.06572	0.5
110.47274	0.3
113.02450	3.8
115.03982	0.4
119.03477	2.5
121.06612	0.5
123.04543	0.5
123.08211	0.4
123.64469	0.3
125.09774	0.4
131.03476	0.9
137.06104	0.4
143.03494	1.1
149.04468	0.4
151.07599	0.4
161.04553	3.3
161.13284	0.4
163.06122	2.4
163.07486	0.6
167.10732	0.7
169.12383	0.5
177.12877	0.6
179.05583	1.4
179.10765	0.5
179.14345	0.7
185.09708	0.4
195.13890	8.8
196.14468	0.8
200.23436	0.4
201.09232	0.3
205.07224	2.0
205.12320	1.2
211.13440	0.9
223.13405	5.8
228.13684	0.7
249.22235	0.5
253.09273	30.4
254.09558	2.0
256.13199	1.1
263.12686	0.5
265.21686	0.5
267.16040	0.4
275.20132	5.1
276.20395	0.5
293.21216	100.0
294.21558	8.1
413.97989	0.4
485.29803	0.5
492.22009	1.1
511.27432	0.6
529.28040	5.9
530.27899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82502	2.6
59.01384	26.4
60.99313	13.7
61.98830	7.1
64.05843	1.8
66.11573	1.8
69.70837	11.9
71.01366	3.6
73.02983	2.0
78.95926	17.5
85.02979	2.9
87.00854	3.5
88.00420	4.8
88.98812	76.1
89.02453	44.3
89.79648	1.9
152.99608	2.6
168.04417	2.4
179.07112	2.4
224.06950	9.7
242.07994	2.6
255.23312	100.0
277.21707	12.2
363.68741	2.7
480.30975	78.0
529.29761	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	529.2655
Annotation	Pharboside D
Peak:m/z	Relative Intensity
55.01883	1.0
57.03446	1.2
58.00591	4.1
59.01385	99.5
60.01735	0.9
61.98838	41.4
71.01389	57.0
72.01706	1.4
72.92544	0.7
72.99307	4.8
73.02956	4.5
76.44523	0.9
83.01389	3.1
85.02964	9.4
87.00871	4.0
89.02455	72.7
95.01381	3.2
95.05006	3.4
97.02996	1.1
97.06580	1.2
97.28279	0.9
99.00909	2.2
101.02453	41.6
109.02912	1.0
111.04508	1.7
113.02466	25.1
114.02775	1.0
114.42666	0.8
117.77666	1.0
119.03516	33.6
121.02959	1.2
121.10252	1.4
123.00892	1.0
124.01644	2.6
125.02483	9.2
129.01939	1.3
131.03487	4.1
137.02415	1.5
137.09763	5.7
139.11266	1.7
143.03526	6.6
149.04565	3.1
149.05948	1.0
149.09724	3.0
149.99577	4.2
153.09296	1.2
160.03998	3.4
160.05209	1.1
161.04579	12.1
161.13312	1.6
163.07640	1.7
168.00638	6.5
175.07715	0.9
179.05646	27.9
187.96455	0.9
193.08716	1.3
210.10590	1.1
251.18134	5.2
253.15997	16.6
254.16269	1.2
259.07098	1.1
269.19128	8.8
271.16983	4.0
287.20236	1.7
295.16946	1.7
313.18106	22.0
314.18338	3.1
315.26019	1.0
331.19202	16.5
332.19427	1.3
337.21225	1.2
349.20203	23.3
367.16483	1.5
367.21249	41.3
367.25858	2.2
368.21497	3.9
469.24927	1.4
493.24081	1.7
511.25430	28.9
512.25708	2.1
514.26471	1.0
529.19232	13.8
529.26508	100.0
530.19684	1.3
530.26910	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	529.265
Annotation	Pharboside D
Peak:m/z	Relative Intensity
57.03470	2.3
59.01379	14.1
60.70131	0.4
61.26028	0.4
61.98835	13.5
63.98614	0.5
69.03471	0.5
71.01385	9.6
71.64753	0.5
71.65119	0.6
72.99291	0.9
73.02953	2.1
78.95918	2.5
79.05520	0.7
79.95726	1.1
83.01399	0.9
83.05019	0.6
85.02972	3.7
87.00882	1.3
87.04505	0.8
89.02443	6.9
95.01393	0.7
95.05038	0.8
96.96014	36.8
96.96918	2.9
97.02995	0.6
99.00899	1.9
99.04520	1.0
101.02448	8.5
107.05066	0.6
109.02909	0.5
109.06556	0.6
111.00874	0.5
111.04531	2.7
113.02436	3.4
113.06091	0.7
115.03913	0.5
119.03500	1.9
119.04944	0.4
121.06582	0.7
121.10216	0.5
123.04520	1.6
123.08134	0.9
125.02467	1.4
125.06045	1.0
127.07655	0.6
131.03455	0.5
131.08676	1.9
137.06145	0.5
137.09724	1.5
139.04071	0.5
139.11305	1.8
143.03564	0.6
149.04628	1.1
149.09662	0.7
151.04027	0.5
161.04587	2.4
163.11259	1.9
165.09351	0.5
167.07120	1.5
179.10791	0.7
187.07646	1.0
205.08722	0.5
227.03529	1.6
253.15993	2.1
255.03055	2.4
257.04422	0.5
269.19119	9.4
270.19608	0.6
271.16968	1.1
284.03250	3.3
285.04050	3.8
287.20163	1.5
289.18179	1.1
291.15945	0.5
295.17178	0.6
313.18051	8.1
314.18311	0.6
331.19040	3.5
349.20181	7.8
350.20682	0.8
367.21234	65.3
368.21680	5.9
397.22440	0.6
421.22116	0.8
431.09793	5.9
469.06683	0.8
511.25833	1.6
529.26544	100.0
530.26984	10.7
544.18726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03448	2.2
58.00599	0.9
59.01384	14.5
61.98834	11.8
69.03445	0.5
69.79864	1.3
69.80296	1.4
71.01387	9.5
71.05033	0.8
72.99303	0.8
73.02941	2.3
78.95908	3.6
79.05531	1.6
79.95744	2.0
81.11110	0.4
83.01403	1.1
83.05051	1.0
85.02968	3.2
87.00882	1.7
87.04510	1.0
89.02456	7.6
93.03446	1.1
95.01368	0.5
95.05024	0.8
95.94894	0.5
96.96021	48.6
96.96915	3.5
97.02959	0.7
97.06573	0.8
99.00896	2.1
99.04554	1.0
101.02451	8.2
107.05054	0.5
109.02963	1.0
109.06609	0.4
111.04520	2.9
113.02461	3.3
119.03487	2.0
121.10238	1.0
123.04551	1.7
124.00314	0.4
125.02442	1.4
125.06091	0.4
127.07619	0.5
129.60568	0.4
131.08669	1.9
137.02492	0.5
137.09702	1.6
137.14619	0.4
139.11287	1.9
143.03590	0.6
147.08200	0.5
149.04607	1.0
149.06042	0.6
149.09706	0.7
157.10268	0.7
161.04559	2.0
161.05861	0.5
163.11296	1.2
165.05519	0.5
167.07159	1.1
168.26462	0.5
178.04922	0.5
179.05670	1.1
179.10791	0.7
187.07660	0.9
191.05594	0.4
191.14388	0.6
205.12289	0.5
207.13786	0.7
219.13899	0.5
226.45413	0.5
227.03542	1.8
235.13281	1.0
253.16069	2.8
255.02936	3.2
265.14508	0.5
269.19101	8.7
271.16885	0.9
284.03287	4.0
285.04117	4.5
287.20230	1.4
289.18115	1.3
313.18115	11.0
314.18411	0.6
331.19165	3.9
349.20181	7.1
350.20691	0.9
367.21249	64.3
368.21545	7.3
381.82843	0.5
397.22479	0.7
431.09875	8.1
432.10217	0.8
469.04642	0.5
469.24731	0.6
511.25565	1.5
529.26569	100.0
530.26959	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	529.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24502	0.5
52.20792	0.5
52.87887	0.6
54.10809	0.5
57.03448	33.5
57.36733	0.4
59.01387	4.5
61.98835	3.5
71.01369	1.8
71.61981	0.8
73.02953	0.5
81.03437	1.0
85.02962	0.6
85.83051	0.4
87.00894	0.6
89.19535	0.5
93.03459	1.0
99.04520	17.6
101.02444	10.3
113.02425	1.2
117.74513	0.6
120.01241	2.4
121.02948	3.9
125.02457	10.8
135.04507	3.0
137.02400	1.0
142.41263	0.5
143.03539	0.6
149.02443	22.0
149.07582	0.6
150.02780	1.0
151.04025	0.7
152.01175	6.5
161.04605	0.9
163.03998	5.7
164.04788	20.5
165.01910	1.8
165.05214	0.8
167.03474	1.2
169.05070	2.9
169.85886	0.5
179.07130	8.1
180.04341	0.7
193.01392	14.6
194.01900	0.8
208.03769	35.3
209.04233	1.6
223.06105	100.0
224.06433	5.5
234.56793	0.5
237.93361	0.6
245.38037	0.5
265.07208	3.6
299.88770	0.6
305.08807	2.4
355.68118	0.5
383.18588	0.6
385.11420	4.3
427.12521	5.1
466.80716	0.5
511.25711	0.7
529.15295	1.3
529.26685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.2
59.01378	3.4
61.98832	6.7
71.01379	1.6
73.02989	0.4
89.02418	1.2
90.78230	0.4
93.03442	1.4
99.04518	4.1
101.02443	4.4
112.16577	0.4
113.02435	1.0
121.02941	3.2
121.17309	0.4
125.02425	2.9
135.04518	2.5
137.02483	0.5
149.02440	20.6
150.02792	0.9
151.03957	0.7
152.01125	4.5
163.03979	4.5
164.04794	19.5
165.01956	1.5
165.05165	1.0
167.03481	0.8
169.05099	2.2
179.07117	8.5
180.04335	0.4
193.01413	13.7
194.01804	0.5
208.03757	35.1
209.04128	1.5
223.06105	100.0
224.06421	4.3
305.08826	0.6
385.11395	11.6
427.12463	4.4
467.15588	1.3
493.23029	1.0
529.14563	2.5
529.22400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95126	0.2
57.03446	0.4
58.00595	0.2
58.48352	0.2
59.01381	3.5
61.98832	5.9
65.03960	0.8
71.01398	2.2
71.62840	0.3
72.99301	0.3
73.02951	1.1
75.00886	0.5
80.70957	0.2
83.01384	0.5
85.02957	0.8
87.00865	0.6
89.02448	1.5
93.03461	55.5
94.03797	1.3
97.06635	0.3
99.00880	0.4
99.04503	0.3
101.02463	1.7
103.04002	0.4
108.54214	0.2
109.02961	0.3
112.88560	0.2
113.02458	0.9
115.03997	0.3
119.03532	0.2
123.04495	0.4
125.02442	0.7
128.91499	0.2
131.03444	0.4
137.02448	100.0
138.02768	2.7
143.03525	0.2
149.04553	0.4
151.04034	0.3
159.08060	0.2
161.02516	0.4
161.04567	0.5
163.06082	0.5
205.07256	0.5
219.13997	0.2
221.08218	0.2
233.06685	0.2
243.10358	0.2
311.65610	0.2
313.07196	0.3
397.22556	0.4
511.27103	0.4
529.19379	3.6
529.26697	2.1
530.20013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.0
57.03432	6.3
59.01375	52.3
61.98517	5.1
61.98831	100.0
61.99622	2.5
69.03463	10.0
70.34672	10.1
70.35071	4.2
71.01381	50.4
72.99303	4.6
73.02964	19.0
74.41653	2.5
74.99096	8.6
75.00883	3.5
80.91680	3.5
83.01398	8.1
83.05040	4.0
85.02966	20.7
87.00854	6.2
89.02444	31.1
93.03452	4.0
95.01379	4.3
95.05009	3.5
96.95995	4.8
97.02962	4.2
99.00870	14.5
99.04529	4.3
101.02441	41.2
111.00879	2.9
111.04501	4.4
112.09359	2.9
113.02480	20.6
119.03485	6.4
121.02923	4.0
121.06590	3.3
123.04552	3.7
125.02443	20.7
131.03526	5.9
137.02432	8.8
137.09645	3.0
141.09123	2.9
143.03525	4.4
149.02473	3.5
149.04521	10.3
149.06061	3.1
151.07645	3.6
155.56880	2.7
159.02959	4.1
161.02454	3.9
161.04562	18.5
163.06181	3.0
179.10638	3.0
185.00842	5.6
216.32214	2.8
231.10228	3.7
289.07031	3.5
293.08997	3.8
361.12866	3.9
367.21216	5.1
397.22229	11.1
493.17068	41.7
494.17578	5.7
511.27441	5.6
529.14276	6.6
529.27173	71.8
530.27081	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	528.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75877	0.2
59.01392	0.6
61.98835	100.0
67.05957	0.2
67.43660	0.2
69.41755	2.1
71.01431	0.2
94.11481	0.2
96.56676	0.2
168.50525	0.2
181.28572	0.3
182.33812	0.2
197.23849	0.2
203.55032	0.2
211.23044	0.2
287.07220	0.2
528.27173	0.7
529.28699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91914	0.2
57.03464	0.3
59.01385	0.9
60.61839	0.2
61.61463	0.2
61.98832	100.0
69.41656	1.6
69.42091	0.3
71.01398	0.5
73.02969	0.3
83.05043	0.2
85.02972	0.4
98.20624	0.5
101.02444	0.4
105.46788	0.2
204.48508	0.3
352.98151	0.3
383.24490	0.6
445.29846	0.3
515.86047	0.3
528.27344	0.8
529.28717	1.3
536.91949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01376	3.0
61.98832	3.1
64.62868	0.3
70.14151	0.4
71.01379	2.1
71.62876	0.6
73.02946	0.6
78.95903	8.6
79.95738	3.7
84.40243	0.3
85.02963	0.4
86.22200	0.3
89.02444	1.9
93.03464	0.5
95.05023	0.4
96.96013	100.0
96.96915	10.1
97.06598	0.5
99.04545	0.4
101.02442	1.6
106.90154	0.4
107.69647	0.3
108.89781	0.3
113.02451	0.7
119.03514	0.8
120.99655	8.2
125.02411	0.8
127.20238	0.3
132.99097	0.3
161.06158	0.4
163.11374	0.3
211.04042	0.4
227.03506	6.1
228.03830	0.5
229.04996	1.2
241.05077	0.4
255.02968	8.8
256.03604	1.4
257.04523	0.8
261.09534	1.1
284.03265	12.1
285.03995	12.7
286.04327	0.7
301.27844	0.4
393.33313	0.4
431.09805	24.5
432.09933	2.6
441.15912	3.0
529.17719	3.2
529.26532	1.6
549.73206	0.4
554.87628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
59.74697	0.2
61.98831	100.0
67.36429	0.2
69.65133	1.7
71.01389	0.4
73.80072	0.2
86.74398	0.2
89.02461	0.4
90.15582	0.2
101.02491	0.2
105.14261	0.2
108.98919	0.2
122.16677	0.2
123.08241	0.3
125.02483	0.4
229.32616	0.2
412.40479	0.3
528.26642	0.7
529.28125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01373	2.6
61.98833	100.0
66.00361	0.4
71.01385	1.7
71.63536	0.7
73.02929	0.6
83.05036	1.3
85.02945	1.0
89.02451	0.8
101.02437	0.8
113.65551	0.5
125.02479	0.5
147.11752	0.6
189.12769	0.4
237.63385	0.5
274.64859	0.5
299.20181	0.6
318.59320	0.5
386.57910	0.5
386.88837	0.5
440.16232	0.5
528.26935	2.8
529.28571	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	527.2652
Annotation	fijianolide D
Peak:m/z	Relative Intensity
53.32577	1.8
57.03451	13.2
59.01388	16.6
61.98834	14.9
69.03458	9.5
71.01358	5.1
71.47374	2.8
79.05553	4.0
79.91861	1.5
83.05036	11.1
85.02957	2.3
93.55290	1.6
95.05010	3.9
96.80752	1.7
97.02934	1.6
97.06577	11.5
99.00889	1.9
99.04509	1.6
107.05019	10.6
109.06589	4.1
111.04527	4.3
111.08211	1.6
119.08664	1.9
120.98075	1.7
121.06563	4.0
123.04502	8.1
123.08201	4.2
125.09675	2.7
131.08665	14.0
133.06638	4.1
134.51518	1.9
135.04489	2.1
135.08134	4.6
137.09746	2.7
137.10814	1.7
141.05605	2.4
143.18298	1.9
147.08200	2.5
149.06024	2.8
149.09755	8.8
150.06834	3.1
151.07600	4.8
151.11282	2.5
157.10280	2.0
159.11864	4.3
161.09717	2.5
163.07639	5.7
163.11279	3.8
167.57709	1.6
171.08023	3.4
177.12831	2.8
185.09734	2.1
185.13330	2.8
187.11205	8.0
199.11249	4.4
201.09206	2.0
201.12819	7.5
203.10719	4.2
203.14403	3.0
205.12302	20.6
207.10220	23.7
213.09219	2.2
217.12303	11.4
219.13899	37.0
229.12289	4.2
231.10197	6.5
233.11713	2.5
247.13347	26.2
249.11281	33.0
250.11580	2.5
253.95709	1.8
261.11359	21.8
262.11966	12.6
263.12704	5.6
264.13690	25.0
265.13986	2.1
279.12454	9.4
281.13882	3.1
293.21085	2.2
303.15805	2.8
313.23676	2.0
333.20309	2.4
465.26309	1.9
481.25818	2.7
483.27554	4.7
491.24170	3.4
509.25165	16.9
527.26392	100.0
528.27045	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	527.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07813	0.4
54.01854	0.3
57.03452	5.7
59.01384	100.0
60.01707	1.0
61.98838	4.0
69.03474	0.7
69.30936	3.8
71.01384	0.5
71.05032	0.8
72.31387	0.3
73.02972	0.7
83.05037	7.9
85.02977	0.7
85.06596	1.0
87.00916	0.4
95.05064	0.9
97.06644	0.9
99.04514	4.1
99.08169	2.1
101.06127	1.8
107.05022	0.4
109.06592	1.1
111.04540	2.7
111.05215	0.4
113.09751	1.2
121.06570	0.5
123.04560	0.9
123.08186	1.7
125.02466	0.7
125.06096	0.8
125.09766	0.9
126.03241	0.5
127.04036	4.7
127.07659	10.3
128.07993	0.4
129.05605	4.5
133.06606	0.8
137.06157	0.4
141.09233	5.0
147.08231	0.5
149.06133	0.6
149.09760	0.6
152.04836	0.5
157.12393	1.3
163.11328	0.8
165.09256	1.0
179.10748	0.5
180.66666	0.4
185.08212	1.2
201.09192	0.4
201.12938	1.2
203.10873	0.5
207.10350	1.7
217.12292	1.2
219.13918	6.8
220.14313	0.7
231.10234	0.5
233.11880	0.6
235.09790	0.4
247.13422	0.6
261.11353	3.5
279.12466	1.5
337.27328	0.7
339.29816	0.4
355.28693	1.4
405.33664	2.1
423.34830	18.6
424.35229	2.3
441.36060	1.0
447.25610	0.8
449.32736	4.6
450.33356	0.5
453.23056	0.7
467.34152	1.5
481.26013	0.5
483.28009	0.5
483.36957	0.5
496.13745	0.4
509.26117	0.7
509.34869	0.7
527.26392	11.0
527.35645	1.9
528.26727	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	526.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.3
59.01378	0.8
61.98833	100.0
69.43471	0.9
69.43896	1.2
71.01407	0.4
75.00876	0.6
85.02956	0.3
98.19881	0.4
101.02489	0.2
107.05044	0.3
109.06632	0.3
109.68688	0.3
119.29486	0.3
123.04568	0.5
125.02451	0.5
128.30264	0.2
129.82838	0.2
151.03963	0.3
233.11823	0.3
350.98276	0.2
369.76816	0.3
526.25397	0.7
527.26703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03456	0.9
59.01379	8.3
61.98827	20.5
69.85244	0.4
71.01382	4.5
71.62432	0.8
73.02960	1.0
83.01386	0.6
85.02975	1.7
86.88448	0.4
87.00905	0.8
89.02441	4.4
97.02980	0.7
99.04539	0.7
101.02451	3.7
113.02475	1.5
119.03502	1.7
120.99674	1.0
121.02955	0.6
125.02437	1.1
141.01952	0.9
142.05061	0.8
142.06650	0.6
145.02948	0.6
147.04433	0.7
151.04074	0.7
158.03723	11.7
159.04536	3.2
161.04570	0.8
171.04472	0.9
175.03998	0.7
179.05641	1.0
184.05273	2.9
185.06065	3.7
197.06032	0.5
201.05592	2.1
202.02708	100.0
203.03233	6.9
213.05569	20.2
214.05945	0.7
225.05785	0.5
227.03508	6.7
251.14671	0.6
253.09218	1.8
257.04514	1.0
269.04425	0.8
273.15045	0.6
311.73676	0.5
325.20169	0.4
347.07660	0.8
350.31042	0.4
379.16129	0.8
413.51178	0.5
489.19653	0.9
491.22836	0.7
509.23788	1.2
527.13928	66.4
527.24933	3.8
528.14392	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	526.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88258	0.3
57.03461	0.3
59.01378	1.8
61.98833	100.0
69.35149	1.4
69.35577	1.1
71.01389	2.0
73.02972	0.5
74.05963	0.3
75.00011	0.2
83.01376	0.5
85.02969	0.6
87.00838	0.3
87.98216	0.3
89.02472	0.9
101.02436	1.3
101.06112	0.8
102.68444	0.2
104.50186	0.2
109.02991	0.7
110.43880	0.3
113.02487	0.6
121.02998	0.3
122.03716	0.3
123.04530	0.6
125.02470	1.3
137.02477	0.7
148.39938	0.3
151.04036	0.5
153.05579	0.8
154.05992	0.3
156.80093	0.3
161.04579	0.3
167.03523	0.3
177.01949	0.3
243.03197	0.3
289.07291	1.3
300.02536	0.3
301.03525	0.5
334.19333	0.4
335.20837	1.3
341.07089	0.3
463.08975	0.6
466.23862	1.6
467.25113	0.7
517.28522	0.3
526.21765	0.3
527.17926	0.3
527.25104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
61.98837	100.0
66.11766	0.3
69.28027	1.2
69.28458	1.6
71.01391	1.2
73.02975	0.6
74.99127	0.4
83.01385	0.5
85.02970	1.0
86.60275	0.3
87.04508	0.3
89.02440	0.7
98.19734	0.4
101.02464	1.4
102.02804	0.3
103.03365	0.3
103.04021	1.3
109.02963	0.6
115.39737	0.3
123.00900	0.3
123.04535	0.6
125.02485	0.7
149.04608	0.3
151.04005	0.3
157.06630	0.4
166.42293	0.3
196.94696	0.3
206.59644	0.4
289.07251	0.4
296.11838	0.3
324.08862	0.3
356.54803	0.3
467.24731	0.4
526.20306	0.3
528.31024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.3
59.01378	0.8
61.98833	100.0
69.43471	0.9
69.43896	1.2
71.01407	0.4
75.00876	0.6
85.02956	0.3
98.19881	0.4
101.02489	0.2
107.05044	0.3
109.06632	0.3
109.68688	0.3
119.29486	0.3
123.04568	0.5
125.02451	0.5
128.30264	0.2
129.82838	0.2
151.03963	0.3
233.11823	0.3
350.98276	0.2
369.76816	0.3
526.25397	0.7
527.26703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01374	2.1
60.99297	0.3
61.98830	100.0
69.03447	0.4
71.01388	1.2
71.62608	0.3
73.02955	0.4
75.23258	0.3
83.05036	0.3
85.02959	0.6
87.00891	2.0
88.00414	1.0
88.98812	1.2
89.02444	1.2
95.05060	0.3
101.02477	1.2
107.05082	0.4
113.02406	0.4
121.06596	0.4
123.04548	0.8
125.02459	0.6
135.08174	0.3
143.26884	0.3
147.08203	0.3
149.06129	0.5
161.04573	0.3
189.12862	0.4
199.11249	0.6
217.12413	0.3
233.06245	0.3
233.12019	0.3
236.24632	0.3
237.15196	0.4
261.11374	1.2
277.76208	0.3
289.18152	0.4
303.19714	1.6
304.20026	0.8
351.14682	0.4
376.13007	0.4
431.69098	0.3
446.95868	0.4
481.26370	0.3
482.26324	0.5
525.25092	0.6
526.25586	1.5
527.26855	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.97708	0.3
64.43648	0.3
65.36494	0.3
69.49730	2.5
71.01391	0.5
87.86752	0.3
92.98024	0.3
111.45242	0.3
131.78030	0.3
206.54091	0.3
226.25812	0.3
327.28189	0.3
429.21686	0.3
463.08884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29971	0.4
59.01390	1.8
61.98835	100.0
65.00340	0.6
71.01389	1.3
79.27607	0.4
83.01418	0.6
85.02978	0.5
87.00875	0.4
89.02469	1.6
98.20750	0.9
101.02442	1.1
104.21980	0.4
107.01414	1.3
109.02936	0.9
116.54023	0.4
119.03484	0.6
120.93655	0.4
121.03002	0.7
125.02475	0.4
131.13847	0.4
148.01656	0.6
149.04585	0.7
151.00388	4.2
151.03993	0.5
152.01192	0.4
163.00412	1.4
164.01135	0.5
178.99902	2.8
227.03549	0.8
243.02988	3.8
244.03418	0.6
244.29405	0.4
254.02179	0.7
255.03004	8.7
271.02475	18.4
272.03024	1.8
299.01984	0.6
300.02747	35.7
301.03473	14.8
302.04007	1.0
317.03076	1.9
463.08835	43.9
464.09116	4.9
466.23273	0.4
467.24591	0.4
527.25085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93115	0.3
58.47350	0.3
61.81461	0.3
61.98835	100.0
69.57578	2.0
71.01393	0.3
73.81322	0.3
78.70233	0.3
87.74318	0.3
98.20599	0.6
109.68349	0.3
154.80945	0.3
189.38405	0.3
235.67288	0.3
243.36615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35411	0.2
58.33368	0.2
59.01379	0.7
61.98831	100.0
62.98518	0.2
67.82468	0.2
69.34199	0.2
69.41553	1.6
71.01398	0.5
77.68539	0.2
83.18760	0.2
85.31321	0.2
87.26148	0.2
89.02444	0.3
101.02487	0.3
113.02444	0.2
125.02446	0.4
138.05585	1.0
151.04031	0.2
153.01978	0.4
168.04228	0.2
183.06714	0.4
202.02756	0.4
289.07104	0.2
305.11493	0.5
317.10266	0.2
407.14737	0.3
527.13586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51468	0.6
54.26148	0.8
55.58179	0.7
59.01366	4.3
61.98833	100.0
69.34253	1.7
69.34650	6.0
69.41811	0.7
71.01397	2.7
73.02976	0.9
89.02452	4.3
98.19880	1.4
101.02460	2.3
107.01397	0.9
113.02502	1.5
119.03616	1.0
131.03558	1.2
149.04567	2.4
151.00395	3.6
163.00304	0.7
178.99884	1.9
211.18961	0.7
214.85561	0.8
227.03592	0.9
243.03073	2.6
254.02254	0.9
255.02983	10.3
271.02472	19.6
272.02884	1.2
300.02765	37.6
301.03482	19.1
302.03635	0.7
304.14532	0.8
463.08810	46.8
464.09219	4.4
465.23477	0.7
466.23557	0.9
538.65662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.6
60.34803	1.1
60.44827	1.0
61.98830	20.0
69.92122	1.1
71.01379	4.5
72.99310	3.7
75.00872	29.5
83.01405	2.2
85.02924	1.3
88.47032	1.1
89.02448	6.8
97.02912	1.5
98.19828	2.5
99.00888	1.3
101.02454	2.5
109.02966	2.7
117.01927	1.7
121.02953	3.9
123.04507	4.2
125.02454	2.6
133.02956	3.3
135.03001	99.4
137.02441	4.6
148.01744	1.3
149.02440	12.1
150.03235	1.9
151.04025	4.0
158.06160	1.3
161.02463	18.6
163.00377	11.7
164.01108	2.9
165.01924	34.7
165.05624	4.3
166.02245	2.4
176.01111	8.4
177.00310	1.7
177.01918	34.5
178.02315	1.4
181.05005	2.1
190.02728	2.6
202.02769	1.5
202.99818	3.8
204.00600	2.2
205.01414	4.4
209.78920	1.7
218.02206	4.7
265.04922	1.3
283.09540	1.1
295.90045	1.1
309.04028	5.2
312.07974	1.4
327.05084	100.0
328.05484	8.3
345.06079	4.1
366.09235	1.4
373.05600	1.2
450.67142	1.3
467.20844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31219	1.2
55.01880	4.2
57.03455	3.9
59.01091	2.4
59.01383	49.0
61.98836	23.2
63.69111	1.3
70.63468	3.9
70.63823	1.7
71.01389	41.4
72.17973	1.3
72.99319	3.2
73.02945	15.2
81.47819	1.3
83.01391	7.3
83.05022	4.0
85.02953	21.1
87.00883	3.0
89.02438	7.9
95.01398	3.3
95.05038	2.0
97.02948	2.6
97.06593	1.5
99.00903	6.7
101.01781	2.2
101.02446	41.5
111.04526	1.7
113.02444	16.1
121.06583	3.3
122.03758	1.5
123.04499	2.3
125.02448	2.0
125.77084	1.3
131.03502	19.8
135.08176	1.7
143.03529	2.4
147.08215	2.4
149.04515	1.6
149.05994	1.9
149.38049	1.4
159.02959	3.4
161.04573	15.1
161.09735	1.7
165.09138	1.8
171.11879	1.7
173.09668	2.1
187.11276	2.0
189.12860	2.8
199.11229	2.8
201.12859	4.1
203.10872	1.6
217.12379	3.4
219.13873	1.7
233.11694	2.3
235.13458	2.1
243.10297	1.8
245.11708	2.9
261.11401	3.9
263.12659	2.0
279.12015	1.7
333.22818	100.0
334.23053	7.1
377.21677	2.7
378.57605	1.4
465.27063	48.4
466.26953	7.5
481.26196	8.4
507.23862	2.2
525.25049	24.0
526.25507	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98825	6.7
71.60256	3.9
71.62642	4.5
78.95888	4.5
101.55657	4.1
126.01858	3.9
132.36493	3.4
143.63060	3.1
149.61612	3.4
199.14980	6.9
228.11586	4.1
243.13905	37.4
435.76630	4.3
447.29254	5.5
465.30090	11.7
525.18347	4.2
525.37177	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01382	100.0
60.01713	0.8
61.98838	5.1
69.03475	0.6
70.22630	1.5
71.01396	0.6
71.05029	1.9
72.02221	0.5
82.95452	0.4
83.05025	8.2
85.06616	1.2
95.05025	0.9
97.06606	2.0
99.04524	6.3
99.08176	1.7
100.98376	0.4
101.02444	0.5
101.06079	2.5
109.02977	0.6
109.06583	0.8
111.04535	3.4
111.08220	0.4
112.01690	0.5
113.09721	0.9
121.06597	1.1
123.04542	1.2
123.08172	1.4
125.02463	0.9
125.06085	1.1
125.09734	0.7
127.04015	3.1
127.07652	18.3
128.07974	0.5
129.05588	3.6
135.04547	0.9
137.06076	0.5
141.09236	7.0
147.08159	0.7
149.06117	0.8
160.80536	0.5
165.09248	1.3
165.12880	0.5
173.06096	0.5
173.09779	0.6
175.11264	0.6
189.09348	0.6
189.12888	0.5
191.05885	0.5
199.11298	0.6
201.12857	0.6
205.08670	0.6
209.19064	0.8
211.13373	0.5
217.08678	0.5
217.12488	0.7
219.13947	1.4
220.03807	1.4
231.10336	0.6
233.11893	1.7
247.13345	0.9
261.11365	0.8
263.12784	0.6
265.07248	2.0
269.17627	0.9
277.11014	0.6
287.18668	0.5
293.24875	0.5
335.26132	0.7
353.26962	4.3
354.27390	0.5
403.32388	1.7
421.33252	27.7
422.33707	3.2
439.34567	1.7
447.31125	5.0
448.31464	0.7
463.34116	0.7
465.32401	1.6
481.25620	0.9
481.35535	0.8
514.12823	0.5
525.25226	7.7
525.34277	1.8
526.25934	0.6
526.35114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32454	0.4
57.03452	0.7
58.82628	0.4
59.01384	20.3
60.01724	0.5
61.98836	39.1
63.64356	0.5
69.80878	2.8
71.01385	2.0
83.05038	1.0
85.02959	1.1
89.02441	1.3
94.16542	0.5
101.02451	2.1
110.12167	0.5
113.02454	1.7
119.03504	1.2
123.04489	0.5
125.02461	1.0
137.02438	0.7
138.02000	0.5
161.04601	1.1
163.07547	0.5
217.12296	0.6
233.11749	0.5
234.82635	0.6
245.11775	1.1
303.19666	100.0
304.20020	10.0
317.21185	2.2
345.20706	1.1
375.21732	0.6
465.24918	1.7
465.32086	0.5
525.25574	4.3
525.33179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01381	28.4
61.98834	100.0
69.03452	1.5
70.78606	1.8
70.78939	1.1
71.01384	31.9
72.99313	2.9
73.02948	10.9
75.00875	13.8
83.01384	7.1
85.02951	12.5
87.00878	2.4
88.98796	1.2
89.02448	12.5
93.03477	3.1
93.40130	0.9
95.01382	1.9
96.96043	0.8
97.02991	1.1
99.00884	4.2
101.02447	25.5
102.02843	1.0
103.04027	2.2
107.05042	1.6
113.02449	9.3
119.03505	3.1
121.02934	4.8
125.02431	4.6
129.01921	1.1
131.03516	2.1
135.04503	2.8
136.01694	1.4
137.02470	8.8
141.98283	2.6
143.03503	2.1
149.04585	2.1
150.03337	0.8
151.00363	1.9
151.03986	1.6
154.05139	1.9
157.00650	2.3
161.04562	9.2
163.00356	1.3
163.06128	6.4
178.99812	1.1
179.03511	2.3
205.07169	1.7
247.08408	1.2
264.93872	0.9
271.02560	2.3
289.95645	1.0
298.04681	3.1
299.05112	4.4
300.02713	3.2
314.07864	1.0
317.03055	3.3
319.17685	6.2
333.19202	25.6
334.19443	1.9
341.06537	2.3
342.06995	9.3
358.49612	0.9
361.16571	1.2
362.16635	1.4
363.17004	3.4
377.18124	0.9
393.62854	1.0
437.08768	1.0
462.11304	10.0
463.08386	5.7
465.23419	55.3
466.23837	6.4
525.23035	20.2
526.22992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98836	100.0
67.89803	0.4
68.69073	0.4
71.62851	0.7
75.00889	0.7
106.43156	0.5
114.32412	0.4
117.81271	0.4
129.37839	0.5
158.94603	0.6
443.91745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98836	100.0
62.98526	0.3
68.37057	0.3
71.01378	0.3
71.40548	0.6
75.00894	0.7
78.77699	0.3
101.02444	0.4
137.02507	0.3
155.80293	0.3
163.06258	0.3
191.72108	0.3
193.75739	0.3
200.65565	0.4
219.46881	0.3
340.01025	0.3
346.79944	0.3
521.34998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76138	0.3
57.75445	0.3
59.01377	0.5
61.98833	100.0
71.01366	0.4
75.00873	0.9
76.69995	0.3
79.76019	0.3
93.03474	0.4
116.85088	0.3
118.98999	0.3
137.02490	0.6
183.57996	0.3
327.22012	0.5
419.00528	0.3
464.25089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.5
60.94247	0.4
61.98833	100.0
62.60649	0.5
70.81367	1.4
71.01397	1.0
76.71980	0.5
83.05026	0.5
85.02950	0.5
87.00912	0.4
97.29730	0.4
101.02468	0.6
111.84563	0.4
113.02497	0.7
121.06628	0.7
123.04581	0.4
137.02443	0.4
173.09613	0.5
177.09377	0.4
189.21240	0.4
212.77594	0.4
233.11914	0.5
245.11810	0.7
266.33997	0.4
303.19687	20.6
317.21555	0.7
319.57635	0.4
434.62619	0.5
464.50330	0.5
524.24335	1.3
525.25201	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	524.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
59.01387	2.6
61.98838	100.0
70.14767	1.4
70.92402	0.3
71.01395	1.7
73.02963	0.9
75.00900	0.4
83.01426	0.5
85.02972	0.5
87.00929	0.5
89.02467	1.3
101.02457	1.4
104.53259	0.3
109.02980	0.4
113.02464	0.8
123.04578	0.3
125.02481	1.1
126.02780	0.3
130.85339	0.3
135.04555	0.6
152.01207	0.4
161.04594	0.4
169.12482	0.4
177.07338	0.3
260.09479	0.4
285.04147	0.5
392.86288	0.4
397.77817	0.3
417.19672	0.3
429.66925	0.3
459.75500	0.3
464.25247	0.4
500.65897	0.3
513.84369	0.3
524.22302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.7
61.36003	0.3
61.98836	100.0
71.01383	3.5
71.05045	0.3
72.01728	0.5
72.99345	0.5
73.02955	1.7
81.03490	0.5
83.01392	0.7
83.15401	0.3
85.02982	1.3
85.94440	0.3
87.00891	0.5
87.04520	8.0
88.00400	0.6
88.04838	2.0
88.98803	3.2
89.02473	2.1
93.03468	0.4
98.19836	0.8
99.00872	0.3
101.02453	2.1
106.11702	0.3
108.02174	0.8
109.02992	0.6
113.02481	0.8
119.05058	0.5
123.04549	0.7
125.02500	1.0
131.03513	0.4
137.02499	1.2
149.04449	0.4
152.01198	1.3
153.01921	0.6
153.05626	0.5
161.04695	0.5
161.78687	0.4
167.03467	0.3
169.12376	0.6
178.02687	0.5
196.03844	1.1
293.08878	0.5
294.09280	0.7
308.17984	0.8
321.80234	0.4
344.15158	0.4
436.23053	0.7
456.24673	0.4
462.04288	0.3
464.16595	0.8
464.26169	0.5
478.60098	0.4
524.18726	0.5
525.20313	1.3
525.26129	0.5
545.50964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02278	0.3
57.03448	0.3
59.01377	2.2
61.98832	100.0
69.57073	1.9
69.57476	0.7
71.01385	2.2
73.02942	0.6
85.02930	0.4
87.00926	0.3
89.02445	1.5
95.01408	0.3
98.20595	0.4
99.00857	0.5
101.02445	1.6
102.58062	0.3
113.02477	1.0
119.03521	0.4
123.00872	0.4
124.01717	0.5
125.02435	1.5
131.03500	0.3
137.02454	0.9
148.04024	0.7
149.02457	0.5
149.99602	0.8
150.03250	0.6
161.04544	0.7
165.05659	1.0
166.05103	1.4
168.00610	2.0
177.01920	0.5
179.03479	0.5
195.06693	0.4
210.04260	0.4
239.05516	0.5
277.30875	0.3
283.15750	0.7
284.16086	0.3
305.98871	0.3
313.05624	0.6
331.06723	0.5
464.22180	1.2
465.19922	0.5
482.21173	0.3
489.20090	0.9
507.14792	0.4
521.37299	0.4
524.10370	3.1
525.12085	1.2
525.19550	0.4
525.29230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98831	100.0
62.98529	0.2
69.72655	0.2
70.17730	0.1
71.01389	0.5
71.62646	0.2
71.63069	0.1
73.71368	0.2
81.03483	0.2
83.05016	0.3
85.02991	0.2
89.02454	0.3
91.56667	0.1
94.40546	0.1
101.02448	0.5
102.53956	0.1
109.59438	0.1
113.02451	0.4
119.05073	0.4
121.16488	0.2
123.04589	0.1
125.02441	0.3
163.04034	0.6
168.00655	0.2
183.10269	0.3
283.36725	0.2
294.11765	0.2
300.02692	0.2
312.06143	0.1
376.27487	0.2
489.54379	0.2
524.35803	0.6
524.86102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86431	0.2
57.81729	0.2
59.01379	0.8
60.20350	0.2
61.98835	100.0
69.62094	1.7
71.01393	0.8
73.02955	0.3
81.29011	0.2
85.02988	0.5
89.02442	0.3
101.02451	0.6
113.02448	0.3
135.91818	0.2
152.07135	0.2
161.04587	0.3
163.23427	0.2
171.24855	0.2
255.03021	2.8
283.02524	2.1
284.03326	0.6
297.04117	0.6
298.04868	0.4
299.05624	0.4
331.17474	0.3
333.19232	0.4
334.14557	0.2
345.21222	0.3
398.04236	0.3
437.25861	0.3
446.08276	1.2
461.10938	5.8
461.17453	0.4
462.11609	0.7
464.22009	0.3
465.23468	0.3
492.17770	0.4
524.29138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66023	0.4
61.98832	100.0
62.47443	0.5
69.57726	2.7
69.58135	0.9
71.49747	0.5
74.00710	0.8
77.13388	0.4
77.65471	0.4
88.98795	0.5
91.28773	0.4
98.20657	0.8
99.34231	0.4
128.11621	0.5
177.07825	0.5
227.03517	0.5
243.02966	4.0
255.03104	0.4
257.04678	1.2
270.01816	0.7
271.02423	5.1
285.04129	2.1
286.05002	0.8
299.02069	1.7
300.02850	1.9
314.04288	8.4
315.05023	4.4
461.10898	14.9
462.11569	1.6
533.21326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.1
57.72419	0.1
59.01390	1.1
60.99326	0.2
61.98835	100.0
62.98541	0.2
67.47031	0.1
69.57700	0.1
71.01393	0.6
73.02951	0.4
74.00706	0.7
83.01396	0.2
85.02962	0.8
88.98818	2.3
89.02461	0.3
90.99255	0.2
93.03487	0.3
95.01382	0.2
98.77736	0.1
99.00909	0.3
99.79908	0.1
101.02464	0.8
104.05086	0.2
109.02979	0.4
113.02452	0.3
114.14992	0.1
118.03011	0.2
119.03496	0.2
124.01686	0.2
125.02460	0.4
136.00763	0.5
137.02463	0.6
139.04002	0.2
148.04106	0.2
151.00375	0.3
153.01941	0.8
154.95654	0.1
158.19978	0.1
161.04561	0.3
166.05165	0.7
179.10919	0.1
180.06670	0.4
199.04094	0.2
210.04095	0.3
215.03532	0.4
227.03531	0.6
229.59073	0.2
233.14973	0.1
242.02222	0.6
243.02991	4.4
244.03217	0.2
255.03128	0.7
255.05424	0.1
257.04614	1.3
257.07129	0.2
270.01727	1.1
270.86130	0.2
271.02490	4.8
272.02972	0.5
285.04034	2.6
286.04855	0.8
287.05670	0.2
299.02023	2.1
300.02722	2.0
314.04330	8.3
315.05081	4.4
315.08740	0.2
316.05365	0.3
337.14511	0.2
363.14539	0.2
461.10895	15.7
462.11191	1.6
524.22137	0.3
525.22174	0.2
525.29327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01381	4.5
61.98831	59.3
69.03445	1.3
69.97160	1.1
69.97557	1.7
70.90573	0.5
71.01384	4.4
73.02955	1.0
74.99097	0.6
81.03427	0.6
81.93005	0.5
83.01385	1.2
85.02943	1.5
89.02439	2.4
95.01406	1.8
97.02946	1.2
98.19889	0.7
99.00865	0.8
101.02438	3.7
102.53350	0.5
104.05067	7.7
105.05390	0.6
107.01383	0.8
108.02205	1.2
109.02950	0.9
111.00868	0.9
113.02412	1.4
119.03468	0.5
120.04537	1.6
121.02949	1.1
122.06128	0.7
123.00895	6.3
124.00826	1.0
124.01674	16.3
125.02448	20.0
126.02812	0.7
135.04565	0.9
136.01651	1.1
137.02457	5.7
138.02956	0.6
147.72304	0.5
148.04045	26.7
149.02376	0.6
149.04419	1.0
149.99586	24.6
151.00233	1.9
151.04025	0.9
154.96605	0.7
161.04535	1.4
163.04044	0.5
166.05093	38.6
167.03476	1.7
167.05438	1.5
168.00638	53.2
169.01430	7.7
179.03474	1.1
181.01140	0.6
190.05138	0.7
192.02995	3.1
193.01488	0.6
210.04076	11.1
211.02567	0.7
283.15430	0.8
287.10339	0.5
289.27121	0.6
313.05649	12.9
313.09253	0.8
314.05896	0.5
331.06689	13.5
332.07162	1.0
391.23425	0.7
392.23914	0.6
465.24036	0.8
506.09335	4.0
507.09424	0.7
523.27686	2.9
524.10449	100.0
525.10724	11.4
544.83844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.2
58.00592	4.6
59.01382	15.0
61.98832	10.5
69.03436	0.9
70.12819	0.8
70.36119	0.8
70.56107	1.2
71.01387	1.4
80.41386	0.9
81.03464	1.7
83.05025	4.8
85.06603	1.5
87.00928	0.9
95.05025	1.8
97.06595	17.2
99.04516	2.5
99.30666	0.8
105.07147	0.8
107.05023	1.1
109.06561	1.2
112.54112	0.7
113.02457	0.8
123.08159	4.6
125.09692	3.2
133.06537	1.3
137.09709	1.0
163.11339	0.8
165.12891	5.7
175.11301	2.2
179.14395	1.4
187.11168	1.0
189.09216	1.0
189.12796	4.7
191.12929	0.9
191.14362	4.3
193.12315	6.7
195.13992	0.9
197.15456	1.9
199.11415	1.8
201.12804	1.2
203.14435	5.3
205.15968	6.5
207.13857	1.0
209.15546	2.2
215.14391	6.0
217.12311	1.3
219.13901	50.9
220.14270	2.8
221.15445	10.9
223.17014	7.7
233.15448	21.1
234.15836	1.6
237.14954	21.5
238.15326	1.3
239.16493	4.4
251.16499	12.2
252.16948	0.9
253.18060	13.5
255.51747	0.9
269.17566	100.0
270.17957	6.4
287.18610	5.8
313.16632	1.6
425.70697	1.0
523.23383	3.1
523.36389	41.5
524.36597	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99871	0.7
55.01878	1.9
57.03441	2.6
59.01387	13.6
61.98836	16.7
69.03453	0.8
71.01387	32.5
71.63983	1.1
72.01737	0.7
72.99300	2.1
73.02953	13.8
75.00874	5.5
83.01378	3.8
85.02493	1.4
85.02957	14.7
87.00861	2.8
88.98785	1.7
89.02448	8.2
95.01379	3.5
97.02946	2.4
99.00883	5.0
99.92601	1.6
101.02444	19.9
102.02735	0.8
103.03996	1.1
111.00870	1.5
113.02453	13.7
115.04019	1.6
115.67730	0.8
116.92860	13.8
117.01968	0.9
119.03487	1.7
120.99628	0.9
122.06105	1.0
125.02412	4.1
137.02419	1.1
143.03497	2.9
149.04561	1.2
159.02966	3.4
161.04561	13.7
163.06097	2.5
174.01648	0.8
205.07343	0.9
212.10840	0.9
241.63243	0.7
255.11472	1.2
324.77353	0.9
331.17673	6.3
361.10431	2.3
420.96234	0.8
433.14572	0.7
463.21851	100.0
464.22214	9.5
524.16858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.6
59.01382	100.0
61.98833	60.3
71.00990	3.3
71.01383	63.0
71.63641	2.8
72.99310	6.0
73.02950	9.2
75.00868	2.3
82.37492	2.2
83.01381	5.1
83.05053	2.9
85.02951	9.5
87.00865	4.8
89.01903	5.4
89.02448	85.9
95.01329	2.7
97.06554	2.3
99.00887	2.8
101.02457	40.2
111.04517	3.2
113.02447	18.1
119.03525	14.1
121.06587	4.0
123.04472	5.8
125.02439	7.0
131.03508	24.4
135.08177	2.7
143.03470	5.6
149.04567	51.5
149.05914	4.3
161.04507	5.5
168.00647	3.8
173.09709	2.6
179.05606	10.1
187.75368	2.7
191.05573	6.6
191.10751	5.1
199.11119	3.3
201.09259	3.5
215.10744	4.0
217.12325	2.4
228.60587	2.6
331.21280	8.2
399.16898	2.7
405.80801	2.9
458.75357	2.4
463.25714	29.9
464.25485	3.4
479.24115	5.1
494.22595	2.8
505.21985	3.4
523.05994	4.2
523.23383	24.8
523.32544	9.1
524.23517	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	523.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70699	0.8
59.01382	100.0
60.01727	1.0
61.98827	2.5
65.79621	0.7
69.90090	4.3
78.95914	2.6
152.99559	1.2
206.09216	0.8
219.13956	1.1
227.25899	0.8
255.23303	13.3
269.17548	1.7
277.99854	0.8
524.33661	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	523.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57754	0.9
57.03447	9.6
58.00318	1.3
58.00583	5.8
59.01381	23.5
59.46093	1.1
60.51380	1.0
61.98853	6.2
69.03428	1.3
71.01380	20.6
71.63825	2.0
72.35812	1.2
81.03458	1.7
86.00112	6.8
87.00877	5.5
88.01672	4.5
90.80476	1.2
97.06606	3.0
99.04539	2.7
123.08180	3.4
125.09744	4.9
130.23486	1.1
135.08058	1.1
155.31375	1.1
165.12813	9.5
168.69791	1.1
175.11447	1.2
179.14426	4.9
181.15927	2.0
189.12894	5.2
191.14410	4.0
193.12276	1.8
195.17635	1.8
197.15492	18.2
201.12817	2.3
203.14279	1.4
207.13945	2.3
209.15472	7.8
211.17009	1.4
215.14395	1.3
219.13901	67.5
220.14252	3.9
221.15526	4.2
223.16870	5.4
229.36247	1.2
232.24797	1.1
233.15500	2.7
237.14949	63.4
238.15265	3.8
239.16536	13.4
251.16510	4.8
253.18062	14.9
256.19675	1.2
269.17575	100.0
270.17868	5.9
287.18625	6.8
313.16507	7.9
523.28870	2.0
523.36438	40.1
524.37085	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	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03461	1.0
58.00596	0.9
59.01379	20.5
68.07224	0.6
71.01380	18.9
71.01746	1.0
72.99331	1.9
73.02966	2.4
82.56107	0.6
83.01418	1.4
85.02943	5.0
87.00905	2.1
89.02440	10.5
101.02467	3.9
108.02274	0.9
109.02944	4.8
113.02450	1.7
119.05037	0.9
121.02917	3.6
122.03777	3.0
123.00973	0.8
123.04521	1.8
124.01673	1.8
125.02470	4.1
129.02022	0.7
129.03531	0.8
130.26106	0.7
136.01714	0.7
137.02446	15.6
138.03239	6.0
139.04036	3.1
147.04518	4.6
149.04573	0.9
149.06013	1.0
150.03185	0.7
151.04007	5.4
152.04762	3.5
152.32076	0.8
159.04578	1.0
160.05318	0.7
161.04620	1.4
161.06088	3.5
162.03259	1.9
163.04063	4.0
165.05583	9.5
170.02211	0.9
175.04030	1.0
176.04831	2.5
177.05566	8.1
178.06296	0.6
179.07146	2.5
180.04323	2.4
181.05031	9.5
188.04741	1.0
189.05589	2.4
190.06413	1.2
191.07164	2.0
192.07938	1.7
194.05858	2.5
195.06606	10.9
202.75661	0.7
206.05798	1.4
207.06535	3.3
208.07375	1.0
209.08174	2.0
221.08228	1.8
223.09770	0.9
285.11319	0.7
313.10980	3.3
315.12457	0.7
327.12433	0.8
328.13000	3.9
331.11896	4.6
331.17691	2.8
331.24133	0.6
341.13904	0.8
343.11710	4.2
343.15057	3.5
345.13400	2.6
346.13916	0.7
358.14230	5.7
359.14960	0.8
361.12964	7.6
362.13336	0.9
373.16605	9.5
374.17120	1.5
376.15225	19.0
377.15671	1.9
391.17627	100.0
392.17920	8.7
463.22049	3.1
505.19907	0.9
523.21808	81.7
524.22119	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	523.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19243	1.6
55.01861	4.2
57.03443	4.7
58.00592	2.9
59.01383	40.8
61.98832	33.2
63.99280	1.9
65.06153	2.4
66.89835	1.6
69.32735	4.6
69.33152	11.7
71.01385	43.3
73.02953	17.7
74.61064	1.8
75.00879	2.2
83.01394	8.8
85.02955	24.2
87.00877	4.9
88.98802	7.3
89.02446	19.6
95.01366	4.8
97.02969	1.9
99.00877	8.0
101.02447	46.6
108.02179	6.2
109.02948	6.2
111.00844	3.0
113.02439	15.9
119.03488	3.7
121.02930	6.0
125.02453	4.8
131.03519	5.0
135.04514	2.9
140.04506	2.0
140.80634	1.7
143.03415	3.0
149.04541	4.2
151.03999	2.0
152.01180	3.9
153.01747	3.6
159.02905	3.3
161.04524	10.7
161.05782	3.0
163.06100	2.4
166.06351	34.1
167.07039	3.3
170.14067	1.7
170.61563	1.8
179.07121	4.6
181.08719	49.2
185.06079	3.0
198.04437	1.8
229.05008	5.9
229.18002	4.0
314.18521	1.7
331.17706	30.6
332.17810	3.0
343.13950	100.0
344.14276	6.7
361.16370	2.4
391.23093	4.1
408.63458	1.9
463.21509	24.2
464.21799	3.7
523.13971	7.1
523.21729	59.7
523.27966	9.9
524.21759	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1771
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
50.47231	0.8
61.98819	2.0
69.91970	4.7
71.01356	1.1
78.95912	75.7
98.19957	1.8
98.99548	0.8
99.92592	20.0
100.93373	1.2
110.98531	12.1
115.92086	29.2
116.92088	1.3
116.92870	16.0
120.69981	0.9
138.83105	0.8
145.13933	0.8
150.98010	1.5
154.10008	0.9
155.95187	2.0
156.12723	1.0
164.90569	0.9
164.99544	2.3
178.88452	7.2
179.89223	37.6
180.90056	13.7
181.43452	1.0
181.90846	1.9
193.90782	45.4
194.87912	1.0
194.91597	22.9
196.89496	58.6
197.89484	2.1
210.91089	1.1
218.91640	1.2
235.91786	1.2
236.92554	2.5
248.92627	3.1
249.93373	3.5
255.23283	6.8
265.92682	1.0
266.93619	3.6
355.15930	0.9
371.15268	2.1
411.18454	6.0
475.15732	2.9
479.37482	1.0
505.16769	1.9
523.17725	100.0
523.36426	2.4
524.17932	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	523.2185
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.67865	0.4
54.91351	0.4
57.03439	0.7
59.01380	8.7
61.98833	29.9
69.56096	3.4
70.55758	0.5
71.01386	5.6
72.99287	0.7
73.02949	2.1
83.01373	0.6
85.02965	2.8
87.00868	0.8
89.02446	4.3
89.95414	0.4
93.03455	1.3
95.01363	0.5
99.00873	1.0
101.01748	0.7
101.02422	4.8
103.03980	0.7
109.02947	4.5
113.02435	2.6
119.03471	1.1
121.02956	13.1
122.03757	11.5
123.04478	1.7
124.01630	0.8
125.02418	0.7
129.03427	0.7
131.03514	1.9
134.03792	0.8
135.04527	1.6
136.05272	1.1
137.02441	2.4
143.03534	0.7
146.03734	0.6
147.04527	5.5
149.04561	2.2
149.06065	1.0
154.02747	1.1
155.10704	0.6
159.02937	0.6
161.04558	2.4
161.06097	2.1
162.06873	0.6
163.03999	0.7
163.06126	1.8
165.05576	21.8
166.05829	0.6
179.05653	0.5
179.07124	8.3
181.05037	0.8
185.94539	0.4
191.05566	0.9
191.07108	0.5
193.05046	0.6
199.09914	0.6
209.08218	0.7
223.09818	1.5
298.12143	0.9
313.14502	1.5
315.12338	2.0
316.12946	0.7
331.17834	2.6
346.14206	9.1
347.14514	1.1
361.16565	100.0
362.16888	9.5
377.18060	0.5
463.21704	4.1
523.27649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11444	0.8
55.01868	2.4
57.03440	1.3
58.00595	0.7
59.01380	24.5
61.98815	2.6
66.70789	0.6
70.23112	2.4
71.01380	17.6
72.59986	0.8
72.99305	1.1
73.02953	4.2
73.21614	0.7
83.01396	3.2
85.02948	8.3
87.00881	1.8
88.98806	1.9
89.02448	9.5
95.01391	1.2
98.19862	0.9
99.00874	1.8
101.02442	12.8
108.02157	0.9
109.02971	5.1
111.00877	0.8
113.02429	5.0
119.03490	3.0
119.04876	0.9
121.02956	11.2
122.03743	11.6
123.04501	2.3
129.03482	1.3
131.03526	1.3
134.03734	1.3
135.04527	1.7
136.05252	1.3
137.02434	1.7
144.49300	0.8
147.04524	7.6
149.06050	0.8
154.02724	1.0
161.04585	1.6
161.06044	2.8
162.06754	0.8
165.05568	24.8
166.74585	0.8
173.06067	0.8
175.07620	1.1
179.07146	7.2
181.97704	0.8
191.07182	1.9
223.09651	0.9
275.08337	0.8
280.99521	0.8
298.12292	0.8
301.10620	1.0
313.14395	2.0
315.12384	2.1
328.13046	2.5
329.13983	1.3
343.15527	6.1
346.14209	10.1
347.14960	2.0
361.16559	90.3
362.16946	7.7
373.42343	0.7
414.38831	0.7
433.07968	0.9
441.42685	0.7
523.21826	100.0
524.22131	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	522.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12149	0.4
58.22398	0.4
59.01381	6.5
61.98832	100.0
63.99261	0.7
71.01395	3.4
71.65270	0.6
72.01727	0.7
72.72266	0.4
73.02593	0.4
73.02940	2.0
75.00877	0.6
78.77580	0.4
80.74121	0.4
85.02966	1.4
87.00903	0.5
89.02441	1.6
94.58384	0.4
101.02437	3.3
102.02793	0.6
103.03979	0.6
113.02447	1.0
119.03516	0.7
161.04601	1.0
163.06142	2.7
164.06512	0.9
224.84529	0.4
240.40201	0.4
315.18130	0.7
316.18286	0.9
462.24173	4.3
522.33716	0.7
530.14990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63659	0.7
57.03452	1.2
59.01380	5.3
61.98834	100.0
66.85903	0.7
70.53603	0.7
99.04552	0.8
135.07256	0.7
141.75085	0.7
160.94577	0.8
179.07280	0.8
198.35890	0.7
229.12291	1.0
231.10310	1.2
269.17584	1.4
287.18677	0.7
294.21921	0.8
297.24472	1.4
479.24695	1.5
483.44839	0.7
498.72388	0.8
522.28406	0.9
522.35254	2.2
523.23737	2.1
523.36786	1.4
530.61652	0.7
537.50702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98832	100.0
71.01388	2.0
73.02950	0.5
85.02955	0.6
89.02448	2.0
92.74374	0.2
93.03468	0.2
101.02440	1.3
113.02457	0.7
131.03523	0.5
137.02463	0.6
149.04568	0.9
152.03502	0.6
153.03886	0.2
161.04593	0.4
223.06136	0.2
226.74651	0.2
229.95992	0.2
331.17700	0.7
361.16589	0.7
463.21783	1.9
464.21967	0.2
523.20886	0.5
523.27686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01385	2.3
61.98837	100.0
63.68982	0.3
69.42472	1.8
71.01394	2.1
73.02967	0.6
75.00893	0.6
77.45871	0.3
83.01397	0.4
84.64928	0.2
85.02966	1.2
87.00912	0.3
88.98818	0.5
89.02459	0.9
93.03496	0.4
95.01415	0.5
99.00888	0.4
101.02457	1.6
101.76797	0.2
108.00998	0.2
108.02187	4.4
109.03053	2.1
110.03346	0.4
113.02459	1.0
125.02451	0.5
152.01166	3.4
153.01884	1.6
154.02373	0.5
161.04680	0.3
167.10823	0.6
287.22406	1.1
359.28302	0.3
376.24594	0.3
431.26608	1.4
449.27533	1.9
462.24661	0.7
478.18033	4.1
479.18527	0.4
511.00650	0.3
521.33179	0.8
522.17084	3.4
522.33795	1.1
523.17224	0.4
523.34967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88935	0.3
59.01375	2.8
61.98833	100.0
71.01390	2.0
71.63949	0.5
71.81371	0.3
73.02963	0.7
75.00890	0.3
83.01410	0.4
85.02948	0.9
86.56424	0.2
87.00922	0.4
89.02456	0.7
101.02441	1.4
102.03791	0.3
102.21476	0.3
108.02169	1.3
113.02479	0.7
118.64394	0.3
125.02464	0.3
136.11902	0.3
137.02551	0.3
143.75664	0.3
149.02528	0.3
152.01186	1.2
153.01855	0.6
165.01959	0.3
168.00723	0.4
287.22446	0.8
316.18536	0.3
360.28210	0.3
387.07645	0.3
431.26828	1.6
449.27512	1.5
462.24435	1.7
478.17944	0.5
522.17212	1.2
522.34009	0.5
523.17896	0.4
523.35486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98831	100.0
69.33082	1.6
69.33508	0.8
71.01398	1.7
72.99313	0.4
73.02962	0.7
75.00875	1.2
76.23603	0.2
83.01362	0.3
85.02969	0.5
89.02438	0.6
93.03460	15.0
94.03793	4.6
94.04365	0.3
95.01437	0.4
101.02447	0.9
108.02188	2.1
109.02979	1.6
113.02453	0.5
123.04527	0.5
125.02515	0.3
135.04529	1.1
136.04893	0.4
137.02499	0.4
152.01151	2.1
153.01947	1.0
153.05565	0.7
155.10889	0.3
169.06592	1.9
170.06898	1.3
181.12305	0.3
193.49658	0.3
213.05571	9.2
213.07578	0.5
214.03865	0.6
214.05904	9.0
214.07887	0.5
215.06316	0.5
287.22183	0.4
297.09729	0.3
315.10880	0.9
316.11273	0.5
317.83286	0.2
512.48651	0.3
522.33801	0.5
523.17938	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	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.4
61.98824	11.4
69.24179	2.2
70.07478	4.5
70.07868	6.2
71.01396	5.5
73.02924	2.1
79.60155	2.2
85.02949	3.1
89.02488	3.9
91.06892	2.1
93.10233	2.1
101.02464	7.7
109.02950	2.1
113.02439	2.2
152.15761	2.2
205.12344	80.7
205.14275	4.7
206.12779	3.1
249.11314	100.0
250.11728	6.6
329.19830	3.2
359.28122	5.0
400.51700	2.1
415.84903	2.5
461.24124	7.8
521.21045	3.8
521.33350	23.0
522.33929	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03452	1.1
58.00583	0.5
59.01381	11.5
60.01717	0.2
61.98829	3.0
69.03461	0.2
69.30448	1.6
69.30855	0.4
71.01383	9.5
72.99312	1.2
73.02952	1.8
74.72974	0.3
77.22637	0.2
83.01396	1.3
85.02960	3.5
87.00867	1.2
89.02445	3.4
95.01377	1.0
99.00870	0.7
101.02447	5.9
109.02940	0.2
111.00890	0.2
113.02450	2.7
119.03511	1.2
123.04475	0.2
125.02415	0.6
126.83311	0.2
127.11194	0.3
133.03004	0.3
134.03751	0.4
141.12836	0.3
145.81261	0.2
149.06027	0.2
153.69682	0.2
161.04585	0.2
165.05661	0.2
165.30835	0.2
178.02609	0.2
185.11736	0.4
203.66692	0.2
211.13359	0.3
211.35025	0.2
212.75493	0.2
224.52156	0.2
266.20877	0.2
311.25940	0.3
313.23828	2.8
314.24088	0.3
327.16162	0.3
329.19473	0.3
341.26935	3.6
342.27505	0.2
345.17017	0.5
357.26413	0.3
359.28009	18.9
360.28415	1.6
401.29214	0.2
461.23965	0.3
503.32303	2.1
521.33289	100.0
522.33618	11.9
523.28497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2597
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01889	2.9
57.03447	3.1
58.00586	1.5
59.01381	28.2
61.98833	3.4
68.99833	0.4
69.03455	1.4
69.38368	0.4
69.38695	3.7
71.01385	53.0
72.99293	2.5
73.02947	21.2
75.00887	2.5
77.42999	0.4
81.03470	0.9
83.01386	7.0
85.02955	22.8
86.00097	0.6
87.00876	3.8
88.98817	1.0
89.02445	17.7
93.03497	0.5
95.01393	3.9
97.02960	3.1
99.00887	10.5
99.04540	0.8
101.02447	36.8
102.02808	0.4
109.02947	3.0
111.00892	4.8
113.02447	18.3
115.04016	2.7
119.03492	3.3
123.04541	0.7
125.02444	5.7
129.01971	0.7
131.03522	3.4
137.02437	1.1
143.03500	2.8
149.04553	4.0
153.09264	0.7
155.10770	1.3
159.02994	3.0
159.04503	1.2
161.04558	21.5
162.04927	0.4
163.06111	0.8
173.06084	1.1
179.05641	0.5
189.05559	1.0
191.05614	1.9
191.07146	0.6
200.63512	0.4
203.07112	0.5
205.03506	0.7
227.16527	3.0
232.52141	0.5
233.06717	3.3
241.04999	2.4
253.72565	0.4
255.06606	1.6
289.07065	0.6
293.08688	4.0
299.09274	1.4
313.10699	2.1
343.11655	0.5
344.12662	5.0
345.13095	0.5
359.14993	20.1
360.15393	1.7
387.84027	0.4
389.21805	23.5
390.22046	2.5
395.50266	0.4
521.26038	100.0
522.26355	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	521.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03446	1.6
58.00580	1.1
59.01385	29.5
61.98836	18.6
69.50098	1.3
69.50506	2.5
71.01386	29.4
72.99312	2.3
73.02953	14.5
75.00875	1.5
81.03423	0.8
83.01395	8.5
85.02427	1.0
85.02956	15.9
87.00875	1.1
88.98804	1.1
89.02446	5.2
95.01387	1.6
97.02945	1.9
98.19871	1.2
99.00884	5.6
101.02445	27.9
101.70369	0.5
102.02716	0.7
103.04019	0.9
108.02184	1.0
109.02959	1.5
113.02451	12.4
119.03480	0.9
121.02960	0.7
125.02442	2.9
131.03510	0.7
143.03490	2.0
150.03233	0.7
152.01132	0.7
153.01920	2.0
159.03021	3.8
161.04568	17.7
162.04871	0.6
163.06134	1.3
167.10744	0.6
229.07256	0.6
231.38747	0.6
247.08365	0.5
279.64069	0.8
315.18121	33.7
316.18442	1.7
389.22174	0.8
461.23923	100.0
462.24115	10.0
484.23907	0.6
521.17279	1.3
521.26355	1.9
521.32806	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.7
57.03444	3.3
58.00590	2.8
59.01387	55.4
61.98829	1.9
69.43426	4.6
69.43854	4.9
71.01388	67.8
72.99318	2.2
73.02949	20.2
75.00860	1.8
78.07559	1.1
83.01395	6.8
83.01807	1.1
84.96539	1.1
85.02962	24.8
87.00871	2.3
89.02451	37.2
95.01408	3.2
97.02947	2.4
97.03519	1.4
99.00887	9.8
101.02449	34.1
101.17875	1.2
103.87976	1.2
111.00848	1.3
113.02460	19.2
115.04009	2.1
119.03504	2.6
121.02966	1.5
123.00900	1.4
124.01629	2.5
125.02451	5.5
129.01917	1.7
131.03499	3.5
139.03983	4.8
143.03539	1.8
147.69576	1.2
149.04543	8.4
153.05586	2.3
155.10771	7.5
159.02991	4.6
159.04401	1.3
161.04573	18.4
172.05330	2.6
173.06047	1.9
187.07631	3.7
189.05521	1.3
191.05566	1.7
191.07141	1.8
219.29651	1.2
227.16533	8.4
233.06673	2.5
253.05066	2.1
256.03818	2.9
257.04468	1.4
268.03964	1.5
271.06027	4.3
281.04709	1.3
283.06027	4.1
283.76169	1.0
293.08731	3.5
295.06177	2.1
296.06842	2.1
297.07501	1.4
298.08423	2.9
310.08582	1.4
311.09235	3.7
325.10867	6.8
326.07870	4.3
326.11771	3.0
327.08511	1.9
329.10239	1.4
329.13889	1.7
339.12183	1.8
341.10254	15.7
342.10660	1.6
343.11954	5.9
343.15292	1.1
344.08994	2.6
356.12817	6.3
357.13333	2.0
359.11331	19.6
360.11835	1.6
371.15005	13.2
372.15366	1.3
374.13696	25.8
375.14105	1.6
389.16000	81.4
389.21683	22.8
390.16315	7.5
390.21143	1.8
394.51169	1.2
521.20007	72.3
521.26093	100.0
522.20032	8.5
522.27234	9.5
522.38458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.04195	0.8
58.00578	1.5
59.01386	34.2
59.35976	0.9
61.98829	1.7
62.50029	0.9
69.28068	5.7
69.28495	3.3
71.01389	27.2
72.18214	0.8
72.99307	2.9
73.02976	1.7
73.41611	0.9
81.56476	0.8
85.02947	6.1
88.27801	0.8
89.02454	18.0
94.37539	0.9
101.02459	4.2
113.02467	1.7
121.02950	2.6
123.04510	1.0
124.01682	2.1
124.21400	0.8
125.02429	2.1
131.03452	1.1
138.03235	2.1
138.31717	0.9
139.04018	5.9
143.80127	1.1
144.05730	1.0
149.04555	1.9
153.05527	2.7
159.04530	1.5
172.05325	3.8
173.06119	4.3
187.07574	4.1
189.05489	1.7
190.06412	1.0
191.07181	1.9
233.04427	1.2
252.65739	0.9
253.05042	2.5
256.03763	2.9
257.04453	1.4
268.03680	0.9
271.06168	3.4
278.05804	1.4
279.06531	2.9
283.06119	2.7
293.08603	1.6
295.06119	4.3
296.07013	1.2
297.07495	1.7
298.08353	3.1
309.07712	2.2
310.08496	2.1
311.09250	3.8
312.10168	1.0
313.11041	1.0
316.10123	1.0
325.10764	4.8
326.07877	5.3
326.11475	2.4
327.08646	1.3
328.09378	2.5
329.10333	2.9
335.84485	0.9
341.10287	14.4
341.14020	2.0
342.10831	2.2
343.11871	8.4
344.09094	2.4
355.12061	1.4
356.12631	7.1
359.11261	18.4
371.14969	15.6
373.12991	1.0
374.13712	28.9
375.14127	3.7
389.16077	90.7
390.16364	7.7
491.15607	1.4
506.17908	2.1
521.20276	100.0
522.20526	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	521.2027
Annotation	(+)-Isolarisiresinol 3a-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	2.1
59.01381	21.7
69.39259	5.5
69.39680	7.7
71.01389	16.5
72.99306	2.0
73.02958	3.7
83.01366	3.5
85.02956	5.7
85.39813	1.7
87.00874	2.0
89.02446	4.7
99.00881	1.9
99.35173	1.7
101.02449	9.9
113.02410	2.6
121.02958	4.0
145.02983	2.2
159.04530	3.9
238.06215	1.6
255.06622	3.0
267.06558	2.0
268.07547	3.3
269.08133	4.8
281.08267	10.0
282.08856	5.8
283.09711	5.6
293.08084	3.1
295.09671	3.0
296.10312	2.0
299.09198	3.7
311.09113	4.4
312.09979	2.0
314.08176	2.6
314.11649	8.2
315.12323	5.2
326.11496	11.5
327.12372	7.1
329.14014	9.5
341.13882	11.2
355.11780	5.1
385.15305	2.0
445.14490	1.6
473.14499	3.8
476.16812	4.9
488.16879	6.8
489.17508	1.8
491.19226	97.3
492.19366	11.0
503.19235	100.0
504.19476	15.2
521.20001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.39648	0.7
55.01875	1.7
57.03437	1.3
58.00581	2.2
59.01379	27.4
60.99294	1.5
61.98819	2.4
63.53809	0.7
69.36243	7.3
71.01382	21.4
72.99305	1.4
73.02944	2.8
83.01377	2.3
85.02952	7.1
87.00858	1.2
88.98807	10.4
89.02445	12.1
95.01375	2.6
99.00879	2.3
101.02438	11.7
109.02959	4.5
111.00858	0.8
113.02442	5.1
119.03495	4.2
125.02457	1.0
131.03500	1.1
136.92293	0.7
152.17856	0.8
159.03111	0.6
159.04518	3.1
161.04544	1.9
172.05290	1.2
173.06053	2.2
177.96178	0.7
187.07631	1.1
189.05600	2.3
191.07182	1.0
203.07112	1.2
241.04996	5.2
255.06557	2.0
267.06671	1.2
268.07166	0.8
269.08127	1.4
271.05945	0.8
278.21490	0.8
279.06720	1.1
281.08234	1.4
283.06110	2.4
295.09720	1.1
299.09372	1.7
308.87143	0.8
311.05579	4.4
311.09201	4.1
313.10858	6.0
325.10886	1.4
326.07855	1.3
326.11688	2.7
329.10287	1.7
341.10553	1.4
341.13956	4.3
343.11722	2.1
344.08606	1.0
344.12665	16.8
345.12946	1.3
356.13025	1.0
358.12418	0.9
359.15012	42.4
360.15372	4.3
371.15015	1.6
374.13837	4.2
389.16006	14.8
390.16467	1.1
408.75729	0.9
431.09766	4.5
461.20297	3.6
506.17334	1.1
521.20264	100.0
522.20563	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
56.88291	0.3
59.01375	1.7
61.98827	0.7
69.87878	1.6
71.01380	3.2
71.46967	0.3
73.02951	0.6
77.26760	0.3
83.01373	0.3
83.68282	0.3
85.02945	1.1
85.66177	0.3
89.02466	1.5
98.19949	0.5
99.00886	0.5
101.02467	1.7
108.02174	0.9
109.02957	14.0
111.00871	1.1
113.02448	0.9
123.04510	0.8
124.01690	0.4
125.02443	0.9
131.03487	0.4
131.07121	0.6
137.02425	1.1
149.02341	0.3
149.04555	0.6
158.03700	0.4
159.03181	0.5
159.04515	5.6
161.04546	1.2
173.06088	4.2
187.07681	0.4
189.05568	4.7
189.26114	0.3
190.06255	0.5
191.07120	2.4
201.05528	0.5
203.07181	2.1
205.08655	0.6
213.05588	0.7
225.05469	0.6
240.04268	2.1
241.05070	10.2
242.05417	0.5
255.06639	7.6
256.07156	0.9
265.08771	0.5
267.06644	0.9
269.08310	1.7
271.09756	0.4
281.08118	0.8
283.09808	0.5
295.09634	0.7
298.08499	1.0
299.09250	8.7
300.09674	0.4
313.10806	10.5
314.11234	1.1
326.11542	0.4
327.12448	0.7
329.10370	4.9
330.10822	0.5
343.11859	3.1
344.12646	33.2
345.13052	2.9
359.14996	100.0
360.15305	9.4
431.14474	0.5
461.20508	0.7
521.19739	1.9
521.26782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03445	4.5
58.00600	3.2
59.01379	58.4
60.25830	1.8
61.98833	27.4
67.52391	1.7
67.91290	1.8
69.37022	19.8
71.01389	68.2
71.18601	1.6
72.99290	6.4
73.02944	16.2
74.99115	8.3
75.00889	4.1
83.01417	4.7
85.02947	44.4
87.00871	6.9
87.15231	2.1
88.98828	2.4
89.02445	55.0
90.71279	2.3
95.01382	16.7
97.02990	2.9
99.00853	4.5
101.02445	39.4
109.02959	3.2
111.00887	6.8
113.02460	100.0
119.03509	18.8
120.47945	2.5
125.02456	7.3
131.03510	6.2
136.99155	4.9
137.02441	10.5
138.05621	7.0
138.66838	1.8
143.03514	7.9
146.03745	6.6
149.04477	2.1
151.04034	5.6
151.88031	1.9
153.05513	2.6
159.31113	2.3
161.04562	38.7
161.05922	2.3
164.04797	4.3
167.03555	3.4
175.02478	2.3
179.05605	17.3
179.07156	15.7
182.05894	5.0
197.08186	4.5
202.67776	2.1
221.06557	3.2
222.17612	2.0
239.09239	4.7
317.71356	2.6
341.08517	2.6
359.13623	11.3
383.11807	4.6
521.19061	28.2
522.19208	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	521.1874
Annotation	Asystasioside A
Peak:m/z	Relative Intensity
57.03439	8.5
59.01383	100.0
61.98832	62.3
63.29003	2.4
71.01387	80.1
71.62067	3.4
72.99303	10.0
73.02947	38.8
74.99084	7.5
75.00861	4.6
83.01392	9.6
85.02953	35.1
87.00874	11.5
89.02445	91.4
95.01425	5.0
96.96963	3.8
97.02977	5.9
99.00868	6.0
101.02455	71.2
101.13203	3.7
109.02941	4.7
111.00865	9.0
113.02446	39.4
114.93413	4.8
115.00417	3.6
115.03993	9.6
116.92874	4.3
119.03500	35.1
123.04508	4.7
125.02419	13.3
131.03503	10.0
136.99142	4.7
137.02419	7.6
143.03506	7.4
149.02475	3.7
149.04559	8.6
151.00356	3.2
151.03987	5.6
157.51495	3.1
161.02444	6.8
161.04596	24.8
164.04736	5.8
179.03448	2.9
179.04190	3.8
179.05594	33.2
179.07162	11.5
182.05869	5.0
197.08160	10.6
221.06577	11.6
239.09250	9.4
251.09230	5.4
269.10333	5.1
299.11411	21.1
314.73965	3.0
323.09860	4.4
328.73874	3.4
344.12839	3.8
359.13910	22.8
494.08737	3.0
521.11517	6.4
521.18726	64.3
522.19489	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	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38478	0.2
55.66397	0.2
57.03449	0.2
59.01379	3.8
61.98830	28.3
63.27613	0.2
65.03974	0.2
69.99773	0.9
71.01387	2.9
72.99309	0.6
73.02930	1.0
78.95908	0.2
81.03431	0.2
83.01371	0.3
85.02950	1.0
87.00886	0.3
89.02431	1.6
93.03457	100.0
94.03786	2.2
95.01395	0.3
95.05066	0.2
99.00900	0.2
100.10501	0.2
101.02442	2.2
103.04015	0.2
107.05018	0.3
108.02166	1.1
109.02955	1.6
113.02431	1.1
119.03535	0.3
121.02929	0.3
123.04511	1.6
125.02457	0.4
134.03740	0.5
135.04529	3.6
135.11858	0.2
137.02422	0.3
138.03317	0.2
143.03477	0.3
152.01189	1.3
153.01958	0.9
153.05574	3.3
154.66405	0.2
161.04521	0.5
161.09697	0.3
167.10796	0.4
169.06587	17.4
170.06929	0.8
177.01956	0.2
178.02666	0.3
179.03510	0.2
179.10760	0.7
190.96867	0.2
193.05045	0.6
213.05562	91.4
214.05911	5.8
215.03000	0.2
293.88705	0.2
294.54785	0.2
297.09802	1.3
315.07065	0.4
315.10794	5.2
315.18121	0.5
316.11276	0.3
345.16800	0.3
389.16415	0.2
456.47327	0.2
461.23590	1.6
477.21103	1.1
503.20770	0.2
521.16553	0.9
521.33307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01375	7.6
60.99317	1.1
61.98830	12.4
63.93218	0.6
64.67739	0.8
71.01394	6.4
71.61775	1.1
72.99312	1.0
73.02948	2.6
75.00873	1.4
75.63102	0.6
78.68564	0.7
79.12172	0.7
83.01384	0.9
84.59740	0.7
85.02934	4.0
87.00908	0.8
88.98807	6.6
89.02462	5.7
95.01372	1.2
96.96052	0.7
99.00865	1.2
99.92593	9.9
101.02466	4.0
109.02970	1.8
111.00885	1.6
113.02450	7.7
116.92863	100.0
117.01934	4.1
117.92884	5.1
119.03495	1.8
120.87801	0.8
120.99728	1.2
123.04514	1.3
125.02451	2.6
131.03511	0.8
137.02486	1.1
143.03546	0.9
149.02432	1.0
149.04538	1.3
150.03119	0.8
151.03970	1.0
161.02429	1.1
161.04573	1.6
168.00575	0.7
179.05678	1.5
179.07118	1.5
225.07764	0.7
241.05098	1.3
253.05261	0.9
255.06647	0.8
313.10825	0.9
318.54907	0.7
344.12582	2.4
359.15067	8.7
414.85162	0.8
431.14795	1.2
521.19073	3.3
521.25494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68508	0.5
59.01385	1.8
60.99312	14.0
61.97587	0.5
61.98819	0.9
71.01378	1.7
71.63324	1.0
79.89478	0.5
88.98811	100.0
89.02435	1.3
89.99168	0.7
91.29321	0.5
101.02450	1.0
161.04568	0.7
166.51041	0.5
187.05159	0.6
234.68419	0.5
255.02892	0.6
284.03284	0.6
285.04150	0.9
314.02243	0.6
431.09824	0.8
521.26001	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	521.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48135	0.5
57.03449	1.1
57.25718	0.6
59.01133	0.6
59.01386	7.0
61.98549	0.5
61.98830	3.5
63.02154	0.5
69.03461	1.2
71.01387	13.2
71.14890	0.7
72.99283	0.8
73.02952	4.1
74.99084	0.5
75.00809	0.6
81.03473	0.9
83.01398	2.0
85.02954	6.3
86.95046	0.7
87.00871	1.5
88.98808	0.7
89.02455	4.8
93.03452	1.4
95.01390	2.7
95.63905	0.6
97.02967	1.3
99.00864	2.2
101.02452	9.8
107.05003	0.7
108.02181	57.8
109.02975	23.7
113.02442	4.0
119.01385	2.0
119.03489	0.7
121.02940	1.6
123.00892	1.0
123.04515	1.3
125.02448	1.9
131.03485	0.8
135.00893	2.1
135.04530	1.2
137.02443	0.5
138.03206	0.9
139.64928	0.6
147.00882	1.7
148.01665	0.7
149.02466	4.6
149.04536	1.3
150.03198	2.5
151.04066	1.9
152.01163	66.0
153.01950	18.6
153.05585	2.1
159.02974	1.1
161.02419	2.5
161.04521	4.4
162.09259	0.6
163.03999	2.0
164.04820	3.9
165.01819	1.0
166.02698	0.7
167.03523	1.3
174.17093	0.6
175.00394	10.0
176.01137	11.5
176.02531	1.0
181.05099	1.0
190.02740	24.7
191.03513	16.9
192.03990	0.7
193.01341	0.7
194.02141	0.7
205.05060	18.3
206.05414	0.8
207.06531	0.6
208.03706	0.8
209.04536	2.4
223.06125	3.1
233.06544	0.6
243.03008	1.0
245.89909	0.6
269.10568	0.7
273.07520	0.6
285.03867	0.7
315.07211	19.1
353.08722	5.3
367.10416	2.9
389.21600	3.5
461.20468	0.9
477.13763	2.8
489.10455	1.5
521.13031	100.0
521.25183	17.1
522.13385	11.1
522.26007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03455	4.2
58.00587	0.5
59.01382	15.5
60.01722	0.7
60.99318	0.5
61.98835	100.0
62.21106	0.4
69.33649	3.8
71.01389	10.4
72.01755	0.5
72.99326	1.0
73.02951	2.9
75.00900	0.5
83.01401	1.1
84.61731	0.4
85.02972	3.2
86.03339	0.5
87.00893	1.2
87.04536	0.4
88.98840	2.4
89.02455	4.7
90.02762	0.5
93.03490	0.4
94.03938	0.4
95.01373	0.9
99.00900	1.1
99.04520	3.2
100.04877	0.9
101.02454	7.6
101.03074	0.5
102.02780	1.0
103.04037	0.5
108.02176	0.4
109.02992	0.7
113.02453	3.1
119.03523	1.7
125.02460	3.1
126.02778	0.7
131.03499	0.8
137.02487	0.9
143.03523	1.1
149.06181	0.6
151.04005	0.6
161.02496	0.5
161.04593	1.3
163.06155	1.5
164.06468	0.4
177.05573	4.9
179.05586	0.6
189.04095	0.4
205.07199	0.5
238.19733	0.4
359.28018	0.9
376.24268	1.1
389.21768	1.1
460.22134	1.0
485.16718	0.8
520.12299	0.6
520.31671	1.4
521.34381	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	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05706	0.3
57.03443	0.3
59.01384	2.0
61.42481	0.3
61.98836	2.0
68.01446	0.3
71.64248	0.4
78.95908	47.1
92.88602	0.3
96.96970	5.1
150.98044	1.7
152.99591	100.0
153.99933	1.2
168.52956	0.3
171.00609	3.6
221.89449	0.3
224.33325	0.3
226.90756	0.3
279.23349	1.3
400.02237	0.2
401.64349	0.3
433.23593	24.0
434.23950	2.5
469.10056	0.3
520.26849	4.7
520.34143	0.5
521.27240	0.4
521.34894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03455	4.2
58.00587	0.5
59.01382	15.5
60.01722	0.7
60.99318	0.5
61.98835	100.0
62.21106	0.4
69.33649	3.8
71.01389	10.4
72.01755	0.5
72.99326	1.0
73.02951	2.9
75.00900	0.5
83.01401	1.1
84.61731	0.4
85.02972	3.2
86.03339	0.5
87.00893	1.2
87.04536	0.4
88.98840	2.4
89.02455	4.7
90.02762	0.5
93.03490	0.4
94.03938	0.4
95.01373	0.9
99.00900	1.1
99.04520	3.2
100.04877	0.9
101.02454	7.6
101.03074	0.5
102.02780	1.0
103.04037	0.5
108.02176	0.4
109.02992	0.7
113.02453	3.1
119.03523	1.7
125.02460	3.1
126.02778	0.7
131.03499	0.8
137.02487	0.9
143.03523	1.1
149.06181	0.6
151.04005	0.6
161.02496	0.5
161.04593	1.3
163.06155	1.5
164.06468	0.4
177.05573	4.9
179.05586	0.6
189.04095	0.4
205.07199	0.5
238.19733	0.4
359.28018	0.9
376.24268	1.1
389.21768	1.1
460.22134	1.0
485.16718	0.8
520.12299	0.6
520.31671	1.4
521.34381	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	520.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10097	0.4
55.01886	1.4
57.03450	1.2
58.00601	0.5
59.01384	23.9
60.01723	0.6
60.99302	0.5
61.98833	100.0
69.03474	0.7
69.34730	3.1
69.35133	0.6
71.01386	23.5
72.01727	0.8
72.99322	2.2
73.02949	9.7
75.00880	1.0
80.20024	0.4
83.01396	5.9
85.02959	11.5
86.00112	0.5
87.00880	1.4
89.02444	6.5
95.01388	1.2
97.02958	1.1
99.00890	4.3
101.02446	21.3
102.02763	0.5
103.04032	1.0
109.02927	1.0
111.00884	0.5
113.02448	9.4
119.03513	1.8
123.04553	0.5
125.02435	2.2
129.01947	1.0
131.03552	0.7
137.02478	0.6
143.03535	1.5
145.05144	0.4
149.04543	2.0
153.01985	0.6
155.14870	0.4
159.03040	2.2
161.04572	12.1
163.06142	1.1
165.01942	0.5
165.09253	2.4
166.09592	1.0
166.52196	0.4
167.10797	0.6
212.91013	0.5
293.08853	0.5
294.09277	1.1
304.73059	0.5
314.16977	0.5
315.18115	22.7
359.28201	0.5
398.94052	0.5
409.68735	0.4
460.22675	1.2
461.23929	75.7
495.44580	0.4
519.31854	0.6
520.24768	0.6
520.31903	1.4
521.25885	2.2
521.33221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3178
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
52.76709	0.4
55.01886	0.6
57.03454	1.1
58.00601	0.8
59.01385	15.4
61.98811	1.3
70.95350	1.0
70.95708	0.6
71.01392	8.7
72.99297	0.7
73.02941	1.7
83.01408	1.6
85.02972	3.2
87.00908	0.4
89.02456	4.2
95.01372	0.8
99.00885	0.9
101.02460	5.9
108.02232	0.6
108.49200	0.4
111.00824	0.6
113.02444	3.1
119.03479	1.2
125.02427	0.6
134.06219	0.4
176.64980	0.4
185.11839	1.7
297.24356	0.8
309.24402	1.7
324.85110	0.5
327.25345	4.4
339.25439	9.8
340.25821	0.9
357.22040	1.0
357.26483	18.1
358.26779	1.4
501.00223	0.5
501.30457	1.0
519.31763	100.0
520.32117	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	520.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
60.36586	0.3
64.99097	0.3
71.01385	2.3
73.02946	0.4
83.01408	0.5
85.02940	0.8
89.02459	1.4
98.20596	0.9
101.02458	1.2
109.02959	0.8
119.03532	0.5
122.03748	8.4
135.11188	0.3
152.03534	100.0
153.03899	3.2
271.16330	0.3
299.09848	0.4
313.10803	0.5
318.44620	0.3
344.12723	1.5
359.14954	4.0
370.08633	0.3
372.96011	0.3
497.13351	0.3
520.24573	0.7
521.20233	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	520.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70852	0.4
55.01881	0.4
57.03455	0.9
58.00584	0.4
59.01383	5.5
61.98832	100.0
69.43169	3.5
70.25364	0.4
71.01385	5.0
72.99319	0.5
73.02951	1.2
73.97760	0.4
74.99094	0.5
78.95918	0.6
81.03452	0.4
83.01391	0.8
83.05015	0.6
85.02981	1.8
87.00906	0.6
88.98816	0.8
89.02441	3.6
93.03474	0.6
94.46101	0.4
99.04523	0.8
101.02449	2.9
108.02191	0.8
109.02939	0.8
113.02448	1.9
119.03534	0.8
121.02946	0.6
125.02480	0.9
137.02431	0.7
149.04529	0.5
149.06136	1.2
151.03995	2.3
152.01157	1.6
153.01978	0.5
160.03996	0.5
161.04582	1.1
164.53091	0.4
166.05046	1.1
179.07219	0.4
181.49324	0.4
191.03502	0.7
191.84726	0.4
205.05067	0.4
216.35832	0.4
231.04836	0.4
293.08853	0.5
299.09558	0.4
314.11792	0.7
326.11728	0.8
341.13849	0.9
357.13425	0.4
358.13800	0.8
375.23779	0.9
389.21716	0.4
427.03027	0.4
488.16501	0.4
491.19144	3.9
503.19266	3.2
520.21729	0.9
521.12769	2.3
521.25446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02805	0.4
55.01860	0.8
57.03454	1.0
57.44926	0.4
58.00590	0.7
58.09137	0.3
59.01378	9.7
61.98825	2.6
70.39033	0.4
71.01384	8.0
71.05032	0.4
72.99300	0.4
73.02949	2.4
73.03760	0.4
74.47051	0.3
80.91667	0.6
81.03438	0.4
83.01387	1.5
85.02960	3.7
87.00880	0.5
89.02443	2.9
95.01362	0.6
99.00890	1.1
101.02440	5.1
113.02479	2.0
119.03513	0.6
130.13892	0.4
185.11862	2.3
297.24350	0.6
309.24393	1.1
311.26044	0.9
321.24411	0.5
323.25748	0.9
325.23819	0.8
327.25406	9.8
328.25604	0.7
339.25363	8.0
340.25943	0.7
341.26999	5.3
355.24792	0.8
357.26462	20.0
358.26782	1.7
489.30795	1.1
501.30582	1.0
501.37326	0.4
519.31732	100.0
520.32098	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	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
57.03440	4.5
58.00604	2.9
59.01382	100.0
61.98838	19.8
69.03486	2.6
69.42161	12.7
70.20118	1.7
71.01389	55.4
72.99296	5.5
73.02950	30.8
83.01395	13.6
85.02959	24.4
87.00871	7.8
87.04519	2.1
89.02457	31.4
94.22620	1.7
95.01376	2.3
97.02956	2.6
98.19807	2.8
99.00893	6.4
101.02450	67.9
103.04014	17.8
113.02463	19.3
115.02328	1.4
115.03994	4.9
119.03495	11.4
125.02473	8.2
127.03996	2.6
131.03493	8.4
143.03490	10.5
145.05022	4.2
148.01736	1.6
149.02429	4.2
149.04581	4.1
159.02954	2.0
161.04594	13.4
163.06136	52.5
165.09210	10.7
177.01939	3.3
191.05617	1.8
205.07178	19.7
215.90028	1.3
243.43344	1.4
265.09253	4.4
293.08847	4.7
309.95032	1.5
313.16565	40.4
314.17099	1.9
459.22415	72.1
460.22766	5.3
519.24622	4.7
519.31586	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.2
57.03450	5.0
58.00611	2.0
59.01387	100.0
61.98836	60.3
62.40458	1.5
69.03455	3.7
69.46628	8.8
69.47059	5.5
71.01389	77.7
72.99319	10.8
73.02953	23.3
75.00880	98.9
78.95889	8.3
83.01391	13.5
85.02954	31.8
87.00880	7.9
87.04495	2.7
89.02444	41.6
95.01378	5.3
96.96977	3.9
97.02973	3.7
98.20596	2.6
99.00903	8.5
99.04505	2.0
101.02453	66.1
103.04019	10.8
108.02168	1.6
109.02969	2.1
111.00881	2.7
111.04501	2.0
113.02458	18.6
115.04005	2.7
119.03535	9.7
123.04510	4.0
125.02481	17.5
131.03506	9.9
141.09244	3.4
143.03520	8.7
145.05052	4.2
149.04547	6.4
151.04010	3.7
159.02998	3.9
161.04573	16.9
162.05022	1.7
163.06157	26.7
163.07506	3.5
164.01154	4.1
165.01900	2.7
165.09213	52.8
166.09514	1.9
166.94316	1.6
169.34358	1.9
179.05614	2.9
191.05611	2.5
199.03615	1.7
200.68941	1.9
204.04301	2.1
205.05328	2.0
205.07120	8.6
243.03008	4.8
247.08211	3.5
261.04028	4.9
293.08743	7.4
307.10321	2.5
313.16763	10.2
357.13477	6.5
357.26520	4.8
371.24246	8.9
373.22318	14.1
375.27386	5.1
406.99606	1.9
459.22461	40.7
460.22821	3.6
461.86667	2.0
519.12268	2.5
519.22266	6.9
519.31000	22.1
520.25220	2.2
523.34644	2.3
533.40619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37361	1.3
55.01873	1.7
57.03442	3.5
58.00579	2.3
59.01381	100.0
61.98834	23.9
69.03447	2.3
70.83318	2.0
71.01385	51.0
72.99316	6.1
73.02950	29.2
74.95763	1.0
78.95909	2.0
81.03452	1.6
83.01394	6.5
83.05018	1.8
85.02951	19.1
85.18716	1.0
86.32420	1.0
87.00877	9.1
87.04511	3.3
89.02443	29.4
93.03436	1.3
95.01380	3.2
96.96976	2.4
97.02943	3.3
99.00884	3.1
101.02447	58.6
102.02766	1.3
103.04010	21.7
109.02995	1.3
111.00936	1.7
113.02438	9.5
114.14126	1.1
115.04000	5.0
119.03500	13.2
125.02443	8.6
127.04028	2.4
131.03529	7.2
137.02451	6.5
138.02777	1.2
143.03506	13.2
145.05081	8.3
149.99667	1.4
159.02997	2.0
161.04559	5.2
163.06129	76.9
164.06387	2.2
165.01836	1.3
168.00557	1.8
177.09161	1.5
205.07161	19.7
265.09210	4.8
288.92557	1.1
313.16473	3.3
339.25180	1.8
357.13196	2.8
357.26291	7.0
373.22122	1.6
375.27502	5.0
459.22244	8.5
519.15204	1.8
519.32123	33.2
520.32397	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	519.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98286	1.1
55.01880	1.4
57.03453	94.8
58.00604	1.1
58.03788	1.6
58.84084	0.9
59.01384	100.0
60.01722	1.3
61.98837	34.6
65.64289	1.0
69.03448	1.2
69.37037	9.4
71.01389	27.0
72.66670	0.9
72.99277	1.9
73.02956	9.8
74.88750	1.0
75.00855	1.0
78.95893	1.9
81.03444	3.1
83.01392	5.6
85.02957	13.8
87.00896	2.3
89.02448	13.0
91.02835	0.9
95.01377	3.0
96.96957	1.4
97.02952	1.2
99.00907	4.9
99.04524	84.0
100.04868	1.8
101.02453	40.6
102.02767	1.7
103.04012	1.3
111.00910	1.1
113.02441	9.2
119.03494	3.3
123.04443	1.5
125.02451	26.7
131.03575	2.1
137.02386	1.3
143.03471	3.8
149.04530	3.0
159.02963	1.7
161.02472	1.4
161.04567	6.8
163.06110	1.9
179.05574	2.7
181.12224	1.4
205.08722	1.4
211.03958	2.2
225.11400	1.7
225.14830	1.2
285.04010	4.0
357.13354	3.7
357.26285	1.2
375.23819	23.3
375.28098	1.5
376.24222	1.4
417.24918	3.2
459.21756	3.4
519.20630	2.1
519.27893	6.3
548.93921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.2
57.03450	5.0
58.00611	2.0
59.01387	100.0
61.98836	60.3
62.40458	1.5
69.03455	3.7
69.46628	8.8
69.47059	5.5
71.01389	77.7
72.99319	10.8
73.02953	23.3
75.00880	98.9
78.95889	8.3
83.01391	13.5
85.02954	31.8
87.00880	7.9
87.04495	2.7
89.02444	41.6
95.01378	5.3
96.96977	3.9
97.02973	3.7
98.20596	2.6
99.00903	8.5
99.04505	2.0
101.02453	66.1
103.04019	10.8
108.02168	1.6
109.02969	2.1
111.00881	2.7
111.04501	2.0
113.02458	18.6
115.04005	2.7
119.03535	9.7
123.04510	4.0
125.02481	17.5
131.03506	9.9
141.09244	3.4
143.03520	8.7
145.05052	4.2
149.04547	6.4
151.04010	3.7
159.02998	3.9
161.04573	16.9
162.05022	1.7
163.06157	26.7
163.07506	3.5
164.01154	4.1
165.01900	2.7
165.09213	52.8
166.09514	1.9
166.94316	1.6
169.34358	1.9
179.05614	2.9
191.05611	2.5
199.03615	1.7
200.68941	1.9
204.04301	2.1
205.05328	2.0
205.07120	8.6
243.03008	4.8
247.08211	3.5
261.04028	4.9
293.08743	7.4
307.10321	2.5
313.16763	10.2
357.13477	6.5
357.26520	4.8
371.24246	8.9
373.22318	14.1
375.27386	5.1
406.99606	1.9
459.22461	40.7
460.22821	3.6
461.86667	2.0
519.12268	2.5
519.22266	6.9
519.31000	22.1
520.25220	2.2
523.34644	2.3
533.40619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2025
Annotation	Benzoylgomisin O
Peak:m/z	Relative Intensity
53.27883	0.9
57.03423	1.9
59.01372	9.0
59.37350	0.8
61.98832	15.9
62.30392	0.9
64.76312	0.7
65.44935	0.7
66.55433	0.8
69.62840	6.2
71.01380	1.6
73.02956	1.1
74.68615	0.9
81.07104	0.9
83.05040	1.5
97.06644	1.0
108.02155	0.9
109.02964	2.1
113.06047	1.0
121.02940	1.9
123.04496	1.7
136.01682	8.6
137.02429	3.5
150.43613	1.0
151.04062	7.0
163.04021	0.8
169.43338	0.8
174.28528	0.9
175.03928	1.0
177.05643	1.1
180.87422	0.9
181.14706	0.9
219.13890	1.5
220.71027	0.9
236.39682	1.0
240.07788	1.0
251.16350	1.2
253.04990	1.2
254.05795	3.6
255.06668	1.4
265.14420	1.1
267.06665	1.2
267.16089	0.9
268.07486	1.2
269.08157	1.6
280.94431	0.9
281.08237	2.5
282.05307	1.0
283.06158	1.5
283.09552	1.6
284.06934	1.6
284.10425	1.8
285.17102	1.0
297.11200	1.1
298.08496	1.7
299.09210	4.1
307.09875	1.1
311.09329	1.0
313.10944	2.6
316.09256	1.0
325.10718	2.8
327.12442	0.9
398.90860	0.9
429.13550	1.8
430.10266	1.3
444.15836	1.6
448.11688	1.8
459.18445	1.5
471.08368	1.1
471.14639	2.1
489.15103	4.1
503.16901	2.7
504.17798	8.6
519.20251	100.0
519.32385	10.7
520.20605	12.6
520.33746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03449	5.9
58.00608	5.4
59.01387	100.0
61.98838	91.8
63.99270	5.6
66.76942	1.1
69.03477	3.9
71.01390	80.5
71.10005	1.1
71.63490	1.4
72.99321	9.4
73.02955	22.7
75.00871	2.8
78.95948	1.8
81.03482	3.3
83.01396	9.2
83.05049	2.1
85.02960	30.5
87.00885	6.0
87.04541	2.5
88.98836	1.6
89.02454	67.8
90.02832	1.6
93.03477	2.6
95.01431	4.8
96.96926	1.2
97.02973	4.7
99.00895	8.6
99.04558	2.0
101.02457	58.9
102.02821	1.5
103.04021	9.9
109.02982	1.9
111.00887	1.9
112.97894	1.1
113.02469	21.6
115.04063	3.9
119.03532	13.0
121.02999	1.9
123.04564	2.8
125.02460	21.7
131.03506	15.3
131.04283	1.2
137.02527	3.8
139.50316	1.2
143.03525	9.5
145.05098	3.3
148.01714	1.2
149.02583	6.2
149.04556	20.3
149.05672	1.5
151.04095	2.3
152.07179	2.0
159.03008	1.4
161.04582	12.0
163.06161	22.9
163.07559	2.2
165.02036	1.2
165.09225	54.0
166.09581	3.1
177.01968	9.1
179.05612	2.1
183.99101	1.2
191.05664	7.0
205.07141	8.7
207.10420	1.6
211.13387	1.3
233.06721	4.2
258.68478	1.1
266.74295	1.3
289.07220	1.8
293.08817	29.1
293.11902	1.6
299.01993	1.2
312.12579	2.4
312.89938	1.3
313.16608	11.6
357.26389	8.6
373.22232	1.7
375.27670	3.2
376.27231	1.4
440.15512	1.3
459.22421	25.5
459.28384	1.6
460.23160	3.1
501.31253	3.7
519.32007	80.5
520.32544	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3378
Annotation	Discarine H
Peak:m/z	Relative Intensity
57.03459	4.1
59.01380	5.8
61.81245	0.5
61.98828	9.0
69.03462	0.7
69.39614	5.2
69.49944	0.6
71.01386	1.8
71.54580	0.6
73.02946	1.6
75.00872	1.1
81.03467	0.7
83.05021	1.6
85.02972	0.9
88.77402	0.6
89.02454	0.8
89.72646	0.5
93.26255	0.5
95.05035	1.8
97.06591	8.3
97.59504	0.7
98.03036	0.5
98.20583	1.1
109.06609	0.7
111.08120	0.6
121.06593	0.9
123.08160	5.0
125.06136	0.7
125.09726	48.1
126.10084	2.1
127.11295	1.7
127.68587	0.6
137.06119	0.6
140.42995	0.5
141.09187	0.6
143.10803	1.6
150.68217	0.6
169.08699	1.0
171.10326	1.5
175.11250	0.7
187.09772	25.2
188.10184	0.8
191.10725	0.9
199.13420	2.3
201.11269	2.8
215.12959	1.7
223.08345	1.0
234.82994	0.5
235.13535	0.8
293.21167	1.0
307.19403	0.6
311.22327	1.4
327.21921	0.6
329.23306	6.3
331.24915	2.6
347.24380	13.3
348.24863	1.4
435.66132	0.5
473.28152	0.6
496.67310	0.7
499.33035	3.0
500.15125	0.6
504.24188	0.7
517.33856	100.0
518.34143	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	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03451	73.9
58.00595	2.7
59.01382	100.0
59.33138	1.3
61.98840	14.7
64.06816	1.1
65.34053	1.1
69.03469	2.4
70.47225	1.8
71.01387	52.9
72.99315	4.1
72.99931	1.4
73.02953	23.5
78.95906	1.8
81.03467	1.6
81.33755	1.1
83.01393	9.5
83.05039	2.0
85.02950	12.4
87.00877	3.4
87.04520	1.3
89.02451	51.8
95.01368	1.8
97.02952	2.5
99.00895	11.4
99.04527	64.8
100.04803	1.7
101.02447	57.9
109.02966	2.3
111.00850	1.4
111.04512	1.4
113.02454	21.1
119.03533	11.1
121.02986	1.6
123.04520	6.1
125.02453	25.5
127.04002	1.7
131.03510	12.5
137.02470	1.9
137.03674	1.1
141.05611	1.6
141.09221	15.4
143.03479	7.0
149.04555	23.5
151.04037	1.4
161.02512	1.9
161.04570	12.6
161.09720	1.2
163.06105	1.8
169.81514	1.2
179.03494	5.5
179.05568	4.9
179.10765	2.2
191.05615	4.5
194.05852	4.8
205.12344	5.5
209.08180	5.2
221.06558	2.2
222.40558	1.4
223.09750	2.4
278.80966	1.2
289.07285	3.7
311.09631	1.5
311.15039	6.6
325.13129	1.3
331.25168	1.5
355.25049	2.9
373.22125	6.3
387.27441	3.3
457.20828	8.7
473.34888	2.0
499.32837	2.8
517.18921	6.9
517.29895	8.5
518.19623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.8
57.03450	5.4
58.00589	1.5
59.01381	72.8
60.01717	0.9
61.98832	11.3
68.99826	0.9
69.03461	1.3
70.00204	0.8
71.01384	56.3
71.62896	1.2
72.99303	3.7
73.02946	21.7
75.00874	1.8
81.03467	1.4
83.01388	17.7
85.02954	26.1
87.00858	3.1
87.04459	0.9
89.02444	18.1
93.03449	1.7
95.01395	4.3
97.02972	2.0
97.49306	0.8
99.00889	7.6
99.04510	5.0
101.02444	55.0
102.02782	1.5
103.04020	4.6
109.02961	1.1
113.02452	22.9
119.03511	5.8
125.02450	8.6
126.37653	0.8
127.03997	1.0
129.01955	0.9
131.03508	2.7
137.02448	3.0
138.02777	0.8
141.09196	2.0
143.03474	3.8
145.05048	1.9
148.80902	0.8
149.04553	3.2
155.92474	0.7
159.02951	4.0
161.04561	24.4
163.06117	8.3
163.07637	22.8
164.07889	1.3
168.03966	0.8
179.05573	1.7
191.05585	0.9
191.10750	1.0
205.03415	1.0
205.07153	2.3
229.07048	1.2
247.08284	2.7
293.08759	2.5
307.10236	0.9
311.14993	62.8
312.15250	5.1
355.24969	2.0
371.20767	1.7
429.15771	1.5
442.57364	0.9
457.20795	100.0
458.21176	10.1
517.30664	8.2
541.97021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65110	1.4
55.01878	6.5
57.03447	8.2
58.00596	1.3
59.01384	100.0
60.01716	1.5
60.09507	1.3
61.98833	19.1
69.03464	2.5
71.01388	85.8
71.17074	1.3
71.45567	1.4
72.99319	5.4
73.02953	32.5
78.49119	1.4
81.03453	1.8
83.01395	19.7
83.05033	5.0
85.02956	36.4
87.00887	5.3
87.04537	3.6
89.02450	36.5
93.03482	1.5
95.01402	5.4
97.02988	4.0
99.00890	11.6
99.04515	4.7
101.02454	72.0
101.06097	3.7
102.02748	1.9
103.04004	6.6
105.23557	1.5
107.01381	2.5
109.02964	3.1
111.00900	2.2
111.04523	4.8
113.02456	32.2
113.09711	1.6
119.03526	11.2
123.04557	3.2
123.08226	1.6
125.02461	10.0
127.04016	5.5
131.03491	6.8
135.00893	1.2
141.09232	42.5
142.09564	1.8
143.03542	7.0
145.05078	1.8
149.04555	4.3
153.05600	3.5
159.02997	5.3
161.04555	33.1
163.00424	1.6
163.06143	13.9
163.07666	15.0
167.03473	1.4
173.06100	1.8
179.05615	4.2
185.06151	2.9
187.04044	2.6
189.05676	1.6
195.08524	1.6
197.06143	1.5
199.03970	1.8
205.07126	3.2
208.98898	1.3
211.04106	1.3
213.05453	2.2
227.03516	15.4
228.03877	2.3
229.05061	10.3
229.07091	2.5
239.03421	2.1
240.04181	1.8
247.08315	1.8
255.03008	41.0
256.03418	4.4
257.04596	7.3
265.09290	2.6
284.03265	47.0
285.04047	96.3
286.04416	8.7
289.07159	2.0
311.15024	66.1
312.15375	4.2
331.24789	2.2
355.25058	3.1
371.20807	2.2
373.26059	1.9
387.27579	9.6
457.20807	89.1
458.21176	9.6
473.10895	45.2
473.34915	2.9
474.11624	6.4
499.32684	4.3
517.22571	6.0
517.30200	23.9
518.30640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
56.05843	0.7
57.03446	4.7
57.61044	0.6
58.00586	4.0
59.01379	81.8
60.01725	1.2
61.98832	9.5
69.03444	1.2
69.65236	0.6
71.01383	67.1
71.62865	1.1
72.01712	0.8
72.99306	3.0
73.02945	19.4
78.95931	0.8
83.01399	6.4
85.02941	9.9
85.83328	0.7
87.00882	1.9
89.02444	100.0
90.02779	1.0
95.01388	1.6
97.02934	1.2
99.00877	25.7
99.04523	3.2
100.01253	0.9
101.02444	47.0
102.02756	0.9
103.03994	1.4
113.02451	13.5
115.04018	1.5
116.92752	0.7
119.03497	9.0
125.02448	5.9
125.25988	0.7
131.03502	17.7
133.40215	0.8
134.03734	2.3
140.82581	0.7
141.09233	2.9
143.03500	3.1
149.04553	66.5
150.04886	1.9
161.02451	1.0
161.04544	6.1
163.06183	3.3
179.05618	2.5
179.10718	1.1
191.05602	13.8
205.07179	1.9
205.12366	8.8
206.12772	0.9
210.35445	0.8
221.06638	2.8
251.07654	4.5
255.10249	2.9
289.07104	1.0
293.09000	0.9
311.09827	1.2
311.14993	2.2
355.24771	1.3
457.20740	4.6
458.21005	1.4
517.23114	3.2
517.30048	6.9
518.23114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70877	0.2
59.01375	1.5
61.51355	0.2
61.58253	0.2
61.98833	100.0
69.40502	1.5
70.20156	0.2
71.01397	0.9
73.02938	0.2
89.02462	0.7
93.03456	1.1
97.02843	0.2
98.22994	0.2
101.02464	0.5
113.02454	0.3
119.03558	0.3
120.37205	0.2
125.45975	0.2
137.02431	2.7
137.03329	0.2
247.24942	0.2
334.09015	0.2
335.59207	0.2
516.29260	0.4
517.30536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18916	0.3
57.03445	0.2
59.01376	2.7
61.98831	100.0
62.71290	0.2
69.43893	2.0
71.01375	1.7
71.73080	0.3
73.02952	0.6
75.79063	0.3
76.33525	0.2
85.02952	0.5
87.00875	0.3
89.02435	1.2
98.19870	0.3
101.02455	1.6
113.02476	1.0
119.03475	0.3
124.19556	0.2
125.02417	0.3
138.32938	0.3
206.99870	1.8
208.00180	1.4
208.99536	4.4
285.04175	0.4
295.42444	0.3
325.16727	0.3
355.24734	0.4
457.21301	0.3
516.28815	1.5
517.30914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.1
57.03455	7.3
58.00596	3.0
59.01386	70.4
60.01713	1.4
61.98833	17.2
63.02404	1.2
69.03474	1.3
69.41488	2.5
69.41899	5.5
71.01389	58.3
72.99314	3.3
73.02950	22.3
75.00842	1.5
75.44623	0.9
81.03468	1.3
83.01380	11.8
83.05032	2.5
85.02962	21.8
87.00890	3.9
87.04527	0.9
89.02451	23.8
93.03487	1.8
95.01379	3.0
97.02956	2.7
98.20581	1.6
99.00891	8.7
99.04557	5.1
100.04836	1.4
101.02452	46.9
101.06100	1.3
102.02794	1.2
103.04014	3.5
107.01382	2.0
109.02973	1.5
110.47959	0.9
111.00890	1.6
111.04525	2.0
113.02455	19.2
119.03510	9.4
122.56815	0.9
123.04566	3.3
125.02458	7.3
126.41184	1.0
127.04028	1.7
131.03557	1.8
135.00854	1.3
138.95578	1.0
141.09233	16.3
143.03526	2.9
145.05121	1.3
149.04552	3.5
151.00386	1.3
153.05563	5.5
157.06529	1.6
159.03018	5.2
159.04295	1.0
161.04578	18.9
163.00406	1.5
163.06142	9.2
163.07642	4.5
179.05641	4.2
185.06128	3.2
186.54767	1.2
187.04005	2.8
191.05582	1.0
199.04018	1.2
205.07132	2.0
211.04106	2.1
213.05508	1.7
227.03522	15.6
228.03772	1.5
229.05086	9.6
229.07202	1.5
239.03557	1.9
255.03004	33.4
255.05693	1.7
256.03592	3.0
257.04599	6.6
267.02972	1.2
284.03281	42.1
284.06442	2.0
285.04059	100.0
286.04379	8.3
307.10498	1.3
311.15036	47.0
312.15302	2.4
331.24698	1.6
344.18738	1.1
355.11948	2.5
355.24838	3.1
387.27472	3.5
397.07306	1.0
457.20798	64.8
458.21051	6.0
473.10904	43.7
473.34628	1.4
474.11163	4.4
499.32950	1.3
516.28888	2.9
517.22400	5.3
517.30139	18.4
518.30188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.13767	0.2
61.98834	100.0
65.67592	0.2
71.01398	1.2
71.64715	0.3
71.65113	0.2
73.02951	0.2
83.01404	0.2
88.98808	0.3
89.02448	2.0
94.90836	0.2
99.00890	0.2
99.92897	0.2
101.02425	0.9
113.02512	0.4
119.03522	0.2
125.02472	0.7
131.03532	0.2
131.51500	0.2
149.04584	1.2
149.99619	0.2
159.56712	0.2
168.00688	0.3
173.12578	0.2
174.08205	0.2
191.05595	0.3
251.45090	0.2
309.52997	0.2
516.18549	0.2
517.16052	0.3
517.23077	0.4
534.95337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01387	3.3
61.98835	100.0
69.77988	0.3
71.01391	2.6
72.99306	0.4
73.02964	1.1
74.41773	0.3
83.01427	0.5
85.02956	1.0
89.02459	1.0
93.62781	0.3
98.20661	0.5
101.02450	1.6
101.80315	0.3
103.71246	0.3
104.23574	0.3
109.03011	0.4
113.02479	0.9
119.03530	0.5
120.01273	0.6
123.04543	0.6
125.02450	0.4
133.80060	0.3
137.02400	0.4
161.04608	0.6
208.99670	0.5
259.88910	0.3
289.07083	0.4
290.07642	0.4
325.16736	1.0
355.25027	0.6
410.04565	0.3
457.21005	0.8
516.20123	0.5
516.28668	0.6
517.22833	0.5
517.30151	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	516.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91988	0.1
59.01387	1.5
60.51035	0.1
61.98836	100.0
69.41830	0.3
69.42250	0.6
71.01398	1.0
73.02970	0.3
85.02957	0.4
89.02470	0.4
93.03482	0.4
101.02444	0.9
105.49468	0.1
113.02466	0.6
119.03495	0.2
123.04503	0.1
125.02483	0.4
129.87901	0.1
137.02480	0.8
139.07672	0.1
141.09251	0.3
143.03519	0.1
160.03999	0.1
161.04599	0.3
168.03903	0.1
171.09599	0.1
173.09659	0.1
179.05582	0.2
181.97289	0.1
185.44095	0.1
261.15677	0.1
285.04288	0.2
289.07288	0.3
305.06876	0.2
394.28738	0.1
457.21323	0.2
516.19806	0.4
516.29053	0.7
517.30133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.81054	0.2
57.03452	0.3
58.00600	0.4
59.01089	0.3
59.01384	5.0
61.98822	0.2
70.05301	0.7
71.00989	0.3
71.01389	4.4
72.99296	0.5
73.02952	0.8
75.00878	5.6
83.01392	0.4
83.05025	0.1
85.02954	1.1
87.00871	0.5
89.02454	2.7
95.01406	0.4
97.02931	0.2
99.00867	0.2
101.02448	3.7
105.31192	0.1
113.02464	1.8
116.03336	0.1
119.03520	1.0
125.09705	0.2
133.05020	0.2
140.10406	0.1
143.03537	0.2
152.99518	0.1
156.28163	0.1
160.08615	0.2
161.04553	1.1
179.05579	0.5
235.08286	0.9
253.09293	13.1
254.09583	0.5
261.22247	0.4
271.22757	0.2
277.21774	1.2
278.22018	0.2
279.23291	100.0
280.23651	8.0
319.23090	0.1
407.34360	0.1
515.30121	0.5
516.30664	0.2
526.87701	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03451	0.2
58.00581	0.1
59.01383	5.0
61.98826	0.2
68.22008	0.1
71.01386	3.9
72.01723	0.1
72.99309	0.2
73.02953	0.8
75.00873	0.2
78.95895	0.1
83.01411	0.6
83.01817	0.1
83.05009	0.2
85.02962	0.9
87.00892	0.5
89.02448	3.0
91.04015	0.1
92.33298	0.1
95.01390	0.3
97.02967	0.2
99.00880	0.4
101.02444	3.7
103.04016	0.1
113.02461	1.9
119.03522	0.8
125.02431	0.2
131.03519	0.2
133.05064	0.4
143.03499	0.4
149.04521	0.1
152.99614	0.2
157.05142	0.1
161.04561	1.4
171.25233	0.1
179.05598	0.6
204.33778	0.1
229.54736	0.1
235.08290	1.1
253.09297	13.9
254.09624	0.5
261.22083	0.2
279.23288	100.0
280.23645	7.9
333.30420	0.1
515.30383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.286
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.23368	0.7
50.59466	0.8
55.01888	1.3
56.94643	0.6
57.03180	1.2
57.03451	20.0
58.00585	1.9
59.01381	71.0
60.01709	1.0
61.98833	25.3
69.03450	1.3
70.29539	2.1
70.29884	0.8
71.01384	31.7
71.04991	0.8
72.99313	2.9
73.02947	5.5
73.04230	0.6
81.03450	1.2
82.23462	0.6
83.01379	2.6
83.05032	1.0
83.31134	0.7
85.02946	8.0
87.00886	1.5
87.04550	1.1
89.02446	32.1
93.03458	21.1
95.01386	2.7
99.00882	1.7
99.04524	18.6
101.02445	26.7
109.02937	1.1
111.04503	0.9
113.02459	12.9
119.03510	10.4
121.02955	1.2
122.16188	0.7
123.04542	0.8
125.02447	12.7
126.02785	0.7
127.04034	0.7
131.03505	1.2
135.08159	5.4
137.02448	45.4
138.02765	1.1
141.09233	4.9
142.77904	0.7
143.03514	1.6
147.08128	1.2
149.04517	2.0
161.04584	4.2
165.01956	0.8
165.68422	0.6
168.00677	1.9
175.11348	0.9
177.09285	1.0
179.05600	3.2
191.05623	1.0
191.10791	1.1
221.08188	3.1
223.24596	0.8
229.16035	1.3
235.13304	4.0
247.16962	1.4
285.04041	1.0
289.07141	2.7
323.15082	1.2
335.22165	7.1
351.21649	1.4
353.23322	10.6
354.23755	1.4
371.20691	4.2
413.21790	1.9
497.31235	1.2
515.17407	3.3
515.28668	100.0
516.29053	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	515.2864
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.49127	0.6
50.67998	0.7
55.01880	1.8
55.31599	0.8
56.87559	0.7
57.03461	3.3
58.00580	1.7
59.01382	35.1
61.98832	58.3
69.03451	1.2
71.01385	31.2
71.64103	0.9
72.99314	3.0
73.02950	7.9
75.00872	1.8
78.95837	0.7
80.54476	0.7
81.03423	1.0
82.54646	0.7
83.01384	5.8
83.05051	1.1
85.02957	12.1
87.00877	2.7
87.04498	1.8
89.02453	17.6
94.91917	0.9
95.01378	3.3
97.02917	1.4
99.00873	3.4
99.04509	0.8
101.02446	23.1
105.52242	0.6
109.02951	1.7
111.04552	0.8
113.02449	12.1
119.03507	5.9
121.02936	0.9
121.06559	0.9
123.04508	1.2
123.08127	0.8
124.01691	0.7
125.02431	3.7
127.02934	0.7
127.04012	1.3
137.02426	2.4
137.09694	1.6
139.04036	0.9
143.03513	1.6
149.09677	0.7
151.65552	0.8
161.04578	3.8
165.01988	1.0
165.05490	0.9
168.00642	1.2
179.05502	1.3
182.91603	0.8
224.32416	0.7
285.04059	1.1
289.07205	0.9
303.05228	0.9
335.22342	1.1
353.23294	2.6
471.33496	0.8
497.27356	3.6
498.27756	0.7
513.54608	0.7
515.20844	3.9
515.28613	100.0
516.29089	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	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
56.66032	1.0
56.95652	1.0
57.03452	96.8
58.03782	1.1
59.01384	100.0
60.01705	1.3
61.92815	0.9
61.98833	14.6
62.09961	0.9
62.91307	0.9
69.32233	10.0
71.01387	27.0
73.02953	15.3
81.03448	2.5
83.01409	5.9
83.05041	4.8
85.02949	11.6
85.06584	1.1
85.18002	1.1
87.00890	1.2
89.02439	7.4
93.03465	40.3
95.01395	3.2
96.97012	1.2
98.20651	2.4
99.00874	3.8
99.04522	91.1
100.04866	2.3
101.02448	38.3
101.06087	3.4
103.04035	1.1
109.02956	2.3
111.04523	4.6
113.02440	10.3
113.09763	2.2
118.37141	0.9
119.03454	1.6
125.02454	39.8
127.04011	4.0
135.08168	1.2
137.02452	74.8
138.02759	2.7
141.09227	41.7
143.03482	4.1
143.04677	1.0
146.97537	0.9
159.03008	1.8
161.04547	9.7
164.42131	1.0
166.02658	1.0
172.42953	1.0
175.04066	1.4
191.05843	1.0
250.70314	1.0
289.07187	3.5
329.23328	2.3
335.22379	1.6
348.99094	1.1
371.20715	23.5
372.21133	1.6
385.25922	10.5
413.21683	2.2
471.33337	2.7
493.74298	1.0
497.31229	4.2
515.17877	5.0
515.29584	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	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
56.66032	1.0
56.95652	1.0
57.03452	96.8
58.03782	1.1
59.01384	100.0
60.01705	1.3
61.92815	0.9
61.98833	14.6
62.09961	0.9
62.91307	0.9
69.32233	10.0
71.01387	27.0
73.02953	15.3
81.03448	2.5
83.01409	5.9
83.05041	4.8
85.02949	11.6
85.06584	1.1
85.18002	1.1
87.00890	1.2
89.02439	7.4
93.03465	40.3
95.01395	3.2
96.97012	1.2
98.20651	2.4
99.00874	3.8
99.04522	91.1
100.04866	2.3
101.02448	38.3
101.06087	3.4
103.04035	1.1
109.02956	2.3
111.04523	4.6
113.02440	10.3
113.09763	2.2
118.37141	0.9
119.03454	1.6
125.02454	39.8
127.04011	4.0
135.08168	1.2
137.02452	74.8
138.02759	2.7
141.09227	41.7
143.03482	4.1
143.04677	1.0
146.97537	0.9
159.03008	1.8
161.04547	9.7
164.42131	1.0
166.02658	1.0
172.42953	1.0
175.04066	1.4
191.05843	1.0
250.70314	1.0
289.07187	3.5
329.23328	2.3
335.22379	1.6
348.99094	1.1
371.20715	23.5
372.21133	1.6
385.25922	10.5
413.21683	2.2
471.33337	2.7
493.74298	1.0
497.31229	4.2
515.17877	5.0
515.29584	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98829	100.0
62.98534	0.2
66.52792	0.1
69.43050	0.5
69.43449	0.2
71.01362	0.1
76.47259	0.1
101.02467	0.1
109.69024	0.1
136.36203	0.1
162.53484	0.1
322.19635	0.2
354.03967	0.1
454.17358	0.1
454.23721	0.1
483.34256	0.1
514.32825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14819	0.8
57.03453	56.4
59.01384	3.0
61.98837	6.7
69.54809	6.5
71.01369	1.5
83.01401	1.0
85.02951	1.0
89.02438	1.5
99.04527	34.4
101.02468	12.5
105.03509	1.4
113.02446	0.9
125.01616	1.2
125.02450	14.1
128.90170	1.3
129.01938	1.4
137.02422	1.0
141.06006	0.8
145.68842	0.8
151.04008	4.7
161.02454	23.0
176.04802	14.7
179.03497	38.3
180.03995	1.3
191.07155	6.3
194.05847	45.9
195.06297	1.8
209.08192	100.0
210.08615	4.9
230.65263	0.8
515.17987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01379	1.7
61.98831	100.0
69.43439	1.7
69.43862	1.5
71.01382	0.8
73.02951	1.1
83.05064	0.6
83.56088	0.4
85.02953	0.5
101.02454	0.7
104.88595	0.4
135.08191	0.3
185.09488	0.4
198.10416	0.5
199.11113	0.4
201.12776	0.4
315.28729	0.4
382.24402	0.6
434.28006	1.3
452.28793	2.6
453.29440	0.5
458.99457	0.5
496.28223	1.3
514.28937	4.6
515.30481	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	514.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46107	0.3
53.21354	0.3
55.35548	0.3
57.03447	0.5
59.01385	1.0
59.94998	0.3
61.98835	100.0
62.31074	0.3
69.43865	0.7
69.44294	1.7
71.01395	0.7
78.24601	0.3
81.53492	0.3
89.02426	0.4
97.06646	0.4
101.02444	0.5
112.13725	0.3
113.02447	0.3
125.09762	0.4
175.11198	0.3
183.61859	0.3
206.11145	0.3
388.12601	0.3
405.72861	0.3
448.24344	0.3
514.28265	1.1
515.31055	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	514.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	4.3
59.01387	2.2
61.98837	15.4
69.35178	8.6
69.35498	2.1
71.01371	1.5
72.00906	2.0
73.02898	0.9
73.04071	5.7
73.48839	0.8
74.02472	36.4
80.05052	1.4
84.00879	0.9
84.04531	1.0
87.05637	12.4
88.98797	3.5
101.02396	1.1
101.07253	1.1
105.54400	0.9
110.02454	5.3
111.05633	1.8
112.02828	4.3
112.04018	2.2
118.05115	5.8
125.02458	1.7
126.06731	9.3
127.05128	1.4
129.06706	13.7
129.10326	2.6
130.08716	3.5
139.08774	2.7
140.07173	4.0
141.10338	2.5
143.11905	19.7
144.07788	36.4
145.08138	1.6
151.08784	3.2
153.10365	2.3
158.09309	1.1
168.07777	23.1
168.11453	1.7
169.09790	3.8
169.13441	3.7
175.74663	0.9
186.08855	35.7
187.09282	1.8
187.10876	5.2
195.14862	1.6
196.14626	1.3
197.16608	2.5
199.18063	1.1
200.14020	1.3
212.13997	1.7
214.15715	2.6
221.16667	2.0
225.11128	1.3
225.16101	4.1
231.12183	1.5
239.15164	3.0
242.30867	1.0
246.97325	0.9
254.15092	1.2
256.20306	24.6
257.20529	1.6
278.18744	1.4
281.16208	2.7
282.18451	1.5
282.21811	3.2
299.17215	1.3
300.19382	1.7
300.22775	1.2
313.22433	8.7
339.24402	1.0
357.21329	2.2
384.26218	4.4
413.24039	3.9
426.27219	2.8
428.24893	1.5
452.28894	2.0
470.26169	86.5
471.26492	8.9
514.28796	100.0
515.17615	2.7
515.29095	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.3
57.03466	0.1
58.00620	0.2
59.01380	6.3
61.37736	0.1
61.98870	0.1
63.01870	0.1
69.03493	0.1
70.95291	0.2
70.95628	0.1
71.01387	4.6
72.99340	0.2
73.02953	1.2
80.09705	0.1
83.01426	0.5
83.05070	0.3
85.02964	1.0
87.00887	0.6
89.02448	3.4
91.04039	0.2
95.01414	0.4
97.02985	0.2
99.00925	0.3
101.02448	4.5
103.04054	0.2
113.02461	1.9
113.99675	0.1
115.04018	0.2
119.03508	0.9
125.02469	0.1
127.07710	0.2
133.05109	0.3
143.03534	0.3
146.89743	0.1
153.41637	0.1
157.05042	0.1
161.04552	1.7
173.04497	0.1
174.20465	0.1
179.05634	0.6
182.13136	0.2
183.42966	0.1
210.31670	0.1
233.22832	0.2
235.08228	1.2
253.09291	15.1
254.09641	0.6
259.20682	0.4
275.20090	0.2
277.21713	100.0
278.22061	8.2
286.17792	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22124	0.3
53.24685	0.3
56.35540	0.3
61.98830	100.0
66.47503	0.3
67.18172	0.3
69.63177	1.9
70.47902	0.3
71.01393	0.3
71.85087	0.3
79.30572	0.3
98.19873	0.6
123.04584	0.5
125.02447	2.6
137.02428	3.1
151.04010	1.5
163.88663	0.3
289.07227	0.5
451.12372	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	514.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01384	3.5
61.98836	100.0
69.34222	3.6
71.01388	1.1
71.14566	0.3
78.48409	0.3
81.98494	0.3
89.02456	0.4
97.06599	0.5
101.02513	0.4
113.02477	0.4
117.29961	0.4
210.22678	0.4
216.00850	0.4
235.26965	0.5
245.11784	0.3
471.27811	0.5
514.28308	1.4
515.30823	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	513.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37693	0.6
53.17616	0.7
55.01896	0.9
57.03434	1.4
59.01385	9.6
60.88950	0.7
61.98814	1.4
71.01377	9.8
72.00862	0.7
72.99313	0.8
73.02946	7.0
75.00881	2.6
82.41199	0.8
83.01410	1.6
85.02938	1.2
89.02451	4.0
101.02444	100.0
102.02792	2.2
113.02448	2.6
118.20168	0.6
119.03482	4.2
131.03513	1.1
150.08586	0.7
179.61017	0.7
188.63141	0.8
221.06798	1.3
229.38777	0.8
255.23299	41.1
256.23621	2.9
269.24887	5.7
277.21832	0.9
281.24796	1.0
297.24335	9.1
298.24857	1.3
309.24344	3.0
327.25320	4.2
357.26215	1.9
434.75037	0.9
442.15054	0.7
495.37006	0.7
513.28503	2.4
513.51544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03450	0.2
58.00601	0.3
59.01380	7.3
60.34032	0.1
66.00426	0.1
69.03458	0.1
69.33926	0.1
69.34360	0.6
71.01382	5.2
71.27094	0.1
72.01747	0.1
72.99305	0.3
73.02950	1.1
73.68401	0.1
73.68837	0.1
78.95911	0.1
81.03466	0.1
82.43686	0.1
83.01382	0.6
83.05039	0.2
85.02950	1.3
87.00874	0.7
88.44439	0.1
89.02446	3.9
91.04035	0.3
95.01414	0.4
97.02946	0.2
99.00897	0.2
99.04549	0.1
101.02445	5.1
101.20376	0.1
102.02792	0.1
103.04002	0.1
103.37061	0.1
113.02449	2.4
115.04022	0.1
115.92098	0.1
119.03510	1.1
125.02460	0.2
127.04032	0.1
127.07663	0.3
131.03526	0.2
133.05054	0.3
143.03477	0.4
149.04514	0.1
152.99571	0.2
157.05006	0.1
160.21263	0.1
161.04558	2.0
179.05569	0.6
182.13246	0.1
187.06248	0.1
187.07956	0.1
210.66531	0.1
233.22844	0.4
235.08197	0.9
253.09280	18.3
254.09641	0.7
259.20602	0.4
275.20135	0.3
277.21710	100.0
278.22058	7.6
513.16351	0.1
513.28503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2708
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
57.03441	4.8
58.00615	2.0
59.01384	100.0
61.98836	39.3
63.99265	2.2
69.03458	1.4
71.01390	38.6
71.63438	1.5
72.99300	3.2
73.02950	3.6
78.95905	1.5
81.03463	1.5
83.01394	3.2
85.02972	10.4
87.00874	2.4
89.02448	42.1
95.01413	1.8
96.96025	1.6
99.04530	5.6
101.02446	24.3
111.04521	1.5
113.02454	20.8
119.03512	19.2
120.03992	1.3
121.02855	1.1
122.47449	1.1
124.01615	1.9
125.02441	7.6
131.03540	2.8
134.77684	1.2
135.08176	2.3
137.02446	1.8
137.09714	2.7
141.09329	1.5
143.03487	5.3
143.47192	1.3
149.04558	3.0
151.07663	4.8
152.08429	8.1
161.04575	8.5
163.04019	1.3
164.01057	1.1
168.00679	1.4
177.01793	1.4
179.05634	13.6
191.10695	1.4
207.13942	1.9
208.20605	1.1
228.57126	1.3
282.79510	1.3
291.16174	2.5
301.16464	2.2
333.20700	1.6
351.21667	5.3
435.23755	1.2
453.24911	31.3
454.25269	3.2
483.22308	2.0
513.20831	4.6
513.27356	10.3
514.27325	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	513.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03787	4.4
55.01876	7.0
59.01377	48.0
61.98835	78.2
69.45148	42.3
69.64206	4.5
71.01379	51.9
73.02934	21.1
77.04147	4.3
82.00743	4.7
83.01386	16.8
85.02950	31.1
87.00842	5.8
89.02438	13.6
97.02982	5.5
99.00880	4.8
101.02458	46.8
113.02433	20.0
119.66892	4.2
125.02412	19.1
161.04546	13.3
168.00581	10.8
205.12315	6.5
233.19104	4.3
321.19189	100.0
322.19681	7.2
453.23395	67.5
513.14807	6.5
513.21332	19.9
533.04407	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
58.00586	2.9
59.01381	100.0
60.31427	1.3
61.98832	60.8
69.40439	10.6
71.01383	30.5
72.99309	2.5
73.02944	4.4
75.00908	2.0
79.62890	1.3
80.05095	1.7
83.01395	3.4
85.02959	9.3
87.00860	4.6
88.98812	2.2
89.02450	16.7
95.01385	1.9
97.02939	1.5
98.03232	1.3
99.00883	2.0
101.02435	17.9
108.04559	2.2
109.02958	2.5
112.45251	1.2
113.02451	13.7
119.03483	5.8
121.02925	1.6
121.05310	3.5
122.06130	8.4
123.04525	3.7
125.02458	11.7
131.03523	1.9
136.07715	1.6
137.02431	3.4
138.05600	4.3
143.03470	1.6
145.61484	1.4
148.04074	1.5
149.04729	2.4
150.03271	1.4
150.05562	2.6
151.03993	9.1
159.02992	1.7
161.02448	3.0
161.04558	16.4
165.01979	1.4
165.04291	3.1
166.05093	3.7
167.03456	1.3
175.04027	1.7
177.01852	1.7
179.03471	1.4
179.05563	2.3
184.11276	2.3
188.07138	3.6
202.12367	5.8
203.07126	2.5
204.06670	3.2
216.06645	2.7
217.07463	2.1
227.14217	1.8
228.10390	2.0
229.09822	4.2
229.15950	4.7
231.09148	2.3
231.11360	17.2
232.11835	1.4
243.02879	1.7
243.11230	1.8
245.08014	1.6
246.11302	8.4
247.11690	1.2
253.09741	2.1
269.04492	2.3
270.10242	1.7
271.10852	20.5
273.14957	2.8
289.07162	5.9
291.15976	14.8
328.10394	1.6
346.11423	2.4
397.13882	5.3
433.15958	2.2
451.11990	1.7
451.17401	19.7
453.21161	13.1
454.21432	2.7
469.18362	4.9
495.16141	5.1
513.17230	63.9
514.17731	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	513.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03438	4.0
58.00597	2.6
59.01381	56.5
59.94058	1.7
60.99300	1.9
61.98828	23.9
69.56302	4.0
69.56713	9.6
71.01387	34.3
72.99310	2.8
73.02943	2.8
80.05055	2.8
83.01369	4.7
85.02961	7.3
87.00894	9.9
89.02444	29.6
92.05061	1.9
94.06607	1.9
95.01382	4.8
98.19868	3.2
99.00871	2.5
101.02449	20.2
108.04542	4.4
109.02950	2.2
113.02482	9.9
119.03505	10.7
121.05331	6.6
122.06131	16.7
123.04519	3.9
125.02435	17.3
136.03979	3.5
136.07664	2.9
137.02464	2.2
138.05615	7.0
140.07240	1.7
148.04070	4.2
148.56291	1.9
149.04794	2.3
150.05576	4.6
151.03999	8.5
158.06067	2.3
159.12378	2.1
161.04651	3.1
165.04309	5.7
166.05098	5.8
173.08525	3.9
176.49425	1.7
184.11388	4.6
188.07127	3.3
202.12401	10.2
204.06635	8.5
216.06674	10.0
216.08734	2.5
217.07379	6.1
228.10336	2.8
229.09750	9.3
231.11351	35.7
243.11450	3.1
246.11269	14.0
253.09721	5.1
270.10236	3.5
271.10873	37.3
289.07159	3.2
328.10364	2.8
346.11414	6.9
390.10358	3.8
397.13660	7.0
408.16745	2.9
426.17676	5.0
433.16177	3.6
451.17166	36.8
452.17407	6.1
453.20145	2.9
469.18152	8.5
470.18588	1.9
495.16168	7.4
495.25226	3.2
513.17236	100.0
514.17548	12.9
527.09424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03787	4.4
55.01876	7.0
59.01377	48.0
61.98835	78.2
69.45148	42.3
69.64206	4.5
71.01379	51.9
73.02934	21.1
77.04147	4.3
82.00743	4.7
83.01386	16.8
85.02950	31.1
87.00842	5.8
89.02438	13.6
97.02982	5.5
99.00880	4.8
101.02458	46.8
113.02433	20.0
119.66892	4.2
125.02412	19.1
161.04546	13.3
168.00581	10.8
205.12315	6.5
233.19104	4.3
321.19189	100.0
322.19681	7.2
453.23395	67.5
513.14807	6.5
513.21332	19.9
533.04407	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	513.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
58.00586	1.5
59.01099	2.2
59.01381	43.3
61.98841	9.9
65.92727	1.3
67.14823	1.2
69.44240	5.3
69.44662	4.2
71.01386	28.1
72.99316	2.5
73.02941	1.3
80.05058	3.1
81.60165	1.3
83.01364	2.1
85.02957	8.0
87.00851	6.6
89.02450	24.4
95.01357	2.8
99.00861	2.3
101.02451	18.2
108.04575	2.8
113.02444	8.9
119.03506	10.8
120.04549	1.6
121.05351	6.5
122.06133	13.0
123.03212	1.5
123.04513	2.3
125.02438	4.3
129.39427	1.1
131.03603	1.1
136.04085	1.7
137.02469	1.2
138.05624	6.8
140.07190	1.8
144.08160	1.5
148.04002	3.5
149.04790	3.9
150.05649	6.0
151.03964	1.6
155.01828	1.2
158.06160	1.5
159.06906	1.8
160.11353	1.3
161.04482	1.4
165.04253	4.1
166.05067	6.4
172.11201	1.5
173.08406	2.7
174.05595	1.4
174.09261	2.0
174.12837	2.5
179.05568	2.4
184.11270	5.0
188.07149	3.4
202.08774	1.9
202.12347	9.4
203.12621	1.4
204.06609	7.1
204.10141	1.7
213.06680	1.5
216.06615	6.1
216.08812	2.3
217.07404	4.4
218.08156	2.9
228.10304	3.5
229.09749	9.1
231.09108	1.8
231.11353	26.5
232.11667	1.9
243.11391	3.1
246.11319	15.0
253.09843	3.7
255.11345	1.5
270.10153	4.3
271.10861	33.8
272.11627	1.7
275.98236	1.3
289.07089	2.1
312.10892	1.3
328.10330	3.4
346.11469	5.1
390.10416	2.6
397.13855	5.4
426.17923	3.2
433.16187	1.8
451.17252	34.9
452.17065	3.9
469.18420	6.6
470.17517	1.8
495.16071	8.8
496.16791	2.4
511.83282	1.5
513.17212	100.0
514.17651	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	512.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21753	0.7
57.03452	1.0
59.01389	8.0
61.98836	100.0
71.01394	3.3
71.63895	0.9
72.35305	0.8
73.02975	1.6
75.00881	2.3
83.05041	0.8
85.02961	1.7
89.02463	2.6
97.06633	0.7
101.02437	3.1
113.02439	1.5
119.03515	1.3
123.04556	1.2
125.02460	1.3
127.03999	1.5
143.77872	0.8
158.44916	0.7
161.04633	1.1
168.00645	1.1
176.17007	0.7
178.68837	0.7
179.03311	0.7
180.52371	0.9
183.31168	0.8
452.26254	1.3
512.26813	2.8
513.18903	0.8
513.27783	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	513.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
59.01382	7.6
61.98832	37.9
68.99786	0.6
69.03439	2.9
69.48590	4.0
70.31416	0.5
71.01385	5.6
72.99287	0.7
73.02945	2.0
75.00879	1.5
79.01882	0.6
81.03471	1.0
83.01382	1.9
83.05019	0.7
85.02950	2.4
87.00847	0.6
87.04515	1.4
87.96988	0.5
89.02461	3.5
95.01379	1.2
97.02950	4.0
98.19822	0.5
99.00863	0.9
99.04517	1.2
101.02468	3.6
107.01360	1.4
108.02188	0.9
109.02905	1.0
113.02466	2.0
119.03449	0.7
121.02969	1.0
123.00883	6.8
123.04501	1.4
123.08207	0.6
124.01662	19.5
125.02450	38.8
126.02773	1.1
136.01569	0.5
137.02428	2.4
137.09723	2.8
139.03996	0.8
143.10754	1.3
144.11147	0.9
146.44290	0.5
149.99593	26.1
150.06900	1.5
151.00314	2.3
152.01106	0.9
155.10785	8.7
161.04558	0.8
167.03500	1.4
168.00644	55.6
169.01411	7.8
171.10196	0.7
171.86835	0.5
179.03476	0.9
179.05458	0.6
179.10760	2.4
199.09726	2.1
204.78931	0.6
270.28320	0.7
307.11798	1.7
313.05789	0.6
333.20459	0.9
350.20844	0.7
351.21689	2.7
407.02454	0.6
418.09525	0.6
423.94452	0.6
455.36673	0.6
469.17322	1.4
513.16095	100.0
513.27448	5.1
514.16486	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	511.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76558	1.8
55.01870	3.7
57.03431	5.5
59.01096	3.0
59.01383	57.6
61.98836	83.0
68.02530	7.4
68.99796	2.2
69.90717	11.1
70.87153	1.8
71.01388	52.6
72.99316	4.7
73.02948	20.2
74.94698	1.9
83.01386	10.1
83.05029	3.2
85.02946	26.3
87.00900	4.6
89.02446	18.1
95.01357	4.7
97.02927	2.3
99.00881	10.6
101.02448	43.9
111.00893	3.4
113.02454	22.0
119.03487	4.8
123.04454	3.3
125.02434	3.7
131.03494	19.1
143.03546	4.1
149.04634	2.1
149.06096	2.4
159.02927	3.2
161.04556	15.0
166.02684	7.1
168.67999	2.4
180.82529	2.0
181.05057	4.4
191.01125	1.9
201.21394	2.1
215.64215	2.4
267.12170	3.1
280.71783	2.0
281.13791	2.6
301.03439	2.9
319.21246	100.0
320.21518	4.9
379.20990	4.8
448.09601	2.9
451.25531	55.6
452.26257	3.1
493.26602	2.4
511.25867	46.6
512.26135	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	511.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03443	5.2
59.01386	30.1
61.98521	1.7
61.98831	21.8
66.33128	1.5
69.03452	1.3
69.89807	7.6
71.01390	39.6
71.61642	1.5
72.99310	2.1
73.02950	13.7
75.00885	1.5
82.23105	1.2
83.01399	9.5
85.02958	23.2
86.00108	2.2
87.00897	1.5
89.02431	6.7
93.33476	1.6
95.01382	2.7
98.19942	2.1
99.00897	6.1
101.02450	40.1
105.19727	1.3
111.00866	2.3
113.02447	17.0
125.02427	2.3
129.01964	1.7
131.03535	1.7
134.93611	1.3
159.03065	1.6
161.04579	9.3
319.21259	100.0
320.21500	8.8
451.25494	50.0
452.25870	3.9
511.27255	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
57.03444	3.6
59.01378	42.8
61.98829	100.0
69.34133	9.0
69.34559	4.7
71.01389	23.5
72.99323	3.2
73.02955	9.2
78.58196	1.4
78.95900	6.7
80.34377	1.2
83.01401	6.8
85.02946	10.0
87.00874	2.7
89.02451	7.9
93.03477	1.7
95.01409	2.5
95.05064	1.5
96.95958	1.7
97.06580	1.8
99.00890	4.4
99.26260	1.3
101.02451	27.1
109.02974	1.7
111.04507	1.7
113.02442	7.4
119.03478	1.9
121.06586	2.5
123.04491	2.5
125.02444	2.2
135.08136	1.6
149.06131	2.4
159.03032	1.6
161.04636	6.2
163.11307	1.3
171.10350	2.3
175.11243	1.8
189.09137	1.4
203.10820	1.8
209.11832	5.7
219.14012	1.7
228.07927	2.0
235.03926	1.6
245.91438	1.4
261.09482	21.8
262.09921	2.3
265.14407	2.0
301.03571	1.6
305.19693	32.5
306.19962	3.6
319.21194	7.0
330.39230	1.5
343.24283	1.8
346.69626	1.4
349.20056	4.2
398.74997	1.3
431.26215	1.4
448.26132	2.9
451.25494	48.5
452.25687	4.6
465.26398	2.6
467.27774	1.2
511.27505	19.1
512.27405	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	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
59.01373	3.9
61.98832	42.0
71.01390	4.4
71.45422	1.0
72.99328	1.0
75.00876	0.8
79.95742	2.2
81.12386	0.6
85.02938	1.3
89.02459	2.3
96.96064	0.6
99.00883	0.8
99.43514	0.6
101.02451	3.2
105.01944	1.3
105.59326	0.5
107.05036	1.4
113.02444	1.0
119.05037	2.0
121.02960	0.6
123.04534	1.0
125.02430	1.9
134.03694	0.9
135.04515	6.9
136.01649	4.5
137.02435	0.7
143.03551	0.7
149.02361	0.7
151.03983	4.0
153.01865	0.8
161.04474	0.8
162.05598	6.8
163.04030	4.4
163.06087	1.2
164.04758	0.7
166.02716	0.9
167.03568	0.8
179.05608	0.6
181.05069	14.2
200.04768	2.7
211.03993	1.5
227.03542	2.3
228.04285	8.7
239.03413	0.9
243.06575	2.5
256.03784	10.6
257.04065	1.2
271.06110	60.2
272.06485	5.0
286.08438	41.2
286.10846	2.0
287.08813	2.4
301.10800	100.0
302.11087	7.8
349.12918	24.8
349.17273	1.0
350.13235	2.3
374.90967	0.7
448.16010	3.5
500.57901	0.6
511.11209	21.0
511.18790	1.6
512.11414	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	511.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.9
61.98835	39.7
63.99253	1.1
66.22234	0.5
69.03472	3.1
69.36909	3.1
69.37342	2.8
71.01408	3.9
73.02930	1.0
75.00884	0.8
79.01913	0.7
81.03455	0.7
83.01402	1.3
84.61818	0.6
85.02953	2.3
86.15353	0.6
89.02441	3.0
95.01379	1.9
97.02953	2.5
99.00887	0.7
101.02433	3.0
107.01397	1.6
108.02162	0.6
109.02956	1.2
109.06647	0.7
113.02494	1.8
115.71583	0.6
119.03540	1.4
123.00903	7.3
123.04430	0.8
124.01678	22.3
125.02455	54.6
126.02774	1.5
136.01607	0.8
137.02463	3.2
139.00462	0.7
149.99586	28.5
151.00366	5.8
161.04642	0.7
163.03964	1.5
167.03543	0.9
168.00648	55.3
169.01436	6.6
193.79358	0.8
197.11911	0.8
233.33636	0.6
239.11098	0.7
262.82559	0.8
313.05582	1.7
331.19202	0.8
492.16876	0.7
511.18256	100.0
511.25250	5.4
512.18573	12.4
512.25574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42252	0.3
59.01388	1.6
61.98833	100.0
63.08227	0.2
69.03458	0.5
71.01386	1.0
71.63312	0.4
73.02956	0.3
83.01391	0.4
85.02981	0.5
87.00884	0.2
88.98833	0.3
89.02444	0.3
93.03466	0.4
95.01430	0.3
96.96031	0.4
97.02990	0.5
101.02479	0.7
105.08561	0.2
108.08267	0.3
109.03025	0.3
113.02448	0.3
123.00908	1.1
124.01667	2.7
125.02454	8.2
137.02455	0.7
149.99585	3.6
151.00420	1.1
167.03563	0.4
168.00645	7.2
169.01456	0.9
225.00845	0.3
240.84563	0.3
255.03128	0.5
263.23376	0.3
271.02472	1.2
300.02740	2.6
301.03510	1.7
313.05713	0.4
327.05524	0.3
331.06879	1.1
332.57840	0.3
447.09335	4.1
448.09885	0.3
466.13696	0.5
478.16476	0.4
510.12402	1.8
510.24265	0.5
511.14362	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	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68968	0.5
56.77703	0.5
59.01394	0.7
61.98837	100.0
69.39977	3.0
69.40389	1.2
96.75884	0.5
98.20641	1.2
101.02463	0.8
118.95591	0.5
158.68829	0.5
300.02890	0.8
415.65488	0.5
485.12793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20717	0.3
59.01387	0.4
61.46626	0.3
61.55102	0.3
61.98834	100.0
63.22178	0.3
65.67741	0.3
71.46158	0.6
241.83020	0.4
333.85757	0.4
447.09836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94244	0.6
52.29231	0.6
55.23030	0.6
59.01379	1.3
59.88308	0.6
60.19245	0.6
61.98829	3.5
69.39827	5.5
70.64408	0.6
78.95909	20.7
96.96995	1.0
149.02367	0.7
152.99619	9.3
186.13173	0.7
198.05519	0.8
254.07988	5.7
255.23303	100.0
256.23639	8.0
272.09167	1.4
330.48184	0.7
336.02280	0.7
447.09103	1.3
451.15265	0.6
510.32047	46.7
511.26120	1.4
511.32910	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	511.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01379	6.6
61.98833	51.5
62.60841	0.6
62.98539	0.7
68.39250	0.6
69.03450	3.6
70.12980	0.7
71.01390	4.0
72.99272	0.8
73.02925	2.2
75.81348	0.5
77.73131	0.7
81.03449	1.4
83.01386	2.7
85.02959	3.1
87.00871	0.9
88.98795	1.1
89.02431	2.7
93.03439	0.7
95.01373	2.1
97.02959	3.4
98.19836	1.5
101.02454	3.4
107.01400	1.8
108.02177	1.5
108.18437	0.6
109.02936	1.7
113.02426	1.3
119.03484	1.5
121.02898	1.2
123.00898	7.8
123.04511	0.9
124.01665	19.4
125.02452	59.8
126.02753	1.8
135.04553	0.8
135.08206	0.8
137.02458	4.1
137.09647	0.9
143.03300	0.6
149.02390	0.5
149.99586	29.2
151.00398	3.0
151.03993	1.0
152.01099	0.7
153.09181	2.1
155.10828	0.6
161.04555	1.1
163.67641	0.6
167.03465	1.7
168.00644	57.7
169.01424	7.2
175.03807	0.6
178.80392	0.6
191.03452	0.7
205.05037	0.7
206.32797	0.6
245.52863	0.7
245.69051	0.6
253.30302	0.6
261.11331	1.1
270.60638	0.6
272.02692	0.8
277.11700	0.7
300.02591	0.7
301.03091	1.1
302.03754	0.7
313.05643	1.2
331.06900	1.3
349.22214	1.0
448.09604	2.6
467.15540	1.0
511.14468	100.0
512.14825	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76491	1.4
61.98829	10.0
63.65958	1.5
71.54797	1.3
81.20220	1.4
94.55905	1.5
107.01377	2.7
112.34178	1.4
135.00873	1.9
147.33121	1.5
151.00346	10.3
163.00342	3.3
178.99855	6.6
211.03879	1.7
227.03563	2.7
243.03003	6.2
245.04605	2.3
254.02208	1.9
255.03000	14.8
271.02496	26.4
272.03033	3.2
300.02762	65.1
301.03506	46.5
302.03909	2.7
445.13364	1.7
447.09344	100.0
448.09686	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	6.0
69.64005	4.2
69.64415	2.4
84.03642	1.0
85.19669	1.1
99.15567	1.0
119.05050	1.5
121.03001	1.4
125.02464	2.3
133.02936	9.2
149.98845	1.1
153.28764	1.4
163.00296	1.4
163.03998	2.0
165.01811	1.2
167.03481	1.1
175.03946	2.7
191.03516	1.8
201.01927	1.4
213.05492	1.5
241.04950	1.5
284.03238	10.8
285.04108	6.0
297.04062	15.8
297.07193	2.0
298.04758	9.6
299.05624	15.7
311.05536	2.3
327.05084	100.0
328.05548	7.9
339.05008	2.2
357.06177	26.4
358.06213	1.3
369.06067	3.4
414.18005	1.1
447.09311	87.1
448.09753	8.6
521.53943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86380	2.5
59.01373	6.7
61.98832	100.0
67.32247	2.0
101.02450	4.4
106.48409	2.0
137.02422	2.0
161.11681	1.9
227.03519	34.7
255.02965	44.5
256.03494	6.6
284.03265	47.7
285.03964	16.9
447.09329	96.1
448.09647	10.6
509.29047	4.1
510.14621	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	509.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22748	0.8
57.03444	2.1
59.01381	29.3
59.86401	0.9
61.98813	2.8
65.07443	0.8
68.99567	5.1
70.74967	1.0
71.30637	1.2
72.99292	1.0
78.95907	30.0
79.05536	1.0
92.54018	0.8
93.03467	1.6
96.96967	2.7
101.03991	1.7
111.04488	1.5
115.92033	0.9
117.03509	1.0
121.04594	7.4
121.06579	0.9
122.03732	3.3
123.00871	1.0
123.04514	3.5
135.04509	3.8
137.04089	1.7
139.07683	5.5
141.05231	6.8
145.02783	0.9
152.99586	31.1
153.00632	1.5
153.05533	2.4
154.02774	1.7
157.07774	0.8
165.03548	3.5
170.72704	0.8
171.00758	1.2
178.88414	2.6
179.89195	1.7
180.90012	3.0
181.08682	1.8
182.85532	1.0
185.04192	3.3
190.02444	1.3
196.89484	46.5
197.89392	2.0
205.04799	29.2
206.05173	1.7
227.03210	4.4
236.12300	0.9
241.02499	7.9
242.02611	1.0
243.43750	0.9
245.04176	1.0
258.03998	2.8
265.25290	1.3
281.24857	100.0
282.25186	8.7
339.28970	3.9
377.34091	2.4
387.32748	1.1
405.33707	41.4
406.34036	4.4
423.34811	9.9
426.07724	1.1
449.32632	8.8
465.35889	1.7
482.06024	1.9
509.07324	15.4
509.15906	3.2
509.28793	52.7
510.07706	1.9
510.29211	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55506	0.4
57.03450	0.9
59.01384	7.1
61.98833	20.0
63.02408	0.9
69.03454	1.0
69.48779	3.3
71.01393	5.8
72.99290	0.6
73.02948	1.7
81.03462	0.6
83.01397	1.6
85.02969	1.3
87.00883	0.8
89.02467	3.3
94.02997	2.2
95.01399	1.0
96.67332	0.5
97.02950	0.6
98.19836	0.5
99.00869	1.0
99.04494	0.6
101.02452	2.6
107.01395	1.5
109.02962	1.3
111.00865	0.6
113.02467	1.8
119.03484	0.8
121.02953	2.3
123.00914	2.0
124.01668	4.7
125.02460	11.7
131.03500	0.7
133.02943	2.8
137.02460	4.3
138.01988	2.2
138.03177	1.3
139.03696	0.4
141.01898	0.6
145.12593	0.5
149.02473	1.0
149.04559	1.1
149.99586	8.6
151.00391	3.6
151.03979	0.8
153.05573	0.8
156.00620	2.3
161.04536	1.2
163.03998	1.4
165.05554	1.0
168.00647	13.4
169.01476	0.7
175.04013	1.3
181.05089	1.5
194.05858	0.5
197.04555	0.9
199.04013	1.3
204.60269	0.5
215.03688	0.5
217.05089	0.7
227.03467	0.8
256.03812	2.3
257.04501	0.5
284.00845	0.7
284.03278	45.1
285.04050	93.4
286.04419	7.1
297.03961	0.7
317.16248	0.6
319.17688	1.3
327.05069	3.1
345.13214	0.6
362.14075	0.5
363.14114	0.8
377.16110	1.0
378.16483	0.9
447.09341	100.0
448.09665	10.5
449.20236	0.7
450.20807	0.5
451.21866	3.3
451.32855	1.6
509.20386	6.8
509.29645	1.5
510.20526	11.4
511.10910	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
56.24398	0.5
57.03455	2.4
58.00603	0.6
59.01095	0.7
59.01385	16.2
61.98835	49.6
69.03465	0.5
70.06454	1.6
70.06843	0.9
71.01389	13.0
72.99311	1.9
73.02949	3.8
75.00871	1.2
80.91681	0.5
81.03472	0.7
83.01395	1.9
85.02959	4.6
87.00880	2.7
88.98811	0.8
89.02453	5.4
93.03449	0.7
95.01378	1.2
97.02931	0.8
98.19921	0.7
99.00882	1.3
99.04528	0.9
101.02449	8.6
103.04021	0.7
107.01372	0.6
108.02155	0.5
109.02947	2.5
111.00875	0.8
113.02467	3.9
119.03491	2.2
119.05026	1.5
121.02950	2.1
123.00887	0.6
123.04525	0.7
124.01656	0.8
125.02438	3.0
125.09751	0.9
127.11281	1.5
136.04033	0.6
137.02455	1.4
139.03984	1.2
141.01131	5.4
141.09171	0.8
149.02541	0.7
149.99554	0.6
151.00363	2.3
151.04076	0.5
152.01176	0.8
153.09235	0.6
155.10797	0.6
157.12373	0.5
161.02486	0.8
161.04558	1.0
163.00424	0.6
163.06175	1.4
168.00655	1.0
169.00980	0.5
171.10274	2.1
175.02516	0.8
178.99855	1.1
191.03435	0.5
199.13416	2.0
199.90608	0.7
201.11375	3.7
201.90428	0.6
202.11610	0.5
203.10718	0.6
205.04982	0.6
215.07133	1.9
215.12860	2.2
217.14508	0.5
227.03589	0.8
243.02960	3.4
244.10133	0.5
245.04663	0.7
255.03032	4.2
257.04532	1.1
258.03757	0.5
271.02493	7.9
271.05426	1.0
275.96744	0.6
279.68396	0.5
283.02521	0.6
284.03183	0.9
285.04123	2.0
297.04175	0.9
300.02759	15.2
300.06015	1.0
301.03577	10.1
307.10468	0.9
311.22278	0.8
314.04254	3.6
327.05087	3.5
329.23370	6.5
347.24396	16.6
348.24774	1.5
357.05716	0.8
369.05963	0.9
446.16727	0.8
447.09341	33.5
449.27463	0.6
491.28787	3.8
509.11444	2.1
509.29721	100.0
510.23257	0.7
510.30060	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03445	0.7
58.00585	0.4
59.01379	6.6
61.98829	3.8
69.03453	0.7
69.39677	1.0
69.40101	0.5
71.01383	11.7
72.01748	0.3
72.99306	0.5
73.02949	5.4
75.00861	0.7
81.03458	0.3
83.01384	1.9
85.02952	5.6
87.00890	1.2
87.04514	100.0
88.04851	1.8
89.02446	3.5
95.01384	0.7
97.02937	0.9
98.20617	0.3
99.00880	2.8
99.04473	0.2
101.02443	8.7
109.02936	0.3
111.00876	0.4
113.02444	3.4
115.04002	0.9
119.03493	0.2
123.04498	0.2
125.02453	1.5
129.01942	0.3
131.03516	1.0
143.03516	0.4
145.12341	0.3
149.04552	0.6
159.03011	0.5
161.04553	2.8
162.04964	0.2
189.45607	0.2
191.05617	0.4
205.07207	0.3
230.73256	0.2
233.06631	1.5
271.02570	0.3
275.07721	0.2
289.07104	0.2
289.16650	0.9
292.15729	0.2
293.08890	0.4
300.02841	0.4
307.17569	0.6
317.19730	2.2
339.22488	0.2
377.21674	5.3
378.22064	0.5
421.20718	4.3
422.21194	0.4
439.21735	0.6
447.09479	0.8
449.23883	2.1
460.70865	0.2
509.25983	26.5
510.26416	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	509.2884
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.96834	0.4
59.41876	0.4
69.61030	3.1
69.61442	0.8
72.41256	0.4
72.67723	0.4
74.22028	0.4
78.95907	17.7
78.96367	1.0
84.64862	0.4
91.24458	0.5
93.56913	0.4
93.71696	0.4
96.96969	1.1
121.52125	0.4
152.99591	31.3
156.96477	0.5
171.00615	1.7
227.03290	3.7
245.04350	0.6
254.93520	0.4
281.24847	100.0
282.25232	8.2
282.28296	0.5
417.24152	0.9
509.28836	51.6
510.29218	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37003	0.1
55.01886	1.2
57.03454	1.0
57.03689	0.1
58.00591	0.3
59.01386	6.1
61.98834	3.7
69.03452	0.6
71.01385	11.8
72.99301	0.7
73.02953	5.0
75.00877	0.4
81.03434	0.2
83.01391	1.9
83.05048	0.2
84.02158	0.2
85.02954	4.9
87.00903	0.9
87.04519	100.0
88.04859	1.8
89.02455	2.9
90.41864	0.1
93.03452	0.3
95.01376	0.7
95.05024	0.2
97.02946	0.8
99.00885	2.5
99.04530	0.2
101.02448	7.7
111.00887	0.4
113.02457	3.7
115.04002	0.8
117.54050	0.1
119.03519	0.2
123.04580	0.1
125.02460	1.3
129.02054	0.2
131.03506	1.0
135.04504	0.2
137.02444	0.3
141.05536	0.1
143.03517	0.7
145.12352	0.3
149.04556	0.7
159.02974	0.6
161.04567	2.5
167.03458	0.2
180.34505	0.2
191.05684	0.4
201.09227	0.2
205.03514	0.2
205.07062	0.2
215.05586	0.2
233.06609	1.1
275.07492	0.2
289.16528	1.2
293.08817	0.4
300.02783	0.5
301.03549	0.3
307.17685	0.7
309.30444	0.1
317.19666	2.0
318.20038	0.2
327.04944	0.2
377.21735	5.0
377.25522	0.4
378.22162	0.4
421.20804	3.8
422.21210	0.2
439.21786	0.4
447.09460	0.5
449.23984	1.3
509.26007	21.6
510.26422	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	509.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79276	1.3
57.03453	1.2
59.01386	11.0
59.81797	1.3
60.99311	18.1
61.98832	48.0
71.01377	7.6
72.99302	1.9
73.02907	2.0
74.99091	2.1
75.00877	1.3
77.03236	1.2
85.02950	2.1
87.00861	3.8
88.00395	2.5
88.98808	100.0
89.01903	2.6
89.02444	34.8
89.96394	1.2
90.01977	1.9
91.54366	1.2
96.96964	1.9
98.72890	1.4
99.04507	1.7
101.02428	4.4
108.02162	3.1
109.02956	2.3
113.02418	2.3
118.98054	1.4
118.99871	1.4
119.03525	2.5
125.02432	1.5
152.01123	3.2
163.00340	1.3
163.04004	1.5
170.02040	1.2
183.60849	1.3
249.14427	1.4
347.12518	2.2
449.24020	1.5
509.12149	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	509.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96686	0.4
57.03451	1.2
58.22996	0.4
59.01382	2.6
61.98830	100.0
62.07641	0.3
65.48293	0.4
69.53548	2.9
70.15356	0.4
71.01387	1.1
73.02943	0.7
89.02480	0.8
99.04552	0.9
101.02451	1.6
113.02428	0.6
125.02480	0.7
138.05595	1.0
139.05991	0.8
139.38547	0.4
347.16992	0.6
365.18152	1.1
442.01492	0.4
449.17169	0.5
463.22098	0.7
509.22461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1662
Annotation	Plumerubroside
Peak:m/z	Relative Intensity
58.07414	0.4
59.01381	4.8
61.98833	34.2
69.03457	2.9
71.01392	3.5
71.05019	1.0
72.99303	0.6
73.02935	0.8
81.03444	1.3
83.01388	1.3
85.02934	1.7
87.00855	0.5
89.02444	1.4
90.02775	0.5
93.03443	0.7
95.01392	1.6
97.02951	3.4
101.02480	3.0
107.01374	1.3
108.02169	0.8
109.02937	1.2
113.02426	1.0
120.70963	0.4
121.02965	0.7
123.00888	6.3
123.04475	0.8
124.01672	17.0
124.06172	0.4
125.02452	48.9
126.02792	1.2
136.01625	0.6
137.02434	3.9
139.04044	0.5
149.99590	31.8
150.06789	0.4
151.00397	2.8
151.11299	1.1
161.02393	0.6
161.04544	0.7
165.02008	0.7
167.03413	1.0
168.00645	54.1
169.01398	4.7
179.03491	0.5
179.31995	0.4
195.10280	1.4
223.74580	0.5
255.02991	0.9
259.04285	1.3
271.02493	0.5
284.03271	1.1
285.03842	0.7
290.84940	0.4
300.02710	0.7
301.03372	0.6
303.18216	0.5
313.05615	1.1
331.06631	0.8
364.74295	0.5
382.94287	0.4
438.11594	0.6
447.09302	1.9
449.23755	1.8
473.10794	2.0
491.15424	2.0
508.32004	1.2
509.16620	100.0
510.16888	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	509.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29646	0.3
57.03453	1.7
59.01381	2.3
61.98835	100.0
69.57969	1.3
71.01385	1.6
73.02963	0.6
81.14233	0.3
85.02953	0.3
89.02460	1.0
99.04537	1.1
101.02453	1.3
107.87540	0.3
113.02500	0.6
119.03509	0.4
124.95264	0.3
125.02473	1.0
138.01991	0.5
139.02327	0.4
161.04584	0.3
179.05692	0.4
255.25055	0.3
268.71176	0.3
347.17087	0.4
365.18198	0.9
461.13092	0.3
478.14352	0.3
509.22998	1.4
539.53400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98836	100.0
65.11231	0.4
68.61665	0.4
69.58356	3.2
71.01389	0.9
73.02945	0.4
73.32518	0.5
97.14087	0.5
101.02470	1.1
112.03733	0.4
133.52171	0.4
137.02528	0.5
217.92015	0.4
244.01886	0.5
303.47006	0.5
448.22470	2.3
482.10626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34534	0.4
59.01377	10.7
61.98828	6.6
69.51324	1.0
69.51743	2.1
71.01391	2.5
73.02937	1.4
76.89078	0.4
81.03454	0.5
83.59660	0.4
85.02934	1.1
88.98795	0.8
89.02431	2.4
89.98093	0.4
94.94524	0.4
97.02957	0.6
98.19915	0.8
99.04505	0.7
101.02451	3.0
103.04011	3.6
113.02429	0.6
119.03509	1.7
125.02461	3.7
139.04010	0.5
140.07178	100.0
141.07520	3.0
145.05049	0.7
163.06128	4.5
205.07159	0.5
247.08302	0.5
307.10403	6.8
339.68475	0.4
448.18124	4.1
509.22623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99178	0.4
59.01398	1.3
59.09258	0.3
61.98838	100.0
67.76382	0.4
69.36270	2.1
69.36697	1.5
71.01389	1.1
72.07704	0.4
73.02946	0.6
85.02984	0.5
87.00913	0.4
89.02437	0.6
100.75116	0.4
101.02457	1.3
125.02449	0.7
132.28427	0.4
149.04623	0.4
159.50786	0.4
195.79819	0.4
295.04877	0.4
310.52460	0.4
376.24698	1.0
508.28607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69053	0.4
50.87282	0.3
59.01378	4.3
60.01721	0.5
61.01789	0.5
61.98832	100.0
63.99258	0.8
66.83866	0.4
71.01377	4.0
71.62786	0.6
72.01714	0.5
73.02946	1.2
74.03298	0.4
75.00848	0.6
75.19460	0.4
83.56970	0.4
85.02966	1.5
85.58292	0.4
88.98804	0.4
89.02448	4.0
91.02888	0.6
93.03456	0.4
99.00886	1.3
101.01337	0.4
101.02425	3.1
102.02793	0.7
103.02848	0.5
104.63785	0.4
107.68623	0.4
108.02197	0.5
113.02448	1.0
114.88550	0.4
119.03506	0.7
125.02491	0.5
131.03537	0.5
149.02472	0.8
149.04529	1.8
150.04883	0.6
151.05020	0.8
161.04561	1.3
167.98859	0.8
186.44066	0.4
259.04321	2.8
264.64575	0.4
295.22849	1.2
329.21442	1.8
347.22614	0.7
421.26392	1.1
448.22760	1.6
508.27625	3.5
509.24677	0.6
531.94714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2808
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
50.66563	0.3
52.70570	0.4
55.01875	3.4
57.03445	2.8
58.00588	1.4
59.01381	21.1
60.01719	0.4
61.98831	3.3
69.03469	0.9
69.46357	2.3
69.46767	0.6
71.01384	39.4
72.01708	0.4
72.99315	1.7
73.01579	0.3
73.02947	19.8
75.00871	1.7
83.01389	8.5
85.02952	21.4
86.00090	1.1
87.00864	2.9
89.02448	9.7
92.06297	0.4
93.03410	0.4
95.01411	2.9
97.02929	2.1
98.08679	0.4
99.00880	7.8
99.04483	0.5
101.02445	34.2
101.64918	0.4
102.02785	0.8
111.00874	1.3
111.77437	0.4
113.02452	15.6
115.04025	1.5
118.98051	0.3
119.03494	0.9
121.02940	0.4
123.04508	0.6
125.02449	3.5
127.04049	0.3
129.01924	1.0
131.03510	2.5
141.01897	0.4
142.46669	0.3
143.03494	2.1
149.04567	2.0
159.02991	3.0
161.04556	15.0
191.05603	0.6
205.03424	0.4
233.06647	2.3
241.14284	0.4
247.47076	0.3
293.08810	1.4
375.23862	40.5
376.24258	3.7
387.50623	0.4
419.22711	1.1
421.67200	0.4
497.53995	0.4
507.28094	100.0
508.28397	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	507.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01380	1.3
57.03453	28.6
59.01377	4.6
61.98812	2.1
69.03466	4.5
71.62978	1.7
73.02964	1.4
78.14514	1.2
78.95916	3.3
81.03459	6.7
83.05010	1.7
92.29464	1.4
96.96017	2.1
99.04527	11.1
115.66792	1.5
125.09724	11.4
152.99649	2.0
153.12856	1.4
163.11243	1.6
165.12862	26.8
166.13217	1.4
179.14467	2.7
189.12892	1.7
196.89507	3.4
197.15521	2.0
205.16052	3.2
217.15967	4.9
221.15421	2.1
226.90703	1.3
235.17049	18.9
237.14973	1.8
245.04343	3.0
253.18097	100.0
254.18437	6.4
271.19067	7.1
279.23181	1.7
297.17065	9.8
450.17551	1.3
507.37216	17.1
508.37003	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	507.2612
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
57.03446	2.6
58.89027	1.5
59.01389	22.7
61.98836	37.4
71.01367	2.0
71.05041	2.1
71.63475	1.9
73.04089	2.2
75.00887	2.3
80.09858	1.5
83.05035	2.7
85.02995	2.1
86.79029	1.6
93.03451	2.6
97.06614	1.8
107.05093	1.8
113.07258	1.6
115.08821	3.8
118.06607	2.1
119.05019	16.2
121.06628	4.4
123.04537	3.6
125.07246	3.1
126.05650	2.2
126.62868	1.5
135.08150	1.9
137.07193	3.6
141.06709	4.2
145.02991	6.5
146.06151	4.8
149.06021	1.9
153.06622	2.8
154.09930	1.7
155.08273	2.4
162.05635	2.9
163.04039	7.3
163.07668	2.2
170.09375	4.8
172.10927	11.5
179.08392	1.8
189.09302	1.7
197.09700	2.3
199.11270	2.8
203.08354	3.1
214.15623	5.7
228.10291	1.9
229.08800	2.3
245.13242	4.2
261.11343	4.0
262.15634	6.1
269.17865	2.2
401.21851	27.7
402.22397	2.4
427.22961	2.9
445.23724	6.8
463.25342	4.9
507.26102	100.0
508.26535	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
66.35230	0.4
70.39134	1.1
70.39534	1.1
71.36806	0.4
75.60363	0.4
78.95904	23.3
96.96960	1.7
142.84087	0.5
150.97905	0.5
152.99588	34.2
153.99960	0.6
171.00621	1.5
177.71056	0.5
180.81358	0.5
189.12686	0.5
216.49429	0.5
225.47992	0.5
227.03215	5.1
245.04367	1.1
279.23285	100.0
280.23651	8.3
415.22534	0.7
507.27246	58.0
508.27554	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	506.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89172	1.3
57.03440	2.7
59.01373	1.6
61.98834	100.0
71.30227	2.0
71.30566	2.4
78.95883	6.4
96.95997	1.5
98.06952	1.3
99.04516	1.9
110.98554	6.4
152.99532	2.3
165.12837	3.3
185.02193	8.9
235.17085	4.4
253.18071	9.9
253.21799	2.6
255.23326	1.7
269.99854	1.5
309.28238	2.8
421.23474	1.6
506.21393	3.0
507.37173	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	506.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78022	0.5
61.71624	0.4
61.98833	100.0
69.61818	3.1
78.95918	0.5
96.96033	0.5
174.95238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49494	0.8
56.69098	0.7
59.01396	2.1
69.73371	3.3
69.73785	2.0
70.91842	0.9
71.01387	1.3
72.99319	0.9
73.41859	0.8
75.00871	3.8
80.47895	0.8
87.00882	23.8
98.19874	1.8
99.00893	3.7
101.02454	1.9
105.01940	23.8
111.15226	0.9
117.01959	1.4
135.03006	0.9
142.33031	0.9
147.03001	4.9
149.72330	0.8
165.04047	100.0
166.04375	3.2
198.54417	0.9
267.07053	0.9
344.52423	1.1
426.42337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01133	0.5
59.01380	5.2
61.98833	8.2
66.57331	0.4
69.03422	0.5
70.55879	0.4
71.01387	3.2
71.29315	0.4
71.62096	0.5
73.02932	0.9
74.37930	0.4
74.99069	0.5
75.00873	1.6
78.73810	0.4
83.01404	0.5
85.02937	1.2
87.00874	0.6
88.98808	0.4
89.02451	2.4
91.08035	0.4
95.03753	1.0
96.08171	0.5
98.38661	0.4
99.04506	0.5
101.02443	2.0
103.00352	1.2
104.05053	0.4
106.06642	1.6
111.00835	0.5
113.02470	1.6
115.03936	0.6
119.08117	0.4
120.99671	1.0
122.06140	1.2
123.03324	0.5
123.04521	0.5
124.07667	3.3
125.02438	1.4
132.04556	19.9
133.05344	10.5
134.06129	3.6
144.93858	0.4
146.06059	0.4
148.04036	1.6
149.04561	0.5
150.05626	1.4
151.04001	0.5
159.03017	0.5
161.04510	0.5
163.06111	0.5
165.04298	13.2
166.04724	0.6
176.03537	1.0
176.07172	0.6
177.04298	2.9
178.05048	1.4
186.09247	1.4
187.08846	0.6
198.09225	0.5
198.46022	0.4
199.08444	0.4
209.03293	3.4
213.06650	1.3
214.12361	3.1
215.11861	3.7
226.07472	0.5
227.08360	0.6
228.08972	0.4
229.09772	2.5
240.10263	1.2
241.09802	2.5
255.11438	1.4
257.12939	16.7
258.13232	1.2
268.08401	0.5
278.21429	0.4
283.10880	7.9
284.11099	0.6
301.11957	8.9
302.12323	0.8
327.09763	1.2
345.10904	100.0
346.11212	8.3
387.11935	0.9
447.18222	0.5
507.16132	8.9
508.16388	1.2
522.73779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35430	1.6
57.03425	2.0
59.01388	9.0
61.98832	19.2
66.28901	1.8
69.03442	2.4
69.58892	12.6
71.01047	1.9
71.01389	12.2
73.02923	4.1
75.80141	1.9
81.03423	1.9
83.01396	3.0
85.02938	8.0
86.65612	1.7
89.02454	4.6
95.01375	5.1
97.02934	4.5
98.20592	3.5
101.02406	8.3
113.02438	3.7
123.00861	8.2
124.00993	1.6
124.01670	18.7
125.01630	2.6
125.02462	37.0
132.02095	3.0
134.03719	5.3
137.02411	3.4
149.02354	1.9
149.98456	3.2
149.99590	32.4
151.00307	3.1
160.01648	13.3
161.04541	2.7
167.45767	1.7
168.00652	49.6
169.01350	5.4
175.04012	15.5
190.02655	5.3
193.05051	2.7
205.05052	3.7
210.40260	1.7
313.05725	2.4
331.06714	14.7
337.09204	3.2
341.15021	3.2
375.23792	5.6
489.10364	2.1
501.41586	1.8
507.11258	100.0
507.28217	27.5
508.11636	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	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11137	0.3
59.01091	0.7
59.01382	13.6
61.98834	15.0
69.52031	2.8
71.01373	2.3
73.02944	1.3
83.01377	0.7
85.02960	1.1
87.00907	0.4
89.02448	2.2
101.02446	3.1
103.04018	1.3
108.02200	0.8
109.02934	0.6
113.02445	0.7
115.04194	0.4
119.03522	1.1
123.03272	7.7
124.03538	0.3
125.02435	2.1
138.01991	11.4
138.05614	100.0
139.05942	3.4
143.03522	0.4
145.05098	0.5
159.32623	0.4
163.06075	2.0
180.06709	1.1
205.07115	0.4
230.03137	0.4
247.08141	1.0
307.10284	2.3
417.06479	0.4
446.16666	31.7
447.17093	2.9
460.70074	0.4
476.21710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67159	0.6
55.01875	1.3
57.03447	1.3
58.00625	0.6
59.01384	17.8
60.01709	1.2
61.01813	0.6
61.98834	100.0
69.03475	0.9
69.59091	4.2
71.01388	20.7
72.01710	2.9
73.02952	8.5
74.03308	0.7
78.31056	0.5
83.01418	2.0
85.02965	6.4
86.03315	0.6
87.00896	0.8
89.02450	21.9
90.02785	3.1
95.01413	0.9
97.02922	0.6
99.00896	7.9
100.01221	1.3
101.02451	16.7
102.02789	2.5
113.02457	5.6
114.02821	0.8
119.03522	1.6
125.02481	1.7
131.03529	5.3
132.03897	1.3
137.02448	0.8
143.03510	1.0
149.04550	18.1
150.04932	4.2
159.03027	0.8
159.51030	0.6
161.04543	4.2
162.04869	0.6
177.54263	0.7
191.05611	4.3
192.06032	1.7
196.48669	0.5
217.42372	0.6
251.07886	1.3
257.80359	0.6
313.15924	0.7
373.22510	1.8
374.22684	4.3
446.20822	0.8
505.26865	2.4
506.26859	16.0
506.33566	0.8
507.27243	1.7
524.39520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
61.98832	100.0
69.52144	2.2
71.01395	3.1
73.02953	0.8
73.11705	0.3
75.49017	0.3
85.02963	0.9
85.95436	0.3
87.95381	0.3
89.02465	1.0
99.00895	0.4
101.02452	2.5
113.02485	1.4
120.74634	0.3
125.02389	0.5
131.03523	1.7
137.02522	0.4
147.76941	0.3
161.04573	1.1
197.11876	0.4
289.07501	0.3
315.17972	2.3
375.27631	0.5
400.48486	0.4
446.21271	0.4
447.22684	1.2
507.28391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03451	0.8
58.00585	0.4
59.01385	18.3
60.01728	1.3
61.98836	100.0
64.99001	0.4
69.35500	3.6
69.35886	0.9
71.01385	12.3
71.16782	0.4
72.01740	1.7
72.99313	0.9
73.01802	0.5
73.02953	4.0
83.01402	1.7
85.02962	5.6
86.03303	0.6
87.00883	0.9
88.98793	0.5
89.02454	8.7
90.02800	1.2
91.02892	0.9
93.03460	3.0
95.01395	0.6
97.02975	0.8
99.00883	2.2
100.01257	0.5
101.02448	8.5
101.03072	0.6
102.02794	1.3
103.02860	0.4
103.04001	0.6
113.02474	3.4
119.03533	1.8
121.02975	0.6
125.02456	2.2
131.03552	1.3
132.03838	0.5
137.02464	8.5
137.06079	0.4
137.09851	0.4
143.03583	1.0
149.02478	0.8
149.04556	2.6
150.04944	0.9
151.05032	1.1
153.09215	0.5
159.03058	0.7
161.02469	0.8
161.04570	2.3
163.04076	0.6
163.06142	1.1
168.00735	0.8
175.00394	1.0
176.00784	0.7
179.03563	0.5
181.12350	0.5
182.12685	0.5
190.02730	1.5
191.03201	1.4
191.05688	0.6
202.86926	0.4
205.05165	1.3
205.07184	0.9
206.05420	1.1
295.48987	0.5
301.16684	3.3
305.66959	0.4
357.26532	0.7
373.18869	0.5
373.26157	1.1
374.19205	1.6
374.26440	1.0
375.27451	2.9
446.21387	0.7
447.22357	11.2
506.17538	4.3
506.23874	2.0
507.11380	1.0
507.22092	9.2
507.28360	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	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01378	2.4
60.02199	0.4
61.98835	100.0
71.01392	2.2
71.62635	0.4
73.02956	0.5
74.99131	0.3
76.94197	0.3
82.52960	0.3
83.94753	0.3
85.02959	0.5
87.00886	1.3
89.02460	1.0
97.01201	0.6
101.02457	1.4
108.02175	0.7
109.02987	0.5
113.02460	1.2
115.02278	1.0
118.98115	0.9
122.06150	0.3
125.02481	1.2
137.02444	0.6
137.56935	0.3
138.05623	2.0
151.04082	0.3
152.01207	0.6
163.00368	0.4
174.18712	0.3
187.00995	0.4
199.07933	0.5
257.12262	0.8
285.17133	0.3
313.39212	0.4
314.53876	0.4
315.07245	1.0
327.12936	0.9
447.22482	0.7
507.19577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51272	0.4
59.01382	1.9
61.98835	1.2
62.65601	0.3
63.26538	0.3
69.44300	0.9
69.44724	1.7
71.01389	0.3
89.02481	0.4
96.57710	0.3
101.02450	0.6
108.01442	0.5
108.02184	9.8
119.03559	0.3
121.07766	0.3
123.03282	0.7
124.71896	0.3
125.02489	0.4
138.01973	100.0
138.05586	9.8
139.02354	2.4
139.05904	0.5
148.21863	0.3
289.07437	0.3
329.11478	0.5
396.15213	0.3
440.48502	0.3
446.16727	2.8
506.18491	0.5
507.11591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2656
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
50.82597	0.8
52.67288	0.9
55.01881	5.1
57.03442	3.9
58.00590	2.9
59.01382	72.8
61.98832	17.8
69.03448	2.9
69.44698	5.1
69.45105	1.3
71.01386	91.0
72.99303	3.2
73.02950	35.2
75.00868	2.5
83.01395	9.9
84.02698	0.8
85.02954	31.0
87.00874	3.9
89.02448	97.4
93.03484	0.9
95.01412	4.9
97.02956	3.2
99.00887	33.0
99.04565	1.0
101.02447	76.6
111.00859	2.7
113.02451	26.4
115.04002	3.1
115.64414	0.9
119.03497	8.1
125.02454	9.1
129.01913	1.4
131.03511	26.5
137.02449	2.6
143.03467	3.8
149.04559	100.0
150.04855	2.0
159.03003	3.6
161.04564	17.5
163.96080	0.9
179.05620	1.1
181.16028	1.1
191.05609	22.4
191.07329	1.2
211.16991	3.5
221.06586	5.5
229.12183	0.9
233.06619	2.1
251.07715	9.0
281.08899	1.1
293.08765	3.4
311.09824	2.2
313.16522	5.6
367.62497	1.0
373.22290	28.6
374.22495	3.5
445.20596	4.7
505.26559	75.8
506.26776	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	505.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13449	0.3
55.01876	0.8
57.03445	1.1
58.00589	2.8
59.01379	71.5
60.01716	0.5
61.98837	3.0
64.55042	0.3
69.03463	0.8
70.13122	1.3
71.01382	57.7
72.01719	0.6
72.99308	2.7
73.02947	18.4
75.00861	0.4
83.01361	1.7
85.02954	6.5
85.03443	0.5
87.00897	2.1
89.02444	100.0
90.02781	1.3
95.01398	1.2
97.02947	1.4
98.31371	0.3
99.00883	31.7
100.01232	0.4
100.04536	0.3
101.02444	37.9
102.02775	0.6
109.06492	0.2
111.00877	0.6
113.02449	10.9
113.21831	0.3
115.04013	0.5
119.03502	6.2
125.02433	4.5
131.03508	20.0
143.03502	2.4
149.04555	74.1
150.04871	1.6
161.04562	4.0
163.04033	0.7
164.04454	0.4
178.06332	0.8
179.05452	1.4
179.06935	0.6
191.05609	16.0
192.06059	0.6
209.06412	0.3
210.74352	0.3
221.06631	4.1
235.27405	0.3
243.02911	0.4
251.07715	5.5
255.03003	1.4
265.14590	0.4
271.02512	2.5
275.07748	0.5
281.08679	0.4
293.08746	1.2
300.02777	4.0
301.03455	1.5
311.09879	1.0
313.09082	0.5
327.11182	0.9
328.11420	1.0
342.13431	1.6
343.13809	4.1
358.18008	0.3
373.22318	1.3
458.77463	0.3
505.10089	2.4
505.26566	17.9
506.27060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.9
57.03435	2.9
59.01379	78.9
61.98830	15.4
69.03415	2.0
69.39189	5.9
69.39598	13.1
71.01382	71.8
72.99315	3.0
73.02944	19.2
83.01369	10.8
85.02944	26.4
87.00872	4.3
89.02452	49.8
95.01382	4.8
98.19835	4.4
99.00874	7.8
101.02450	55.6
113.02460	21.8
119.03471	9.7
125.02440	5.3
131.03500	15.5
143.03493	2.7
148.01649	11.7
149.04564	35.3
159.02991	3.5
161.04564	15.4
176.01126	20.3
177.01865	5.5
179.05673	2.6
191.05577	8.6
193.12387	2.4
307.72647	2.5
313.16556	100.0
314.16824	7.9
390.82825	2.3
445.20776	68.3
446.21213	6.9
505.17279	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
57.03451	2.8
57.75831	0.3
58.00590	1.7
59.01380	100.0
60.01716	1.0
61.98833	6.0
69.03455	1.1
69.48396	2.0
69.48727	0.4
71.01383	48.8
72.01714	0.4
72.99307	2.3
73.02948	12.4
74.99053	0.3
75.00876	0.9
81.03454	0.5
83.01390	6.1
85.02950	18.6
86.03268	0.4
87.00885	2.6
88.98799	0.6
89.02444	34.2
90.02765	0.5
95.01389	2.3
97.02978	1.2
98.20690	0.4
98.84575	0.3
99.00877	4.6
101.02442	36.0
102.02778	0.7
106.61401	0.2
111.00871	0.6
113.02451	16.7
114.02795	0.4
115.03993	0.4
119.03503	10.6
120.99536	0.3
121.40245	0.3
125.02451	2.6
129.01970	0.5
131.02504	0.5
131.03497	8.6
132.03882	0.4
137.02441	0.7
139.04025	0.3
143.03510	3.2
149.04549	14.3
159.03009	1.6
161.02502	0.5
161.04552	12.2
161.09746	0.2
179.05600	3.5
179.07011	0.5
181.12344	1.3
190.02676	0.7
191.05600	3.8
205.03435	0.3
205.05046	0.6
215.05638	0.5
221.06612	0.4
225.11278	0.3
233.06631	1.3
252.04820	0.3
293.08759	0.6
313.16534	3.6
331.17606	3.9
332.18170	0.4
337.07199	0.3
373.18646	25.4
374.18976	2.4
417.17728	0.4
445.20590	3.6
446.21213	0.4
463.21851	5.0
464.22266	0.5
478.97400	0.3
505.22812	11.0
506.23422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2575
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.21840	0.8
52.49599	0.7
54.15700	0.6
55.33933	0.7
59.01378	2.3
69.95515	4.1
77.74619	0.8
78.95908	25.7
91.45897	0.7
96.96969	2.4
111.01008	0.7
115.60548	0.7
118.38692	0.7
145.38669	0.8
152.99594	44.9
153.99910	1.2
171.00603	2.0
185.52219	0.7
227.03278	6.5
245.04260	1.5
245.66173	0.8
277.21729	100.0
278.22116	8.7
341.13828	1.1
505.25742	63.4
506.26086	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
56.91471	1.4
57.03444	4.4
58.00601	2.0
59.01384	63.1
61.98826	6.2
69.03442	3.1
69.08652	1.6
71.01385	48.5
71.63087	3.2
72.99308	5.0
73.02949	22.7
74.99103	1.9
75.00882	11.6
83.01398	9.1
85.02952	17.3
87.00874	8.8
89.02454	24.3
93.03476	4.4
97.02965	2.0
99.00867	6.5
99.04491	2.2
99.92591	4.8
101.02452	41.4
103.04002	5.4
109.02995	2.1
111.00894	2.9
113.02450	13.9
115.03996	2.9
116.92873	53.2
117.01932	12.9
117.05585	7.6
119.03488	10.6
120.86256	1.9
123.04508	1.9
123.40260	1.8
125.02436	6.7
131.03517	3.9
137.02470	11.3
143.03526	7.8
145.04993	2.3
151.04080	2.2
161.04559	9.0
163.06148	8.9
176.33035	1.9
179.05611	4.3
205.07166	6.7
315.18091	13.1
316.18362	1.8
461.24011	6.3
505.22977	100.0
506.23785	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23484	0.9
52.62962	0.7
57.03459	1.5
58.00573	1.3
59.01381	100.0
61.98827	13.6
69.68110	3.2
69.68537	1.9
70.02745	0.8
71.01388	25.1
72.99298	4.1
73.02931	1.7
83.01366	1.6
84.93114	0.8
85.02961	3.9
87.00862	3.6
89.02445	38.4
95.01395	1.5
96.96027	1.6
96.96977	1.6
99.00929	1.1
101.02448	14.9
111.00854	1.0
113.02446	13.0
117.05605	0.8
119.03504	13.7
123.04526	1.0
125.02435	4.9
131.03484	2.6
137.02422	1.3
143.03494	5.0
149.02486	0.8
149.04536	2.5
151.04004	1.4
161.02446	1.4
161.04546	7.1
163.04030	1.6
177.01836	1.7
179.05606	26.2
180.04279	1.1
180.05817	0.8
195.06488	0.8
209.08214	1.5
214.73232	0.8
289.07233	1.2
315.16318	0.8
398.27585	0.8
505.15479	1.0
505.22818	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	504.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
61.98833	100.0
64.83280	0.8
70.22975	3.5
72.78136	0.7
83.34332	0.8
89.64338	0.8
98.20630	0.7
203.74669	0.7
267.23132	1.1
268.23654	2.5
290.80658	0.8
492.90192	0.8
494.73132	0.7
504.33835	2.5
505.35165	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	504.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70425	0.7
56.79404	0.6
57.03463	0.9
58.00582	1.1
59.01369	2.0
61.98830	100.0
62.86857	0.6
70.41903	2.0
70.42250	0.9
71.01374	4.2
81.14617	0.7
83.05038	0.9
85.02978	0.9
86.00128	1.0
98.20566	0.7
125.09688	0.8
179.14415	1.0
197.15489	1.4
209.15460	1.0
219.13889	6.1
220.14214	5.5
221.15508	0.9
225.97121	0.7
237.14932	5.9
238.15265	4.3
239.16629	1.3
240.16806	1.5
251.16603	1.1
255.23380	1.7
269.17560	8.5
270.17850	9.0
307.26447	1.1
313.16605	1.1
504.34467	5.2
505.30106	2.3
505.36185	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.22415	1.2
70.36045	0.5
71.10706	0.5
78.70620	0.4
87.40845	0.4
102.89398	0.5
107.25766	0.5
109.44838	0.5
136.25856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80682	0.3
57.03450	0.7
59.01382	3.7
61.98832	2.5
64.30506	0.3
66.91393	0.3
71.05009	0.5
71.64368	0.4
73.02956	0.4
83.05038	1.0
85.02931	0.5
92.04670	0.4
93.03452	0.4
95.05070	0.3
97.06594	0.5
99.04546	0.4
121.02959	100.0
122.03282	3.1
123.04530	0.9
125.09722	0.7
171.08220	0.3
179.05151	0.4
179.14528	0.4
181.06622	3.2
197.06032	2.3
204.20813	0.3
207.04512	1.2
207.08203	0.6
225.05614	2.3
249.14900	0.4
250.15286	0.4
251.16499	0.5
253.18048	0.8
257.09671	0.9
269.17538	0.7
313.07178	5.0
314.07523	0.5
317.21216	0.4
353.80280	0.5
357.06274	0.8
373.10895	0.5
383.07578	0.9
397.20142	0.3
404.87033	0.4
417.09735	10.0
418.10220	1.3
461.11871	0.5
504.34241	1.3
505.11481	7.5
505.22476	1.1
505.31686	1.9
506.11661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2234
Annotation	8alpha-Hypoglabroyloxyjaquinelin
Peak:m/z	Relative Intensity
57.03439	1.1
59.01385	4.5
61.98832	4.5
64.81138	0.5
69.03453	1.6
69.44678	4.2
71.01392	0.8
73.02934	0.5
75.23265	0.5
79.05513	0.8
81.03442	0.7
83.05007	1.2
85.02957	2.1
91.09263	0.5
93.03463	0.6
95.05035	3.3
96.96056	0.4
97.02946	1.3
97.06599	0.6
98.03716	1.4
99.04501	1.0
107.05021	2.1
108.02161	1.6
109.02938	0.8
109.06598	0.9
111.00877	0.7
111.04498	0.9
113.24936	0.5
119.05013	0.7
119.08730	0.8
121.06564	3.0
123.04528	11.6
123.08115	0.5
130.88245	0.5
133.06636	1.4
135.04497	3.9
135.08153	1.9
137.06036	0.7
143.08661	0.5
145.06601	0.7
147.08194	1.2
149.06078	1.2
149.09818	0.7
151.07565	0.5
152.28018	0.5
157.10278	0.9
159.08170	0.9
161.06056	0.8
163.07617	1.2
165.09258	0.5
169.06569	0.6
171.08170	2.2
172.08943	1.2
173.09688	1.7
174.06880	2.4
175.11270	1.6
176.99739	0.6
183.08127	2.0
184.08920	1.7
185.06116	0.8
185.09680	1.8
186.06830	0.6
187.07658	4.0
187.11292	7.3
189.09196	1.6
197.09708	1.3
199.11273	8.1
200.11562	0.5
201.09174	1.2
201.12857	1.6
202.10002	0.9
203.10770	1.9
205.12421	1.2
211.11296	0.9
213.12910	1.2
215.14439	0.8
216.07840	0.6
217.12369	2.1
229.03952	0.5
229.12318	0.7
231.10306	2.5
237.15041	0.6
305.15387	0.7
417.24304	0.6
456.86969	0.5
461.23386	1.2
505.22336	100.0
506.22626	15.6
506.30054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.1
61.98839	3.0
63.45120	0.4
69.39893	0.4
70.78119	1.4
71.01382	16.9
72.99307	1.0
73.02946	5.1
76.48964	0.4
81.80556	0.4
83.01399	1.0
85.02962	2.2
89.02446	27.9
93.03466	2.9
94.02991	0.7
95.01400	0.5
99.00882	8.8
101.02441	10.9
108.04481	0.6
113.02424	3.5
119.03484	2.0
119.05037	1.5
120.04538	0.7
121.02927	2.2
123.04536	1.1
125.02448	2.0
125.54506	0.5
131.03523	6.1
133.05347	0.8
135.04472	0.8
136.04016	1.7
143.03459	0.9
145.02922	0.8
148.04031	1.7
149.02440	1.6
149.04559	20.0
150.03246	2.1
151.00359	0.4
151.03969	1.8
157.67123	0.4
160.04004	0.9
161.04517	1.4
162.05574	0.9
163.02805	0.7
163.04002	14.2
164.03514	3.7
164.04779	1.8
165.05592	2.8
168.00645	1.0
177.01862	0.5
178.06355	21.8
179.05522	0.8
179.07001	2.8
191.05609	4.8
192.03021	4.1
193.03761	5.4
194.04144	0.5
205.03772	1.3
206.04555	6.3
207.05312	0.5
208.06151	15.5
209.06487	0.8
216.30392	0.5
220.06133	4.9
221.06548	1.4
228.10399	0.5
248.67604	0.4
251.07715	2.0
255.02905	1.0
271.02521	2.7
283.09619	0.7
284.09415	1.0
293.74680	0.5
299.02170	0.5
300.02792	4.8
301.03543	1.9
311.09708	0.6
312.08765	12.8
313.09189	0.8
326.10342	2.5
327.11105	27.8
328.11453	2.9
342.13452	100.0
343.13788	10.4
504.11581	1.6
504.18863	3.0
505.09866	3.0
505.26459	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	504.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27939	0.7
59.01374	4.7
61.98833	7.3
69.65622	3.8
71.01382	2.4
72.99306	0.7
72.99817	0.6
75.00864	1.5
75.52940	0.5
85.02962	1.0
87.00863	0.9
89.02456	2.3
93.03473	3.5
94.03019	0.7
101.02433	1.7
108.04544	0.8
113.02450	1.1
115.88088	0.7
119.05031	1.6
120.04535	0.8
121.02933	2.8
123.04488	1.3
125.02400	0.7
133.02896	0.6
133.05348	1.2
135.04449	0.7
136.04030	2.1
137.02466	0.8
148.04091	1.5
149.02394	2.0
150.03204	2.0
150.05557	0.7
151.04030	1.4
160.03986	1.2
161.04591	0.7
162.05574	0.8
163.02719	1.1
163.04010	13.4
164.03539	3.8
164.04776	2.2
165.05531	2.5
177.01929	0.9
177.04373	0.8
178.04807	1.2
178.06361	23.9
179.06981	2.4
192.03056	3.3
192.06631	1.2
193.03780	6.1
205.03810	1.3
206.04552	5.5
207.05310	0.9
208.06128	13.9
209.06528	1.1
220.06154	4.9
260.65906	0.7
283.09952	1.3
284.09610	1.1
298.10867	0.6
312.08771	13.1
313.09259	0.9
326.10367	3.4
327.11096	29.4
328.11383	3.4
342.13455	100.0
343.13782	10.4
368.11380	0.7
504.11267	1.1
504.18491	13.7
505.19131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82935	0.8
57.03446	2.7
58.00597	6.5
59.01386	4.4
61.98830	26.9
68.31632	0.8
70.01591	3.8
71.01382	23.3
71.82471	0.7
83.05038	8.9
85.79379	0.8
86.00093	7.8
87.00886	5.6
88.01641	5.7
89.02450	1.0
97.06599	1.6
98.20601	1.0
104.58999	0.7
123.08175	4.1
149.09752	1.1
163.11273	1.1
165.12856	2.5
179.14380	5.4
181.12387	0.9
181.15938	1.9
189.12822	5.3
191.14453	2.4
195.17574	0.9
197.15479	14.5
201.12912	1.2
207.13931	2.4
209.15431	7.3
211.17032	1.1
219.13885	55.4
220.14249	3.7
221.15552	1.7
223.17076	4.3
233.15401	1.7
237.14957	59.5
238.15240	4.1
239.16513	13.3
240.16722	1.3
251.16536	2.8
267.16013	1.4
267.23428	1.7
269.17572	100.0
270.17920	6.5
287.18655	2.6
305.26740	0.9
307.26508	2.9
313.16589	7.6
324.72409	0.8
402.27548	1.0
502.17719	0.9
503.33829	34.5
504.34689	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	503.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51500	0.6
57.03470	1.0
59.01386	54.3
61.98837	6.7
69.98010	2.6
71.01389	1.2
73.02962	1.0
83.05008	1.8
95.05087	0.7
95.06499	0.5
97.06609	1.5
98.05637	0.6
98.20570	0.8
109.06578	0.9
125.09766	1.4
127.11299	2.3
129.09256	2.0
137.09718	0.8
143.10706	0.8
155.10806	2.5
157.12355	1.5
171.10284	2.4
173.11848	13.5
199.13486	0.8
201.11375	2.7
215.12981	0.8
279.84958	0.6
295.22775	1.8
311.22351	1.5
313.23889	17.6
314.24139	1.7
329.23227	1.3
331.24942	7.8
347.24402	5.9
476.99646	0.7
485.34869	3.9
503.36011	100.0
504.29602	1.1
504.36407	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	504.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04391	0.4
57.03445	0.4
59.01384	3.5
61.98830	100.0
67.56027	0.4
69.28640	3.2
71.01378	4.1
72.01720	0.4
73.02946	1.6
73.36208	0.3
83.01421	0.6
85.02967	1.4
86.03326	0.4
89.02463	1.5
94.31666	0.4
98.19858	0.7
99.00904	0.8
101.02444	3.0
102.02776	0.7
113.02491	0.6
125.02491	0.8
161.04597	0.8
165.01950	0.9
167.09006	0.4
178.06339	0.4
179.03581	0.3
179.10828	0.5
180.04343	0.6
180.11298	0.4
195.06659	0.9
195.91374	0.6
211.08003	0.4
234.05301	0.4
297.13428	0.4
304.99597	0.3
360.85089	0.4
372.21298	1.1
444.19565	0.8
504.25674	3.0
505.26434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	Yardenone A
Peak:m/z	Relative Intensity
57.03448	8.4
58.00595	4.5
59.01381	4.4
61.98826	2.0
69.23060	1.2
70.27535	1.2
71.01385	3.0
71.63461	1.7
78.02661	1.0
83.05027	11.2
85.06647	1.1
97.06587	14.5
106.32678	1.2
117.58425	1.3
123.08160	3.6
135.08159	1.5
137.09578	1.1
149.09695	2.2
165.12816	1.5
171.55272	1.1
171.69357	1.1
175.11267	1.6
179.14493	1.4
189.12845	5.0
191.14432	3.1
193.12296	6.6
199.17032	7.8
200.17397	3.1
201.12727	1.5
203.14424	3.8
205.15953	4.8
207.13930	1.8
209.15483	2.0
215.14394	6.3
219.13884	45.1
220.14290	2.6
221.15535	7.6
223.17087	6.5
233.15465	20.3
234.15845	1.7
237.14943	18.4
238.15430	1.3
239.16483	4.7
251.16525	10.1
253.18056	2.5
269.17569	100.0
270.17944	6.3
287.18704	2.9
313.16595	2.4
377.48837	1.2
503.33795	38.9
504.34174	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	503.2502
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01875	2.3
57.03442	2.3
58.00606	3.7
59.01384	75.9
61.98830	3.4
69.03456	1.6
69.44662	4.2
69.45087	2.2
70.41043	0.8
71.01388	72.7
72.99321	3.6
73.02955	21.1
75.00854	1.2
83.01388	5.7
85.02953	18.1
87.00893	3.8
89.02452	100.0
90.02745	1.1
95.01411	1.5
97.02963	2.3
99.00893	29.1
99.04519	1.0
101.02452	55.9
102.02786	1.3
111.00877	1.0
111.80846	0.7
111.88236	0.7
113.02458	20.3
115.03997	1.6
119.03504	11.1
125.02462	7.1
131.03519	24.1
132.19582	0.7
143.03505	2.9
149.04564	81.2
150.04939	2.0
159.03001	1.4
161.04568	13.0
165.12869	7.5
179.05586	1.6
181.00647	0.8
191.05627	16.7
191.14421	7.5
205.26054	0.8
209.15445	1.8
221.06610	3.6
231.13963	1.2
233.06589	2.2
251.07700	7.1
257.15488	1.4
275.16608	1.7
285.04059	0.9
293.08685	4.3
311.09714	1.6
311.15015	8.3
327.18112	1.4
353.19583	2.5
371.20789	6.4
443.19315	4.2
444.19568	0.9
457.20889	1.0
485.23901	2.5
503.25089	31.7
503.32538	1.8
504.25354	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	503.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22886	1.7
59.01381	10.4
61.98833	100.0
70.33124	4.8
70.33465	1.9
71.01385	17.1
73.02958	3.3
77.10381	1.6
82.11936	1.6
83.01381	2.0
85.02981	1.7
89.02415	7.3
90.07668	1.4
101.02459	19.9
113.02447	2.9
127.40593	1.7
141.46606	1.6
185.28506	1.4
281.24847	23.4
295.26404	7.1
323.25888	2.6
333.60294	1.7
364.96078	1.5
406.48828	1.4
408.26831	1.3
503.33517	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07815	0.6
55.01873	2.0
56.30234	0.6
57.03438	1.9
58.00600	3.6
59.01379	73.5
60.01700	1.1
61.98816	1.9
64.69219	0.7
69.03446	2.2
69.41061	5.8
71.01383	70.5
72.01726	1.5
72.99310	3.2
73.02950	20.9
75.00872	1.4
81.03432	0.7
83.01386	4.4
83.42778	0.6
85.02946	13.4
86.01574	0.7
87.00870	3.4
89.02445	100.0
90.02795	1.4
93.03481	0.9
95.01392	2.4
97.02966	3.5
97.03493	0.6
99.00881	31.8
101.02442	51.3
102.02781	1.1
111.00921	0.8
113.02452	16.8
115.04018	2.4
117.05572	1.2
119.03504	8.0
122.53651	0.8
125.02459	8.8
126.02833	0.7
131.03499	22.4
132.03876	0.7
135.06622	0.8
137.02446	1.1
139.82315	0.7
143.03529	3.1
147.11819	0.9
149.04555	80.9
150.04909	1.9
159.03047	0.8
161.04570	9.7
161.09821	0.7
165.12852	8.9
166.13219	1.0
179.05623	0.9
179.10794	4.7
191.05595	19.0
191.14413	6.5
202.03708	0.7
209.15497	2.5
221.06679	4.9
231.14052	1.0
233.06673	5.7
237.92491	0.7
251.07693	7.5
252.07932	0.6
257.15564	1.0
275.16495	1.3
293.08755	9.2
297.12067	1.9
311.09845	1.3
311.14984	3.9
312.15619	0.7
327.17975	1.0
371.20917	2.9
443.19058	5.4
444.20047	0.7
485.24002	0.8
503.25198	29.0
504.25299	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03439	0.8
58.00594	3.4
59.01381	67.1
60.01713	0.6
61.98821	0.3
69.03456	0.5
69.34487	0.9
69.34914	1.4
71.01384	56.4
72.01723	0.8
72.99311	2.8
73.02949	18.4
74.03290	0.3
81.03445	0.5
83.01393	1.0
83.80612	0.2
85.02953	6.7
87.00866	1.4
88.01839	0.2
89.02447	100.0
90.02785	1.1
95.01378	1.1
97.02960	1.2
99.00884	31.6
99.04538	0.4
100.01223	0.4
101.02446	37.9
102.02776	0.4
108.45610	0.2
113.02450	9.2
113.03236	0.5
115.04001	0.6
119.03497	5.2
125.02458	5.1
131.03505	20.4
132.03839	0.4
134.39230	0.2
143.03503	2.1
149.04555	71.0
150.04909	1.5
161.04553	3.1
179.05606	1.1
191.05605	16.4
192.05901	0.7
221.06674	2.7
233.06586	0.4
236.05971	0.2
251.07735	5.7
252.07916	0.3
275.07504	0.6
281.08499	0.3
293.08673	1.1
311.09937	1.1
371.20877	0.3
383.72476	0.3
503.19312	0.8
503.25201	7.3
504.24954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
51.11112	0.3
55.01880	5.5
57.03448	4.1
58.00599	1.5
59.01380	29.5
61.98832	0.4
67.01875	0.3
68.99810	0.5
69.03451	1.8
69.41094	2.3
69.41489	0.7
71.01382	60.9
72.01723	1.0
72.99306	2.4
73.02946	24.8
74.03298	0.4
75.00870	1.5
75.84731	0.3
81.03448	1.0
83.01385	10.1
83.01871	0.6
84.02180	0.6
85.02949	29.9
86.00094	1.4
86.03297	0.5
87.00876	3.7
89.02445	18.4
95.01395	4.7
97.02949	3.9
99.00880	13.3
99.04527	0.8
101.02443	50.7
102.02805	0.9
111.00868	1.5
113.02450	22.6
114.02801	0.6
115.04033	2.3
119.03503	1.8
123.00840	0.3
124.01685	0.4
125.02448	6.7
127.04002	0.4
128.60291	0.3
129.01956	0.8
131.03505	3.2
137.02437	0.3
143.03487	3.2
149.04544	4.2
149.99582	0.5
159.02997	4.1
161.04555	28.6
162.04984	0.7
168.00618	0.9
179.05620	0.9
191.05643	1.3
205.03500	0.9
205.07402	0.3
207.96626	0.3
209.15492	0.5
215.05507	0.4
233.06618	4.6
251.16487	0.4
262.07449	0.3
279.15839	0.4
293.08752	3.3
294.08929	0.4
326.09872	0.8
340.11932	0.5
341.12317	1.4
371.20728	45.3
372.21078	5.1
398.08823	0.3
415.19662	0.7
503.24969	100.0
504.14035	0.6
504.25323	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	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66035	1.4
55.01879	6.3
57.03461	6.2
58.00597	3.4
59.01387	93.0
61.98835	14.0
69.03460	2.9
69.52360	7.1
69.52788	2.9
71.01387	85.3
72.99323	3.9
73.02950	31.7
75.00876	2.4
83.01398	21.3
85.02960	41.6
86.00092	1.7
86.33798	1.2
87.00867	6.3
89.02451	32.7
95.01367	7.3
97.02962	4.5
99.00875	11.0
101.02449	78.0
103.04002	4.0
111.00905	2.6
113.02459	34.9
119.03520	8.5
119.45898	1.4
125.02473	8.3
131.03479	7.1
143.03520	5.4
145.05028	1.9
149.02460	3.5
149.04556	4.4
150.03241	6.4
159.03020	7.7
161.04558	37.8
163.06158	6.3
165.05551	6.3
179.05647	3.4
179.10748	1.7
180.04311	1.9
191.05563	1.7
195.06619	4.9
205.07076	1.6
209.15625	1.6
233.06754	1.8
247.08276	2.8
259.73645	1.5
275.99045	1.5
297.13446	72.6
298.13754	5.3
298.84073	1.4
371.20734	48.2
372.21066	5.1
383.09436	2.9
443.19250	100.0
444.19537	11.8
503.25638	24.7
504.25339	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.9
57.03446	3.9
58.00581	3.2
59.01385	86.2
61.98832	12.6
64.35758	1.3
69.47623	10.6
71.01389	77.0
72.99309	4.6
73.02955	26.8
74.99107	1.8
75.00896	1.9
83.01405	16.0
85.02959	35.4
87.00890	7.1
88.98815	2.5
89.02457	28.1
91.59438	1.7
94.90540	1.8
95.01396	5.0
97.02956	4.1
99.00894	10.4
101.02454	77.0
102.02804	1.9
103.04013	4.0
113.02457	25.8
116.73601	1.7
119.03517	6.7
125.02441	5.6
131.03503	5.9
137.83270	1.5
143.03502	8.1
144.06700	1.6
149.02423	4.4
149.04562	3.6
150.03206	7.0
159.03036	4.0
161.04570	30.4
163.06134	8.8
165.05528	6.7
179.05655	3.6
179.10637	1.8
195.06613	6.3
293.89352	1.6
297.13455	71.3
298.10303	1.7
298.13739	7.1
341.12106	1.8
371.20712	22.5
383.09586	3.0
443.19232	100.0
444.19467	9.5
503.24704	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
55.22836	0.8
57.03460	4.2
58.00582	3.0
58.88047	0.8
59.01379	100.0
61.98830	63.8
61.99119	1.1
62.98547	0.8
63.99246	0.8
69.03447	1.6
71.01384	58.9
72.99299	3.6
73.02946	25.4
75.00867	1.3
81.03445	1.5
83.01393	9.7
83.01884	1.3
85.02954	19.2
86.00090	1.5
87.00879	9.6
87.04502	2.6
89.02448	39.2
90.56626	0.8
95.01373	3.4
97.02932	3.2
99.00894	4.4
99.04506	1.9
101.02444	57.2
103.04012	14.3
109.02941	0.8
111.00865	1.7
111.04514	0.8
113.02453	19.7
115.04012	4.8
116.92841	1.1
117.05570	1.3
118.37142	0.8
119.03501	17.7
125.02455	8.1
125.62106	0.8
127.03992	2.2
131.03519	8.5
133.10272	1.3
137.02402	2.0
141.62585	0.8
143.03497	12.6
145.05080	4.9
149.02446	2.1
149.04562	1.1
157.36327	0.7
159.02971	1.8
160.61192	0.8
161.04556	20.0
163.06128	41.1
164.04762	2.4
164.06468	1.1
169.17021	0.7
175.00327	2.4
177.09187	10.2
179.05614	9.3
179.07033	1.6
180.04300	1.4
190.02751	6.2
195.06639	1.3
195.10211	2.2
205.03401	1.1
205.05032	6.6
205.07137	19.1
207.57780	0.8
208.03835	1.0
223.06114	6.5
229.07106	1.1
247.08128	2.2
260.58612	0.9
265.09363	2.9
307.10342	1.7
339.14194	0.9
353.05582	0.8
357.15500	15.0
358.15948	1.2
413.18051	8.7
443.19052	0.9
459.20206	0.9
465.21591	1.2
503.21863	34.7
504.21420	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24935	0.9
57.03453	63.2
58.03779	1.0
59.01379	12.0
61.98833	10.5
71.01379	6.3
72.44402	0.8
73.02952	1.9
74.99093	1.8
75.00868	1.4
76.23021	0.7
83.01413	1.1
85.02959	2.8
87.00889	3.3
89.02438	5.0
99.00896	1.1
99.04524	33.8
99.92568	2.5
101.02450	15.9
109.02969	2.4
111.00884	26.5
113.02442	2.8
116.92870	19.3
117.92912	1.4
119.03531	1.3
121.94898	0.8
125.01573	0.6
125.02454	15.7
131.03516	1.0
135.04579	1.2
136.99084	0.9
137.02451	27.5
138.02786	0.9
143.03523	1.7
150.00229	1.1
152.04816	1.1
161.02339	1.1
161.04576	2.3
167.03496	30.6
173.00938	2.7
179.05608	1.3
179.07082	1.1
181.05240	0.9
182.05836	59.7
183.06262	2.2
191.65466	0.9
197.08194	100.0
198.08553	5.9
207.06560	1.5
251.09251	1.2
281.13742	1.3
295.05725	0.9
341.12433	1.9
383.07700	2.2
408.46280	1.0
503.17889	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.7
59.01381	46.2
61.98829	4.5
67.72842	2.0
69.57443	17.5
71.01386	20.7
72.99258	3.0
73.02979	2.6
74.50308	2.0
78.95901	4.6
83.05023	3.5
85.02951	9.3
86.02472	3.2
87.00877	6.9
89.02462	14.7
96.96005	9.5
96.96961	9.0
101.02450	11.9
107.05015	3.5
111.00880	16.6
113.02432	8.9
115.03918	2.3
119.03471	5.3
120.01267	4.8
121.06576	3.4
123.08141	8.0
125.02518	2.9
125.06043	4.7
131.03392	2.4
134.87418	2.9
135.04529	4.3
136.80925	2.1
137.02472	3.3
138.56964	2.4
153.05554	2.8
161.02385	3.6
161.04544	5.5
168.26942	2.5
171.11787	10.8
179.05602	6.9
187.11395	2.3
189.12817	3.2
200.55833	2.3
201.12810	4.6
207.13834	3.7
235.59633	2.1
237.14952	16.2
244.67007	2.4
245.11836	2.8
251.09172	5.3
261.14795	2.9
281.13940	100.0
282.14362	5.2
295.10178	4.2
305.13931	11.0
323.14914	4.6
354.02188	2.2
382.13031	16.3
503.14020	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55799	1.1
55.01877	2.9
57.03454	3.4
58.00584	1.4
59.01382	59.6
59.76197	1.1
61.98843	6.0
69.03473	2.0
69.50583	2.0
69.50988	6.3
71.01382	54.7
71.22324	1.2
72.99335	2.4
73.02946	16.4
75.56451	1.3
78.95919	1.2
81.03468	1.3
83.01387	8.8
85.02955	24.6
87.00889	4.8
89.02450	29.1
95.01415	3.3
97.02967	2.1
99.00889	5.1
101.01772	2.2
101.02444	45.4
101.06077	4.3
101.46491	1.2
111.00881	5.1
113.02448	25.0
115.04036	2.1
119.03533	4.5
122.92809	1.2
125.02475	5.2
129.70120	1.1
131.03510	21.0
141.87984	1.2
143.03528	2.6
149.04526	11.6
159.03000	3.5
161.04573	13.6
164.83504	1.3
179.05589	1.9
179.10805	1.6
185.91066	1.1
191.05695	2.1
194.05986	1.3
194.91785	1.6
195.06635	2.2
215.05609	1.4
233.06711	3.5
263.12759	2.4
287.66174	1.6
293.08859	3.2
311.14996	29.8
312.15369	2.0
378.70938	1.2
443.19217	100.0
444.19748	10.5
503.25827	4.3
522.74335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1766
Annotation	Isoconiferinoside
Peak:m/z	Relative Intensity
50.60851	1.5
57.03450	100.0
58.00575	3.4
59.01382	87.9
61.98836	17.0
69.03443	2.8
71.01382	63.1
71.04984	2.2
72.99300	5.3
73.02946	20.1
75.00872	2.9
78.06263	1.6
78.93469	1.8
78.95861	1.8
81.03431	1.7
83.01384	8.9
85.02956	17.4
87.00890	7.7
89.02450	50.7
93.03467	2.5
95.01363	4.9
97.06514	1.8
99.00868	4.4
99.04517	62.2
100.04836	2.2
101.02449	58.6
109.02933	2.0
111.00871	3.1
113.02459	29.6
114.05618	10.0
114.93390	4.6
115.00346	3.4
115.04008	16.0
116.03493	1.7
116.07149	1.6
116.92867	2.0
119.01391	2.1
119.03503	20.1
121.02949	3.0
123.04520	5.3
125.01613	2.7
125.02444	35.4
131.03467	3.3
133.05078	8.6
135.06682	2.0
136.99141	2.0
137.02399	4.6
143.03477	7.5
146.97354	1.7
147.00893	2.1
149.02446	23.2
149.04515	5.5
150.05573	1.8
151.03918	2.0
161.02385	1.6
161.04527	11.3
163.04047	2.5
164.04797	29.6
165.01888	1.8
165.09152	1.9
175.00356	19.3
177.01859	4.0
179.03174	1.8
179.05588	11.3
179.07111	35.0
180.07527	2.0
190.02711	46.5
191.03178	2.3
192.04156	3.7
197.08197	2.3
205.05046	50.2
206.05460	4.3
207.06578	7.6
208.03810	2.4
221.08253	1.9
223.06061	24.8
233.15521	2.6
265.07190	8.8
281.13882	2.0
305.63858	1.6
313.85657	1.7
325.09326	2.4
341.08392	2.6
341.12381	37.2
342.12653	2.3
359.13458	31.8
360.13895	3.5
401.14584	10.3
408.43744	1.8
431.09933	2.9
437.45450	2.2
441.17551	2.2
503.17590	54.9
504.17938	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
57.39861	0.3
59.01377	1.2
61.98833	100.0
63.08412	0.3
68.77834	0.4
69.51888	2.6
83.05033	1.1
97.06660	0.3
108.45726	0.3
203.14445	0.5
221.15355	0.3
224.37105	0.4
233.11951	0.3
233.15558	1.0
235.17155	0.7
249.15036	1.4
253.18158	1.4
261.81357	0.3
265.92850	0.4
271.19098	0.4
501.32349	0.4
502.33093	1.9
503.33890	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	502.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01897	0.1
52.64923	0.1
55.01891	0.1
56.19361	0.1
57.03446	0.2
59.01382	1.3
61.98834	0.4
62.96406	0.2
66.13194	0.1
71.01386	0.4
71.05013	0.1
71.30287	0.1
71.30618	0.1
73.02948	0.2
77.48248	0.1
78.95906	27.0
81.03416	0.1
83.05035	1.2
94.44482	0.1
95.05022	0.1
96.96963	0.4
97.06602	0.1
98.21188	0.1
99.04543	0.2
104.97468	0.2
109.06628	0.1
109.15981	0.1
111.04455	0.1
121.06623	0.2
122.98549	0.1
123.08212	0.2
127.07640	0.2
134.98560	0.2
149.09607	0.2
152.99597	2.7
168.04314	4.0
171.00653	0.2
175.11363	0.1
179.10631	0.1
194.05824	0.3
224.06926	12.2
225.07210	0.3
233.15497	0.5
233.22646	0.5
242.08003	2.9
251.16501	0.3
259.20651	0.4
269.17664	0.9
275.20200	0.4
277.21716	100.0
278.22055	8.3
284.10974	0.1
287.18515	0.1
313.16501	0.2
347.66406	0.1
354.76535	0.1
413.21005	0.2
502.29361	23.6
503.29385	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75505	0.2
55.01883	4.1
57.03453	3.7
58.00596	2.1
59.01384	33.2
60.01737	0.5
60.99309	0.3
61.98839	3.2
67.01900	0.3
68.99830	0.3
69.03455	1.8
69.54507	1.8
71.01387	65.0
72.01734	0.4
72.99310	3.0
73.02952	24.5
74.99126	0.6
75.00877	1.8
81.03471	1.1
83.01393	10.0
83.04998	0.4
84.02165	0.6
85.02957	27.0
86.00106	0.8
87.00880	3.8
89.02451	25.3
90.02789	0.5
95.01399	4.8
97.02958	3.1
98.19895	0.5
99.00888	14.0
99.04539	0.5
101.02451	45.4
107.14455	0.3
109.02967	0.6
111.00866	1.3
113.02456	21.0
115.04025	2.2
119.03506	3.4
123.04528	0.4
125.02453	6.5
128.69263	0.2
129.01970	1.0
131.03520	4.3
132.03058	0.6
143.03511	3.8
149.04568	6.9
150.04929	0.5
159.02995	4.1
159.04256	0.4
161.04564	25.5
165.05531	0.3
168.00644	0.4
179.05612	2.2
191.05635	2.1
205.03514	0.7
207.13962	0.4
209.06096	0.3
218.73039	0.3
224.04828	0.3
225.05521	3.8
233.06688	4.7
239.07173	1.0
251.16516	0.3
253.05077	4.8
254.05502	0.4
265.05005	0.3
267.06497	0.4
268.07425	2.7
282.07706	4.1
283.08282	0.3
293.08807	3.4
296.09485	0.7
297.09863	0.4
300.06384	0.4
310.07214	5.8
311.07333	0.6
324.08725	0.9
325.06570	0.4
325.09552	28.4
326.09869	3.0
340.11893	51.5
341.12268	5.6
371.20740	47.0
415.19800	0.5
421.53506	0.3
503.25000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.02990	2.5
121.20195	0.5
136.49040	0.6
164.04820	0.5
251.81387	0.6
359.25137	0.5
420.89401	0.6
523.83929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.98829	100.0
70.14551	0.6
70.14944	1.0
80.06589	0.4
86.05357	0.3
142.62534	0.3
168.90698	0.4
179.82645	0.4
223.08266	1.6
258.29391	0.4
451.25583	0.4
503.33661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55767	0.9
59.01376	4.0
61.65557	0.9
61.98831	100.0
64.82539	1.0
71.63071	1.8
73.27192	0.9
73.69917	0.8
100.92603	1.0
120.06526	1.0
141.00441	1.0
177.84454	1.0
232.43552	1.0
245.92076	1.0
247.13225	1.1
267.23279	4.4
296.89816	1.1
450.51852	1.2
502.32483	3.9
503.33582	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	502.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
57.22534	0.7
58.45008	0.7
59.01376	7.8
59.53153	0.7
61.98831	100.0
67.01871	0.9
69.71949	2.0
69.72354	2.2
71.01373	3.7
72.93592	0.8
73.02956	1.2
74.91235	0.8
75.00876	0.8
78.95898	6.0
83.01411	0.9
85.02959	1.5
87.00890	2.4
88.98829	2.0
89.02437	3.9
96.96014	5.9
96.96965	9.7
98.02462	0.8
99.04539	1.1
101.02456	3.7
109.03009	0.9
111.00884	15.6
113.02501	1.8
113.58044	0.7
119.03506	1.2
123.04547	1.0
125.02431	2.4
134.02502	3.3
135.03024	2.1
137.02435	0.8
151.04005	0.9
152.01201	0.8
153.05649	0.8
161.04584	1.2
165.01918	0.8
167.03456	0.8
168.00687	0.9
173.00957	1.5
179.05626	1.3
182.02325	1.4
193.01369	0.8
195.03111	0.8
197.04549	1.9
197.08177	1.6
199.81931	0.7
221.62437	0.7
281.13995	2.2
306.17175	0.7
502.14694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.3
59.01384	7.1
61.98826	8.8
63.02675	1.1
71.04977	1.3
71.64124	2.1
80.15273	1.1
81.03490	1.3
83.05044	4.3
83.31637	1.3
95.05019	1.5
97.06590	12.5
97.07080	1.3
109.06613	1.6
111.08204	1.8
123.08168	8.4
125.09724	80.3
125.46644	1.1
126.10098	3.0
127.11368	1.6
127.28488	1.3
143.10834	1.7
169.08745	3.5
171.10352	3.7
173.11887	3.0
187.09758	59.9
188.10089	2.2
259.34918	1.3
313.23810	14.0
327.21896	2.0
331.24890	15.2
331.27902	1.3
334.07248	1.2
455.31464	1.4
457.32465	1.2
501.34537	100.0
502.35016	14.8
529.29303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07610	0.3
53.76308	0.3
57.03449	3.7
59.01381	2.7
61.98827	1.2
69.03461	0.5
69.36272	2.4
69.36694	0.7
71.05032	0.7
75.70084	0.3
79.59027	0.3
80.02670	0.4
80.28580	0.3
83.05032	1.4
83.91203	0.4
85.06607	0.4
95.05033	1.1
97.06599	8.3
98.20596	0.6
101.06083	0.3
123.08160	4.5
125.09730	44.0
126.10065	1.4
127.11293	2.0
135.08154	0.4
137.09763	0.4
139.11272	0.9
143.10806	1.6
155.10776	1.5
157.12372	0.9
169.08704	1.0
171.10316	1.1
173.11819	8.5
174.12154	0.4
184.77983	0.3
187.09760	19.1
188.10020	0.8
219.14000	0.5
226.86948	0.3
237.44620	0.3
247.20673	4.1
251.16533	0.6
265.21719	4.0
291.19727	2.1
295.22852	0.6
309.20721	5.2
310.20862	0.5
311.22446	0.5
313.23798	5.1
313.27197	0.4
327.21753	6.2
329.23233	0.6
331.24899	13.8
332.25342	1.0
345.22784	2.9
397.98425	0.3
421.27570	0.5
421.33136	0.5
455.31430	0.4
465.32291	0.6
483.33557	2.7
501.34390	100.0
502.34702	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	501.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	10.2
59.01374	35.1
61.98828	30.0
65.22699	7.8
78.95921	6.9
80.82714	7.9
81.59142	7.8
83.05004	21.5
96.55174	7.1
97.06624	12.0
126.38478	8.7
148.79547	7.7
169.01158	8.0
205.66624	7.8
205.87491	8.5
249.14944	13.5
267.16193	12.3
279.23285	55.4
293.24939	22.3
384.99832	9.4
391.56888	8.5
393.45810	9.8
483.30798	8.8
501.32306	100.0
502.32761	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	501.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.9
59.01384	51.7
61.98833	16.4
70.13352	18.0
71.01384	8.1
73.02943	19.0
83.05032	19.2
85.02929	6.4
87.00851	7.5
96.51277	6.6
101.02480	8.8
111.08172	12.3
134.44600	8.7
159.43144	6.0
173.64172	6.8
205.16032	6.5
221.15462	9.4
270.32779	6.5
279.23291	100.0
280.23419	8.9
293.24872	66.7
294.25204	12.4
303.23157	10.2
321.24384	14.4
331.52777	6.7
501.32855	57.5
502.32434	10.2
506.15756	6.6
512.86310	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	501.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.9
57.86409	3.4
59.01392	23.6
61.98819	21.4
71.01386	48.0
71.62914	3.7
71.63298	4.1
73.02947	13.8
85.02953	11.1
89.02461	23.2
101.02462	36.3
113.02432	13.5
118.07885	3.9
119.03599	3.6
156.60606	3.5
201.70776	4.4
219.13916	4.4
233.15343	4.1
279.23285	100.0
280.23590	7.0
293.24939	24.6
303.23218	10.1
321.24377	23.3
331.06485	4.1
333.24237	5.7
411.27994	4.2
501.32230	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03448	2.9
58.00606	0.9
59.01382	20.6
61.98823	0.9
64.49194	0.4
69.03461	2.4
69.35284	3.5
69.35694	1.0
71.01385	27.4
71.71791	0.5
72.99303	1.1
73.02532	1.1
73.02947	22.4
74.69665	0.4
79.05548	0.5
81.03472	1.3
83.01372	2.2
83.05034	1.8
84.02173	0.6
85.02956	17.9
89.02452	6.0
93.03457	0.6
95.01381	1.1
97.02955	6.3
99.00898	1.1
99.04489	1.0
101.02447	26.5
103.04015	1.5
109.02949	1.9
111.04498	1.8
113.02453	10.6
115.04006	7.1
119.03465	0.9
121.02938	1.0
121.05106	0.6
125.02454	1.3
125.09737	0.7
127.04009	3.0
127.21651	0.5
131.03477	4.0
133.05063	1.6
139.04002	1.9
143.03482	2.2
145.05064	1.9
161.04588	2.9
163.06067	0.7
169.05093	0.9
173.04466	0.5
187.06102	0.5
205.07132	2.5
209.68408	0.5
214.74940	0.5
223.08224	100.0
224.08598	3.8
227.32953	0.5
241.09312	7.9
265.14737	0.5
271.35629	0.5
277.21738	9.8
278.22079	1.2
288.49826	0.6
306.29443	0.5
347.49200	0.5
501.32654	7.0
502.32819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47224	0.5
55.01866	0.8
57.03449	1.1
58.00600	3.3
59.01385	67.3
60.01731	0.6
61.98839	8.7
67.60291	0.5
69.03455	0.8
69.30975	0.5
69.32666	5.2
71.01389	51.1
72.01727	1.0
72.99297	4.4
73.02953	16.0
80.70050	0.5
81.03453	0.7
83.01362	2.8
85.02956	8.4
87.00872	1.8
87.04514	0.5
89.02451	100.0
90.02768	1.3
95.01404	1.0
97.02975	1.7
99.00237	1.0
99.00890	24.1
101.02448	42.6
102.02785	0.6
102.08719	0.6
109.02926	0.6
109.38447	0.5
113.02457	9.9
115.04024	1.0
119.03509	5.3
123.04514	0.7
125.02458	4.6
131.03517	17.4
141.09239	1.3
143.03479	2.3
149.04567	64.2
150.04912	1.7
158.37132	0.5
161.04530	3.8
179.05576	1.0
191.05624	15.5
193.06586	11.3
206.99832	2.7
211.13531	0.7
221.06743	3.1
222.07083	0.5
251.07693	3.9
285.04022	0.7
293.08820	1.2
311.10092	1.1
311.38870	0.5
339.25409	0.6
501.20239	1.0
501.31030	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	501.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76990	9.0
57.03437	19.7
59.01389	49.7
61.98837	100.0
71.01377	21.0
71.63221	12.2
83.05022	22.8
85.02947	10.1
85.07753	9.2
97.02905	9.1
101.02436	13.2
109.06604	10.6
111.08172	14.0
117.42434	8.5
118.88972	8.2
125.09724	10.3
127.07697	9.5
134.33347	8.1
157.86998	8.7
171.10274	10.8
171.11684	12.7
176.22496	9.4
260.07333	10.5
369.22830	10.7
483.28955	9.9
501.31421	69.5
510.13828	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	501.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
57.99702	0.8
58.65769	0.9
59.01387	11.2
61.98836	29.6
68.63021	0.8
71.01380	6.2
71.63048	1.0
71.63416	1.4
72.99310	1.9
73.02957	1.2
73.98325	4.0
74.99105	100.0
75.99424	1.1
76.74093	0.8
83.01473	1.2
85.02976	1.4
87.00895	1.5
89.02455	5.2
95.01409	0.9
99.00955	1.2
101.02440	5.6
113.02444	2.5
119.03554	1.0
120.99674	2.5
123.21698	0.8
125.02447	5.0
136.99158	89.1
137.99509	1.3
143.03496	1.0
147.04547	2.7
151.00371	0.9
151.04086	1.0
161.02409	0.9
161.04500	0.9
168.00656	1.8
223.91010	1.0
269.81549	0.8
371.60342	0.8
472.15189	0.9
501.20612	4.7
502.20810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2132
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
56.87609	0.7
57.03464	2.8
59.01374	9.5
59.01622	0.6
61.98830	21.6
61.99143	1.1
63.99271	1.2
69.03469	1.2
71.01383	6.8
71.64821	0.8
72.99342	1.2
73.02971	1.9
77.31643	0.7
81.03458	3.5
83.01389	5.3
85.02966	2.4
87.00907	1.0
89.02452	4.8
93.03501	2.0
95.01387	1.6
95.05032	2.9
97.02956	6.5
99.04539	0.7
101.02455	5.6
105.59964	0.6
107.04996	0.8
108.02201	1.6
109.02951	21.8
109.06597	0.7
111.00885	13.7
111.04518	0.6
113.02478	2.7
119.03502	1.8
120.05869	1.3
121.02956	4.8
121.06600	1.6
122.03793	2.1
123.04530	14.4
124.04862	0.8
125.02451	17.6
126.02792	0.7
131.03450	0.7
133.02968	1.1
135.04538	2.5
137.02440	15.6
137.03467	0.8
139.04036	5.1
141.09206	1.4
145.02995	2.0
146.03772	2.9
149.02451	6.4
150.03172	0.6
151.04012	9.6
151.27592	0.7
157.06612	0.9
159.04514	3.7
160.05280	2.5
161.02461	3.0
161.04611	2.2
161.06100	8.9
161.08218	0.7
162.03218	2.6
163.04082	1.8
164.01143	3.5
165.01939	5.3
165.12938	0.7
167.03484	2.2
173.00935	1.7
173.06142	1.2
175.02652	1.1
175.03961	3.5
175.07652	2.1
177.05603	1.6
179.03468	5.2
185.06143	1.8
187.04010	6.5
188.04745	4.3
189.12868	6.8
201.05582	1.3
202.06332	2.8
203.07129	16.3
204.07617	1.0
205.05035	13.6
207.13834	1.2
211.13429	0.9
212.04741	0.9
217.08714	0.8
221.08240	3.5
225.15016	0.9
227.07191	2.0
230.05771	1.3
231.02972	1.9
233.11867	2.4
245.08180	23.5
246.08554	1.7
247.06053	3.3
251.16464	1.2
263.16568	0.7
271.06042	1.2
289.07175	100.0
290.07547	7.3
293.13718	0.9
349.16684	3.1
369.18994	0.7
395.18488	2.6
457.18515	11.2
457.35281	0.9
483.19843	2.2
495.05344	0.8
501.21298	57.4
501.30252	2.2
502.21661	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	501.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02734	0.7
54.85960	0.7
57.03466	0.9
57.32853	0.7
58.00554	0.9
59.01382	13.3
61.98821	5.6
69.03442	3.2
71.01388	8.3
71.63905	1.0
72.99300	1.0
73.02943	3.5
75.00851	1.1
81.03469	1.0
82.28121	0.7
83.01384	1.8
83.05019	1.0
85.02953	4.6
87.00866	0.9
89.02444	15.8
95.01364	2.8
97.02937	3.5
99.00861	4.6
101.02439	6.0
107.01412	1.0
108.02184	1.7
109.02958	1.5
111.04515	1.0
113.02438	3.1
119.05024	0.8
121.02939	1.2
123.00885	11.2
123.04520	1.2
124.01670	24.2
125.02448	68.9
126.02799	2.4
127.07557	0.7
131.03502	2.8
137.02429	4.4
139.04007	1.3
147.04480	1.0
149.04555	8.8
149.99583	38.1
151.00415	4.2
153.01920	1.0
155.23041	0.7
163.00372	0.9
163.03911	0.9
163.11267	1.0
164.33319	0.8
166.99866	5.9
167.03476	1.7
168.00644	80.5
169.01410	14.7
181.01479	1.3
191.03426	0.8
191.05580	2.1
193.51915	0.7
195.02963	1.1
211.02367	1.2
218.02214	0.9
226.11763	0.9
313.05621	11.8
331.06674	20.7
332.07010	2.0
381.08206	3.2
398.08478	2.5
399.09277	31.2
400.09708	3.5
413.10901	1.1
483.11530	1.1
501.12497	100.0
502.12787	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	500.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00623	0.6
59.01387	3.7
61.98837	100.0
66.35847	0.3
71.01392	3.8
71.17972	0.3
72.99313	0.5
73.02948	1.9
75.00882	1.3
78.73206	0.3
83.01394	0.8
85.02954	3.1
85.03404	0.4
87.00883	0.9
87.04553	0.4
89.02454	2.4
97.03024	0.5
99.00867	0.5
101.02457	2.1
109.02944	0.8
111.00928	0.6
113.02470	1.2
119.03474	0.8
119.67802	0.4
121.02975	0.6
122.03754	0.3
123.04540	0.9
125.02485	1.8
126.02811	0.3
137.02534	1.2
138.02774	0.3
143.03552	0.5
151.04088	0.4
160.98988	0.4
161.04594	0.6
165.01950	0.5
165.12866	0.7
179.03450	0.4
189.12971	0.3
203.07170	0.7
207.13895	1.8
213.68190	0.4
231.14017	0.6
249.14940	0.7
267.16000	3.6
281.50269	0.4
289.07162	1.7
365.12106	0.4
369.19290	3.7
382.97195	0.4
500.20541	2.5
500.29770	0.5
501.23508	9.6
501.30563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48420	0.4
59.01381	80.5
60.01719	0.8
61.98820	0.6
69.39238	0.8
69.39565	4.1
72.99306	1.1
83.09438	0.5
90.97163	0.5
108.91026	0.5
120.30196	0.4
132.98221	1.5
157.03569	2.7
159.01483	1.6
174.99249	21.8
201.02553	32.1
202.02733	2.9
203.02284	0.5
217.00299	100.0
218.00650	2.0
332.98706	0.5
334.35547	0.5
343.03726	2.6
359.01468	60.2
360.01672	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	500.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.98831	100.0
70.05476	0.7
71.01382	1.1
71.05956	0.3
77.88058	0.3
77.97575	0.2
85.02995	0.3
89.02463	0.7
101.02421	0.4
111.00895	0.6
155.46724	0.4
249.96692	0.3
500.20090	0.4
500.29367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25053	0.2
56.28926	0.2
59.01378	1.3
61.98830	100.0
69.46266	2.1
71.01383	0.7
89.02444	0.4
101.02444	1.8
102.02795	0.3
111.00967	0.3
152.67453	0.3
178.20029	0.2
192.38069	0.3
201.50536	0.3
240.24310	0.3
260.06357	0.3
324.07736	0.3
437.73148	0.2
501.01810	0.3
501.30789	0.4
519.79736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98830	100.0
69.36919	0.8
69.37348	0.7
71.01394	1.0
73.02933	0.2
75.00879	0.3
85.02931	0.2
89.02454	0.7
98.20657	0.3
101.02454	0.5
103.05699	0.2
109.02946	0.2
113.02434	0.4
119.03543	0.2
123.04492	0.3
125.02419	0.3
129.61797	0.2
137.02386	0.3
174.94131	0.2
207.97760	0.2
219.25490	0.2
237.81241	0.2
440.25519	0.3
441.49503	0.2
501.23593	0.3
525.41852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
61.98831	100.0
62.01227	0.3
69.33846	2.8
71.01391	2.7
73.02958	0.8
75.18917	0.3
77.79340	0.3
83.01416	0.4
85.02963	1.0
87.00894	1.0
89.02435	2.1
89.28616	0.3
97.03008	0.3
99.04617	0.3
101.02422	1.6
107.00139	0.3
109.02960	0.3
109.72068	0.4
111.00878	3.5
113.02457	1.1
119.03520	0.7
123.04581	0.5
125.02460	0.7
134.99838	0.3
137.02473	0.6
140.24123	0.3
141.09180	0.8
161.04663	0.6
165.01944	0.4
173.00952	0.5
179.05580	0.3
369.19159	1.4
496.57172	0.3
500.20297	2.0
500.29230	0.6
501.23599	1.7
501.31122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74055	0.2
53.89148	0.3
59.01383	3.0
61.98835	100.0
64.92800	0.3
65.64026	0.3
66.58703	0.3
69.76690	1.9
71.01399	2.1
73.02956	0.9
85.02946	1.1
89.02454	2.4
89.39898	0.3
97.02969	0.4
99.00887	0.5
100.37739	0.3
101.02448	1.5
113.02472	0.7
119.03562	0.5
121.02989	0.8
125.02476	0.8
135.08200	0.5
149.04579	0.6
151.07658	0.5
161.02451	0.7
161.04587	0.5
162.02905	0.4
187.64926	0.3
308.39749	0.3
482.32376	0.5
500.18643	0.6
500.33771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92387	0.3
52.29424	0.3
53.05474	0.3
53.41454	0.3
57.03457	0.3
59.01386	2.2
61.98832	100.0
69.34716	3.2
71.01389	1.1
73.02973	0.6
85.02941	0.3
88.98789	0.6
89.02461	1.1
101.02474	1.1
106.29654	0.3
111.04581	0.4
111.44382	0.3
113.02434	0.4
119.05051	1.1
121.02972	1.7
123.00945	0.4
125.02469	1.6
134.30821	0.3
137.02438	1.0
141.88635	0.3
142.82742	0.3
149.04610	0.4
149.99640	0.5
163.04016	0.7
165.00568	0.4
167.03580	0.7
168.00714	0.9
292.06885	0.4
355.69980	0.4
439.63779	0.3
470.12808	0.6
485.15305	0.7
500.17896	1.7
500.33081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22783	0.4
59.01372	2.1
61.98832	100.0
69.48936	2.8
71.01392	1.2
87.00884	0.5
88.98837	0.6
89.02443	0.9
98.19824	0.7
100.17538	0.4
101.02466	0.7
123.04521	0.5
125.02455	1.5
137.02458	0.4
141.59631	0.4
151.04022	0.7
177.01982	0.4
211.40730	0.4
220.51680	0.5
245.54051	0.4
256.81085	0.4
375.80115	0.4
375.91885	0.4
500.14969	0.4
501.17627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22783	0.4
59.01372	2.1
61.98832	100.0
69.48936	2.8
71.01392	1.2
87.00884	0.5
88.98837	0.6
89.02443	0.9
98.19824	0.7
100.17538	0.4
101.02466	0.7
123.04521	0.5
125.02455	1.5
137.02458	0.4
141.59631	0.4
151.04022	0.7
177.01982	0.4
211.40730	0.4
220.51680	0.5
245.54051	0.4
256.81085	0.4
375.80115	0.4
375.91885	0.4
500.14969	0.4
501.17627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.4
59.01381	39.0
71.01383	33.4
72.01718	1.1
72.35805	1.0
72.99308	1.3
73.02945	1.0
73.47056	1.1
78.95907	13.4
81.04953	0.9
83.01442	0.9
85.02946	4.1
86.06136	1.1
87.00887	1.9
89.02448	38.3
90.02797	1.4
95.01392	2.0
96.96053	5.8
96.96967	22.6
97.02942	1.2
101.02451	24.0
102.02775	2.7
111.00868	1.3
113.02464	16.2
114.02775	1.4
119.03495	13.6
125.02483	2.5
131.03496	1.8
143.03528	2.2
148.77748	0.9
149.04521	2.0
156.06625	1.5
158.04698	4.7
158.08228	89.5
158.16618	1.0
159.02963	1.5
159.08583	2.0
161.04582	5.5
179.05603	22.0
180.05981	1.3
193.56850	1.0
222.07086	1.4
222.42679	1.1
223.06155	1.6
315.17410	1.2
341.10873	100.0
342.11035	7.2
403.14612	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	499.3278
Annotation	Adouetine X
Peak:m/z	Relative Intensity
57.03455	6.5
59.01389	7.7
61.98829	8.4
69.03462	1.6
69.86951	3.1
71.01373	1.3
71.05018	1.2
71.73570	0.6
72.99320	0.6
73.02951	0.9
79.05527	0.7
83.04630	0.6
83.05051	4.0
85.02970	1.1
87.00880	0.8
89.02443	0.8
95.05024	1.5
97.02959	0.7
97.06590	10.9
105.07127	0.7
107.05037	0.8
109.06604	1.2
111.04539	1.2
111.08195	0.8
121.06625	1.2
123.04542	0.9
123.08160	7.1
125.09727	66.5
126.10073	2.8
127.11256	1.6
135.08167	0.7
137.09755	1.8
139.11314	0.9
143.07179	0.8
143.10776	1.5
149.09778	1.2
155.10876	0.8
159.11850	0.6
161.09709	1.0
163.07689	0.9
165.12917	0.7
169.08743	1.4
171.10341	5.0
173.09711	1.2
173.11926	1.5
175.11282	0.7
177.12805	0.7
187.09764	25.0
188.10060	1.0
201.12901	0.9
217.08806	0.8
217.12247	1.3
219.13924	2.2
221.15475	0.9
224.10599	0.7
234.34894	0.7
235.16953	1.1
247.13460	1.0
249.14992	1.4
253.18378	1.0
261.11459	0.9
262.36124	0.7
267.16016	5.1
269.21133	0.8
311.22232	3.1
313.23962	1.4
319.22382	0.9
327.21686	0.9
329.23337	18.1
330.23727	1.4
343.21182	0.7
453.30139	1.1
455.32022	2.0
463.29868	0.9
481.31055	2.7
499.13144	3.1
499.32767	100.0
500.33063	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	499.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71372	1.3
57.03447	4.4
59.01380	5.6
61.90358	1.3
61.98835	4.6
71.01407	1.6
71.11980	2.0
73.02931	3.5
76.34156	1.3
83.01376	1.6
83.05027	6.8
85.02968	1.7
87.00921	1.3
109.06589	1.4
119.08541	1.3
121.06593	1.7
123.08167	1.6
123.22416	1.5
125.09720	2.0
135.08192	8.2
147.08182	3.1
155.08684	2.7
161.09732	4.4
165.12863	1.8
167.08679	2.1
167.98260	1.3
171.08142	3.7
173.06070	12.7
173.13335	5.0
174.06830	7.3
179.08670	2.3
179.14436	4.7
183.11757	8.8
185.06194	7.5
185.08157	1.8
185.09694	13.5
186.10495	24.9
187.10860	1.6
189.12886	2.0
196.38191	1.3
197.15503	4.0
199.07565	1.9
199.11266	2.2
201.12846	100.0
202.13188	5.9
203.14499	2.0
205.15921	1.8
217.08681	1.7
217.12282	4.5
219.13927	10.3
219.17494	1.8
221.15320	1.9
224.89941	1.3
227.10776	37.6
228.10951	2.0
233.15431	4.2
235.13339	2.6
235.17105	3.8
245.11821	93.4
246.12122	6.8
249.15047	2.5
251.16479	1.7
253.18207	1.9
263.12872	1.9
263.94861	1.3
271.19150	62.6
272.19562	4.0
353.20706	1.3
422.98877	1.6
453.30136	2.6
455.31635	6.0
481.03171	1.7
493.99582	1.4
499.30759	37.8
500.30765	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	499.3068
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
57.03448	8.6
59.01381	0.8
64.86932	0.4
71.01376	1.0
71.46041	0.5
72.04218	0.4
73.02944	6.9
83.05007	1.2
84.76696	0.4
91.26437	0.4
97.06631	0.8
99.75090	0.4
123.08167	0.6
124.42133	0.4
142.27171	0.4
163.11238	0.7
181.12335	0.9
183.11774	1.7
189.91690	0.4
199.11163	0.5
199.14934	4.1
213.09200	0.9
229.12288	1.4
239.18146	0.6
255.13808	2.9
255.16061	5.7
298.50009	0.4
313.18152	2.6
317.87198	0.4
337.22055	0.5
407.25763	0.7
423.25424	0.5
425.27094	4.0
426.27127	0.5
453.30020	1.0
463.28735	0.9
465.26440	0.6
479.27750	0.5
481.29584	1.2
483.27713	0.7
499.30673	100.0
500.30981	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3069
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
57.03441	9.5
59.01381	4.0
61.98826	3.6
62.34581	0.5
62.48923	0.6
62.93183	0.6
69.03453	0.9
69.72410	3.6
70.87483	0.6
71.01392	1.4
71.05032	0.8
73.02962	4.8
74.63417	0.5
83.05015	3.5
89.02483	0.7
95.04994	0.8
97.02943	0.6
97.06604	1.9
98.19911	1.2
107.05056	1.3
109.06616	1.3
114.56931	0.5
121.06561	1.1
122.03780	1.0
123.04534	1.2
125.09736	1.6
135.04538	1.1
135.08159	1.1
149.06134	0.7
149.09732	0.8
149.86610	0.7
156.22400	0.6
163.07658	1.0
163.11212	0.9
165.09219	0.8
167.08685	0.9
173.09720	2.5
179.10776	0.9
181.12332	0.8
183.11832	0.9
185.11786	0.7
185.13326	1.4
189.09216	1.0
191.10765	1.7
191.14354	0.9
199.11330	1.9
199.14900	2.7
201.12833	1.3
203.14433	1.0
205.16061	1.0
213.09184	1.0
215.10722	0.7
216.11537	1.3
217.08698	0.8
217.12105	1.3
219.13885	1.2
219.17561	0.9
229.12392	1.7
233.15363	0.8
235.13257	0.9
237.14948	1.0
237.18611	1.2
249.14961	1.2
255.13837	1.8
255.16090	5.7
262.11530	0.6
263.12817	0.6
267.16074	1.3
269.17569	0.9
271.22745	0.8
295.68723	0.6
313.18024	2.0
407.25815	0.7
423.25394	0.7
425.26996	3.2
453.30261	1.9
455.32336	1.2
463.28433	1.0
481.29745	2.9
484.28421	0.7
499.30731	100.0
500.31082	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	499.3072
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
57.03452	8.0
59.01115	1.0
59.01385	7.4
61.66096	1.0
61.98839	7.3
69.03439	1.9
69.33748	2.6
69.34158	8.0
73.02950	1.3
79.05524	1.5
80.19704	1.0
80.90887	1.2
81.03453	4.0
83.05035	3.9
97.02914	1.3
97.06596	3.1
99.04517	5.3
107.05036	2.4
108.36105	1.1
109.06572	2.4
121.06560	4.3
123.08173	3.1
125.09716	5.9
127.11398	1.2
135.04547	9.5
135.08182	2.4
139.11263	1.6
141.09230	9.6
147.08133	1.6
149.06093	1.8
149.09714	1.3
151.11292	3.8
163.11234	1.5
165.09210	8.7
173.09637	1.3
175.11285	1.5
177.12840	1.9
185.08284	7.1
187.09782	2.5
189.09204	2.9
189.12894	2.0
189.16486	9.0
201.12888	1.4
203.14478	2.6
204.11516	1.7
205.12360	3.9
211.78400	1.1
215.14424	3.9
217.12444	2.2
221.15439	18.0
233.15419	5.2
261.11212	1.2
263.12750	1.9
265.14316	3.0
313.23993	1.3
331.24973	7.9
393.31747	1.6
399.29477	1.2
437.30457	4.2
453.29993	3.2
455.31757	56.5
456.32025	7.8
481.30444	2.5
499.30920	100.0
500.31152	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	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.6
59.01385	77.1
62.07699	4.5
70.39909	9.1
70.40276	8.6
71.01379	11.2
72.97718	4.1
73.02953	9.3
81.68111	4.0
89.02447	7.8
101.02456	5.7
113.02461	7.7
121.06570	4.8
191.99646	3.7
196.78874	4.1
233.15308	4.3
261.88647	3.8
273.22253	11.3
277.21735	100.0
278.22089	8.7
291.23383	32.8
319.22769	13.6
329.93655	4.6
411.05844	4.7
453.29578	4.5
499.31097	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	499.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.2
70.94884	35.4
71.01361	24.8
72.18941	13.2
73.02946	12.6
89.02431	19.0
110.50600	11.7
128.44231	11.9
138.60802	12.6
148.97198	13.4
150.33667	13.1
165.09044	14.4
239.07072	12.4
277.21713	100.0
291.23279	48.7
389.81686	14.9
483.47122	12.3
499.30646	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	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28262	5.7
54.98816	5.2
55.01869	9.0
59.01378	31.2
61.29175	5.0
69.33936	9.1
69.34334	41.9
71.01389	66.3
73.02965	13.5
73.40131	5.3
83.01411	10.7
89.02437	28.9
97.02950	6.5
98.92416	5.6
101.02452	100.0
113.02469	8.0
119.03487	13.6
120.13287	6.8
153.84450	5.7
168.83095	5.6
265.74982	6.0
269.49564	5.5
277.21729	93.5
291.23264	14.4
319.22757	17.0
331.22583	5.9
403.49774	6.0
499.31036	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3068
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
50.12313	2.8
54.06277	3.1
57.03447	38.4
59.01380	24.1
61.98841	3.5
68.57040	3.6
70.21482	14.0
71.01385	29.1
71.05030	9.2
72.99261	3.8
73.02947	8.3
81.74356	3.6
82.39030	3.0
83.01397	3.3
83.05029	34.8
83.36228	3.1
85.02962	8.3
85.06600	5.9
89.02433	17.0
97.02947	4.0
101.02473	19.6
109.06580	4.4
113.02452	16.5
117.14614	3.7
119.03501	4.3
123.08127	4.2
125.09711	21.1
131.03539	5.6
137.09695	7.2
137.57677	3.4
161.09760	21.5
169.48380	3.6
173.13361	16.4
189.12828	3.5
191.14360	8.1
203.14359	4.5
206.79942	4.2
217.12344	31.1
219.13927	5.4
219.17599	13.3
237.18623	9.6
261.11346	16.2
269.76892	3.4
273.17947	3.3
277.21783	42.5
278.21954	6.6
291.23251	12.1
301.21808	7.8
319.22943	16.3
455.31720	85.7
456.31610	12.2
499.30728	100.0
500.30954	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	499.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03454	80.5
59.01382	14.8
61.98838	35.3
66.14830	0.8
70.78369	1.8
71.01387	15.5
72.99295	1.5
73.02977	4.6
75.00865	5.5
81.03464	1.9
82.23515	0.9
83.01433	1.8
85.02966	4.4
87.00871	1.5
89.02445	9.3
95.01446	1.0
97.02963	1.2
97.06549	1.1
99.00893	1.5
99.04530	39.5
100.04893	1.5
101.02454	23.1
102.33624	0.9
109.02955	3.3
110.91013	0.8
113.02444	4.2
119.03525	3.4
120.08211	1.0
121.02958	1.9
122.03710	1.1
123.04497	2.2
125.02467	24.2
131.03557	1.4
133.97765	1.0
135.04562	10.8
135.08179	1.8
137.02484	6.6
139.03990	1.5
143.03505	1.7
146.03758	1.2
151.04005	1.4
151.07680	1.8
161.04610	4.3
163.04022	67.4
164.01047	1.0
164.04451	2.6
165.01979	4.8
177.01955	0.9
177.05531	1.1
178.06375	71.4
179.05449	1.0
179.06779	3.1
179.10710	0.9
184.30223	1.0
193.08711	100.0
194.09026	5.5
202.06599	1.1
203.07158	1.2
295.68481	1.0
301.15628	7.0
337.19977	1.2
337.23761	2.3
481.18561	1.4
499.24048	6.5
499.29572	4.0
499.33365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34317	4.9
55.11863	5.5
57.03450	42.9
59.01385	34.6
59.01628	5.5
69.03456	7.4
71.01382	51.9
71.05019	9.9
73.02937	12.5
77.05936	5.7
83.01395	7.6
83.05016	24.4
85.02952	13.6
85.06602	9.1
89.02440	23.2
96.28044	5.5
98.19840	17.4
101.02446	41.3
113.02459	12.3
121.06587	7.0
125.09718	21.4
131.03520	8.2
132.90640	5.3
161.09734	10.0
163.80772	6.1
173.13310	12.4
175.11159	6.8
191.14418	6.0
203.14319	6.1
217.08745	6.4
217.12320	18.0
219.17476	16.0
221.15562	8.1
237.18517	8.4
261.11285	12.0
264.27051	5.7
277.21744	87.3
278.21854	6.1
291.23352	18.7
301.21823	8.5
305.14154	7.0
319.22748	21.1
364.74512	6.1
455.31610	79.0
456.31927	13.0
481.30173	5.8
499.30768	100.0
500.30872	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12246	0.7
59.01382	18.0
67.96289	0.8
69.54233	5.7
71.01387	22.2
72.01712	0.9
73.02950	7.6
73.15656	0.8
73.90115	0.7
75.13556	1.0
78.95906	66.3
83.01413	1.4
85.02950	3.3
85.71458	0.7
87.00878	1.3
89.02443	25.7
89.54435	0.9
95.01351	0.9
96.96001	43.5
96.96953	100.0
98.19724	0.7
101.02448	66.0
111.00877	0.8
113.02454	11.1
114.05563	1.3
119.03500	8.0
125.02464	1.5
131.03481	5.7
137.77740	0.8
143.03532	5.7
149.04610	1.4
156.06595	1.5
158.08234	14.7
161.04568	7.2
179.04085	1.6
179.05609	28.5
191.05710	1.1
203.05536	1.1
221.06653	13.9
222.06996	1.0
259.02060	4.6
311.09882	2.3
341.10873	20.0
499.11343	2.8
515.41656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.2
59.01382	17.6
69.03497	0.8
71.01391	16.4
72.52674	0.7
72.99307	1.1
73.02951	6.5
78.95908	65.1
79.95746	1.2
83.01390	1.4
85.02950	2.5
85.03439	0.8
87.00897	1.8
89.02449	20.5
96.96007	52.8
96.96961	100.0
97.02955	1.7
101.02450	53.6
102.02749	0.7
113.02459	10.5
114.05649	0.9
119.03525	6.9
125.02436	1.5
131.03502	7.4
143.03487	2.9
149.04547	2.4
158.04620	0.8
158.08217	7.3
161.04579	5.6
178.04738	0.7
179.05618	23.7
203.05611	1.1
221.06662	13.3
225.02643	0.7
259.02231	2.6
311.09793	2.3
341.10867	11.4
381.68588	0.8
453.31815	0.9
494.54361	0.8
499.11777	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	498.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
60.01717	0.2
61.98831	100.0
70.45650	0.7
71.01389	1.5
85.02962	0.6
86.88054	0.2
89.02456	1.0
101.02461	1.3
109.25489	0.2
113.02498	0.4
119.03513	0.3
125.02435	1.1
133.23149	0.2
137.02478	0.2
140.74976	0.2
152.92331	0.2
159.02968	0.2
189.53275	0.2
191.10866	0.3
302.73032	0.2
498.28229	0.7
499.19824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18061	3.9
53.69213	3.7
59.01379	31.1
61.16643	3.8
61.98829	91.5
70.13615	3.7
71.01378	31.1
71.62977	7.7
73.02954	8.3
79.74324	4.3
83.01402	6.8
83.78973	4.3
85.02965	12.0
89.02459	18.5
97.03003	4.1
99.00881	6.5
101.02448	30.0
109.02986	5.2
111.00874	5.4
113.02466	14.2
124.28628	3.9
125.02460	16.3
134.97713	4.1
137.02463	9.9
151.00362	24.4
152.01144	5.5
152.33868	4.0
155.03278	3.9
161.04572	9.9
163.00375	7.4
164.01128	6.8
170.31105	3.6
171.41566	4.1
178.99844	25.2
191.05435	3.9
221.25212	4.3
221.62250	4.2
241.14243	5.1
255.03017	11.6
271.02570	24.6
300.02765	40.8
301.03622	19.3
317.03091	34.5
358.66174	5.1
439.21741	23.5
453.23383	4.2
463.08887	100.0
463.22253	9.1
464.08911	10.8
499.18750	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	497.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
57.03442	1.5
58.00611	0.8
58.85045	0.5
59.01379	20.5
61.98820	2.3
62.37654	0.5
64.54453	0.5
67.72853	0.5
69.27318	0.5
69.78404	1.6
69.78835	1.6
70.38416	0.5
71.01389	16.9
71.05058	0.5
72.99331	0.7
73.02948	4.2
75.00900	0.6
83.01393	2.7
85.02950	8.6
87.00871	0.6
87.04509	1.3
89.02440	6.4
91.82510	0.5
95.01398	1.5
97.02959	0.6
98.19862	0.8
98.43403	0.6
99.00885	1.5
101.02446	10.0
111.00903	0.7
113.02464	5.7
119.03483	2.2
121.06572	0.6
135.08162	4.7
147.08182	0.6
149.06059	0.8
151.07637	2.2
161.04543	0.7
167.08446	0.6
175.11279	1.7
184.17311	0.5
191.10765	2.1
229.15950	5.5
247.17004	4.4
259.17020	1.8
305.19669	0.9
327.21805	0.9
335.22281	38.8
336.22522	3.8
437.23944	2.9
450.35617	0.6
479.30212	2.0
480.30472	0.7
497.27530	100.0
498.27927	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	498.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71562	0.2
59.01384	1.2
61.98836	100.0
63.99266	0.9
65.84634	0.2
71.01395	1.0
74.32594	0.2
74.51341	0.2
79.78712	0.2
81.03461	0.5
83.01402	0.4
85.02954	0.3
89.02463	1.0
93.03474	0.6
98.20675	0.5
101.02464	0.7
118.98116	0.4
119.03555	0.4
119.05052	0.7
123.04553	1.9
125.02457	1.2
167.03499	4.9
179.03531	0.7
273.07715	9.4
273.10477	0.5
274.08121	0.5
435.13043	1.5
491.23499	0.3
499.14951	0.4
511.28311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78902	1.3
54.36993	1.5
55.01871	4.5
57.03444	5.4
58.00587	2.1
59.01381	92.4
61.98831	78.7
69.47926	12.3
71.01382	67.8
72.99331	8.4
73.02946	25.0
81.03437	2.9
83.01396	15.4
85.02953	32.6
86.00051	1.5
87.00880	4.3
89.02441	29.0
92.48171	1.4
95.01366	5.7
96.95970	1.8
97.02934	2.3
99.00871	9.2
101.02445	64.3
102.02787	2.8
103.04008	2.7
109.02921	4.3
111.00933	1.9
113.02451	28.3
119.03503	11.6
123.04549	2.5
125.02435	3.9
131.03506	2.1
135.08130	1.8
137.02419	3.5
143.03503	3.5
149.04572	2.8
153.01910	5.3
154.43816	1.7
155.10765	1.8
159.02962	4.5
161.04553	18.9
165.01962	2.5
179.05582	4.6
203.10834	1.3
205.03502	1.6
291.18137	83.2
292.18561	6.4
293.08640	2.5
305.19449	1.7
329.06372	1.8
335.22241	4.6
380.45419	1.5
385.59894	1.5
437.23898	100.0
438.24164	10.3
497.21497	4.3
497.27267	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	497.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
55.38317	1.2
57.03443	3.3
59.01381	39.4
61.98840	2.8
71.01385	47.1
73.02950	17.4
83.01385	7.3
85.02965	22.0
86.00113	1.8
87.00887	1.9
89.02436	8.0
95.01398	4.0
98.19832	2.7
99.00918	7.1
101.02449	40.8
113.02444	18.6
125.02469	3.0
129.01892	1.6
131.03473	2.7
135.08150	1.5
143.03459	1.6
149.04578	1.6
159.03000	3.8
161.03355	2.4
161.04558	18.0
161.34689	1.5
165.16759	1.5
193.08693	3.0
305.19699	100.0
305.34888	1.3
306.20081	7.8
335.22281	8.9
437.23950	53.9
438.24332	4.7
453.21301	2.5
497.27792	14.2
498.28036	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	497.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.00584	1.2
59.01133	1.5
59.01387	19.1
61.98835	100.0
69.03478	1.7
69.35395	10.0
71.01392	19.7
73.02940	6.1
74.68149	1.1
75.00891	3.1
76.12175	1.1
78.07387	1.2
78.96474	1.4
80.80457	1.2
81.03448	2.4
83.01390	3.4
85.02944	5.9
87.00894	2.4
89.02453	20.1
91.30363	1.4
97.02961	2.6
99.00854	3.3
101.02456	9.0
108.02146	1.2
109.02972	7.9
109.04701	1.3
113.02485	6.4
113.11555	1.2
119.03532	2.4
123.04533	6.3
124.01679	2.0
125.01770	1.4
125.02469	15.4
131.03476	3.0
137.02391	3.9
139.04025	2.1
143.10840	7.6
149.02354	1.6
149.04541	6.1
149.06085	1.8
151.04015	3.7
153.01910	1.8
161.04573	3.6
161.05972	2.5
165.01918	2.5
168.00626	2.5
179.03448	2.6
185.11769	1.4
187.04007	1.6
201.11263	1.4
203.07130	5.7
203.10828	1.6
205.05130	2.9
233.06667	3.0
245.08112	6.5
285.04050	1.7
289.07190	32.4
290.07605	2.1
293.08807	11.1
335.14722	1.4
335.18369	2.2
335.22266	26.8
336.22403	2.5
401.23303	1.5
421.19696	2.4
497.16235	7.6
497.21411	6.5
497.27682	4.1
497.32028	2.3
498.21683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03444	3.6
58.00596	4.1
59.01382	100.0
61.98828	21.9
62.40604	2.1
69.03445	4.9
69.65594	5.7
69.66009	8.5
71.01387	65.0
71.05016	3.2
72.99298	4.7
73.02949	26.4
81.03487	4.1
83.01377	9.6
85.02946	23.4
87.00862	7.1
87.04533	2.0
89.02454	30.1
95.01402	2.2
97.02955	8.4
99.00878	5.2
101.02451	47.9
103.04020	28.7
111.04516	3.9
113.02461	10.1
115.04034	4.1
119.03510	14.6
125.02441	27.3
127.04005	2.5
129.05522	3.0
131.03464	5.9
143.03505	7.8
145.05025	3.6
147.06641	4.3
151.03905	3.0
161.04564	7.8
163.06128	53.1
164.06337	2.9
201.07672	4.1
205.07182	11.7
230.83884	2.1
238.42671	2.1
247.08243	9.4
287.09192	3.5
307.10364	28.9
308.10489	2.1
335.11386	3.0
368.21750	2.1
437.16602	84.3
438.16953	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	497.2171
Annotation	Heteroclitin C
Peak:m/z	Relative Intensity
59.01386	36.3
61.98832	47.9
70.32719	11.4
71.01395	28.7
72.99319	3.6
73.02959	7.6
83.01391	5.0
85.02963	9.4
87.04529	5.4
89.02458	20.1
95.05070	3.4
97.02934	3.7
101.02454	19.0
108.08156	3.3
109.03013	2.9
113.02478	12.2
119.03513	5.7
123.04551	9.1
125.02454	5.9
135.03505	3.2
135.04523	10.8
137.02461	3.6
137.09721	5.2
143.03548	4.4
153.05627	8.5
155.10802	35.5
161.04601	9.9
171.10184	2.7
182.14047	2.5
191.67627	2.7
199.09778	11.0
204.44221	2.9
241.10913	6.8
285.04178	4.0
331.06274	3.4
334.65839	2.7
335.22409	3.3
461.24078	3.8
497.21097	100.0
497.27744	5.6
498.21219	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.00584	1.2
59.01133	1.5
59.01387	19.1
61.98835	100.0
69.03478	1.7
69.35395	10.0
71.01392	19.7
73.02940	6.1
74.68149	1.1
75.00891	3.1
76.12175	1.1
78.07387	1.2
78.96474	1.4
80.80457	1.2
81.03448	2.4
83.01390	3.4
85.02944	5.9
87.00894	2.4
89.02453	20.1
91.30363	1.4
97.02961	2.6
99.00854	3.3
101.02456	9.0
108.02146	1.2
109.02972	7.9
109.04701	1.3
113.02485	6.4
113.11555	1.2
119.03532	2.4
123.04533	6.3
124.01679	2.0
125.01770	1.4
125.02469	15.4
131.03476	3.0
137.02391	3.9
139.04025	2.1
143.10840	7.6
149.02354	1.6
149.04541	6.1
149.06085	1.8
151.04015	3.7
153.01910	1.8
161.04573	3.6
161.05972	2.5
165.01918	2.5
168.00626	2.5
179.03448	2.6
185.11769	1.4
187.04007	1.6
201.11263	1.4
203.07130	5.7
203.10828	1.6
205.05130	2.9
233.06667	3.0
245.08112	6.5
285.04050	1.7
289.07190	32.4
290.07605	2.1
293.08807	11.1
335.14722	1.4
335.18369	2.2
335.22266	26.8
336.22403	2.5
401.23303	1.5
421.19696	2.4
497.16235	7.6
497.21411	6.5
497.27682	4.1
497.32028	2.3
498.21683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18056	0.4
52.98036	0.3
58.37976	0.3
59.01376	0.5
61.98831	1.5
69.38858	2.8
72.95612	0.3
78.95906	64.4
83.05039	0.4
90.27128	0.4
96.96964	5.3
104.11231	0.4
110.03379	0.3
129.51476	0.3
150.98038	2.0
152.99593	100.0
153.99959	1.4
171.00636	2.2
180.27612	0.4
255.23337	2.1
291.15973	0.4
409.23593	38.8
410.24020	3.9
433.23666	2.1
439.88992	0.4
496.26855	6.4
497.28726	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	496.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32525	0.6
55.88463	0.7
57.03452	0.7
59.01373	2.3
61.40168	0.6
61.98832	100.0
70.40262	2.3
72.99361	0.7
80.20592	0.6
83.05055	0.8
175.50661	0.6
189.42889	0.6
316.26157	0.7
347.84668	0.8
483.34286	0.8
496.28177	2.0
497.28745	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	496.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32525	0.6
55.88463	0.7
57.03452	0.7
59.01373	2.3
61.40168	0.6
61.98832	100.0
70.40262	2.3
72.99361	0.7
80.20592	0.6
83.05055	0.8
175.50661	0.6
189.42889	0.6
316.26157	0.7
347.84668	0.8
483.34286	0.8
496.28177	2.0
497.28745	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	497.1667
Annotation	Globulusin B
Peak:m/z	Relative Intensity
50.87894	0.6
53.88924	0.6
54.05474	0.6
55.89171	0.6
57.55820	0.7
61.78462	0.7
61.98821	1.0
69.03437	2.6
69.37276	6.3
81.03429	1.0
83.01391	1.3
95.01358	1.2
97.02949	3.2
107.01389	1.1
108.02161	0.6
109.02958	0.8
115.37736	0.8
123.00884	7.1
124.01658	21.4
125.02451	52.3
126.02775	1.3
137.02438	3.1
149.99586	27.7
151.00345	3.3
167.03467	1.2
168.00639	61.4
169.01372	5.7
186.31789	0.7
261.07660	1.9
313.05698	2.4
497.16647	100.0
498.16956	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	496.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	6.3
61.98827	6.9
63.71605	1.8
71.63732	3.1
78.21601	2.0
78.95908	69.6
83.05018	2.8
83.95190	1.9
90.17452	1.9
96.96976	3.4
132.54118	2.2
147.07974	2.3
152.99593	100.0
201.12813	3.8
249.15062	4.4
250.15303	5.3
278.32813	2.4
293.10388	2.5
433.23563	39.9
433.29050	4.0
434.24219	4.9
478.07999	2.4
496.27521	13.5
497.04980	2.3
497.29083	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	496.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
61.98832	100.0
69.03461	0.4
69.36666	0.5
69.37080	1.2
71.01387	0.7
75.00885	0.2
83.01385	0.4
85.02940	0.3
89.02425	0.2
92.20913	0.2
93.03475	0.3
93.13100	0.2
95.01384	0.4
97.02983	0.4
101.02461	0.4
108.02213	0.6
109.02978	0.9
110.26300	0.2
111.32446	0.2
113.02505	0.3
123.00930	0.7
124.01672	2.0
125.02467	4.2
126.02847	0.5
127.02981	0.3
137.02521	0.4
149.99590	2.6
151.00241	0.3
153.01945	0.5
159.35127	0.2
168.00632	4.9
168.01945	0.4
169.01025	0.9
170.01161	0.6
171.01447	0.3
177.52333	0.2
189.01913	0.2
201.43936	0.2
214.79961	0.2
285.04059	0.3
342.07190	0.4
350.22714	0.5
351.16174	0.2
433.09689	0.3
436.22305	0.2
496.10519	4.7
497.16599	7.5
497.27454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43039	2.2
57.03443	2.6
59.01385	5.4
61.29707	2.5
61.98820	7.9
71.63693	2.6
73.02921	3.0
78.95905	50.6
83.05044	4.8
96.96962	5.9
111.04534	3.2
151.07672	2.6
152.99582	100.0
171.00624	4.3
210.12830	2.2
246.97444	2.5
320.78259	2.5
353.30658	2.5
433.23572	32.3
496.27524	6.8
497.29221	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.98830	24.2
70.78034	2.3
70.78365	2.4
71.01376	2.0
72.74275	1.6
89.02458	2.0
98.19886	1.8
107.01440	1.5
108.02184	1.5
125.02405	2.8
151.00385	4.6
159.51758	1.4
163.06065	1.6
168.00581	1.5
178.99864	2.8
243.02946	7.2
255.02925	17.0
271.02435	40.4
272.02951	4.9
300.02740	87.0
301.03397	24.5
433.07715	100.0
434.07993	11.2
438.20236	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	496.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01381	4.6
60.01722	0.3
61.01808	0.5
61.98831	100.0
65.00319	0.4
70.24684	1.0
71.01389	3.8
72.01732	0.8
72.99323	0.3
73.01840	0.3
73.02951	1.1
74.99084	0.2
83.01392	1.6
85.02977	1.4
86.03299	0.3
87.00875	0.6
88.98826	0.4
89.02430	2.1
90.02767	0.3
93.03488	0.9
95.01411	0.3
95.77836	0.3
97.02946	0.4
99.00877	0.5
99.50541	0.3
101.02432	1.3
102.71406	0.3
107.01389	1.1
108.08250	0.3
109.02991	1.9
110.03267	0.7
113.02457	0.7
121.02946	3.8
122.03141	0.4
122.03725	2.0
123.00884	0.9
123.04118	0.5
124.01658	1.5
125.02454	6.2
135.04515	0.4
136.05246	0.2
137.02423	1.3
145.02869	0.4
147.04518	1.7
148.04913	0.9
149.02457	0.5
149.06136	0.4
149.99606	1.2
151.00369	4.6
151.04034	0.6
153.01920	0.3
160.05302	0.4
161.02435	0.4
161.06105	0.7
162.06601	1.0
163.03993	0.3
163.06728	0.3
165.01915	0.3
165.04266	0.5
165.05559	4.2
166.05923	2.6
167.06096	1.6
168.00620	2.7
168.06371	0.5
169.01407	2.4
175.00298	0.5
177.02003	0.5
177.08215	0.3
179.03548	0.4
179.07149	0.9
180.07468	1.2
181.07637	0.5
189.01955	0.5
190.02301	0.3
191.07060	0.3
193.01401	0.4
289.07175	0.5
290.09900	0.4
290.12595	0.5
299.12430	0.5
300.02667	0.5
313.14490	0.5
313.89368	0.3
314.14816	0.7
315.15182	0.7
316.15466	0.6
317.12888	0.5
318.13821	0.4
330.13864	0.3
341.06918	0.8
342.07092	0.7
343.15393	0.5
344.15829	0.7
345.16034	0.9
346.16238	0.9
347.14572	1.0
348.14935	0.6
349.14951	0.7
361.16614	3.4
362.16910	9.5
363.17142	13.7
364.17389	11.6
365.17566	0.4
433.07846	0.4
489.93362	0.3
495.21405	6.2
496.21661	16.0
497.16525	13.5
497.22189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
57.42950	0.3
59.01379	5.1
61.98832	17.8
67.99080	0.4
71.01388	3.6
71.64589	0.6
72.99313	0.6
73.02969	0.8
78.95927	0.4
83.01424	0.4
85.02956	1.0
87.00899	0.6
89.02457	2.2
99.00892	0.7
101.02444	2.3
101.35655	0.4
109.24850	0.5
113.02495	1.4
119.03548	0.6
119.46832	0.4
122.03747	5.5
122.06191	0.6
124.01611	0.6
125.02438	0.6
133.02696	0.4
137.06093	0.5
152.03539	100.0
153.03891	3.4
165.01907	0.5
167.03525	0.5
188.07137	0.6
199.06372	2.5
213.08051	0.6
213.90111	0.4
216.06706	0.9
217.07558	0.6
228.10291	1.3
246.11290	0.7
251.88658	0.4
272.09274	10.3
273.09583	1.0
295.96201	0.5
305.16095	0.5
316.05469	0.7
379.12802	0.6
437.20401	1.2
496.12250	5.2
496.24683	0.6
497.12418	0.7
497.26443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
58.00605	0.7
59.01386	10.4
61.98835	100.0
63.99281	0.6
66.03510	0.8
69.03476	0.7
69.56457	1.0
69.56874	2.7
71.01390	11.7
72.01721	0.7
72.99332	1.2
73.02943	2.7
83.01408	2.2
85.02942	3.8
87.00876	0.6
87.04539	1.9
89.02447	5.9
95.05029	0.7
98.19793	1.2
99.00893	1.5
101.02452	8.5
108.02170	3.1
109.02972	2.2
110.02474	5.2
113.02446	4.1
114.08946	0.6
119.03529	1.9
123.04544	1.1
125.02446	2.6
125.47276	0.6
131.03502	0.7
135.08203	0.5
135.43416	0.5
137.02454	1.5
137.09775	0.6
138.03281	0.5
143.03529	0.7
148.74167	0.5
151.04016	1.0
151.07635	0.7
152.01176	2.0
159.03056	0.6
161.02536	1.2
161.04515	2.6
167.03481	0.8
168.00569	0.5
175.04004	0.7
177.01924	1.0
179.05687	1.2
189.02020	0.9
190.02501	0.8
191.03506	0.6
285.04245	1.6
289.07291	1.1
291.18307	1.2
293.08954	1.3
295.63898	0.6
304.18613	1.2
329.06705	0.7
331.06305	0.8
341.06870	1.5
342.06924	3.3
364.24365	1.6
386.63049	0.6
436.23126	1.3
437.23492	1.4
496.20795	1.2
496.28094	2.3
497.20920	4.1
497.27951	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04002	0.7
53.69741	0.8
57.03440	2.1
58.00610	1.0
59.01384	41.2
61.98516	1.3
61.98830	19.6
67.09664	0.7
69.03458	3.3
71.01386	30.9
71.43896	0.7
72.99319	1.6
73.02950	12.7
75.00877	1.1
79.52080	0.8
81.03453	1.1
83.01382	10.5
83.71022	0.8
85.02950	17.3
86.06166	0.7
87.00874	1.9
87.36343	0.9
89.02435	6.3
93.03445	0.9
95.01397	3.8
96.96009	2.4
97.02947	3.0
99.00880	4.7
101.02448	31.9
103.04055	1.1
109.02974	1.0
111.00853	0.9
113.02452	13.7
119.03514	1.9
119.94387	0.7
121.02950	0.8
122.97606	1.2
123.00906	4.3
123.04527	1.5
124.01659	12.2
125.02454	30.0
126.02842	1.6
127.77727	0.9
137.02444	2.6
141.09248	1.3
143.03514	2.3
149.02408	0.9
149.99585	19.4
151.00371	1.6
151.07646	1.1
159.03003	3.6
161.04562	14.2
168.00642	28.5
169.01360	2.3
179.03432	0.8
179.05568	1.1
181.05020	1.8
229.62291	0.8
282.16727	1.0
289.16574	44.1
290.17004	3.1
313.05847	1.0
333.10324	1.3
343.78125	0.8
435.22339	100.0
436.22690	10.5
477.10672	1.2
495.11493	48.4
495.19046	6.9
495.26102	1.6
496.11838	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41332	1.7
55.01876	4.7
57.03440	5.0
59.01382	80.4
61.98831	91.2
69.03461	2.6
71.01384	69.9
72.99300	4.4
73.02949	32.2
75.00864	3.0
81.03457	1.7
83.01390	16.3
85.02949	36.1
87.00887	4.0
88.98817	1.8
89.02444	12.6
95.01392	4.1
97.02941	5.6
99.00877	13.3
101.02444	59.3
103.04020	6.7
108.02187	1.8
113.02451	29.8
119.03493	3.2
123.04533	22.9
125.02428	12.5
127.11333	1.7
135.04442	1.8
137.02434	11.5
138.46404	1.6
143.03520	4.5
145.05013	2.7
149.02351	2.0
152.04720	4.0
153.05576	30.0
159.02989	5.0
161.04565	25.4
163.06123	5.9
165.01912	2.7
166.02701	4.5
167.07143	5.4
203.19312	1.5
247.08322	2.3
289.16571	66.6
290.16968	5.0
300.28534	2.0
349.22284	4.8
350.22839	1.6
435.22357	100.0
436.22729	14.1
495.19299	7.1
495.27744	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	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71217	1.3
54.78028	1.5
55.01884	1.8
57.03442	1.8
57.39254	1.4
58.00591	4.0
59.01385	100.0
61.98837	23.1
70.27458	6.9
71.01387	78.6
72.99297	2.0
73.02958	10.6
83.01400	4.1
85.02945	10.7
87.00871	3.7
89.02450	99.0
90.02757	1.8
97.02915	2.0
98.92191	1.5
99.00867	3.2
101.02449	48.4
106.26975	1.7
113.02455	24.0
119.03500	21.8
125.02438	4.9
131.03517	26.5
137.02483	1.9
138.03197	1.8
143.03539	5.3
149.04565	58.4
161.04568	5.0
165.01953	3.7
177.01906	1.8
179.05598	22.7
191.05621	11.9
237.12300	1.6
247.01323	1.5
293.08887	2.1
303.18130	7.4
435.22363	46.5
436.22626	4.4
495.20328	6.1
522.42096	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2739
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
57.03464	6.3
59.01386	29.5
60.32012	3.1
61.98838	43.9
62.30561	2.6
71.62115	4.4
73.02949	4.6
75.00885	3.2
83.05051	4.0
97.06606	8.9
107.05035	4.6
111.04505	4.5
117.17647	3.6
120.41109	2.9
121.06612	7.2
123.00821	2.9
123.04534	3.8
123.08146	3.6
125.09683	3.1
133.06599	5.9
134.39534	2.9
135.08194	4.0
139.07724	4.3
139.50458	3.5
147.08228	3.0
149.06035	5.6
156.75459	2.9
163.04543	3.2
170.84084	3.5
173.09703	3.3
177.09167	3.0
187.11189	3.7
201.12926	5.4
203.10829	4.4
203.14424	7.7
205.12329	4.3
213.12950	3.3
230.77888	3.0
231.13882	9.6
245.11783	3.5
247.13341	4.8
259.09543	4.2
263.12674	3.9
294.35645	3.1
343.75464	3.3
433.27454	5.8
449.26874	5.9
451.28644	5.3
477.26697	4.5
495.27737	100.0
496.28339	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	496.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.3
61.98832	71.6
67.00714	1.3
68.56668	0.9
69.44501	2.5
69.44906	6.5
70.00598	0.9
71.01371	3.0
81.22723	1.0
85.02923	1.2
101.02443	2.7
107.01408	2.5
109.02929	2.8
113.02470	1.5
125.02450	1.9
149.02371	1.3
151.00406	6.7
154.05124	1.2
161.04529	1.1
163.00371	1.4
166.05095	7.5
168.00638	2.5
178.99870	3.9
215.50937	0.9
227.03601	1.4
229.04971	1.0
243.02916	5.6
245.04498	1.1
254.02289	1.6
255.02957	17.6
255.55791	1.2
256.03458	1.0
271.02481	37.2
271.05374	2.3
271.09772	1.4
272.02911	4.0
298.04492	1.1
300.02740	73.2
301.03491	44.4
302.03870	3.1
318.35083	1.1
406.31470	1.3
433.07745	100.0
434.08038	10.5
495.31812	1.2
496.15274	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	495.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
59.01383	9.2
60.99306	14.5
61.98833	21.1
65.17110	1.1
65.93980	1.0
68.83614	0.9
71.00166	2.8
71.01382	7.8
72.99303	1.9
73.02943	3.0
75.00874	4.3
83.01403	1.4
84.20444	1.1
85.02959	3.7
87.00863	4.3
88.00404	3.0
88.98807	100.0
89.02451	35.0
97.42161	1.2
99.92570	1.5
101.02448	6.4
109.02950	1.0
111.00867	1.2
113.02452	3.4
116.92844	3.8
120.99657	1.4
121.02933	2.2
122.99277	2.1
125.02424	3.0
137.02411	1.5
144.04529	1.8
149.04491	1.2
151.03944	1.3
152.29594	1.1
161.04558	3.5
163.06064	1.1
165.01923	1.7
179.05705	1.7
333.09930	1.5
347.12875	1.2
382.85843	1.1
436.10147	2.1
440.10867	1.3
495.14990	1.1
495.23672	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	495.1511
Annotation	Curculigine
Peak:m/z	Relative Intensity
57.03447	0.7
59.01380	5.7
61.98830	26.1
62.14128	0.6
62.51286	0.6
66.96585	0.5
69.03452	0.9
69.33022	3.3
69.33449	2.9
71.01389	7.1
73.02945	1.7
81.03487	1.5
85.02956	6.9
89.02438	1.3
93.03457	1.1
95.01385	4.8
97.02998	0.7
99.00880	0.9
99.71956	0.7
101.02425	4.2
108.02175	100.0
109.02966	60.0
110.03280	1.9
110.38629	0.7
113.02448	2.7
121.02928	1.4
123.00876	4.2
123.04536	1.9
125.02447	2.3
135.08069	0.7
137.02434	1.3
148.42360	0.6
151.04018	2.3
152.01152	82.0
153.01953	26.7
153.09213	6.4
154.02283	0.7
161.04468	1.0
163.04016	1.5
165.01909	1.6
167.03528	0.8
168.00607	1.0
187.03851	0.8
201.05435	0.6
216.44495	0.6
225.19934	0.6
226.03519	0.6
229.00940	0.6
247.58139	0.6
286.04407	0.8
310.91168	0.7
315.07205	4.5
331.06525	0.6
343.58804	0.6
372.23788	0.7
432.09933	2.2
435.22290	2.5
451.16068	33.0
452.16525	4.2
477.13818	0.8
495.15005	94.6
496.15338	12.0
511.27036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69707	0.7
58.00574	0.9
59.01379	21.8
61.98832	20.8
68.05297	0.7
68.25182	0.8
69.42370	7.4
69.53834	0.8
71.01386	14.7
72.99311	1.5
73.02938	0.7
80.05066	1.5
83.01363	0.8
85.02950	3.9
87.00887	1.1
89.02441	12.9
95.01401	1.4
98.20580	1.2
99.00821	1.2
101.02448	7.5
108.04554	7.7
109.02961	9.9
113.02455	6.4
119.03485	5.0
119.04967	1.0
122.06088	1.6
123.00928	5.0
123.04545	10.1
131.03548	1.0
133.02946	1.6
136.07674	15.2
138.03264	7.5
138.05580	1.8
143.03459	1.0
145.02995	1.1
147.00920	0.9
147.03264	1.7
147.04489	2.8
149.02417	1.9
149.06085	1.3
151.04015	4.1
153.05582	1.9
161.02394	1.3
161.04543	1.0
162.03194	1.3
162.05627	5.8
175.00357	1.1
176.01180	1.4
177.01921	15.7
184.71991	0.8
187.03886	1.2
189.01933	33.2
190.02722	11.4
191.03468	6.7
203.03578	4.0
205.05029	3.6
213.06647	1.5
216.00659	6.0
216.99345	1.7
217.01396	25.1
218.02007	2.2
219.02937	8.8
220.03300	1.0
227.11861	1.9
229.09766	1.2
231.02991	8.1
238.07436	2.2
242.06946	2.3
243.02950	1.1
243.11507	1.0
244.45198	0.9
253.09723	4.4
254.10545	0.9
255.11295	1.1
256.08511	2.5
270.09897	2.2
271.10867	100.0
272.11203	8.4
281.04379	1.2
285.03836	1.0
289.07291	3.8
289.11926	2.7
299.01746	1.3
299.50592	0.9
300.02805	1.2
311.95288	0.9
313.03461	1.9
314.04092	1.0
315.05075	2.0
323.05573	1.2
341.06702	66.3
341.57819	2.4
342.07095	5.6
355.08282	7.0
371.07758	4.5
409.16583	1.0
431.65164	0.8
433.16132	1.3
435.14615	0.9
451.16925	0.9
495.12628	24.7
496.13690	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	495.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.2
61.98837	30.4
71.01043	1.1
71.01389	13.7
72.99297	2.2
77.47204	1.1
80.05076	1.0
81.32222	1.0
84.88595	1.0
85.02958	5.7
87.00847	1.7
89.02460	13.4
95.01359	2.6
95.05041	1.2
98.19908	2.3
101.02447	8.7
108.04562	9.0
109.02965	14.0
111.00795	1.1
113.02454	5.3
119.03473	3.3
119.05006	1.8
121.02939	1.8
121.05265	1.5
122.06039	1.8
123.00879	6.6
123.04537	11.5
123.82895	1.0
133.02942	1.6
136.07693	13.5
137.02385	1.2
137.07944	1.1
138.03250	9.9
138.05598	1.2
145.02884	2.7
147.00780	0.9
147.03253	1.9
147.04448	3.2
149.02371	2.5
149.06058	2.0
150.03119	1.4
150.05406	0.9
151.04018	6.9
153.05484	3.8
159.04414	1.3
159.75150	1.1
161.02415	2.7
161.04530	1.4
161.18871	0.9
162.05600	4.9
175.00293	1.6
176.01006	1.4
177.01941	18.9
179.05699	1.1
183.06905	1.0
187.03854	1.6
189.01945	43.6
190.01228	0.9
190.02721	14.5
191.03522	9.3
203.03571	5.3
205.05064	5.8
213.06560	1.9
216.00661	8.2
217.01421	32.8
218.02061	2.1
219.03020	13.4
220.03091	1.2
223.14915	1.2
228.08923	1.3
229.59288	1.1
231.02980	10.3
233.04233	1.2
238.07256	1.5
241.05786	1.2
242.02135	1.4
242.06836	1.6
253.09668	3.8
270.01718	1.7
270.10159	1.3
271.02435	2.2
271.10898	100.0
272.11298	7.8
281.04443	1.4
289.07117	5.2
289.11880	1.5
297.07553	1.5
299.01859	1.2
313.03378	3.0
314.04141	2.2
315.04947	2.4
323.05576	1.2
326.05328	1.4
331.07971	1.3
341.06723	91.3
341.57657	4.5
342.07150	9.0
355.08261	10.7
371.07800	6.2
438.75961	1.1
451.16953	1.3
495.12701	35.9
495.23703	2.4
496.13275	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	495.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52653	0.6
57.03450	0.7
57.88951	0.6
59.01387	5.5
61.98836	14.3
69.58083	4.1
71.01378	3.4
73.02959	1.3
81.03474	0.7
83.01385	1.3
85.02968	1.5
89.02469	2.4
89.03987	0.7
93.03492	1.1
95.01409	1.2
95.05048	2.3
98.20624	0.8
101.02441	4.2
103.05537	0.5
108.02186	1.6
109.02965	15.8
109.03671	1.1
113.02474	1.0
119.03556	0.7
119.05063	1.7
121.02974	1.1
122.03732	1.7
123.00905	9.2
123.04536	15.9
125.02454	1.7
133.03014	2.7
135.00969	1.0
135.04524	1.2
137.02480	1.6
138.03246	11.8
139.03937	0.9
145.02979	2.5
146.03714	0.6
147.04526	4.2
149.02454	2.0
150.03204	1.2
151.04028	7.1
153.05600	4.7
155.10741	0.6
159.04584	1.8
161.02475	2.3
161.05989	0.9
163.03961	1.0
175.00340	0.9
175.04056	0.9
176.01170	1.2
177.01944	25.6
178.02275	1.2
187.04057	2.5
189.01949	55.1
190.02719	16.2
191.03517	13.6
203.03516	5.9
203.07198	1.3
205.05034	3.9
216.00636	8.7
217.01431	38.9
218.01981	4.2
219.03006	13.7
220.03261	0.8
229.04921	0.6
231.03033	11.5
231.05211	0.5
232.03560	1.0
233.04526	1.1
242.68602	0.6
245.08188	0.7
264.04199	0.6
271.06128	3.4
281.04617	1.8
289.07211	5.6
289.16577	1.1
297.07709	2.1
303.18240	0.7
315.19522	0.6
323.05737	2.0
329.06393	0.7
331.08224	1.7
341.06674	100.0
342.07001	9.6
343.08276	1.4
355.08264	10.0
356.08759	0.8
363.23853	1.4
371.07751	7.6
435.22571	2.0
494.30856	1.1
495.12985	39.4
495.26859	2.2
496.13464	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	495.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52653	0.6
57.03450	0.7
57.88951	0.6
59.01387	5.5
61.98836	14.3
69.58083	4.1
71.01378	3.4
73.02959	1.3
81.03474	0.7
83.01385	1.3
85.02968	1.5
89.02469	2.4
89.03987	0.7
93.03492	1.1
95.01409	1.2
95.05048	2.3
98.20624	0.8
101.02441	4.2
103.05537	0.5
108.02186	1.6
109.02965	15.8
109.03671	1.1
113.02474	1.0
119.03556	0.7
119.05063	1.7
121.02974	1.1
122.03732	1.7
123.00905	9.2
123.04536	15.9
125.02454	1.7
133.03014	2.7
135.00969	1.0
135.04524	1.2
137.02480	1.6
138.03246	11.8
139.03937	0.9
145.02979	2.5
146.03714	0.6
147.04526	4.2
149.02454	2.0
150.03204	1.2
151.04028	7.1
153.05600	4.7
155.10741	0.6
159.04584	1.8
161.02475	2.3
161.05989	0.9
163.03961	1.0
175.00340	0.9
175.04056	0.9
176.01170	1.2
177.01944	25.6
178.02275	1.2
187.04057	2.5
189.01949	55.1
190.02719	16.2
191.03517	13.6
203.03516	5.9
203.07198	1.3
205.05034	3.9
216.00636	8.7
217.01431	38.9
218.01981	4.2
219.03006	13.7
220.03261	0.8
229.04921	0.6
231.03033	11.5
231.05211	0.5
232.03560	1.0
233.04526	1.1
242.68602	0.6
245.08188	0.7
264.04199	0.6
271.06128	3.4
281.04617	1.8
289.07211	5.6
289.16577	1.1
297.07709	2.1
303.18240	0.7
315.19522	0.6
323.05737	2.0
329.06393	0.7
331.08224	1.7
341.06674	100.0
342.07001	9.6
343.08276	1.4
355.08264	10.0
356.08759	0.8
363.23853	1.4
371.07751	7.6
435.22571	2.0
494.30856	1.1
495.12985	39.4
495.26859	2.2
496.13464	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	494.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
60.99312	0.4
61.98829	100.0
66.41518	0.5
71.01398	2.5
71.61506	0.3
71.61923	0.5
72.99335	1.1
73.02920	0.6
75.00886	2.5
81.49005	0.4
83.01379	0.4
85.02969	0.7
87.00880	0.9
88.98785	2.5
89.02435	3.0
94.67086	0.4
96.95968	0.4
97.83080	0.4
98.97868	0.5
99.00911	0.6
99.92573	0.8
101.02426	2.9
101.15398	0.4
102.05610	0.6
112.30218	0.4
113.02431	0.8
115.92065	0.9
116.92863	7.5
119.03522	0.6
120.99461	0.4
122.00883	0.5
125.02469	1.3
128.03571	0.5
131.03468	0.4
140.07176	14.9
146.04614	0.8
149.04593	0.6
153.01941	0.5
161.04588	0.7
163.06125	0.7
210.07655	0.5
254.06709	0.8
293.08771	2.5
302.12451	0.5
307.10165	0.4
333.09790	0.4
433.24619	0.9
434.16504	2.3
434.25143	0.8
495.07928	1.0
495.25067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
58.19070	1.5
59.01373	7.1
61.98838	13.7
69.69261	11.2
72.76322	1.6
73.02934	1.7
78.95908	47.6
83.05036	3.2
85.45891	1.8
96.96970	5.1
97.06581	1.7
110.05142	2.3
133.06561	2.4
135.08099	2.2
150.97939	2.2
152.99597	100.0
171.00624	3.7
189.71907	1.7
218.14629	1.7
219.13824	4.2
238.19507	2.4
313.16757	2.0
397.69891	2.2
405.30362	1.9
415.26611	2.1
431.21957	24.1
432.22183	4.3
449.26563	2.2
451.28259	3.7
476.10803	2.1
494.26285	8.5
495.27377	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	495.1145
Annotation	tarocin A1
Peak:m/z	Relative Intensity
53.48581	0.7
57.03445	1.5
57.27636	0.6
59.01379	18.5
61.98518	1.2
61.98829	20.7
62.39031	0.6
69.03462	4.2
71.01386	13.7
71.39576	1.2
72.99327	0.9
73.02943	4.2
79.01900	0.7
81.03459	1.4
82.34727	0.6
83.01398	5.5
85.02949	6.4
87.00881	1.2
89.02444	4.5
91.28604	0.6
93.03437	1.2
95.01385	3.6
96.95990	0.7
97.02943	5.2
99.00868	2.2
101.02441	14.0
101.03461	0.6
102.02747	0.6
103.04025	0.5
104.56617	0.6
105.20529	0.6
107.01398	1.4
108.02171	2.7
109.02949	1.9
111.00888	1.0
113.02480	5.1
113.47788	0.6
115.04037	0.6
119.03511	1.0
119.05049	0.7
121.02929	1.2
122.03812	0.8
123.00897	8.4
123.04508	3.6
124.01668	22.9
125.02454	59.1
126.02802	1.5
136.01628	0.8
137.02457	4.3
138.03300	0.6
139.03996	0.8
149.02376	1.0
149.99596	39.0
151.00415	4.0
151.03976	1.1
151.07616	4.4
152.01215	1.0
154.91608	0.6
159.03003	1.9
161.02441	1.0
161.04529	4.3
165.01961	1.2
166.02545	0.8
166.99760	1.1
167.03482	2.1
168.00653	61.5
169.01392	5.4
176.01213	0.9
177.01978	1.2
179.03529	1.0
181.05067	4.9
191.03477	0.7
202.19347	0.6
277.02863	0.8
289.11783	0.9
289.16565	15.5
290.10535	0.8
293.08929	0.7
308.78751	0.6
313.05606	2.6
333.10132	1.2
333.19492	0.8
348.69254	0.7
397.22485	0.7
435.22321	31.6
436.22827	1.6
459.18463	1.8
477.10632	2.9
495.11407	100.0
496.11783	12.8
496.18765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38903	0.4
59.01383	5.8
59.87788	0.4
61.58564	0.4
61.98835	100.0
62.96762	0.4
67.78248	0.4
71.01379	4.8
71.63224	0.5
73.02957	1.6
83.01410	0.9
85.02970	2.5
87.00879	0.9
89.02465	2.5
99.00906	1.0
101.02452	4.2
106.06664	0.5
108.02193	2.4
108.90216	0.4
109.02979	1.5
113.02456	1.3
119.03587	0.9
123.04547	0.7
125.02447	1.7
137.02449	1.0
143.03625	0.5
149.99634	0.9
152.01180	3.2
161.04625	0.9
167.03499	4.3
168.00682	1.1
179.05811	0.6
189.02003	0.8
227.03531	4.2
228.04118	0.5
229.05252	0.6
255.03001	7.3
256.03610	1.0
283.06107	0.5
284.03265	8.2
285.04028	7.6
289.16678	0.5
293.84970	0.5
301.16711	0.8
311.05768	1.9
341.06647	1.0
349.22382	0.9
431.09811	14.9
432.10162	2.2
434.21167	2.6
435.22299	1.0
493.30182	2.6
494.10059	2.4
494.30698	2.0
495.15213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01382	12.6
61.98833	67.5
71.01394	8.5
71.63161	1.6
73.02972	1.9
77.03941	1.7
79.01906	1.1
83.01373	1.3
85.02943	2.4
87.04511	1.4
88.98807	8.6
89.02442	5.1
89.28074	1.2
93.03467	3.4
99.04488	1.6
101.02452	6.9
113.02446	2.6
117.03462	8.5
119.03516	1.6
119.05035	1.4
121.02984	2.4
125.02472	1.9
135.04503	2.3
149.02397	3.3
155.10794	11.1
159.04416	1.5
161.02475	3.1
161.04521	1.5
163.03987	3.6
163.14058	1.4
191.03442	2.4
199.09819	3.3
239.07262	1.5
248.90182	1.3
268.03839	3.0
269.04541	2.8
281.04581	3.4
282.05252	2.3
283.06137	46.0
284.06412	3.6
293.04559	3.5
295.06171	1.8
311.05603	86.2
312.05859	7.3
315.12326	2.6
323.05649	4.1
341.06677	6.6
405.15100	1.5
420.17444	3.5
431.09830	100.0
432.10117	10.5
495.20087	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	494.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53399	0.3
58.00591	0.4
59.01384	10.8
61.98836	100.0
71.01390	7.1
71.63507	0.4
72.01723	0.4
72.99294	0.6
73.02953	1.1
78.84090	0.3
83.01401	1.0
85.02952	2.1
87.00898	0.8
87.03063	0.4
88.98774	0.4
89.02457	5.5
93.03488	0.6
95.01421	0.6
99.00861	0.5
101.02442	5.0
102.02829	0.5
106.06699	0.4
108.04549	2.3
109.02962	3.7
113.02456	2.2
117.03439	0.4
119.03536	1.6
121.02981	0.8
121.48572	0.3
122.03826	0.6
122.06163	0.5
123.00925	1.6
123.04551	2.7
124.01679	0.4
133.03008	0.5
136.03961	0.5
136.07687	3.7
137.02484	0.9
138.03265	1.8
138.05617	1.0
139.11316	0.9
140.11667	0.6
147.03362	0.5
147.04544	0.9
149.02487	0.4
149.06134	0.6
150.97934	0.4
151.04036	1.5
153.05583	0.8
161.02486	0.5
161.04610	1.3
162.05623	1.2
164.03557	3.0
165.05582	0.7
177.01927	4.3
179.05637	0.5
183.10350	1.1
189.01949	9.3
190.02756	2.9
191.03534	1.9
203.03532	0.9
205.04979	0.6
216.00719	1.7
217.01437	6.1
219.02991	2.6
231.02930	2.0
240.04411	0.4
243.11545	0.5
253.09810	0.8
268.03775	10.2
269.04422	3.7
270.05017	0.4
270.10242	0.5
271.06302	0.8
271.10886	22.6
289.07339	0.9
289.11877	2.3
297.07614	0.5
326.05139	0.5
329.23383	0.4
332.18140	0.5
333.11099	1.1
333.19473	0.7
341.06659	17.7
344.16165	0.7
347.24536	1.9
348.24759	1.7
355.08218	2.2
361.16760	0.7
362.17151	1.7
371.07846	1.6
421.13821	0.4
431.09854	10.0
432.10266	1.0
434.25098	0.4
451.17792	0.7
493.22009	0.6
494.21838	5.9
495.12643	6.8
495.23840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	92.1
61.98831	2.0
69.92599	5.9
79.05544	2.3
82.96803	1.4
83.05042	2.5
98.20605	1.9
111.04516	12.7
115.79456	1.5
121.02995	1.8
121.06583	3.6
122.03764	8.3
123.04530	24.4
135.08173	3.0
137.09753	3.8
139.07660	11.9
154.02719	4.1
178.05490	1.7
180.65762	1.5
181.08754	4.0
323.29471	12.9
361.34705	10.7
389.34262	100.0
390.34433	12.3
407.35260	17.6
408.35843	1.9
433.33112	11.0
449.40057	2.1
493.34802	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15845	0.2
61.98832	100.0
64.97259	0.2
69.52516	1.3
69.52921	0.5
98.20617	0.5
107.01405	0.3
151.00435	0.2
181.10732	0.2
183.10272	0.2
187.03917	0.3
227.03484	5.4
229.05136	0.6
229.54730	0.3
245.89841	0.2
255.02988	8.1
256.03629	1.3
257.04709	0.4
275.16333	0.2
283.63788	0.3
284.03265	11.3
285.04019	9.8
286.04449	0.6
414.31494	0.2
431.09808	17.6
432.10199	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	493.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.0
59.01386	100.0
60.01718	1.0
61.98839	27.1
64.39679	0.5
64.64652	0.5
65.38565	0.5
71.01383	3.9
73.02937	1.5
76.24804	0.6
83.05038	0.5
85.02966	1.3
87.00949	0.6
89.02470	2.1
90.37709	0.5
95.01418	2.0
95.45346	0.7
99.00893	0.7
99.04533	2.1
101.02451	3.1
109.02954	0.6
113.02487	1.4
121.03046	0.7
123.04510	0.6
123.08235	0.5
125.02476	1.3
137.02501	0.9
139.00381	1.0
149.06123	1.0
151.99530	0.6
161.04636	1.0
253.10287	0.6
331.19156	0.8
431.10086	1.1
433.26926	0.7
466.27942	0.6
468.24551	0.6
493.20380	0.8
493.26508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80268	1.5
51.85161	1.7
54.45609	1.7
55.01870	2.0
56.74886	1.7
57.03444	5.1
57.09922	2.1
58.00608	3.6
59.01384	100.0
60.56955	1.7
61.98831	25.9
68.26873	1.7
69.35976	16.9
71.01389	79.6
72.99305	3.2
73.02951	15.4
75.00919	1.7
81.03489	2.0
83.01397	7.0
85.02961	22.1
86.71819	1.6
87.00884	5.0
89.02454	92.9
93.40620	1.8
95.01416	2.5
99.00902	3.7
101.02453	57.4
111.00880	4.1
113.02450	23.5
119.03532	13.8
124.15272	2.4
125.02492	9.4
131.03514	26.1
137.02502	2.5
143.03532	5.4
149.04570	49.0
161.04587	15.4
165.01863	4.3
174.30832	1.8
179.05615	12.6
191.05620	8.9
223.17010	1.9
233.06763	2.5
235.79893	1.7
284.03210	2.3
301.16565	22.0
331.24875	3.4
361.12875	5.9
431.09833	3.3
433.20767	16.7
434.21017	3.2
493.17200	7.8
493.30673	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	493.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03446	2.7
59.01097	1.3
59.01387	25.0
61.98835	100.0
63.25034	0.8
63.96508	0.9
65.71167	0.8
69.03447	1.9
69.76956	2.2
69.77388	3.4
71.00990	1.7
71.01385	22.1
72.01688	1.0
72.99326	1.3
73.02943	8.1
75.00870	1.9
76.98897	0.9
81.98148	0.9
83.01410	4.4
85.02958	11.6
87.00883	2.1
88.98777	0.8
89.02452	7.9
95.01395	1.3
96.96081	1.0
97.02965	1.6
98.19922	1.9
99.00891	3.1
101.02452	18.7
101.82934	1.0
106.06635	1.2
106.88994	0.8
108.02168	1.1
109.02953	2.3
112.16483	0.8
113.02450	8.7
119.03499	2.5
121.02966	1.4
123.00900	2.0
123.04570	1.7
124.01659	3.5
125.02456	6.3
131.03485	1.1
135.04506	1.1
137.02454	2.1
143.03461	1.2
144.99840	0.8
149.99608	4.6
150.05670	1.2
151.03975	1.2
159.02971	1.4
161.04570	9.1
165.09108	0.8
168.00650	8.3
169.01410	1.4
177.01884	1.1
179.03522	1.8
179.05687	1.2
183.05721	1.0
227.03502	3.8
235.91212	0.9
253.09210	0.8
255.02937	6.7
284.03241	7.6
285.04144	6.0
301.16583	31.4
302.16928	3.1
309.55804	0.9
311.05612	0.9
313.05688	2.5
331.24811	3.3
347.20734	2.0
361.16895	1.0
361.22275	2.4
372.38684	0.8
373.26718	1.0
393.30469	1.2
431.04352	1.3
431.09842	16.1
433.20459	23.3
434.21265	2.8
493.09631	11.5
493.23849	2.4
493.30521	13.7
494.10620	0.8
494.30301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2292
Annotation	Rhodioloside C
Peak:m/z	Relative Intensity
55.01884	5.6
57.03445	4.4
58.00603	1.7
59.01382	52.0
61.98824	3.9
68.99820	1.1
69.03464	1.6
69.50163	7.0
71.01386	67.1
72.01724	1.3
72.99310	3.5
73.02949	23.0
73.71047	0.8
75.00888	1.0
75.56543	0.9
78.51370	0.8
81.03480	1.1
83.01385	14.9
85.02433	1.7
85.02951	33.3
86.03282	1.5
87.00867	2.7
89.02441	28.4
95.01350	4.8
97.02949	2.9
99.00880	8.3
101.02446	78.8
102.02721	1.0
113.02452	29.5
119.03506	10.5
121.61144	0.8
125.02447	3.0
131.03510	2.8
143.03481	7.3
159.02992	5.9
161.04559	40.5
179.05600	10.5
221.06717	2.5
331.17599	57.9
332.17902	5.2
362.20062	0.8
375.16544	1.1
493.22913	100.0
494.23203	15.3
496.40912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78893	0.4
55.01885	0.4
56.33380	0.4
57.03447	0.7
59.01384	11.4
61.98814	0.6
69.57784	2.2
69.58185	0.7
71.01389	9.4
72.99327	0.6
73.02945	2.5
83.01401	1.0
85.02952	2.9
87.00890	0.5
89.02445	6.0
93.03474	1.0
97.98828	0.4
98.19897	0.7
101.02477	1.3
108.02184	0.5
109.02957	5.2
111.04524	0.4
113.02477	1.0
121.02965	12.5
121.03844	0.6
122.03755	12.5
123.04588	1.8
124.01667	1.0
129.03499	0.7
131.03500	0.4
134.03726	1.1
135.04518	2.0
136.01648	0.5
136.05319	1.3
137.02475	2.1
145.02927	0.4
146.03755	1.0
147.04532	8.2
148.05267	0.7
149.06097	1.4
154.02733	1.2
159.04498	0.6
160.05310	0.8
161.06070	4.8
162.06847	2.6
163.04080	0.7
164.04739	0.4
165.05580	23.0
166.05920	1.4
168.04292	0.7
173.06064	1.0
174.06883	0.8
175.07674	1.5
176.08421	1.1
177.05557	0.4
179.07144	6.6
189.09247	0.6
190.06296	0.6
191.07190	2.2
192.07802	0.4
209.08200	0.7
223.09668	1.0
285.11328	0.4
297.11371	0.6
298.12140	3.0
311.12714	0.5
313.11041	0.7
313.14471	5.4
315.12515	2.2
316.13202	0.7
327.12210	0.5
328.13156	2.8
329.13910	0.8
331.15295	0.8
343.15521	8.8
344.15823	0.7
346.14200	8.8
347.14975	0.7
361.16583	100.0
362.16949	9.6
493.20819	60.9
494.21158	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	493.2292
Annotation	Rhodioloside C
Peak:m/z	Relative Intensity
55.01888	7.3
57.03452	5.1
58.00589	1.9
59.01382	48.1
61.98836	29.5
65.92174	0.8
66.08073	1.0
69.03451	1.6
70.96494	0.8
71.01387	86.7
71.62667	1.1
71.67434	0.8
72.01723	1.0
72.99310	3.4
73.02955	24.8
75.00876	2.0
83.01390	12.9
85.02953	40.1
87.00874	4.2
88.98794	1.5
89.02451	22.6
95.01401	6.4
97.02944	3.0
99.00886	10.2
99.04524	1.3
101.02450	74.4
102.02794	1.7
111.00921	1.3
111.32360	0.9
113.02454	38.9
115.04051	1.5
119.03502	9.4
125.02486	4.9
129.01955	1.7
131.03528	2.4
138.01971	3.5
143.03529	7.4
149.04546	1.6
159.03053	6.0
161.04568	51.4
163.06125	1.1
179.05606	7.5
189.06544	0.9
205.03470	1.1
254.08440	0.9
331.17621	41.4
332.17871	4.2
402.17938	1.0
493.22943	100.0
494.23306	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	493.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
60.99310	12.3
61.98835	10.9
69.67625	1.9
69.68037	2.2
71.01380	1.9
75.00873	0.8
85.02987	1.2
87.00891	1.2
88.00384	0.9
88.98810	100.0
89.02444	8.8
89.84872	0.7
89.99149	0.7
101.02470	2.1
113.02412	0.7
138.01976	0.8
138.05602	2.0
148.84006	0.7
433.24344	0.9
483.48438	0.8
493.23193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01385	7.2
60.99310	14.4
61.98833	17.9
69.56643	2.7
69.57046	1.3
71.01395	3.7
73.02978	0.5
75.00906	0.7
78.62211	0.5
81.56606	0.6
83.01382	0.6
85.02945	1.4
87.00862	1.3
88.98808	100.0
89.02446	8.4
89.99135	0.8
95.01415	0.7
98.19907	1.1
99.04548	1.0
101.02421	2.8
103.78753	0.6
113.02477	1.4
119.03508	1.2
123.04518	0.8
125.02415	0.6
154.99644	0.6
161.04590	0.8
207.00856	0.6
263.07129	0.6
271.18921	0.6
403.19641	0.7
417.61823	0.6
433.24429	1.3
493.16763	4.1
493.23605	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	493.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38300	0.6
51.88752	0.7
55.01887	6.3
57.03452	11.4
58.00598	2.5
58.63092	0.6
59.01386	46.7
61.98837	30.4
69.03458	3.7
69.34728	2.2
69.35153	3.6
69.66909	0.6
71.01389	100.0
71.47429	0.7
72.01740	1.9
72.99323	3.7
73.02953	36.3
74.03299	1.1
75.00901	3.5
77.18839	0.6
80.50489	0.6
81.03467	2.0
83.01396	13.7
85.02959	44.6
86.00101	0.8
87.00882	5.1
89.02457	25.2
90.02779	0.8
93.03471	3.2
95.01395	6.3
97.02970	6.7
99.00890	20.4
99.01515	1.3
99.04527	5.6
101.02453	69.6
102.02790	1.3
108.02200	1.1
109.02983	1.3
111.00878	2.4
113.02460	35.2
114.02765	1.1
115.04002	4.6
119.03506	2.2
125.02457	11.9
127.04024	0.7
129.01973	1.8
131.03519	4.9
137.02492	0.8
143.03528	5.2
149.04590	3.6
159.03001	8.8
161.04575	66.0
162.04886	1.6
179.05618	1.1
191.05667	2.5
205.03546	2.8
233.06679	11.1
284.03146	1.3
285.04123	0.9
293.08698	5.0
313.23917	1.8
331.24899	2.4
349.22150	1.9
361.12939	49.4
361.22321	2.1
362.13287	5.6
405.12018	1.0
431.09882	2.1
493.17194	52.7
493.30426	19.9
494.17511	6.6
494.30768	1.2
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	Hibiscetin 8-methyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
52.43690	0.8
61.98830	3.9
64.59111	0.8
69.03455	3.7
70.34621	3.3
74.03143	0.7
79.01913	0.8
81.03473	1.7
83.01391	2.8
85.02959	1.3
95.01385	2.0
97.02944	4.0
100.60579	0.6
107.01418	1.8
107.05027	2.8
108.02142	0.8
109.02924	2.3
121.02964	1.5
123.00893	12.9
124.01668	28.1
125.02456	57.1
126.02785	1.4
128.04051	0.7
135.04500	1.0
136.01642	1.2
137.02449	4.4
138.03111	0.9
139.04016	1.1
146.67348	0.7
149.80280	0.8
149.99585	47.2
151.00363	3.6
167.03418	1.1
168.00645	71.1
169.01346	6.5
179.03502	6.0
182.42079	0.8
243.31494	0.8
313.05664	8.0
431.09705	0.9
475.08591	3.7
493.09879	100.0
494.10266	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.5
57.03442	5.2
58.00589	3.2
59.01381	81.0
69.03448	5.1
71.01387	100.0
71.57758	2.9
72.99301	6.8
73.02946	20.5
81.03465	3.2
83.01392	15.8
85.02953	50.3
87.00884	17.7
89.02447	52.3
89.58211	1.7
90.95251	1.6
93.03484	2.2
95.01374	9.8
97.02954	9.8
99.00892	21.6
101.02448	73.7
109.02929	4.2
110.00099	5.1
111.00900	17.3
113.02458	53.0
119.03501	24.4
121.55811	1.6
125.02456	32.2
131.03514	12.3
137.02444	2.9
137.99573	3.3
139.00397	29.7
141.01961	4.9
143.03505	23.9
144.03880	2.2
145.05055	4.1
152.01135	6.9
152.79054	2.0
153.01945	66.9
154.02745	21.5
155.03410	4.5
159.02974	5.5
161.03207	3.1
161.04567	55.1
167.03455	10.4
168.04309	19.0
169.05093	15.2
179.05649	9.7
185.04474	3.1
203.05566	5.2
221.06660	40.0
245.06644	40.5
250.78922	1.9
262.65286	2.0
263.07755	30.5
264.08044	3.5
287.07776	2.3
305.08786	2.6
323.09821	29.7
331.10339	5.5
389.89365	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	492.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02256	0.6
57.03448	0.7
58.00602	0.6
59.01385	16.0
60.01735	0.7
61.98835	100.0
71.01392	10.8
71.63393	1.2
72.99324	1.3
73.02935	2.7
75.00924	0.6
78.91080	0.6
83.01418	0.9
83.42348	0.6
84.73054	0.5
85.02965	4.4
87.00898	1.2
89.02436	8.3
93.03484	0.8
99.00916	0.9
100.35005	0.6
101.02451	7.1
108.02236	0.7
109.02964	1.3
113.02444	3.2
116.89153	0.6
119.03529	0.9
120.46490	0.5
120.99679	1.7
121.02961	3.7
122.03764	3.6
122.04514	0.5
123.04613	0.6
125.02460	1.1
131.03529	1.3
137.02490	1.3
139.11317	2.0
147.04582	1.9
148.05403	0.6
149.02431	0.5
149.04779	1.2
149.06076	6.8
156.83481	0.5
161.04602	1.9
161.06091	1.2
165.05580	6.1
175.07915	0.8
179.05692	1.3
179.07193	1.6
180.96423	0.6
181.12384	0.7
183.10263	3.7
191.07191	0.9
223.76416	0.7
263.05237	0.6
313.14651	0.9
328.13251	1.9
329.23480	0.9
343.15424	5.3
346.14441	1.6
347.24597	3.0
361.16568	16.4
395.15915	0.6
433.25003	1.0
457.17258	0.8
492.23669	1.3
492.31931	0.8
493.21005	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	491.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.77812	0.1
57.03453	0.1
58.00597	0.3
59.01385	4.9
61.98817	0.1
64.60842	0.1
69.03454	0.1
69.27958	0.4
69.28399	0.6
71.01388	4.1
72.99332	0.2
73.02952	1.1
75.91586	0.1
77.69701	0.1
78.95888	0.1
83.01394	0.5
85.02959	1.0
87.00886	0.5
89.02451	3.0
91.04013	0.2
95.01394	0.4
97.02964	0.2
98.19915	0.2
99.00935	0.2
101.02447	4.0
113.02457	1.9
119.03505	1.1
125.02430	0.2
131.03496	0.2
133.05090	0.4
138.34671	0.1
143.03531	0.4
149.04588	0.1
152.99597	0.1
157.05058	0.2
161.04572	1.5
179.05586	0.5
235.08235	1.4
237.22272	0.2
253.09303	13.0
254.09660	0.7
255.23302	100.0
256.23639	8.2
269.24933	0.1
271.19171	0.3
491.37540	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	492.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.0
59.01382	12.6
60.01702	0.5
61.98829	100.0
69.31605	2.3
69.32029	1.7
71.01374	5.6
72.69797	0.5
72.99297	0.7
73.02946	2.3
73.03463	0.5
74.96621	0.4
83.01369	1.2
85.02952	2.5
86.92767	0.6
87.00890	1.0
88.98822	0.7
89.02447	4.0
95.01373	0.7
95.28509	0.4
99.00932	0.7
99.04517	5.3
101.02444	6.6
103.04047	0.8
104.05105	0.5
110.09003	0.5
113.02428	3.2
119.03488	2.3
120.99682	0.6
122.95919	0.5
125.02457	3.9
131.03522	0.7
137.02483	0.6
143.03477	0.7
145.05031	0.5
148.04024	0.8
151.03987	0.6
153.09294	0.7
161.04584	1.7
163.06168	1.2
166.05115	1.8
179.05582	1.0
183.10268	0.7
187.72499	0.4
210.04118	0.7
300.13351	0.6
331.17609	0.9
347.17245	0.8
349.18631	2.7
391.19809	0.8
419.17380	1.2
432.23471	1.0
433.24286	1.2
492.16104	1.9
493.23395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49787	0.8
52.53768	0.8
53.82698	1.0
55.90221	0.9
57.03462	1.4
58.00586	2.0
59.01095	1.6
59.01380	31.0
61.98823	2.0
71.01382	25.5
72.99294	1.8
73.02925	2.7
83.01376	1.5
85.02949	6.3
87.00873	1.1
89.02442	18.4
101.02441	3.0
108.02187	1.9
109.02950	13.5
113.02445	2.2
114.15314	1.0
123.04514	2.9
131.03520	1.1
149.04529	1.1
159.04521	5.5
171.02278	0.9
171.04471	1.3
172.05327	4.3
173.06078	7.8
184.66682	0.8
187.07619	4.2
189.05533	4.4
190.06287	1.5
191.07172	2.1
192.99915	0.9
203.07127	2.6
205.08675	1.1
229.86948	1.0
240.04251	1.7
241.05052	11.5
253.05194	4.4
253.07922	0.8
255.06628	6.1
262.05884	0.8
267.06595	2.1
268.07361	4.5
269.08279	1.3
279.06805	1.7
280.07367	2.8
281.08066	5.6
282.08765	1.1
283.09726	3.0
291.02850	0.8
295.09738	6.9
296.10455	3.9
296.93634	0.8
298.08414	1.4
299.09290	6.2
300.09509	1.0
311.09308	8.6
311.12744	1.9
313.10825	10.6
326.11560	9.1
327.12183	1.8
329.10339	3.7
341.13907	14.8
342.14282	1.7
343.11862	2.0
344.12592	34.5
345.13004	3.6
359.14993	100.0
360.15393	12.9
491.19208	90.3
492.19604	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	491.2863
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
51.61314	0.4
54.35602	0.4
55.01873	0.8
57.03442	1.5
57.11171	0.5
59.01092	0.8
59.01381	13.7
61.98825	3.3
69.03439	0.5
69.29036	1.6
69.29460	2.8
71.01382	8.1
72.99306	0.8
73.02950	1.9
80.14254	0.4
83.01368	1.5
85.02953	3.8
87.00857	0.8
89.02448	3.4
95.01383	1.1
97.02990	0.5
97.06617	0.5
98.20576	0.8
99.00891	0.8
101.02434	5.8
104.53712	0.4
107.04969	0.4
108.02174	0.7
113.02453	2.1
119.03488	1.2
123.04539	0.5
125.09727	0.9
143.72853	0.4
155.10785	0.4
157.92261	0.4
164.04689	0.6
171.10265	4.5
185.06116	0.8
185.11894	0.6
220.55244	0.5
239.11575	0.4
257.16562	0.4
311.22299	3.2
312.22729	0.6
315.05725	0.4
329.03027	0.6
329.23325	12.3
330.23819	1.2
473.28012	1.9
491.22885	5.9
491.28674	100.0
492.22995	0.6
492.28992	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	491.2664
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01383	3.0
61.98830	1.2
65.82388	0.3
66.03486	1.1
69.91232	0.3
70.40532	0.7
71.02515	3.9
82.01734	0.6
83.05031	0.4
98.01212	0.7
99.02013	0.6
109.07664	0.4
110.03609	1.3
111.02020	0.6
113.07199	0.5
115.08777	11.3
116.05081	1.9
116.09134	0.4
118.06637	4.2
125.07204	3.8
126.05617	1.3
126.81555	0.3
131.05043	0.4
137.07126	0.3
141.06714	5.1
143.08255	0.4
146.06122	9.0
147.06351	0.6
152.08310	1.0
153.06696	1.1
153.09033	0.5
157.05310	0.4
163.08772	0.9
168.07768	1.2
169.13503	0.7
169.89629	0.3
170.09344	3.1
173.07166	1.1
174.05571	1.0
179.11900	4.3
182.31726	0.4
184.11288	0.6
189.06694	0.4
194.12894	0.9
196.14557	0.8
197.12939	1.0
200.10767	1.7
202.12314	0.7
214.15630	4.5
216.07706	0.6
217.13393	1.3
225.47906	0.3
227.11916	3.0
228.10280	2.8
228.12297	0.6
229.10599	0.3
233.74522	0.3
240.07730	1.4
240.13490	1.1
244.14610	0.8
245.12933	3.3
248.10837	0.6
262.15573	2.8
269.16077	1.0
276.10196	0.6
283.13251	0.4
299.17639	0.9
310.15680	0.7
316.20242	0.5
326.18692	6.3
326.22595	0.4
327.18961	0.7
344.19745	2.5
400.20950	0.5
431.17319	0.4
473.25711	0.7
491.26624	100.0
492.26981	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06685	0.5
54.11964	0.5
55.01874	0.9
57.03460	2.4
58.00605	2.1
59.01382	33.6
61.98831	16.6
69.69865	1.2
69.70274	2.9
71.01386	25.2
72.99316	1.6
73.02963	2.5
75.03828	0.5
83.01401	2.4
85.02954	5.7
86.00095	0.7
87.00892	1.0
89.02448	18.1
89.02988	1.0
89.85940	0.5
91.01870	0.9
99.00909	0.7
99.93367	0.5
101.02453	3.7
106.25311	0.5
108.02186	1.2
109.02961	13.0
109.03674	1.1
110.03355	0.6
111.44501	0.5
113.02454	2.3
119.03561	1.2
123.04528	2.5
131.03514	1.4
135.98378	1.2
144.05835	0.9
149.04655	1.2
149.36266	0.5
150.52219	0.5
159.04492	6.2
171.04535	1.5
172.05324	4.5
173.06084	6.9
187.07660	4.3
189.05609	3.7
190.06262	0.7
191.07130	2.7
202.06363	0.8
203.07150	1.6
213.05525	0.9
225.05568	0.8
240.04347	1.7
241.05067	8.3
242.05823	0.8
246.07867	0.6
248.86421	0.6
253.05078	2.6
255.06682	4.8
256.07159	0.7
263.07080	1.1
266.05817	1.1
267.06653	2.2
268.07394	2.1
269.08170	1.4
279.06720	1.0
280.07516	1.7
281.08081	3.8
283.09775	2.5
295.09760	8.0
296.10526	2.9
298.08432	1.2
299.09326	4.0
309.11279	1.0
311.09277	7.0
311.12964	1.6
312.09988	0.8
313.10809	11.7
314.11353	1.3
325.10718	1.1
326.11499	8.1
327.12250	2.1
329.10220	3.8
341.13940	14.3
342.14233	1.6
343.11847	2.5
344.12646	31.4
345.13098	3.7
359.14999	100.0
360.15335	10.1
431.22955	1.5
461.18298	1.0
466.78464	0.7
491.19217	80.5
492.19641	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	491.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03427	0.8
58.00583	0.6
58.03775	0.2
59.01379	14.1
61.98830	3.4
67.20100	0.2
69.53417	2.0
71.01382	8.9
72.99317	1.1
73.02952	2.0
75.00858	0.3
83.01383	2.0
83.83961	0.2
85.02957	3.4
86.00091	0.6
87.00874	1.4
89.02443	4.0
93.03448	0.3
95.01374	0.9
98.20756	0.2
99.00871	1.1
101.02444	6.7
102.02821	0.2
109.02943	0.8
111.00861	0.3
113.02444	2.9
119.03487	1.0
121.02957	5.7
122.03719	0.4
125.02411	0.3
135.04503	0.4
147.04507	0.7
149.02379	0.3
150.03227	0.3
159.04515	2.4
161.02357	0.3
161.04520	0.5
173.46983	0.3
179.05669	0.3
195.06580	0.4
209.06070	0.3
211.07574	0.3
212.04733	0.3
225.05492	0.3
227.06976	0.4
231.15382	0.2
233.08389	0.3
237.05568	0.3
237.09282	0.4
238.06297	0.3
240.04305	1.5
251.09250	0.8
253.04848	0.4
253.08723	0.9
254.05804	0.9
255.06659	2.0
255.10416	0.2
256.07175	0.4
263.07159	0.9
265.08694	0.3
268.07458	3.2
269.08188	6.2
270.08942	2.4
271.09802	0.9
281.08182	12.0
282.08752	1.7
283.09769	5.3
284.10196	0.6
285.04486	0.3
296.10587	1.5
297.11240	1.3
299.09244	5.4
300.09808	1.7
301.10617	0.4
302.07928	0.8
314.11588	8.3
314.15201	0.6
315.12283	5.5
316.12863	0.5
328.09546	0.4
329.11078	0.4
329.13947	10.2
330.14224	1.3
343.11761	3.0
344.12375	0.5
356.12537	0.4
357.13370	0.6
392.32275	0.3
431.23010	0.4
461.14496	2.4
462.15048	0.3
476.16858	8.5
477.17172	1.0
491.19217	100.0
492.19556	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	491.1769
Annotation	Sinuatol
Peak:m/z	Relative Intensity
55.01865	2.0
57.03445	4.3
58.00583	5.3
59.01382	100.0
61.98826	20.4
63.96223	3.8
69.03438	2.0
69.55778	9.7
69.56201	4.1
71.01386	85.2
72.99306	8.0
73.02946	22.0
74.99099	6.8
83.01402	9.0
84.06521	2.0
85.02955	22.3
87.00889	14.7
88.98811	12.3
89.02451	82.4
89.79749	2.1
95.01418	2.4
97.02991	3.9
99.00884	5.1
101.02444	73.2
103.04054	2.1
111.00912	4.2
113.02457	34.9
117.97320	4.8
119.03500	33.3
121.02947	2.8
121.98898	1.8
123.04528	4.9
125.02434	7.7
131.03539	10.7
134.03714	11.7
135.98354	15.1
137.02449	3.2
143.03502	12.8
145.02972	1.8
149.04552	5.3
149.06079	12.0
150.03233	12.4
151.03964	2.9
152.04787	4.1
153.05553	2.3
159.03072	2.6
161.04568	20.9
162.03162	2.5
165.05600	17.7
167.03485	3.1
167.07077	2.4
175.04005	2.7
177.05618	5.1
179.05646	40.1
179.07091	3.2
180.04324	4.2
192.99629	2.6
195.06615	19.3
208.02118	3.0
209.02826	4.3
221.06606	16.0
223.04305	3.0
241.05446	7.7
243.02881	2.1
269.17630	3.3
285.09518	3.0
312.08673	3.0
313.09189	5.7
327.11237	3.2
328.11420	6.2
329.12408	16.2
354.02524	1.9
431.22971	11.0
472.43268	1.8
491.17767	99.3
492.18417	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	491.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.3
55.40107	2.9
57.03444	8.9
58.00590	6.0
59.01382	100.0
60.99311	4.6
61.98827	18.8
69.50701	23.0
71.01385	94.9
72.99324	7.0
73.02956	32.2
83.01395	11.8
85.02953	31.5
87.00880	14.4
88.98817	36.6
89.02450	56.2
95.01409	7.6
95.12313	2.9
97.02948	6.7
99.00891	12.6
99.04489	3.7
99.47768	2.8
101.01771	4.5
101.02444	81.6
109.02905	3.6
113.02454	41.4
117.97302	7.2
119.03510	28.0
120.01276	11.2
121.02962	6.2
123.04549	11.1
124.04079	4.6
125.02439	13.7
134.03740	11.6
137.87621	3.3
137.92964	2.9
143.03522	8.2
149.06088	11.4
151.03972	3.6
159.03014	4.5
161.04544	34.2
162.96391	2.8
167.03513	4.5
179.05585	15.2
203.51740	2.7
209.04573	3.6
263.07666	3.3
269.10260	24.5
274.47717	3.3
289.07339	5.0
312.22903	2.8
329.12405	28.4
431.15591	86.7
431.22559	10.3
432.15936	8.3
491.17661	32.4
492.17911	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	491.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03431	3.0
58.00574	3.9
59.01381	21.2
61.98836	9.2
64.97005	1.2
69.41488	5.6
69.41911	4.0
69.77884	0.9
71.01048	1.0
71.01385	13.8
73.02955	6.2
75.00875	1.1
83.01376	1.7
85.02960	5.4
87.00886	9.8
87.55665	1.0
89.02448	7.6
95.01362	1.4
97.02905	1.1
98.19810	1.8
99.00877	5.1
99.04505	2.8
101.02445	11.9
111.00822	3.1
113.02417	6.3
119.03449	1.4
124.07663	4.0
125.02414	4.3
131.03511	1.5
132.04446	1.6
137.02394	2.1
146.06108	8.4
147.06757	1.7
148.07619	3.2
158.06076	2.1
159.02969	1.6
159.06740	1.2
160.07693	1.1
161.04515	4.9
165.05595	1.5
167.05861	1.8
174.05533	5.6
175.06305	2.8
178.05028	1.3
179.05710	4.0
188.07040	3.4
189.07809	1.4
191.05745	2.2
203.05821	3.0
204.06639	6.1
207.05365	6.3
221.06822	3.7
228.13768	1.7
235.04695	1.4
237.06444	1.3
241.09724	2.1
243.11284	1.4
245.06754	1.3
255.11411	1.4
257.12772	1.6
269.12958	2.4
271.14514	6.8
283.14371	4.3
297.12347	2.1
299.11008	6.8
299.14291	6.2
309.12256	1.2
313.15363	3.2
315.18030	1.2
327.13495	3.3
329.15244	7.0
343.13043	9.8
357.14456	1.6
371.12390	12.8
372.12714	1.8
373.14017	10.9
374.14374	1.2
389.13644	2.1
429.16299	1.4
431.15198	4.1
431.22574	4.4
491.16415	100.0
492.10754	1.2
492.17026	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
58.00609	0.8
59.01384	100.0
60.01735	0.8
61.98835	19.6
61.99152	1.4
70.39687	2.8
71.01386	22.8
72.99327	2.0
73.02972	2.0
83.01386	1.7
85.02956	4.8
87.00896	2.4
89.02451	27.5
99.00906	1.4
99.04548	0.6
99.20889	0.7
101.02448	12.6
102.02760	0.8
113.02441	8.2
119.03522	10.4
121.03074	0.7
121.05061	0.9
125.02453	1.9
131.03490	1.7
135.04559	0.9
135.98380	1.0
137.02481	1.1
143.03517	3.6
144.45918	0.8
145.02989	1.1
149.04549	1.7
160.01732	0.9
161.02455	1.6
161.04578	3.9
164.04848	2.5
165.05135	1.7
166.05318	1.3
175.03905	0.9
179.05661	16.2
179.07170	2.5
179.10875	2.2
180.07516	2.4
181.05132	0.8
256.14807	0.7
261.05170	0.7
283.10425	1.1
285.04001	0.7
300.02997	1.0
309.20798	1.1
327.21625	0.8
343.17691	1.7
369.15750	1.0
429.21268	1.2
489.14090	1.4
489.20602	2.1
489.27957	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	490.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93102	0.3
59.01385	3.0
61.98832	100.0
67.51743	0.3
69.45604	0.7
69.46009	2.4
71.01380	2.8
72.01755	0.3
73.02943	0.3
77.49664	0.3
78.93945	0.3
85.02975	0.6
89.02461	0.8
93.36778	0.3
95.08416	0.3
96.85656	0.3
99.00858	0.3
101.02451	1.9
107.44689	0.3
113.02469	0.9
161.02368	0.3
161.04611	0.7
165.34485	0.3
210.35287	0.3
277.23471	0.3
297.13589	0.5
298.13910	1.0
396.45029	0.3
430.18002	0.7
431.23041	0.8
491.13278	0.3
491.19998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03448	5.2
58.00601	1.5
59.01382	30.2
61.98834	16.5
63.09756	0.6
69.56831	0.8
69.57376	4.8
71.01382	17.6
72.99313	2.1
73.02962	6.2
74.02488	0.9
75.00876	4.0
80.96513	2.2
83.01417	4.1
85.02950	7.6
86.00084	0.9
87.00888	2.8
89.02469	9.5
93.03444	1.2
95.01398	2.4
95.05025	0.7
98.19801	0.7
99.00882	2.2
99.04515	2.2
101.02444	18.6
102.01992	1.7
103.00385	2.6
109.02984	1.2
111.00877	2.0
113.02449	7.1
119.03491	3.2
120.01260	100.0
120.99656	1.4
121.01589	1.1
121.02966	3.0
123.04515	2.7
125.02465	4.3
126.02826	0.7
127.74052	0.9
131.03481	1.2
132.02066	1.0
133.02971	4.9
134.03702	1.3
137.02467	2.5
143.03520	1.4
149.02454	21.3
149.04489	1.2
149.06107	2.0
150.03244	7.3
150.05663	0.8
151.03981	0.8
152.04817	2.2
159.02979	0.7
161.02519	0.9
161.04550	4.2
164.04816	3.6
165.01978	0.8
167.03447	3.2
167.07152	1.2
168.00594	1.0
179.05612	1.9
181.08791	1.2
182.02274	1.3
182.04596	2.6
183.03014	1.0
228.53786	0.7
237.07675	1.3
243.02921	0.9
269.17447	1.2
278.34247	0.7
283.09921	1.0
285.11658	0.8
296.77063	0.6
314.11508	6.0
315.08795	0.8
315.12573	0.9
328.11713	1.4
329.13895	12.8
357.15677	1.2
400.13913	0.8
430.21326	1.1
431.22665	6.0
448.16937	0.8
490.12881	1.2
491.19351	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42332	4.2
56.15578	4.2
57.03463	5.6
59.01385	99.6
61.98837	63.4
71.01385	43.0
71.63630	6.4
72.99306	8.5
73.02947	12.7
83.01379	5.1
85.02957	14.4
85.74385	4.0
87.66314	4.1
88.45594	4.2
89.02436	27.3
91.87417	4.3
101.02433	28.0
113.02447	18.1
119.03492	10.9
125.02459	8.4
139.03987	5.7
161.04521	6.3
167.03473	4.6
171.10229	7.5
175.04015	4.8
181.12306	9.9
188.08372	4.4
211.13402	18.5
221.11829	5.3
221.65077	5.0
227.07152	16.5
229.14482	4.6
314.03369	5.2
327.21692	18.3
349.84442	4.9
392.56274	5.6
452.83267	5.2
453.24634	14.2
489.21878	58.0
489.27075	100.0
490.27692	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
58.00609	0.8
59.01384	100.0
60.01735	0.8
61.98835	19.6
61.99152	1.4
70.39687	2.8
71.01386	22.8
72.99327	2.0
73.02972	2.0
83.01386	1.7
85.02956	4.8
87.00896	2.4
89.02451	27.5
99.00906	1.4
99.04548	0.6
99.20889	0.7
101.02448	12.6
102.02760	0.8
113.02441	8.2
119.03522	10.4
121.03074	0.7
121.05061	0.9
125.02453	1.9
131.03490	1.7
135.04559	0.9
135.98380	1.0
137.02481	1.1
143.03517	3.6
144.45918	0.8
145.02989	1.1
149.04549	1.7
160.01732	0.9
161.02455	1.6
161.04578	3.9
164.04848	2.5
165.05135	1.7
166.05318	1.3
175.03905	0.9
179.05661	16.2
179.07170	2.5
179.10875	2.2
180.07516	2.4
181.05132	0.8
256.14807	0.7
261.05170	0.7
283.10425	1.1
285.04001	0.7
300.02997	1.0
309.20798	1.1
327.21625	0.8
343.17691	1.7
369.15750	1.0
429.21268	1.2
489.14090	1.4
489.20602	2.1
489.27957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69139	1.1
55.01887	3.1
57.03458	3.3
58.00596	4.2
59.01385	90.5
61.98835	100.0
69.03452	2.5
69.34975	5.1
69.35397	5.2
71.01386	76.3
72.01752	1.2
72.99310	5.9
73.02953	22.6
75.00888	4.9
83.01405	5.2
85.02950	16.2
87.00881	9.5
89.02450	80.5
90.02805	2.2
93.03477	1.2
95.01418	3.4
97.02972	5.0
99.00894	32.4
99.04544	1.8
101.02448	54.8
102.02802	2.6
103.00391	5.0
103.04027	1.7
111.00913	1.4
113.02463	22.2
115.04031	3.9
118.18931	1.1
119.03507	13.0
120.01257	2.0
121.02993	3.0
125.02460	11.5
131.03499	13.2
139.47092	1.1
143.03502	4.7
149.04558	40.8
149.09779	1.8
149.99597	1.7
151.04001	1.3
153.65137	1.3
161.04575	19.6
163.03993	1.5
168.00665	2.5
170.11713	1.0
175.06137	1.3
177.09213	13.1
179.05649	7.0
180.04239	1.4
180.78726	1.2
181.05090	1.5
181.08748	1.8
191.05652	9.8
193.52209	1.2
195.10335	3.8
205.05170	1.3
211.07776	1.7
221.06554	2.8
231.13763	1.2
233.06673	6.2
237.05826	1.3
239.11166	2.3
249.15022	3.4
251.07753	5.1
257.43704	1.4
267.16077	4.6
293.08847	6.4
294.94739	1.2
357.15475	20.8
358.16107	2.8
429.21179	6.6
489.19925	99.3
490.20151	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	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64191	0.9
55.01878	1.2
56.36013	0.9
57.03458	2.4
57.39183	1.0
58.00584	1.0
59.01384	100.0
61.98515	2.0
61.98833	38.0
65.42664	1.0
67.24380	1.0
70.33291	1.0
71.01386	25.0
71.63142	1.1
72.01718	1.3
72.99293	2.0
73.02954	8.5
75.00874	1.1
83.01403	2.7
85.02946	11.6
87.00890	2.2
89.02454	7.4
89.16306	1.3
95.01385	1.6
97.02967	1.9
99.00882	3.5
101.02451	21.3
108.96581	1.0
111.00883	0.9
113.02461	8.7
117.03548	1.1
119.03501	3.0
121.02946	1.2
125.02439	1.9
131.03513	1.1
143.03510	1.6
159.02985	2.8
161.04570	13.1
179.05569	1.8
179.10793	3.4
267.15820	1.3
283.10321	3.8
285.04117	2.2
297.13464	24.3
298.13892	1.7
299.05725	1.2
399.20090	8.9
415.79932	1.1
429.17325	18.0
430.17892	2.0
432.71014	1.0
489.19852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.7
59.01375	4.9
60.05676	0.7
61.98834	8.4
66.72707	0.6
69.03454	2.5
69.63291	2.9
69.63695	1.8
71.01376	1.8
71.05045	4.0
71.05376	1.1
73.02925	0.8
79.01915	0.9
83.01362	1.8
85.02950	1.0
87.00905	1.4
89.02412	1.4
95.01400	1.7
97.02951	2.4
98.19860	1.0
99.04501	1.3
101.02440	2.0
107.01384	1.8
115.36313	0.7
119.03488	0.8
123.00892	8.4
124.01656	19.2
125.02446	57.3
126.02783	2.0
133.98378	0.7
137.02443	3.3
149.99583	28.9
151.00308	2.2
160.23474	0.7
167.03394	0.8
168.00644	58.3
169.01396	5.4
204.26250	0.7
313.05667	4.1
331.06699	2.9
345.08350	0.8
365.98349	0.8
387.09308	1.5
471.12125	1.0
488.30670	4.9
489.12482	100.0
489.30270	13.9
490.12766	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	489.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39381	0.7
55.27884	0.7
57.03448	1.4
59.01381	17.4
61.98842	5.6
71.01386	18.2
71.63133	1.3
72.99319	1.9
73.02941	2.1
75.00852	1.3
78.95911	7.4
83.01378	5.3
85.02984	3.8
87.00877	31.3
89.02453	3.2
92.44141	0.8
96.96002	1.2
96.96963	16.0
99.00912	1.8
100.46413	0.8
101.02446	3.2
107.06944	0.7
111.00862	6.8
113.02438	3.4
115.00378	55.9
116.00678	1.0
119.03529	1.0
120.01257	1.1
123.04619	0.9
125.02427	2.6
127.00362	1.2
129.01900	1.3
135.04527	2.1
137.02487	0.9
139.00391	14.1
146.06120	1.0
148.05365	1.2
149.99597	1.1
150.05548	0.8
157.01427	25.2
158.01694	0.7
161.04565	1.2
168.00610	1.7
169.01433	0.7
174.05591	1.4
175.02483	100.0
176.02789	2.7
178.05058	0.9
179.05745	1.5
207.05403	0.8
226.12361	3.3
240.09016	0.9
241.07544	1.4
267.16058	1.0
269.12946	12.3
270.13147	1.1
285.51776	0.9
297.12366	1.1
313.12030	11.5
314.12234	1.2
328.11954	6.5
343.12906	3.1
371.12402	6.1
373.14090	2.2
386.91953	0.8
409.14096	6.8
427.15161	7.7
428.15442	1.9
429.12915	3.1
429.21042	1.0
441.12692	1.1
453.13229	0.9
471.14191	0.9
489.14404	2.8
501.27527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1042
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
50.03657	0.5
51.71481	0.5
51.75531	0.5
57.03452	1.5
57.87310	0.6
59.01383	13.6
61.98829	8.4
64.98394	0.5
65.00319	1.0
69.03456	0.6
71.01391	6.9
71.65019	0.9
72.99314	1.4
73.02958	2.1
74.99077	0.5
79.59747	0.5
83.01401	1.9
85.02965	1.8
85.38501	0.4
87.00870	0.7
89.02444	4.6
93.03409	0.5
97.02951	0.5
99.00883	0.9
99.04538	1.9
101.02455	4.5
107.01378	2.5
108.02187	1.5
109.02957	1.7
113.02444	1.9
116.92873	6.8
119.03506	1.4
121.02993	1.7
123.04533	0.7
124.01614	0.5
125.02444	7.5
135.98372	0.5
136.07684	1.2
136.99214	0.7
137.02448	1.7
137.92941	0.5
139.04010	0.6
139.07634	0.5
143.03491	0.9
148.01692	1.9
149.02516	0.8
149.04611	0.7
151.00378	6.3
151.04007	0.6
152.00810	0.5
153.01909	0.6
160.04028	0.6
161.02480	0.9
161.04587	2.1
163.00336	1.9
163.04146	0.6
164.01157	0.8
165.01830	0.5
167.03497	3.5
175.04027	0.8
177.05515	0.9
178.99864	3.3
187.03845	0.5
192.00583	0.6
199.03929	0.9
201.01880	0.5
205.05057	1.2
211.03975	1.4
211.13393	0.8
215.03375	1.1
216.04292	0.9
226.02774	1.9
227.03427	4.0
229.05011	1.6
243.02959	10.8
244.03586	0.6
254.02243	2.1
255.02989	28.9
256.03360	2.3
267.12680	0.9
267.15796	1.1
271.02475	56.2
272.02936	6.4
283.02335	1.0
284.03436	3.3
285.04059	4.6
297.12457	1.2
299.01984	1.8
300.02765	100.0
301.03412	23.3
302.03915	0.8
303.15994	1.9
309.20657	0.6
336.07001	2.4
429.08603	1.6
429.20944	0.7
435.17868	0.6
447.09552	1.3
453.19321	1.8
454.19656	0.6
457.16760	0.6
471.20175	1.5
489.10388	48.9
489.21652	2.1
489.26898	3.0
490.10587	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	489.1053
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
57.03441	0.7
58.00608	0.3
59.01382	17.0
61.98827	4.2
65.00326	0.6
66.34158	0.3
69.66556	2.2
69.95546	0.3
71.01386	5.8
72.99323	0.8
73.02940	1.0
77.72438	0.3
83.01379	1.0
85.02956	1.8
87.00877	0.6
89.02437	4.6
95.01364	0.5
99.04514	0.6
101.02443	2.8
107.01379	1.4
108.02206	1.2
109.02957	0.7
113.02451	1.9
119.03502	1.3
121.02944	0.9
125.02451	1.1
135.00877	0.9
143.03448	0.3
148.01709	1.4
151.00385	3.4
151.04022	0.3
151.91222	0.3
155.10777	0.3
161.02431	0.4
161.04547	0.9
163.00359	1.2
163.03993	0.9
164.01176	0.6
165.01939	0.4
167.03510	0.5
171.10269	0.5
175.03938	0.4
177.06926	0.3
178.06375	0.5
178.14153	0.3
178.99834	2.8
179.05672	0.4
179.10805	0.4
183.04478	0.4
187.04005	0.5
192.00673	0.6
193.08650	1.1
199.03955	1.1
200.04695	0.3
201.01941	0.6
201.05595	0.4
201.11308	1.3
211.03987	1.0
215.03596	0.8
216.85300	0.5
221.15265	0.3
226.02678	1.4
227.03505	3.9
229.05013	0.7
243.02989	10.7
244.03442	0.9
245.04398	0.4
254.02356	1.5
255.02975	24.3
256.03226	1.8
267.15793	0.3
271.02472	57.5
272.02869	5.6
283.02573	0.6
284.03265	0.7
285.04041	3.1
299.01944	6.6
300.02744	100.0
301.03296	17.3
302.03870	1.0
309.20786	1.5
311.15024	1.1
327.21765	0.9
336.45023	0.4
369.14340	0.3
429.08032	1.8
443.19052	0.7
447.09579	1.4
471.26575	0.4
489.10391	42.5
489.27286	9.1
490.10718	6.2
490.27280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3054
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
50.36708	0.9
56.36008	0.9
59.01374	5.8
61.98834	11.8
69.29005	8.7
71.01383	1.4
76.21058	0.9
96.96971	2.2
98.20628	2.5
125.02415	1.0
131.44638	1.0
157.83865	1.0
180.02322	1.2
200.10553	0.9
235.13560	1.1
266.90305	1.0
371.78152	1.1
451.32611	2.2
487.30560	100.0
488.30817	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	487.3276
Annotation	Gephyronic acid
Peak:m/z	Relative Intensity
57.03452	5.6
58.00576	0.5
59.01375	6.3
59.17155	0.4
61.98821	1.8
64.16222	0.3
69.03445	0.7
71.01377	0.5
72.94713	0.3
73.02927	0.4
81.03461	1.3
83.05025	13.6
97.06584	0.5
100.63741	0.3
109.06593	4.3
111.08162	64.2
112.08491	2.5
116.86084	0.4
123.08176	0.5
125.09715	0.8
127.11288	1.3
129.09206	2.6
155.07141	1.0
155.10750	1.1
157.12312	0.8
171.10303	1.1
172.02647	0.4
173.08185	26.3
174.08548	1.2
177.40515	0.4
295.22800	1.0
311.22485	0.6
313.23837	7.0
314.24359	0.6
329.23184	0.8
331.24884	19.0
332.25208	1.9
423.32727	0.8
469.31921	3.0
487.32861	100.0
488.33206	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62644	1.9
56.75261	1.8
57.03455	10.3
57.82340	1.9
59.01375	3.4
61.98822	2.2
69.03439	3.2
70.09987	7.3
72.02203	1.7
73.02940	5.0
83.05026	100.0
84.05325	2.1
97.06564	4.4
101.02431	8.2
123.08208	4.7
137.09703	4.2
147.08170	2.1
149.09720	14.1
165.12866	3.2
175.11255	3.5
189.12849	2.6
199.78181	2.0
205.15962	10.2
207.17465	2.3
209.15434	5.2
215.14351	5.2
217.15968	11.6
219.13779	2.2
221.15430	4.7
233.15469	43.5
234.15887	3.2
235.17021	42.2
253.18080	88.9
254.18376	6.3
271.19183	15.4
297.17078	35.1
298.17361	2.1
487.34271	36.4
488.34558	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	487.364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01379	0.5
61.80440	0.3
70.20425	0.8
83.05058	0.4
125.09727	1.4
127.11292	8.1
143.10762	1.0
155.10776	4.2
157.12317	3.2
168.73654	0.3
169.02184	0.3
171.10289	2.9
173.11827	48.0
174.12164	3.1
178.45834	0.3
187.13408	1.0
201.11334	0.9
295.22775	1.2
311.22330	0.8
313.23834	8.1
314.24362	0.7
327.21646	0.4
329.23407	4.0
331.24905	47.1
332.25229	4.5
430.31647	0.4
487.36411	100.0
488.36780	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	488.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13055	0.3
59.01387	3.7
61.98838	100.0
63.09566	0.3
63.46994	0.3
71.01404	0.9
71.63044	0.3
72.96333	0.3
73.02963	0.5
85.02985	0.4
89.02444	0.5
89.66454	0.3
101.02482	1.2
112.42178	0.3
121.02964	0.4
161.04597	0.3
163.06113	0.4
236.48077	0.3
241.02391	0.3
243.56911	0.4
297.13510	0.4
330.58618	0.4
382.82837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15790	0.5
58.00609	0.7
58.43512	0.5
59.01381	100.0
60.01717	0.7
60.66955	0.5
61.98831	13.3
69.31243	4.6
71.01382	13.8
72.99281	1.1
75.00877	0.5
83.01373	0.6
84.81114	0.5
85.02950	2.4
85.83480	0.6
87.00896	1.5
89.02448	21.7
89.02995	1.1
95.01427	1.3
98.19831	1.0
101.02450	7.8
113.02463	6.3
119.03506	9.2
125.02476	1.5
131.03539	1.0
137.02496	0.5
143.03487	2.6
149.04633	1.3
151.00397	0.7
151.04022	0.8
161.04584	2.7
179.05624	11.0
194.75624	0.6
265.14285	0.6
328.86832	0.6
349.08435	0.7
427.19635	0.8
487.22250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	12.4
59.01389	84.4
61.98840	100.0
70.05439	11.4
71.62273	10.9
73.02949	58.8
78.95930	12.3
83.05034	25.7
85.02949	17.2
97.06595	22.8
98.07756	12.4
106.29645	11.3
111.04525	29.5
112.77393	15.2
113.02425	11.7
117.66709	12.0
125.09708	22.7
144.60664	11.7
187.09785	17.0
197.08203	36.0
241.07199	30.7
487.22672	21.8
487.29608	64.7
489.82516	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70364	0.7
55.01897	0.7
58.00591	0.8
59.01385	100.0
60.01738	1.1
60.77854	0.6
61.98833	5.6
64.93632	0.6
71.01388	24.4
71.63190	0.7
71.63567	1.0
72.99323	2.3
77.13067	0.6
78.54694	0.6
83.01416	1.3
85.02965	3.7
85.97771	0.6
87.00903	2.0
89.02451	35.2
90.02773	0.8
95.01379	1.1
101.02458	12.5
106.96372	0.6
113.02457	9.6
114.02699	0.7
119.02748	0.5
119.03509	13.2
119.04313	1.1
120.66818	0.6
125.02475	1.8
131.03543	1.3
143.03577	3.8
149.04564	1.2
161.04546	4.4
167.03506	2.1
179.05632	19.4
179.07169	1.3
179.55739	0.6
194.56688	0.7
227.03615	1.4
255.03125	2.1
271.02396	0.8
284.03397	1.6
284.49268	0.7
285.04056	1.3
289.07144	1.2
302.03641	1.0
303.04141	0.9
325.09341	0.8
449.09711	3.1
487.21381	0.6
488.11697	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
56.36096	0.9
57.03436	2.3
57.39199	0.9
59.01379	100.0
61.98828	15.3
62.50197	0.8
71.00985	2.0
71.01380	33.2
71.62603	1.0
71.62984	1.1
72.67289	1.0
72.99316	2.5
73.02943	10.1
74.99071	1.0
75.00882	1.0
78.95889	1.2
83.01397	3.7
85.02955	11.5
87.00878	2.6
89.02438	12.4
95.01405	1.0
96.95997	1.8
96.96951	2.0
97.02938	1.5
99.00892	4.4
101.02442	23.9
102.02782	1.1
108.02182	1.5
111.04572	0.8
111.90134	0.8
113.02454	16.4
118.98094	1.5
119.03477	4.7
120.99697	0.8
125.02453	4.6
136.99057	1.0
143.03525	4.3
151.03973	1.6
155.20288	0.9
159.02951	3.2
161.04559	32.2
165.03821	1.1
168.00642	1.7
179.05582	2.5
179.10738	2.7
205.12369	0.9
247.13437	2.6
329.05826	1.6
371.40564	0.9
397.18625	4.1
409.18533	1.2
427.19681	18.4
428.20020	1.8
440.99530	1.0
441.17435	2.1
449.10052	1.3
487.15277	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	487.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	2.7
59.01384	100.0
59.06796	1.5
61.98832	15.0
69.03449	4.5
70.94266	2.4
71.01391	71.0
72.90941	1.6
72.99309	4.8
73.02950	7.1
74.80232	1.7
74.99107	10.6
81.03429	3.3
83.01396	5.2
85.02970	13.5
87.00886	4.1
87.84859	1.6
89.02452	78.0
95.01402	3.0
97.02959	8.4
99.00890	5.5
101.02455	22.5
113.02462	17.6
115.04033	2.2
119.03516	8.4
125.02444	24.8
131.03532	13.3
132.05791	2.4
133.06601	36.6
136.99123	6.2
139.04086	1.8
143.03513	5.6
149.04565	21.8
161.04544	8.8
163.11302	3.5
167.98848	2.2
179.05652	8.5
191.05629	7.0
233.06688	9.0
259.04239	4.1
293.08829	53.0
294.09180	2.4
324.08823	6.5
325.09085	19.9
340.77264	1.9
427.15570	2.0
484.38922	2.0
487.13809	2.0
487.21191	3.3
506.39313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24502	0.8
52.64300	0.7
57.03454	1.9
58.00578	0.8
59.01384	12.4
61.98829	23.5
67.66821	0.8
69.03447	2.5
69.46409	6.4
71.01385	8.0
73.02942	1.4
81.03451	1.1
82.31349	0.9
83.01392	2.2
85.02939	1.8
87.00835	0.8
87.04505	1.0
89.02438	5.5
90.73857	0.9
95.01383	1.7
96.96015	1.0
97.02933	2.1
101.02431	2.7
107.01385	2.2
108.02190	1.7
109.02951	2.0
113.02441	3.1
113.20840	0.8
115.31011	0.9
119.03484	1.6
119.05022	1.3
121.02968	0.9
123.00892	8.3
124.01665	29.7
125.02452	46.4
126.02789	1.8
135.04536	1.0
135.08180	0.8
137.02467	5.8
139.03960	1.1
149.02422	1.5
149.99588	27.9
150.00833	1.3
151.00395	7.4
151.04036	1.3
161.02415	2.0
161.04529	1.2
167.03447	1.6
168.00639	59.6
169.01338	6.1
173.11810	3.2
179.03514	2.0
179.10558	1.1
193.01477	0.8
247.13210	0.9
268.61365	0.8
289.07269	1.2
306.10559	0.8
313.05655	1.6
443.20624	1.1
487.18198	100.0
488.18594	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21047	0.3
52.58656	0.4
57.03463	0.4
58.05375	0.3
59.01384	3.7
59.50610	0.3
61.98834	100.0
71.01364	0.5
71.85018	0.4
77.21815	0.4
109.06606	0.5
135.04532	0.9
273.07205	0.4
427.20901	0.5
486.15930	1.1
486.31305	0.9
487.31201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.5
61.98837	100.0
69.49740	0.9
69.50166	1.4
71.01376	0.7
87.45974	0.3
88.98817	0.3
89.02480	0.5
98.20596	0.6
98.95106	0.3
101.02474	0.7
108.21707	0.3
110.19401	0.3
125.02477	0.4
160.59097	0.3
172.18912	0.3
177.09305	0.3
178.09630	0.3
205.13239	0.3
211.06091	0.3
249.35345	0.3
483.76071	0.3
487.19940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05336	0.2
59.01390	0.5
61.98830	100.0
62.98537	0.3
65.62961	0.2
67.22182	0.2
68.76308	0.3
69.63783	0.7
69.64187	0.7
71.01378	0.4
78.09351	0.2
90.67744	0.3
118.96826	0.2
125.02525	0.2
243.14264	0.2
293.18597	0.3
319.65848	0.2
397.98160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80076	0.4
59.01381	0.8
61.98830	100.0
71.01368	0.8
71.83507	0.3
101.02451	0.5
120.43630	0.3
125.02512	0.4
137.02475	0.6
254.91197	0.3
262.07217	0.3
354.11243	0.4
409.97635	0.3
504.30600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21312	0.5
56.73180	0.5
59.01369	0.7
61.98820	1.1
65.08836	0.5
68.88572	0.5
69.50291	0.5
71.62625	0.5
71.63002	0.5
88.04049	56.8
88.56190	0.4
89.04404	0.8
93.83310	0.5
96.96014	0.7
147.08179	2.1
149.09705	1.5
160.08951	0.5
161.09761	1.6
163.11288	3.1
183.90904	0.5
187.11288	2.3
192.07925	0.8
279.14001	0.9
280.14816	1.0
296.81012	0.6
307.16916	0.6
309.22162	3.0
322.19562	0.6
337.21744	100.0
338.22089	12.3
372.20212	0.5
382.27823	0.7
486.26938	11.2
486.33286	1.1
487.27264	1.7
487.34412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03442	1.7
58.00600	1.4
59.01379	62.5
60.01695	1.5
61.98837	17.9
69.03463	2.9
69.36256	8.5
69.36658	1.7
71.01381	28.5
72.99304	2.2
73.02947	9.3
81.03455	2.1
83.01377	3.0
85.02959	9.3
89.02446	22.6
93.03452	1.8
95.01383	2.2
97.02950	5.3
99.00861	1.2
101.02448	25.8
103.04008	19.7
108.02196	1.4
109.02951	3.2
113.02435	3.1
119.03658	12.4
119.05027	100.0
120.05346	3.1
123.04519	1.4
125.02449	23.7
126.02855	1.2
127.04033	1.4
131.03526	1.6
143.03481	2.7
145.05032	3.8
149.99544	1.3
151.03935	1.3
152.01128	3.2
153.01927	1.9
161.02513	1.2
163.06129	21.6
165.90242	1.0
168.00595	1.0
177.01732	1.0
179.05762	1.4
205.05013	1.3
205.07068	1.5
247.08131	5.0
307.10367	21.3
308.10742	2.7
408.05511	1.0
487.15167	2.3
513.94025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39978	0.5
54.26577	0.5
55.01876	0.5
57.03434	0.5
58.00601	1.1
59.01380	100.0
60.01712	1.3
61.98830	16.3
63.23317	0.5
63.99239	0.5
69.36269	0.5
71.01382	17.2
71.99612	0.6
72.99294	1.5
73.02970	1.7
80.92879	0.5
85.02956	2.7
87.00887	1.4
87.56193	0.6
88.46411	0.5
89.02448	26.6
95.01414	1.0
101.02455	8.6
109.02948	0.5
113.02451	7.0
119.03503	9.3
122.03733	1.0
125.02483	1.8
131.03529	1.2
135.90175	0.6
136.05345	0.5
143.03522	2.4
149.04533	1.1
161.02437	1.2
161.04520	3.7
165.09268	0.5
173.11914	1.0
179.05615	13.6
179.07172	0.8
180.05966	0.8
224.04678	0.6
266.05856	0.7
271.02689	0.7
296.09512	0.6
300.02722	0.9
301.03455	0.6
324.08768	9.5
327.05127	0.8
347.55411	0.5
378.46185	0.5
439.99866	0.6
447.09180	1.0
485.19843	2.2
486.14230	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	485.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85178	1.9
57.03453	2.4
59.01381	36.7
61.98834	100.0
62.16808	2.0
71.01385	40.4
71.39185	4.6
73.02942	17.5
75.00857	3.3
78.91893	2.0
78.95907	2.1
80.91693	14.4
82.77237	1.8
83.01397	8.1
85.02956	13.9
87.00886	5.2
88.98756	2.3
89.02443	18.1
95.01394	2.6
96.96064	1.8
99.00883	4.5
101.02451	40.0
102.02777	2.1
109.02952	2.6
111.00909	2.2
113.02451	19.1
118.03009	9.2
119.03500	5.0
125.02446	5.3
131.03503	2.3
143.03510	3.2
143.72806	2.1
149.04575	2.2
151.04002	2.0
152.01172	1.9
152.07173	3.8
159.00108	1.7
159.02988	4.5
161.04599	11.2
163.06155	2.7
165.01833	1.8
165.05571	3.1
173.04703	2.1
177.01981	11.7
178.02477	1.7
179.05548	2.8
279.14423	14.1
293.16049	49.0
425.20270	76.1
426.20892	9.9
508.63678	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	486.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.7
61.98838	100.0
64.39713	0.8
66.07340	0.7
69.29239	8.2
71.01405	1.9
83.05029	1.0
85.02939	0.8
89.02480	0.9
97.06601	1.0
99.35352	0.8
101.02459	1.2
112.81321	0.8
146.65816	0.8
157.89108	0.7
159.51155	0.7
313.35892	0.8
348.06479	0.8
355.21429	1.1
459.43323	0.8
486.28436	1.0
487.28531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06867	1.0
59.01367	4.6
61.98835	100.0
71.01395	1.5
71.63249	1.6
78.95901	1.4
80.60529	1.2
84.05917	1.1
85.02959	1.3
89.02459	1.4
96.96957	1.0
101.02374	1.2
102.53919	1.0
104.70169	0.9
111.04548	1.3
119.04967	1.1
153.09221	1.0
395.96509	1.1
398.60861	1.2
398.65915	1.1
493.90811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62873	1.0
57.03453	1.6
57.39743	1.0
57.40014	1.3
57.82115	1.0
59.01379	7.1
59.87623	1.1
61.98831	100.0
83.67033	0.9
85.02954	1.1
85.79082	1.1
95.05019	1.2
97.06601	1.8
109.06506	1.2
140.81616	1.0
143.01570	1.1
162.56964	1.0
179.03575	1.1
220.48100	1.1
287.22446	1.5
443.31726	2.2
469.33072	4.6
486.28079	1.8
487.34628	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60130	0.5
59.01393	4.2
61.98835	100.0
69.39461	4.0
71.01395	2.8
73.02954	0.8
74.99109	0.7
75.00893	0.5
85.02956	0.8
89.02471	2.1
95.01370	0.6
101.02460	1.4
113.02451	1.3
119.03521	1.3
120.99725	0.6
123.04606	0.5
125.02499	0.7
161.04582	0.6
163.96725	0.6
168.00732	0.7
177.05780	0.5
179.05801	0.5
194.08241	0.4
203.14513	1.0
245.15416	0.5
258.48776	0.5
484.19122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51823	0.4
59.01377	2.2
61.98831	100.0
69.61674	2.2
71.01389	1.6
74.99104	0.4
79.25210	0.4
81.10684	0.5
82.08479	0.4
85.02980	1.1
87.00883	0.6
89.02448	1.0
101.02458	0.8
113.02502	0.5
120.05756	0.4
124.01669	1.2
125.02424	0.9
147.98412	0.4
149.99579	0.7
155.10686	0.6
161.04631	0.6
168.00610	0.7
177.96413	0.7
199.09633	0.5
266.08408	0.4
279.48294	0.4
322.07379	0.9
424.22635	1.0
447.21863	0.4
484.19150	3.9
485.17206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75043	0.5
55.01878	0.7
57.03460	0.6
58.00606	0.6
59.01379	100.0
59.81806	0.5
60.01712	0.7
61.98843	3.5
62.93625	0.5
69.40868	4.2
71.01383	12.7
71.05030	0.6
73.02943	3.5
78.95908	6.3
83.01386	1.0
84.65640	0.5
85.02947	5.0
87.00916	0.6
89.02432	5.7
95.01402	1.0
96.96012	8.9
96.96959	12.5
99.00890	1.2
101.02441	7.1
108.02193	1.5
109.02953	1.2
113.02457	6.2
113.94186	0.7
119.03502	2.6
125.02438	1.0
143.03520	1.4
143.04631	0.7
145.10262	1.3
152.01120	0.7
153.02007	0.7
159.03033	1.4
159.04503	0.9
160.04028	1.4
161.04552	10.6
161.05855	0.8
168.00618	0.7
179.05663	2.2
201.12819	3.4
209.55235	0.5
245.11795	3.9
254.77299	0.5
263.12982	2.1
268.44217	0.5
327.05206	1.9
357.06418	0.6
359.18600	0.5
388.16376	0.6
407.17203	5.3
447.09644	2.3
485.17227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.1
59.01383	100.0
60.01727	1.1
61.98833	15.4
67.64254	0.6
69.48186	1.2
69.48611	4.3
71.01385	16.7
72.99306	1.5
73.02959	1.0
85.02972	2.6
87.00893	1.8
89.02454	22.4
97.06586	0.7
99.04537	0.7
101.02456	9.3
107.38569	0.6
113.02467	6.9
119.03503	8.3
120.85722	0.6
122.03796	1.3
123.04549	1.1
125.02460	1.4
131.03542	1.9
143.03546	2.8
148.65919	0.7
149.04469	0.7
156.13112	0.7
161.02521	0.8
161.04553	4.3
165.09254	0.7
173.11783	1.1
179.05617	13.6
179.07178	1.1
237.05820	0.7
240.36955	0.7
266.05878	0.7
267.06628	0.9
296.09473	0.9
298.28430	0.7
298.32184	0.9
300.02829	1.3
316.60577	0.7
318.58795	0.7
324.08734	13.4
337.18555	0.7
398.26193	0.7
423.03250	0.7
447.09473	2.0
485.19946	1.2
486.14584	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.03790	0.4
56.51901	0.4
59.01390	0.5
59.47086	0.4
74.45863	0.5
76.27250	0.4
78.95905	17.1
90.19093	0.6
96.96954	1.7
109.70315	0.5
114.81606	0.5
131.74889	0.4
152.99593	30.4
162.15160	0.4
165.63957	0.4
171.00710	1.2
196.81555	0.4
227.03288	4.3
244.97871	0.5
245.04279	0.8
255.23300	100.0
256.23663	9.4
365.60443	0.5
391.22333	0.9
395.14633	0.5
431.27988	0.4
469.79639	0.5
483.27280	57.1
484.27658	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	483.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.01380	10.5
69.03452	3.0
71.01385	19.0
71.63801	1.1
73.02951	26.9
75.00880	2.1
77.77048	0.6
78.95908	1.6
81.03433	1.0
83.01402	3.1
83.05028	2.0
85.02950	2.7
86.06198	0.6
87.00893	1.7
93.03438	0.8
94.48298	0.6
95.01398	1.9
97.02950	4.5
97.06590	1.5
101.02448	100.0
102.02823	2.1
107.78770	0.7
109.02962	1.0
111.00924	0.8
113.02464	3.6
115.04009	1.1
123.08160	0.9
125.02464	4.1
125.09728	6.8
126.06387	0.8
131.03502	10.3
137.02457	0.9
143.03525	3.4
153.31029	0.8
155.03481	1.6
167.23837	0.8
175.24873	0.6
187.09769	2.8
247.13637	0.8
256.23477	1.0
265.21838	1.1
277.21716	1.3
279.23318	17.3
280.23727	1.5
293.24747	3.4
303.23190	1.1
313.23831	2.4
437.31195	1.2
483.33102	12.6
484.33664	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	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51823	0.4
59.01377	2.2
61.98831	100.0
69.61674	2.2
71.01389	1.6
74.99104	0.4
79.25210	0.4
81.10684	0.5
82.08479	0.4
85.02980	1.1
87.00883	0.6
89.02448	1.0
101.02458	0.8
113.02502	0.5
120.05756	0.4
124.01669	1.2
125.02424	0.9
147.98412	0.4
149.99579	0.7
155.10686	0.6
161.04631	0.6
168.00610	0.7
177.96413	0.7
199.09633	0.5
266.08408	0.4
279.48294	0.4
322.07379	0.9
424.22635	1.0
447.21863	0.4
484.19150	3.9
485.17206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58251	0.7
69.58668	1.7
71.74402	0.3
78.95902	7.3
80.61765	0.3
96.96981	0.6
129.12164	0.3
152.99583	14.3
153.99936	0.3
163.92665	0.3
166.83121	0.4
171.00665	1.6
171.01991	0.4
227.03256	3.4
245.04347	1.3
255.23291	100.0
256.23621	8.3
257.85001	0.3
385.57773	0.3
483.27213	26.6
484.27615	4.1
487.22076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
61.98830	100.0
63.99260	0.5
70.92678	0.8
71.01388	1.9
73.02933	0.4
75.00893	0.7
85.02948	0.5
89.02443	0.8
101.02441	1.1
108.02221	0.6
109.02973	0.6
113.02456	0.6
116.03588	0.4
122.06097	0.6
144.04645	0.4
152.01199	0.7
153.02013	0.5
261.08893	0.7
283.59421	0.4
291.14447	0.7
315.07330	0.4
423.18732	0.9
482.13171	0.6
482.57632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01488	0.4
59.01379	1.0
61.98833	100.0
66.27618	0.4
69.39059	0.4
70.09704	0.9
70.10094	0.8
71.01403	0.6
80.26378	0.4
126.23923	0.4
140.01289	0.4
172.81320	0.5
176.39861	0.4
194.69548	0.4
324.09442	0.5
443.96161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
138.65910	0.3
188.31744	0.4
191.70534	0.4
197.42700	0.4
295.67340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
61.98822	3.1
65.83185	1.0
67.79924	0.8
68.24422	0.7
69.48746	6.2
71.01385	6.0
72.99302	1.9
73.02952	2.7
78.95920	0.9
79.01900	1.3
83.01401	1.7
85.02929	2.5
87.00877	1.5
89.02446	2.3
94.98094	1.0
96.95995	1.3
96.96959	1.8
99.00852	1.0
99.84110	0.8
101.02447	6.8
109.02955	2.3
111.00886	1.2
113.02414	2.1
119.05021	1.0
121.02962	0.9
123.04533	1.1
125.02453	1.9
133.02951	12.1
135.04523	1.8
137.02397	1.9
147.04576	1.5
147.49495	0.9
149.02444	2.4
161.02457	1.5
161.04596	1.4
163.00357	0.9
163.03963	2.0
165.01895	2.0
175.03993	2.9
191.03488	1.8
193.01472	1.7
201.01910	1.2
211.05873	0.8
213.05598	1.7
227.03568	0.9
240.04224	0.9
241.05037	1.1
243.03259	0.9
253.05031	1.4
269.04529	1.4
284.03250	9.8
285.04074	6.9
289.07172	2.7
297.03992	13.5
297.07132	1.3
298.04782	12.0
299.05600	18.3
299.08984	1.0
300.05988	1.5
311.05661	2.3
321.19162	1.7
325.03391	0.9
327.05084	100.0
328.05414	10.5
339.05057	3.7
341.06448	0.8
357.06146	26.4
358.06427	1.8
369.06110	3.4
423.54547	0.8
447.09326	74.4
448.09753	7.7
483.13889	1.4
483.24753	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	483.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.7
58.00616	1.2
59.01384	24.4
61.98831	11.9
71.01392	15.3
72.99311	1.9
73.02953	7.7
74.99079	1.2
75.00877	10.3
78.63744	0.9
83.01376	3.0
85.02962	6.7
87.00859	1.5
89.02457	6.9
99.00891	2.2
99.04540	7.7
101.02451	15.7
111.00887	2.1
113.02457	6.3
116.05070	3.7
117.59820	1.0
119.03544	1.5
119.05023	2.6
123.04512	1.2
125.02478	2.4
136.07700	1.2
136.99110	1.0
140.25339	1.0
141.02049	1.0
148.07672	1.2
149.07251	1.4
159.02951	1.4
160.04010	1.1
161.04555	11.8
163.08781	1.4
169.07716	2.6
176.05919	11.7
177.01910	4.2
177.06691	14.7
188.05859	1.8
191.08295	25.7
203.08290	4.7
205.06181	35.3
206.06577	1.2
219.07750	47.8
219.11131	2.0
220.08182	2.2
227.08347	1.5
229.06261	1.2
229.39801	1.5
231.07700	4.4
233.09395	1.7
243.07726	1.8
245.09196	4.0
247.07314	2.7
247.54909	1.1
259.07278	1.7
260.10645	1.2
261.08768	3.0
277.13373	4.2
289.07211	2.0
291.14429	2.8
293.11389	1.7
297.04208	1.1
303.09805	1.4
321.10727	26.3
321.19110	4.2
322.11441	1.5
327.05054	1.3
333.13574	1.5
339.11963	100.0
340.12247	9.4
381.13031	42.2
382.13315	4.7
421.16055	10.4
423.18988	1.6
483.16397	14.0
483.24487	29.0
484.17041	3.1
484.24698	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	483.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03694	0.8
57.03450	1.0
58.00588	2.7
59.01384	100.0
60.01709	1.4
61.98835	25.4
71.01388	38.8
71.62996	1.3
72.99317	3.6
73.02955	2.0
78.99773	0.8
83.01399	1.4
83.17658	0.8
85.02945	5.4
87.00884	2.5
88.15710	0.9
89.02453	59.3
90.02784	1.0
95.01408	2.7
101.02453	21.0
111.00894	6.2
113.02461	16.4
119.03513	24.4
119.04308	1.8
125.02447	2.0
131.03491	2.6
143.03529	6.1
149.04536	2.9
161.04561	7.3
179.05615	25.8
183.10271	1.1
243.10275	1.5
248.23805	1.0
253.59735	0.9
254.67708	0.8
327.04929	1.6
498.49927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.8
57.03440	7.9
58.00632	2.1
59.01095	3.8
59.01379	63.8
61.98830	100.0
64.56673	2.0
68.89500	2.3
69.57140	10.2
71.01385	63.5
73.02945	21.3
74.02477	2.9
78.95914	2.5
80.91679	3.3
81.03458	2.4
83.01385	10.7
84.14999	2.2
85.02959	22.1
85.54983	2.1
87.00868	5.3
88.98840	2.2
89.02448	33.1
95.01391	4.2
95.22836	1.9
97.02950	3.5
99.00882	9.5
99.04501	2.3
101.02446	46.9
103.04020	6.3
108.02235	4.6
109.02976	3.8
113.02435	20.4
116.03534	2.9
119.03498	12.1
121.67762	1.9
122.06149	3.7
125.02461	11.2
131.03482	5.0
137.02411	4.3
143.03448	4.7
149.04555	6.6
159.02992	2.3
161.04547	22.2
163.06107	11.5
164.01143	2.7
195.02867	2.4
204.94598	2.2
219.08565	2.6
230.95567	2.1
261.08716	9.5
277.12955	12.0
291.14499	60.5
292.14838	5.7
301.07056	2.4
303.07712	4.5
307.10391	3.3
321.08865	2.7
335.13562	2.3
365.14459	4.6
423.18695	80.9
424.19000	7.5
483.15179	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	481.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67548	0.9
70.74979	2.3
74.87227	0.8
100.24960	0.9
123.08147	1.1
136.05249	1.0
151.07593	2.6
153.02789	0.9
169.57744	0.9
189.97375	1.0
198.66150	0.9
374.92462	1.3
375.36398	12.5
376.36670	2.0
381.59521	1.0
391.36041	1.3
393.37381	100.0
394.37793	13.2
401.34735	1.4
419.35284	4.2
437.36331	79.8
438.36624	11.0
481.35165	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	482.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49233	0.4
59.01380	2.5
61.98511	0.9
61.98829	11.5
62.19221	0.5
63.36509	0.4
66.20502	0.4
71.01385	2.3
71.62879	0.6
73.02944	0.6
73.81981	0.4
78.95937	0.5
84.02466	0.4
85.02936	0.6
89.02452	1.7
96.96036	0.9
96.96967	1.0
101.02434	1.1
102.02818	0.4
108.02178	7.4
113.02469	0.7
138.01973	100.0
139.02351	3.1
149.68234	0.5
152.01183	0.6
161.04543	0.5
291.14389	0.8
339.11826	2.2
351.61334	0.5
423.18536	0.6
482.10678	3.4
483.11084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41893	1.2
57.03451	3.8
58.00623	1.0
59.01381	16.2
61.98843	1.4
66.67358	1.1
69.03456	2.6
69.89381	6.3
71.01388	25.5
73.02955	34.8
81.03466	1.1
83.01390	7.0
83.05014	2.2
85.02953	4.3
87.00868	2.9
93.03494	1.0
95.01434	1.7
97.02952	10.4
101.02451	100.0
102.02758	2.4
113.02458	7.5
115.04028	2.5
125.02467	4.0
125.09758	1.7
131.03529	4.3
143.03529	4.3
152.99602	2.6
155.03471	2.1
161.04599	1.6
232.60385	1.2
235.17091	1.4
255.09599	1.1
255.20865	1.3
277.21741	20.6
278.21997	2.4
291.23315	4.2
301.21640	1.6
319.22931	2.4
374.96671	1.2
437.30673	3.2
481.30414	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	481.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60429	2.0
57.03453	21.9
59.01388	23.8
61.98825	6.6
65.44289	1.7
68.88719	2.2
68.99826	3.2
69.03432	4.5
71.01385	24.3
71.05054	2.8
71.63371	3.0
73.02955	27.1
75.00832	2.2
81.03479	5.4
83.01398	5.3
83.05029	17.7
85.02947	10.4
87.00902	3.0
93.03462	3.3
95.01447	2.7
95.05042	3.1
97.02939	5.7
97.06586	3.1
99.04508	2.7
101.02450	100.0
102.02771	3.7
108.02197	4.3
109.02981	4.2
111.00900	3.3
111.04511	4.3
113.02458	31.9
117.88907	2.4
121.06591	2.5
123.04524	20.0
125.02448	6.2
127.04044	2.3
131.03523	5.2
133.11002	2.1
137.02429	4.0
141.34814	2.0
143.03477	3.0
155.03503	27.1
161.13283	3.3
163.07683	5.1
205.12331	8.7
233.11794	6.8
247.13295	3.6
249.47319	2.1
261.11279	3.8
277.21732	70.6
278.22110	7.3
291.23389	5.3
305.24939	10.0
331.22687	2.9
333.20459	2.1
333.24426	6.0
344.23077	2.4
361.23819	16.1
375.26953	3.5
393.21307	2.5
393.27713	3.3
406.25772	2.3
435.29150	2.7
437.26733	10.5
481.25363	11.8
481.29913	17.0
482.26361	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	481.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	1.0
59.01332	1.8
70.30756	0.3
70.65212	1.2
70.95507	0.4
71.01343	0.5
74.67566	0.4
78.95910	33.2
79.05503	0.4
83.04980	1.4
90.14145	0.4
96.96913	1.3
97.02866	0.3
99.04517	0.4
101.02428	0.9
107.04884	0.3
109.57780	0.3
114.34051	0.3
134.98520	0.4
141.56198	0.3
152.99603	12.4
156.83131	0.4
159.11821	0.4
165.09236	2.9
168.04324	3.1
169.04633	0.7
171.00685	2.7
177.20114	0.3
189.16496	2.3
201.12848	0.4
203.14412	3.0
204.06416	0.4
214.70790	0.3
215.14429	0.8
224.06927	7.9
225.07393	3.1
227.03253	0.4
233.15567	1.8
242.08014	1.9
243.08325	0.9
245.04315	15.8
247.13342	1.0
253.21721	11.3
254.22130	0.6
255.23303	49.4
256.23642	100.0
257.23935	4.5
301.73495	0.4
375.30460	0.6
381.28296	0.5
419.29764	1.1
437.30661	12.4
438.30774	1.9
463.28818	0.6
481.31226	38.0
482.31580	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	481.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70383	9.8
61.98859	10.3
68.88117	8.9
69.36201	32.6
69.36627	53.6
90.60730	8.0
98.20651	22.3
118.78128	8.4
255.23274	35.1
375.36261	11.3
393.37399	100.0
394.37405	14.3
406.22421	8.6
419.35602	26.7
437.36310	97.6
438.36484	21.6
481.35522	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78289	8.7
59.01384	59.2
61.98830	100.0
71.01382	51.5
73.02946	15.6
85.02959	19.6
89.02447	31.4
97.54254	7.7
101.02451	25.4
113.02465	11.6
119.05006	11.8
120.53507	9.1
137.06107	25.5
161.04628	15.1
199.09866	13.9
220.63660	8.7
289.16287	14.0
313.16162	9.3
346.74597	9.9
349.22253	18.1
392.98224	10.3
421.20581	11.8
481.18604	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56774	3.1
57.03452	4.7
59.01382	49.6
60.99309	13.8
61.98835	54.8
65.99123	3.0
69.61681	7.1
69.62090	12.5
71.01394	20.7
72.99305	10.0
73.02948	10.2
75.00883	4.4
83.01386	2.7
84.57779	2.8
85.02962	11.7
87.00906	14.5
88.00397	6.4
88.98256	3.9
88.98813	90.8
89.02450	100.0
99.00890	5.0
99.04504	3.3
101.02475	18.2
113.02438	9.1
119.03509	3.3
123.04486	4.0
125.02437	5.7
161.04514	3.7
196.78334	2.7
198.84911	3.4
319.91214	2.9
410.72903	3.7
421.24640	4.6
481.20581	5.1
481.26743	75.2
482.26746	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
57.03445	3.6
59.01379	38.7
61.98838	18.0
69.62712	13.4
71.00988	2.5
71.01381	40.6
73.02940	16.8
83.01390	11.7
85.02953	18.4
89.02440	7.7
95.01408	3.1
97.02938	3.3
98.20589	4.4
99.00891	6.2
101.02442	42.4
102.02840	1.8
113.02440	18.4
123.00882	15.1
124.01656	37.5
125.02452	11.7
139.04004	40.8
151.03917	2.7
151.07617	3.1
153.09201	6.9
159.02983	2.3
161.04536	19.7
168.93536	2.1
190.99335	1.9
243.65446	1.9
244.93231	1.8
289.16571	100.0
290.17020	8.7
409.91266	1.9
421.20804	44.1
422.21228	5.6
481.17349	13.3
481.24500	1.8
481.32181	2.2
482.19116	1.9
502.33777	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41968	3.0
70.42321	1.2
78.95901	38.3
84.76328	1.1
96.96954	3.8
111.48536	1.0
152.99594	53.7
157.54291	1.0
171.00632	16.1
177.56876	1.0
227.03212	4.1
245.04311	100.0
246.04630	2.3
253.21719	64.5
254.22011	4.6
437.30618	2.0
481.25647	38.3
482.26022	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	481.1352
Annotation	Catalposide
Peak:m/z	Relative Intensity
56.86826	1.1
57.03443	3.1
59.01382	12.9
61.98832	100.0
67.38101	1.1
69.03446	2.4
69.45496	5.9
69.45900	2.1
70.81430	1.0
71.01384	10.3
72.99341	1.6
73.02943	1.9
75.00880	3.9
78.91914	2.5
79.25135	1.0
79.95763	1.1
81.03454	2.6
83.01390	10.1
85.02966	4.2
89.02475	7.0
93.03467	3.8
95.01414	2.3
97.02979	3.2
98.20691	2.2
99.04502	2.1
101.02429	5.6
104.07893	1.3
104.25716	1.1
107.05025	2.3
108.02172	9.3
109.02966	20.1
113.02458	3.7
119.03519	2.7
120.02177	2.3
121.02947	3.5
122.03724	1.3
123.00869	1.8
123.04546	6.5
124.01661	9.9
125.02448	34.3
133.02977	1.2
135.04585	1.7
136.01628	1.7
137.02446	90.1
138.03290	10.9
139.03992	4.0
139.11023	1.1
143.12405	1.0
148.01692	3.7
149.02417	5.8
149.04536	1.3
151.00363	2.3
151.04051	6.9
151.05370	0.9
153.01985	1.3
153.05589	3.6
160.01663	11.7
161.02466	11.2
161.04599	2.8
163.00363	3.6
163.03995	6.8
164.01152	27.6
164.14026	1.1
165.01924	18.2
166.02716	19.7
167.03523	9.6
170.02251	1.2
173.02411	1.1
175.04022	3.3
177.01970	7.1
178.02643	2.5
179.03476	2.5
181.05017	7.2
191.03528	2.1
193.05069	2.5
195.02994	22.2
196.03310	2.0
199.04042	3.3
200.04802	1.5
214.06279	1.4
218.05820	4.5
219.03027	3.2
225.05591	1.4
233.08199	1.8
237.05609	2.9
241.05034	2.3
242.05862	3.8
243.02983	2.1
252.08069	1.6
258.05179	1.8
259.11905	1.6
260.07068	1.2
268.03702	1.9
273.07672	3.2
275.09317	1.3
281.13947	1.9
281.88116	1.6
283.05984	1.6
283.09875	2.1
285.04022	3.8
286.04837	33.3
287.05200	3.8
299.07886	1.9
301.07156	94.3
302.07443	8.2
304.73715	1.3
309.04092	1.2
315.07785	1.3
319.08218	61.0
320.08597	6.1
325.07150	2.4
343.08337	3.7
357.08237	21.7
358.08673	1.8
448.10071	5.9
463.12524	8.1
464.13242	1.3
481.13824	11.2
481.18695	1.6
481.23679	2.5
482.13730	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40866	1.0
58.00630	0.7
59.01381	6.6
61.98833	26.4
65.45938	0.8
71.01380	6.2
71.62009	1.0
72.99309	2.7
73.02962	1.8
73.21308	0.8
75.00880	16.5
78.95921	1.7
85.02955	1.5
87.00870	1.0
88.98772	1.0
89.02443	4.7
96.96983	0.9
101.02470	3.7
113.02434	2.4
119.03522	1.1
123.64616	0.8
125.02430	2.5
131.03462	0.9
136.01683	2.3
137.02473	2.1
150.59813	0.8
151.03981	2.8
161.04492	1.4
185.06036	1.7
191.11876	0.8
196.05254	1.0
212.04822	1.2
213.05554	11.5
223.04007	1.9
224.04744	1.1
240.04424	1.2
241.05069	64.2
242.05466	5.1
256.07410	47.0
257.07742	3.6
271.09763	100.0
272.07333	1.1
272.10065	8.6
301.07281	1.2
319.08127	1.1
319.11765	18.8
320.12076	1.8
421.21039	2.4
481.10364	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45768	0.3
55.01876	0.4
57.03451	1.1
59.01367	2.3
61.98832	3.5
68.99811	0.6
69.03455	1.5
71.01384	7.0
73.02956	2.8
75.00909	0.3
79.46254	0.3
81.03463	1.6
83.01400	1.1
85.02950	5.6
86.99457	0.3
89.02460	0.9
93.03455	0.8
95.01375	3.0
98.20777	0.5
98.36902	0.3
99.00877	1.9
101.02449	4.4
101.06136	0.4
101.10986	0.3
107.05046	0.4
108.02177	65.8
109.02963	46.0
110.02538	0.4
110.03317	1.2
113.02436	2.4
113.06088	0.5
121.02964	0.7
121.28657	0.3
123.00873	2.0
123.04518	0.5
125.02460	0.5
131.03435	0.4
135.00871	0.4
135.04547	0.4
139.11275	2.5
151.03972	0.5
152.01154	67.6
153.01952	17.8
153.04053	0.5
154.02307	0.6
159.02942	0.4
161.04547	2.1
163.04030	1.0
165.01918	1.1
183.10216	2.4
183.11496	0.3
189.01938	0.4
289.16537	1.5
315.07242	2.4
341.06354	0.5
349.22290	4.8
421.20773	1.0
481.17145	100.0
482.17490	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	480.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60646	0.0
57.03433	0.1
58.00332	0.1
58.00608	0.1
59.01359	0.1
59.94255	0.1
61.98817	0.1
62.96419	0.1
69.40868	0.3
69.41294	0.2
73.02917	0.1
73.96772	0.1
78.95906	19.2
83.05010	0.1
85.02984	0.1
96.52111	0.1
96.96977	0.3
104.97437	0.1
110.06064	0.1
122.98524	0.2
134.98532	0.1
139.63071	0.1
150.98044	0.1
152.99591	2.7
165.09229	0.1
168.04314	3.1
171.00662	0.2
175.33466	0.1
189.16377	0.1
194.05890	0.2
202.07176	0.2
203.14449	0.2
224.06929	7.7
225.07410	0.3
233.15433	0.1
237.22168	0.2
242.07977	1.8
243.08130	0.1
245.04292	0.8
247.13284	0.1
253.21730	0.6
255.23291	100.0
256.23633	8.5
391.22546	0.2
419.29318	0.1
437.30591	0.7
480.30939	22.0
481.31223	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	481.0988
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03444	0.5
59.01375	4.3
61.98835	10.8
65.00305	0.6
69.03468	3.1
69.17348	0.4
69.44011	2.0
69.44438	1.8
71.01388	5.4
71.45633	0.4
72.01734	0.7
72.99297	0.8
73.02956	1.9
73.11472	0.4
75.00890	0.6
79.01894	0.9
79.82588	0.4
81.03468	1.1
83.01390	1.9
85.02952	2.3
87.00886	1.1
89.02478	2.9
91.01878	0.8
92.75423	0.4
93.03462	0.5
95.01384	1.8
97.02953	3.0
98.20599	0.7
101.02461	3.8
107.01395	2.0
108.02182	1.9
109.02960	1.7
113.02473	1.2
117.93759	0.5
118.88820	0.5
119.03539	0.6
121.02982	1.1
121.99306	0.5
123.00903	8.4
123.04544	6.3
124.01672	21.5
125.02458	39.9
126.02792	1.8
131.03505	0.5
136.01614	0.6
137.02449	2.8
137.06041	0.5
139.04033	1.0
142.91957	0.5
149.99594	35.0
151.00395	3.2
151.04021	1.3
152.01138	2.1
152.05208	0.5
153.01913	1.6
161.02423	0.6
161.04628	1.0
163.06125	1.2
165.01906	0.6
167.03500	12.3
167.04884	0.7
168.00648	59.8
169.01320	5.5
179.03493	0.7
189.01987	0.6
193.01431	0.8
211.02536	0.6
269.06628	0.9
296.05304	1.0
297.06241	0.5
311.07831	3.4
312.07932	0.5
313.05527	2.9
331.06656	4.1
339.81354	0.5
349.18622	0.6
357.05811	0.5
403.89221	0.5
463.08752	1.8
481.09875	100.0
481.26160	4.5
482.10202	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	480.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49578	0.4
59.01381	6.5
61.98835	100.0
69.37912	0.7
69.38310	3.0
71.01387	8.1
72.01746	0.9
73.02953	1.9
75.00890	1.7
83.01399	0.6
85.02947	2.1
89.02445	6.9
90.02818	0.6
95.01419	0.6
99.00906	1.6
101.02446	5.6
102.02785	0.9
113.02436	2.1
115.04049	0.7
125.02469	1.5
131.03511	1.8
149.04570	3.8
161.04498	2.5
163.06140	0.5
184.29646	0.4
191.05588	0.8
218.98653	0.4
221.37900	0.5
233.06700	0.5
293.08820	0.5
348.17691	0.9
411.04327	0.4
479.21420	0.8
480.21735	10.0
481.22556	1.3
493.39120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65740	0.5
61.98833	100.0
65.51392	0.6
75.24902	0.6
78.95934	0.6
182.85736	0.6
193.33984	0.7
283.26425	3.4
380.49606	0.7
481.29749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87494	0.8
61.98836	100.0
69.55858	4.7
75.54691	0.6
77.91190	0.7
83.66589	0.7
90.29501	0.7
91.65502	0.7
98.20664	1.4
109.34709	0.6
115.21612	0.6
152.82990	0.8
162.83969	2.6
195.10898	0.6
248.18073	0.7
252.98257	0.8
435.29190	0.8
481.29968	2.4
492.50388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85143	0.9
55.01872	3.0
57.03436	1.6
58.00583	2.6
59.01381	40.6
61.98832	76.0
69.03446	1.9
69.95846	5.1
71.01385	46.8
72.01680	1.1
72.99314	5.3
73.02956	16.8
75.00875	100.0
76.10035	0.9
81.03460	1.3
83.01392	4.6
85.02954	17.3
86.99702	1.0
87.00892	1.7
89.02446	29.0
95.01378	2.6
95.67606	0.9
96.96966	0.9
97.02946	4.3
98.19884	0.9
99.00882	13.4
99.04492	2.3
101.02442	29.1
109.02929	0.9
109.06599	1.2
111.00846	1.3
112.26405	1.0
113.02450	17.3
115.04014	4.1
119.03492	4.6
121.02966	3.7
123.04583	1.2
125.02452	7.1
125.29622	0.9
129.01897	1.2
131.03497	3.3
137.02388	1.4
143.03482	3.6
146.06175	1.0
149.04529	7.5
159.03009	2.9
161.04564	18.8
162.05637	1.6
166.06349	4.4
167.06691	2.8
179.05574	2.0
181.08682	6.0
182.09050	3.0
183.09218	1.5
185.11792	4.7
191.05595	3.9
204.06693	1.6
224.78401	1.1
233.06622	8.1
241.14532	1.0
269.12997	1.3
281.13989	2.2
293.08807	14.2
315.13818	1.3
327.13449	2.6
345.14597	8.9
347.17065	10.5
348.17227	1.1
389.13577	2.1
394.89041	1.0
403.19614	2.7
419.19144	1.1
465.67041	1.0
479.21332	87.7
480.21722	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	480.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.98835	100.0
69.64816	4.8
71.01397	2.4
73.02959	1.1
85.02986	1.4
89.02470	2.7
93.03457	1.1
101.02459	2.1
107.13498	0.7
118.91002	0.8
137.02505	0.8
147.00935	0.8
149.02397	0.7
151.00328	0.8
155.10765	0.8
178.57564	0.7
205.05019	1.1
224.73679	0.8
227.03493	13.6
228.03957	1.1
229.05070	1.2
255.02998	23.1
256.03500	4.2
283.02643	3.1
284.03256	26.8
285.03934	9.3
311.04919	1.6
317.05289	1.2
322.36386	0.9
326.07230	5.5
326.57535	1.9
406.95706	0.8
417.08286	46.3
418.08627	6.4
480.11734	4.2
481.22986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85143	0.9
55.01872	3.0
57.03436	1.6
58.00583	2.6
59.01381	40.6
61.98832	76.0
69.03446	1.9
69.95846	5.1
71.01385	46.8
72.01680	1.1
72.99314	5.3
73.02956	16.8
75.00875	100.0
76.10035	0.9
81.03460	1.3
83.01392	4.6
85.02954	17.3
86.99702	1.0
87.00892	1.7
89.02446	29.0
95.01378	2.6
95.67606	0.9
96.96966	0.9
97.02946	4.3
98.19884	0.9
99.00882	13.4
99.04492	2.3
101.02442	29.1
109.02929	0.9
109.06599	1.2
111.00846	1.3
112.26405	1.0
113.02450	17.3
115.04014	4.1
119.03492	4.6
121.02966	3.7
123.04583	1.2
125.02452	7.1
125.29622	0.9
129.01897	1.2
131.03497	3.3
137.02388	1.4
143.03482	3.6
146.06175	1.0
149.04529	7.5
159.03009	2.9
161.04564	18.8
162.05637	1.6
166.06349	4.4
167.06691	2.8
179.05574	2.0
181.08682	6.0
182.09050	3.0
183.09218	1.5
185.11792	4.7
191.05595	3.9
204.06693	1.6
224.78401	1.1
233.06622	8.1
241.14532	1.0
269.12997	1.3
281.13989	2.2
293.08807	14.2
315.13818	1.3
327.13449	2.6
345.14597	8.9
347.17065	10.5
348.17227	1.1
389.13577	2.1
394.89041	1.0
403.19614	2.7
419.19144	1.1
465.67041	1.0
479.21332	87.7
480.21722	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
56.60210	1.9
57.03451	3.1
59.01382	36.8
59.80417	1.9
60.89904	1.8
61.98833	51.8
66.75461	2.0
69.53520	1.7
71.01386	25.9
71.62343	2.8
72.01728	2.1
72.99310	6.9
73.02947	8.9
75.00880	4.8
81.03485	2.1
83.01420	3.2
85.02956	8.8
85.35312	1.7
86.03313	1.7
87.00887	10.2
88.00419	6.2
88.01177	1.9
88.98804	31.2
89.02448	100.0
89.88705	1.8
90.02760	2.5
99.00898	3.5
99.04501	2.0
99.08739	1.6
101.02444	15.1
109.02946	2.9
111.00874	3.2
113.02436	8.1
114.23169	2.0
119.03495	4.6
125.02448	3.8
131.03427	2.9
137.02310	1.9
139.07613	3.0
144.30354	1.8
149.04497	4.6
153.01949	2.3
161.04553	11.0
177.01990	2.4
179.05653	3.8
279.12384	2.4
282.24771	2.0
299.01895	2.8
316.02161	2.2
317.10385	3.0
317.19699	3.5
333.18271	2.9
346.10406	2.3
371.12491	2.5
373.68396	1.9
389.13629	3.1
419.19202	2.8
438.05392	2.0
460.67911	1.8
479.11676	5.4
479.25165	20.0
480.16913	2.6
480.24451	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82637	2.5
53.35201	2.1
57.03454	8.6
59.01392	37.2
61.98836	100.0
65.58650	2.4
69.03464	2.4
70.23859	5.3
70.24258	6.0
71.01389	38.4
72.99333	2.4
73.02962	11.3
78.86601	2.2
83.01386	5.3
85.02958	15.9
89.02449	17.6
99.00888	5.1
99.04563	3.8
101.02449	31.6
102.29668	2.2
108.08207	2.8
108.51078	2.3
109.02990	4.4
113.02450	11.8
119.03524	4.7
124.01686	3.0
125.02432	5.6
131.03514	3.7
137.02464	5.7
138.77013	2.6
149.02434	3.1
151.04047	2.5
152.07256	3.6
159.03107	2.6
161.04568	12.5
161.06349	2.4
190.95584	2.4
214.44138	2.0
244.46188	2.7
311.15256	2.7
347.20685	22.9
443.19263	4.6
463.77829	2.7
479.10062	6.3
479.16748	4.9
479.24869	15.6
479.31839	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	479.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17748	4.0
58.00587	4.4
59.01384	100.0
61.98537	5.3
61.98820	33.5
69.48722	23.7
69.49123	6.4
70.38405	3.4
71.01385	63.4
72.99320	10.8
73.02963	16.4
75.00871	8.2
83.01385	8.1
85.02943	29.9
89.02460	39.7
95.01359	4.8
97.00108	4.0
98.20601	6.5
99.00901	7.9
101.02452	51.5
113.02454	26.0
119.03513	13.9
131.03563	5.2
143.03534	5.2
149.04570	5.1
158.47534	3.6
159.02980	5.4
161.04558	40.5
179.05559	6.3
180.85127	3.5
191.03549	7.3
228.77361	3.5
257.10327	32.4
299.10309	6.6
345.14539	5.3
355.55664	4.5
419.15485	31.8
479.21518	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	479.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.6
61.98848	13.9
67.55067	2.3
68.90062	2.8
71.01397	18.7
71.61283	2.6
72.99318	21.4
73.02952	4.2
74.99091	6.3
75.00879	28.2
78.95899	8.8
82.28857	2.7
83.01402	4.3
85.02965	4.7
87.00875	5.8
89.02459	17.8
93.03443	4.3
95.01403	4.0
96.95993	7.1
96.96976	15.8
99.00902	3.7
101.02435	9.0
102.99084	2.9
107.01401	2.7
108.02189	4.0
109.02950	7.4
113.02460	5.4
113.05125	2.6
115.00373	3.7
119.03497	4.9
120.99650	6.5
121.02952	9.8
122.03791	2.8
123.00857	6.1
124.01685	4.5
125.02448	23.3
125.03365	3.8
133.02951	4.8
135.03012	63.4
135.04518	3.5
136.99132	7.2
137.02464	29.5
139.03989	3.8
140.01135	4.4
149.02463	17.1
151.00346	14.4
151.04034	4.3
152.01099	10.6
153.01878	9.1
155.03508	6.8
161.02377	6.6
161.04558	5.2
163.00346	10.6
165.01941	59.1
167.03491	4.8
169.01437	5.5
176.01114	9.0
177.01938	100.0
178.02306	5.4
178.99985	2.6
179.03464	6.4
180.04330	3.6
182.02267	3.3
183.03026	6.6
184.58968	2.8
189.01903	6.2
190.02753	4.9
191.03487	7.7
193.01425	7.5
195.06598	5.6
198.07835	2.5
202.99867	7.2
205.01492	14.6
208.00154	14.1
215.03413	4.0
217.01506	2.8
218.02165	5.3
219.02786	3.1
255.06494	2.9
257.04611	4.6
281.04486	3.5
281.13916	4.0
299.05612	9.0
325.03632	2.8
343.04541	29.6
344.04938	3.9
345.06171	2.8
345.14383	2.9
361.05579	6.5
371.06149	12.2
372.06671	3.3
373.64987	3.1
389.07315	25.5
479.10364	36.1
479.21539	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	478.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.4
61.98833	100.0
67.03207	1.5
67.92947	1.4
69.36562	11.9
96.62185	1.4
100.76656	1.4
111.04452	2.0
151.07706	1.4
211.13435	1.8
249.23431	1.4
435.25363	18.6
478.11215	2.6
478.27042	4.1
479.23953	5.4
479.28305	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	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	0.9
61.98801	0.8
63.73409	0.3
67.43933	0.3
69.55386	0.3
71.23340	0.3
78.95907	8.5
94.38485	0.4
96.96967	0.3
98.20665	0.7
105.64701	0.3
140.01215	2.2
144.15591	0.3
152.99638	1.6
153.76723	0.3
168.69756	0.3
171.00607	1.0
196.03775	1.1
210.96542	0.8
214.04846	2.2
215.83530	0.4
229.75713	0.4
231.13802	0.3
233.15509	2.0
278.22055	1.1
281.24847	100.0
282.25214	9.3
358.15735	0.3
445.44949	0.4
478.29446	10.5
479.29013	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42535	0.4
59.01390	0.7
61.98823	2.1
70.15913	1.3
78.95908	53.4
96.96951	2.7
116.59157	0.4
122.00110	1.0
131.43953	0.4
134.47627	0.3
134.98511	0.5
138.85721	0.4
140.01190	5.4
147.43961	0.4
149.54312	0.4
150.37042	0.3
152.36000	0.4
152.99583	7.7
153.20798	0.4
157.17828	0.4
171.00641	7.3
196.03804	10.5
214.04895	2.2
231.10368	0.5
259.22751	0.5
281.24850	100.0
282.25220	11.1
346.26697	0.4
478.29428	47.0
479.29559	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	478.2936
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
50.08138	0.5
59.01372	1.3
59.23988	0.4
61.98833	3.6
67.36318	0.5
70.42007	1.4
78.95904	100.0
83.05051	0.6
85.56830	0.5
96.96008	0.9
96.96968	9.0
116.09740	0.5
123.08141	0.7
152.98328	0.9
152.99583	17.5
171.00635	19.5
171.02098	1.0
207.33124	0.5
213.53940	0.5
214.04849	0.6
215.10866	0.5
217.12416	0.9
223.08191	0.6
231.13855	1.7
232.14253	1.2
239.87366	0.5
268.14554	0.5
382.41599	0.5
404.25677	1.7
407.35394	1.5
433.27478	0.6
461.26990	1.4
478.29388	61.9
479.29456	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	478.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.8
60.01724	1.5
61.98836	100.0
68.42329	1.2
69.71709	2.6
69.72125	5.5
70.24265	1.2
108.29551	1.2
134.30225	1.3
162.83946	1.7
174.48146	1.2
211.13365	1.5
217.65858	1.3
222.23097	1.4
231.13921	1.3
333.74301	1.4
435.24792	1.2
478.10602	1.4
479.23694	1.6
479.30188	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
56.94531	0.3
57.03445	0.8
57.44945	0.3
58.63523	0.3
59.01385	6.9
59.30255	0.3
60.01725	0.6
61.98832	100.0
69.03424	0.3
69.54572	2.0
71.01385	9.4
72.01727	1.2
72.99337	0.7
73.02953	3.8
74.03293	0.5
83.01398	2.4
85.02958	3.8
85.87474	0.3
86.03283	0.7
87.00883	1.5
89.02459	3.6
95.01391	0.8
97.02984	0.6
99.00898	1.3
100.01218	0.4
100.47595	0.3
101.02452	7.2
102.02782	1.5
103.04079	0.5
113.02444	3.1
114.02780	0.4
119.03511	0.9
119.04880	0.3
119.73396	0.3
124.73135	0.3
125.02460	1.0
143.03490	0.5
159.03038	0.7
161.04550	5.5
162.04947	1.3
163.06190	0.7
167.03552	1.0
168.03857	0.8
169.03894	0.6
183.10284	1.0
231.28122	0.3
239.25368	0.3
265.02109	0.3
317.06705	0.8
317.19772	0.4
331.17581	3.1
332.17950	6.1
333.18301	0.4
477.23236	0.5
478.23758	11.4
479.15805	0.7
479.24069	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09306	0.3
59.01376	3.3
61.98832	100.0
69.57526	2.8
71.01391	1.6
72.99304	1.0
73.02928	0.7
87.00842	0.4
88.98804	2.3
89.02473	1.6
95.10907	0.4
101.02467	1.4
104.72913	0.4
113.02462	0.6
125.02428	0.6
141.37067	0.4
149.33093	0.4
151.00388	0.4
216.04997	0.4
252.60812	0.4
257.01010	0.5
261.00470	0.4
287.61844	0.4
382.67261	0.4
411.31302	0.4
461.07568	0.8
468.69971	0.4
479.08481	1.0
479.24863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71901	0.3
59.01383	4.2
60.01716	0.4
60.99310	0.7
61.98832	100.0
65.71989	0.3
70.15724	0.3
71.01394	3.1
72.99329	1.4
73.02938	0.8
75.91878	0.3
85.02949	1.0
87.00900	0.6
87.20090	0.3
88.98804	4.2
89.02443	3.0
91.00343	0.4
98.19884	0.7
101.02447	1.7
103.48727	0.4
113.02433	1.0
122.03762	0.5
125.02468	0.7
137.01379	0.3
137.02467	0.7
149.04521	0.4
152.09984	0.3
153.02039	0.5
154.69553	0.4
161.04547	1.0
162.04813	0.3
187.81834	0.4
190.39467	0.3
311.07788	0.5
317.06644	0.6
331.17825	0.5
347.17126	0.5
435.13092	0.6
478.23810	0.7
479.20660	0.4
479.25052	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	478.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72027	0.5
57.03438	1.3
58.76067	0.4
59.01384	6.4
59.08134	0.4
59.80889	0.5
61.98832	44.5
69.03459	0.8
69.99563	2.4
71.01380	3.8
72.64092	0.4
72.99300	0.5
73.02956	1.0
75.60675	0.4
80.17864	0.5
81.03468	2.7
83.01393	3.6
85.02948	1.2
89.02447	3.3
90.59753	0.5
93.03453	1.4
95.01402	0.7
95.05050	2.2
97.02950	5.8
99.00886	0.9
99.04506	0.6
101.02444	3.1
107.05006	1.0
108.02195	1.0
109.02955	17.9
110.03295	0.8
113.02458	1.3
116.05067	4.9
119.03501	0.6
121.02972	3.1
122.03766	1.3
123.00817	0.6
123.04531	13.7
124.01735	0.6
124.04857	0.7
125.02446	12.8
126.02789	0.7
131.03474	0.5
133.02951	1.1
135.04532	1.5
137.02438	10.0
139.04036	3.3
139.90300	0.5
145.02922	1.3
146.03726	1.4
147.04524	0.7
149.02435	6.1
149.04556	1.3
149.06145	0.5
150.03136	0.6
151.00522	0.4
151.03984	5.6
152.01137	0.7
155.03464	0.5
156.08232	1.2
159.04568	2.3
160.05217	1.0
161.02441	1.9
161.04662	0.7
161.06075	4.8
162.03203	1.5
163.03986	1.4
164.01169	2.6
165.01933	4.1
166.02626	0.5
167.03503	2.1
168.08194	2.0
173.06039	0.8
175.03983	2.3
175.07579	0.9
177.01868	0.6
177.05559	0.7
179.03510	5.6
180.04027	0.5
187.04002	4.1
188.04781	3.5
195.06725	0.5
196.12326	0.5
199.07597	0.7
201.05542	0.8
202.06285	1.8
203.07135	11.6
205.05057	8.2
212.04956	0.6
217.05072	0.4
217.08829	0.8
221.08145	2.3
227.07120	1.7
230.05721	0.7
231.02879	0.7
238.35736	0.5
243.02977	1.4
244.03296	1.1
245.08189	15.3
246.08466	0.7
247.06032	2.7
269.08197	0.6
271.02350	1.3
271.05969	0.9
272.02759	1.5
286.04498	1.1
289.07172	100.0
290.07480	8.5
299.09283	0.7
300.02805	0.6
301.03217	0.8
314.04398	1.2
315.04694	2.4
316.05322	1.7
331.08218	4.4
347.20618	0.7
361.09241	5.6
362.09476	0.6
442.12372	0.6
460.09592	0.7
478.10468	3.5
478.15231	3.5
479.15942	0.9
479.23926	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	477.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55072	10.6
59.01374	41.2
61.77602	11.0
61.93156	10.8
71.01388	26.6
71.11674	26.1
96.95970	18.0
133.79591	11.9
149.06068	41.2
151.41635	11.2
255.23193	60.9
269.24811	54.5
276.63397	14.8
297.24304	16.4
300.99744	17.5
315.24475	12.4
435.34769	26.5
477.10553	18.4
477.26410	24.3
477.36301	100.0
478.36176	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	477.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18595	1.0
59.01383	6.6
61.98829	1.5
68.79942	1.0
71.01379	8.1
71.31833	1.5
71.32171	1.0
73.02968	1.3
78.95905	100.0
83.01383	1.5
89.02437	4.3
96.96967	7.4
101.02450	10.3
113.02437	1.0
119.92130	1.0
130.12328	0.9
130.26846	1.2
152.99590	19.2
171.00635	21.0
181.86992	0.9
203.14456	1.6
231.13947	2.1
255.23315	11.6
256.23587	1.0
269.24817	3.1
297.24432	2.4
404.25488	2.4
433.27197	1.3
450.32974	1.1
477.10904	1.2
477.26627	7.2
478.29385	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.6
61.98827	13.4
71.01385	13.8
85.05247	7.7
95.05039	13.4
107.05023	7.6
109.79076	8.4
113.02428	8.1
118.25799	7.3
123.06693	7.8
137.02405	8.8
151.04063	11.4
214.02562	7.1
228.40399	7.3
255.23268	100.0
269.24817	69.1
297.24390	16.3
330.22052	7.1
428.92191	8.3
433.33041	42.2
434.33923	8.0
477.03430	7.0
477.10657	9.1
477.26291	12.9
477.32040	64.6
478.32458	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	477.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
58.93175	1.1
59.01387	100.0
60.01722	1.2
61.98838	9.6
69.61999	6.7
78.68174	1.1
98.20636	1.1
136.08582	1.4
152.06779	1.0
174.99197	3.4
217.15880	1.2
243.03116	1.5
304.70319	1.1
309.54401	1.1
314.47589	1.0
391.07074	1.0
415.17773	1.2
417.19592	2.7
477.10461	2.0
477.20914	5.8
477.27252	5.6
478.28751	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.0
61.98830	10.8
62.51542	0.7
69.74604	0.6
71.01382	3.2
73.02949	0.9
83.01439	0.7
85.02998	1.5
87.00887	1.0
89.02430	1.3
96.87975	0.6
98.19839	1.6
101.02460	2.4
106.75210	0.7
109.03000	0.8
109.06593	0.6
111.04577	0.7
113.02445	1.5
125.02413	1.0
137.50183	0.6
139.77252	0.6
165.01973	1.0
178.05159	0.6
193.09344	0.6
242.02109	0.9
243.03059	2.8
257.04807	0.7
270.01767	0.9
271.02484	1.8
285.04117	1.5
299.02051	0.8
314.04349	2.6
315.25427	3.7
363.53683	0.7
440.18823	0.7
477.10583	5.6
477.20236	1.9
477.25128	0.9
477.30844	18.5
478.11002	1.0
478.20126	0.7
478.31522	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	477.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97787	0.9
59.01367	4.8
61.98828	3.0
69.60301	4.7
71.01393	0.9
78.95905	100.0
86.82703	1.1
87.71454	0.9
96.96961	9.0
111.34145	0.8
132.07782	0.9
144.95068	0.9
152.99583	19.2
171.00652	19.8
229.12364	1.3
231.13890	10.5
255.23291	0.9
269.24722	1.0
270.56012	0.8
279.23145	2.2
330.85281	0.9
404.25751	1.5
431.83783	0.9
433.27277	1.2
451.36349	0.8
477.10815	1.2
477.26590	6.1
477.32361	1.7
478.29404	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17655	4.7
52.63923	4.9
59.01380	16.1
71.01371	14.5
73.58514	4.5
74.28466	4.5
81.06945	5.4
89.02438	9.3
101.02441	10.7
132.92075	4.9
215.10738	6.0
279.23288	100.0
280.23676	9.6
303.23080	5.7
321.24081	12.2
333.24530	4.7
360.22906	5.0
378.20892	5.2
477.26239	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	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.9
58.00581	3.4
59.01381	100.0
60.01700	2.5
60.67825	1.5
60.99290	2.4
61.98834	48.8
69.03440	2.7
69.75069	6.8
69.75489	3.0
71.00988	2.7
71.01384	54.9
71.05021	2.9
72.99301	5.2
73.02948	18.6
81.03493	2.3
83.01389	10.1
85.02954	26.6
87.00879	31.7
88.00431	3.2
88.98812	14.5
89.02448	36.6
95.01387	4.2
97.02924	3.1
99.00873	5.8
99.04516	3.8
101.02442	55.8
102.02814	1.6
103.04037	9.2
113.02445	17.7
119.03503	10.4
125.02458	10.3
127.04006	1.7
131.03511	3.5
138.03215	1.6
138.90407	1.4
143.03477	6.0
161.04549	19.4
163.06117	16.2
165.09178	1.7
168.02910	2.5
169.03348	4.0
178.16286	1.4
179.05605	3.1
183.10207	2.1
205.07130	5.5
247.08115	2.0
255.19632	4.7
265.56656	1.5
300.02673	2.2
301.03564	4.1
307.10233	2.0
315.14374	1.7
331.17657	5.1
417.24948	49.1
418.25247	6.9
477.14697	4.1
477.23825	17.3
478.23557	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33467	0.5
52.52480	0.5
53.97272	0.5
55.01880	6.5
57.03447	6.4
58.00596	4.4
58.72287	0.6
59.01382	100.0
60.01714	1.5
61.98832	15.1
69.03453	5.1
69.46751	3.5
69.47171	1.2
71.01385	99.0
71.05023	2.2
71.81991	0.5
72.01721	1.7
72.99311	6.0
73.02951	42.7
74.03311	0.6
75.00870	2.2
81.03458	2.3
83.01390	23.7
83.05004	0.6
85.02955	41.2
85.06585	0.9
86.00111	1.2
87.00883	8.4
87.04514	2.6
88.98807	1.1
89.02451	39.6
90.02797	0.7
90.84563	0.5
95.01383	6.6
97.02953	5.0
97.06581	0.7
99.00886	10.3
99.04514	1.9
99.08157	2.1
101.02447	96.1
102.02762	2.4
103.04013	19.7
109.02956	0.7
113.02454	30.3
114.02808	1.0
115.04008	4.4
119.03503	17.0
125.02453	12.6
127.04022	2.0
129.01927	1.1
131.03516	6.6
143.03516	13.4
145.05064	6.3
149.04536	0.7
151.11304	1.7
153.09167	0.9
159.02997	7.1
161.04562	50.4
162.04913	2.0
163.06125	35.6
164.06465	1.2
169.12358	9.7
179.05606	2.1
182.03560	0.5
205.03557	1.2
205.07179	17.2
206.07552	1.0
229.07169	3.1
238.25346	0.5
241.48929	0.6
247.08218	6.3
248.08678	0.6
255.16006	1.0
265.09271	2.0
297.11188	0.6
307.10443	3.3
331.17618	44.7
332.17978	4.8
417.25269	2.9
477.23492	31.0
478.23846	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.4
57.03448	4.6
58.00597	2.0
59.01385	42.5
60.99307	2.8
61.98827	1.8
62.78254	0.6
64.20029	0.6
64.25439	0.6
65.22511	0.7
69.03459	3.0
70.91798	1.1
70.92120	0.9
71.01387	77.2
72.01747	1.5
72.99302	3.4
73.02950	29.7
75.00878	1.7
78.06663	0.6
81.03465	1.7
83.01393	21.3
84.01699	0.8
85.02956	37.1
86.00133	0.7
86.03290	0.9
87.00886	4.2
87.76602	0.7
88.00400	1.2
88.29066	0.6
88.98820	18.0
89.02454	28.5
89.61564	0.7
90.06801	0.5
91.01858	0.6
95.01408	5.5
96.53799	0.6
97.02972	3.5
99.00890	10.3
99.04573	0.7
101.02448	71.8
102.02797	1.7
103.04018	5.3
111.00854	0.8
113.02458	31.3
114.02749	1.0
115.04044	1.1
119.03522	3.9
125.02480	6.1
129.01950	1.8
131.03493	0.8
137.72607	0.7
143.03511	5.8
145.05098	1.9
159.02975	7.6
161.04570	50.2
162.04965	1.9
163.06119	5.4
167.03647	0.8
186.33791	0.8
205.03412	1.1
205.07170	1.4
227.59117	0.7
229.07196	1.9
247.08292	3.2
307.10339	2.0
331.17627	93.6
332.17993	8.4
375.16589	0.9
477.23428	100.0
478.23737	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	477.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.7
56.02182	0.4
57.03448	4.8
58.00589	2.1
59.01378	75.8
60.01709	1.1
61.98827	18.3
69.03463	2.5
69.40510	4.6
71.01383	78.1
72.01720	1.5
72.99293	3.4
73.02947	31.2
75.00868	1.5
77.55606	0.5
81.03443	0.9
83.01389	20.9
85.02948	39.8
86.00085	0.8
86.03313	1.4
87.00868	5.4
88.98804	5.3
89.02448	18.9
95.01382	5.7
95.89078	0.6
97.02955	5.3
99.00880	10.6
101.02442	68.6
102.02796	1.6
103.04012	5.8
104.08556	0.5
111.00853	0.6
113.02453	30.4
114.02760	0.9
115.04011	1.2
118.87384	0.5
119.03480	6.2
125.02451	6.5
127.03962	0.7
129.01938	1.5
131.03455	1.5
143.03488	5.9
145.05051	2.1
147.61266	0.5
159.02963	6.0
161.04556	50.8
162.04976	1.2
163.06122	8.2
167.03545	1.0
169.17067	0.5
179.05417	0.5
205.03513	1.2
205.07169	2.1
229.07161	2.9
247.08179	3.6
254.41747	0.6
270.97601	0.6
307.10349	2.0
313.16757	0.5
331.17603	82.7
332.17932	9.1
375.16299	0.6
417.25171	1.3
456.47043	0.6
477.23404	100.0
478.23703	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	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.1
57.03452	5.9
58.00594	2.6
59.01382	56.3
60.01704	1.4
60.38728	0.4
60.99310	0.7
61.98829	17.7
67.01880	0.9
68.99813	0.8
69.03479	2.6
69.65676	3.5
71.01383	82.8
72.01717	1.2
72.70596	0.5
72.99313	3.2
73.02946	34.4
75.00875	1.5
80.51559	0.6
81.03448	3.6
83.01389	24.4
83.05004	0.7
85.02953	40.8
86.00109	0.8
87.00879	6.1
87.04514	1.3
88.00454	0.6
88.98815	3.8
89.02445	21.5
93.03476	0.6
95.01389	4.5
97.02949	4.5
99.00881	12.5
99.04511	3.1
101.02444	79.8
102.02788	2.0
103.04019	6.7
108.02197	2.5
109.02946	1.8
111.00877	1.3
113.02449	28.4
115.03996	1.3
119.03502	6.5
120.99665	1.2
123.04495	1.9
125.02448	12.9
126.02784	0.6
127.04025	0.9
129.01970	1.0
131.03551	2.6
133.03004	0.6
137.02425	1.0
142.71153	0.5
143.03511	6.3
145.05069	2.9
149.04532	2.1
152.01163	3.1
153.02000	0.6
159.02991	6.6
161.02632	2.8
161.04559	40.7
162.04929	1.4
163.06131	8.8
167.03506	13.8
168.03899	0.5
169.12288	1.2
178.06364	0.8
179.03491	0.7
179.05640	1.2
193.08704	1.1
197.04530	3.4
205.03513	1.8
205.07129	3.4
212.09538	0.9
227.11899	0.8
229.07146	2.2
245.00920	0.6
247.08177	3.5
255.16177	0.5
257.00980	1.0
259.02386	0.7
261.00528	0.7
271.02533	0.8
271.10889	2.2
271.45981	0.6
287.01926	1.0
287.07697	1.1
297.00409	0.8
301.03821	0.6
307.10385	1.9
315.01508	2.3
315.07172	2.8
331.17612	100.0
332.17969	9.1
357.09564	2.5
375.16531	1.7
417.24072	0.9
456.44296	0.5
475.15207	0.6
477.10855	2.2
477.23465	87.0
478.23773	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66482	0.9
58.46053	1.0
59.01382	92.9
60.01717	1.8
61.98832	11.0
64.42021	1.0
69.46697	1.7
69.47115	6.9
71.01389	15.3
72.99316	6.5
73.02933	4.2
75.00871	1.6
83.01394	1.4
85.02959	6.2
87.00887	1.1
89.02444	4.8
94.72553	1.0
99.00898	2.4
101.02450	8.1
103.04055	1.1
113.02457	7.8
119.03511	1.2
121.02958	11.4
125.06135	1.1
132.52411	1.0
133.05061	3.9
134.91507	1.0
135.04515	1.1
143.03416	1.3
147.54692	1.2
159.02979	2.0
161.04564	21.0
163.06055	1.4
166.06360	75.8
167.06702	3.5
181.08704	100.0
182.09035	5.4
195.06747	1.0
225.92377	1.1
235.08284	9.9
293.57458	1.1
329.74811	1.2
417.17612	8.3
477.18802	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75089	1.3
50.91547	1.2
55.01874	3.8
57.03447	2.4
58.00594	1.7
59.01381	65.7
60.01692	1.2
60.99309	14.5
61.98836	22.1
63.56789	1.3
69.03455	2.1
71.00987	2.6
71.01383	52.1
71.62135	2.0
72.99322	3.2
73.02948	22.0
75.00863	2.0
81.03463	1.3
83.01383	11.8
83.50224	1.1
85.02953	23.2
87.00882	6.8
88.00372	2.3
88.98811	100.0
89.02450	50.8
89.43751	1.3
90.02797	1.7
91.00529	1.2
95.01377	3.6
97.02966	1.7
99.00906	6.4
101.02444	49.5
103.04023	7.4
108.02240	1.5
109.54581	1.4
113.02451	16.1
115.03995	2.7
119.03492	7.8
123.00986	1.3
125.02503	3.2
131.03499	4.0
135.13541	1.2
143.03500	5.8
145.05078	2.6
149.04529	1.6
159.02922	2.8
161.04547	22.2
163.06120	17.9
164.06448	1.5
179.05534	2.6
205.07170	9.4
241.07249	2.9
242.08018	2.2
243.08835	1.7
257.00928	3.4
279.12369	1.4
331.17630	33.9
332.17972	4.6
377.14548	6.8
387.11862	2.3
477.06647	3.0
477.15515	3.6
477.23578	40.7
478.23492	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43735	0.4
57.71283	0.3
59.01390	0.4
65.00318	0.4
69.58131	0.4
69.58456	2.7
91.11063	0.5
98.19839	0.5
107.01416	1.2
125.02438	1.1
151.00375	3.8
153.01842	0.4
171.04526	0.7
175.03996	0.6
178.99879	0.7
187.03935	0.6
199.03987	5.5
201.02003	1.7
203.03435	0.7
204.04253	0.8
215.03500	4.4
216.03677	0.5
225.01962	0.5
226.02841	0.8
227.03490	4.1
228.03864	0.5
229.01414	1.0
242.02234	10.9
243.02982	45.7
244.03349	3.4
255.02953	1.1
257.04559	13.9
258.04858	1.2
270.01712	11.4
271.02478	46.8
272.02823	4.5
285.04053	25.7
286.04758	9.5
299.01996	9.3
299.05215	0.3
300.02682	5.9
301.03168	0.6
313.03543	0.7
314.04333	47.1
315.04956	11.6
316.05350	0.6
357.06110	0.9
477.10391	100.0
478.10699	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20476	0.3
51.32358	0.3
56.14333	0.3
57.97606	0.3
59.01373	1.1
61.98808	0.6
62.96383	0.5
66.61972	0.3
69.35770	3.0
72.36991	0.3
78.95904	100.0
96.96962	7.2
98.20651	0.7
101.91489	0.3
104.01050	0.3
140.01178	0.7
151.01538	0.3
152.99586	16.8
153.99962	0.4
171.00633	18.4
172.00885	0.4
172.94421	0.3
214.04842	0.4
254.99315	0.3
279.23297	1.6
402.24170	1.5
476.27811	62.2
477.28091	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55634	0.2
59.01384	1.4
59.35195	0.2
61.98820	0.5
65.51012	0.2
70.31116	0.7
78.95903	9.1
79.72510	0.2
96.96980	0.5
105.47855	0.2
122.00077	0.3
140.01195	1.8
152.99590	1.1
170.53619	0.3
171.00620	0.7
177.34070	0.3
196.03780	1.0
214.04829	2.7
238.67598	0.2
240.20422	0.3
261.22247	0.5
279.23270	100.0
280.23624	10.0
327.08441	0.3
329.05081	0.2
334.77820	0.3
476.27795	10.5
477.27994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.95073	0.3
56.79726	0.3
59.01361	1.1
60.67224	0.3
61.98815	0.6
62.96422	0.5
70.39333	0.7
70.39665	0.7
72.87345	0.3
76.86995	0.4
78.95908	43.8
96.96963	1.8
122.00158	0.9
140.01187	6.2
152.99602	5.5
171.00662	3.7
196.03801	11.6
214.04872	3.2
261.22192	0.4
279.23294	100.0
280.23654	11.0
374.59323	0.4
476.27838	38.1
477.28067	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.2
61.98838	2.2
63.02407	0.5
65.00322	0.4
66.70734	0.2
69.35413	2.0
70.92083	0.2
71.01378	1.5
73.02950	0.6
82.03368	0.2
83.01385	0.6
85.02951	0.5
86.12478	0.2
89.02451	0.7
91.59240	0.2
101.02464	1.2
103.04030	0.2
107.01376	1.1
108.02171	0.3
113.02483	0.4
114.88251	0.2
123.04500	0.2
125.02435	0.9
133.02925	0.3
137.02362	0.2
143.67581	0.2
149.99390	0.3
151.00375	3.6
152.01134	0.3
153.01927	0.3
157.02963	0.4
157.65993	0.2
159.04501	0.2
161.04514	0.4
163.00336	0.3
163.06142	0.4
164.01164	0.4
169.01469	0.5
171.04523	0.7
175.03992	0.4
178.99854	0.9
183.04471	0.5
187.03967	0.5
197.02391	0.3
198.03159	0.2
199.04016	4.3
200.04330	0.4
201.01913	1.7
203.03520	0.6
204.04272	0.4
205.05008	0.4
207.02705	0.3
215.03513	3.8
216.03802	0.3
217.10728	0.2
225.01834	0.3
226.02715	1.1
227.03496	3.7
228.03905	0.3
229.01357	0.7
241.99718	0.5
242.02214	9.5
243.02975	42.6
244.03322	3.3
247.07950	0.3
255.03017	1.0
257.04556	10.4
258.04892	1.3
270.01700	10.8
271.02466	39.7
272.02841	3.9
285.04059	24.5
285.06491	0.5
286.04733	8.0
287.02200	0.3
287.05246	0.6
289.07175	1.0
299.01981	9.3
300.02686	6.9
301.03137	0.5
314.04327	50.8
315.04947	12.9
316.02112	0.5
316.05487	0.8
318.04062	0.3
331.04688	1.3
331.17639	0.6
357.06079	1.4
389.50067	0.2
417.24835	0.4
422.92804	0.2
449.09607	0.2
477.10382	100.0
478.10712	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	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69518	37.7
71.26476	100.0
149.16295	42.5
164.44337	37.3
164.68948	42.5
259.53845	46.2
277.21677	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2469
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
55.71955	8.5
59.01389	100.0
61.98822	9.5
68.02232	7.5
70.16882	35.0
94.96371	9.2
98.19931	10.6
98.56270	8.9
145.38615	10.2
166.72617	9.3
203.54585	10.1
231.13876	25.7
348.72803	11.8
415.17838	14.3
475.25269	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40661	4.7
59.01392	29.9
61.56876	6.0
69.50246	17.2
69.50668	24.7
71.01375	17.7
72.39963	4.5
89.02415	5.7
107.03638	4.7
128.62260	5.0
231.13718	9.2
277.21732	100.0
278.21939	10.9
301.21652	7.6
319.22827	7.0
385.05685	6.3
475.25092	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	475.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	81.6
61.63095	9.0
61.98821	25.0
66.21930	7.5
66.84679	9.0
71.01379	27.0
71.63104	12.4
78.95921	17.1
83.99986	8.9
92.87701	8.8
101.02454	23.6
116.92879	11.2
139.12752	10.6
277.21741	100.0
278.21957	11.9
319.22708	17.6
327.51733	8.7
359.21249	8.4
383.06061	11.5
395.95935	9.2
414.59210	11.3
431.25482	10.2
475.25067	27.4
475.34943	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	475.2701
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
59.01383	100.0
60.01719	1.8
60.99313	0.9
61.83911	0.8
61.98836	2.7
78.95900	5.7
79.05556	1.1
83.05019	0.8
86.21652	0.7
88.04498	0.7
116.07389	0.7
118.58011	0.7
178.69518	0.8
207.13910	2.1
229.53041	0.8
260.97629	0.8
281.58054	0.8
335.23782	7.4
336.24365	0.8
353.24927	1.9
354.25360	0.8
371.26108	2.1
406.00647	0.8
415.24905	20.3
415.30115	1.2
416.25244	4.0
475.26538	5.5
503.23367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03448	0.9
58.68456	0.2
59.01381	14.6
60.01710	0.9
61.98830	10.3
63.13168	0.2
65.99832	0.4
67.59982	0.3
69.03426	0.3
71.01385	8.3
71.61804	0.2
71.62608	0.5
72.99303	0.6
73.02946	2.5
74.50780	0.2
75.00887	0.2
81.03446	0.3
81.34188	0.2
83.01388	1.8
85.02956	3.5
87.00878	1.2
87.04509	0.4
88.00391	0.3
88.98807	1.0
89.02441	4.0
92.62117	0.2
95.01385	0.6
97.02943	0.4
97.06553	0.4
99.00883	1.3
99.04536	0.5
101.02441	6.4
103.04047	0.6
109.02964	0.7
113.02452	2.9
115.03986	0.3
118.24356	0.3
119.03525	1.5
121.03001	0.4
123.04492	0.5
125.02435	1.5
131.03519	0.6
133.02969	0.7
136.01692	0.3
137.02435	2.9
138.03238	6.7
140.70813	0.2
143.03484	0.9
145.02930	0.3
148.05241	0.3
149.04581	0.3
149.43797	0.2
159.02992	0.5
161.02504	1.7
161.04544	3.5
163.06161	1.1
163.11261	0.3
164.11644	0.4
165.01930	0.4
167.02261	1.3
168.03020	100.0
169.03369	3.9
177.01906	0.3
179.05589	0.5
205.07101	0.5
247.08224	0.4
271.02393	0.3
301.03555	0.3
311.09238	0.7
313.03516	0.5
313.12701	0.4
314.04352	2.2
326.11255	0.3
331.17599	3.5
357.06110	3.8
379.88364	0.3
416.23694	0.9
476.14120	16.1
477.10083	1.8
477.14960	1.4
477.23444	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	476.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	2.6
59.01381	48.2
60.01708	2.8
61.98831	100.0
62.35226	1.1
69.97362	4.5
83.05026	1.3
89.02476	1.4
98.19876	2.5
102.09657	1.1
108.17269	1.2
112.96552	1.1
140.93994	1.3
151.04033	1.5
151.94801	1.3
201.20236	1.3
369.90265	1.3
477.10379	2.7
477.20871	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	475.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44110	1.2
51.58770	1.0
55.01873	1.3
57.03452	35.1
57.44976	1.1
58.00874	1.3
59.01387	100.0
61.98521	1.4
61.98839	29.6
69.85178	6.0
71.01392	35.5
72.99311	2.4
73.02951	11.6
75.00878	2.3
78.44596	1.1
81.03457	1.3
83.01402	6.8
85.02959	14.7
87.00878	2.6
87.04510	1.9
89.02456	19.6
91.70216	1.3
93.03475	1.3
95.01368	2.4
97.02962	1.2
98.19876	1.6
99.00892	3.2
99.04529	34.8
101.02452	31.6
101.70545	1.2
104.49448	1.1
113.02459	14.1
117.03397	1.2
119.03515	7.9
121.02992	1.0
125.02463	18.7
138.03061	1.2
143.03510	3.3
145.02896	2.6
159.02988	3.1
161.04585	19.0
163.11273	3.7
165.05447	1.3
167.03506	1.7
179.05598	4.6
179.10742	2.1
180.10953	1.4
181.12367	39.5
182.12643	2.6
225.11327	7.7
249.09669	1.5
253.18152	3.9
267.10785	3.3
313.16547	2.8
327.21609	2.9
331.17618	16.1
332.18042	2.1
354.13306	1.2
373.18539	2.5
373.26022	3.3
388.45715	1.3
415.23386	22.4
416.23730	3.3
475.21771	64.7
476.22302	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52174	0.7
55.01865	2.2
57.03449	51.2
59.01380	100.0
60.01693	1.7
61.98826	9.7
69.45170	1.8
69.45571	6.2
71.01386	21.8
71.49866	0.8
72.01701	1.1
72.99296	1.8
73.02950	5.9
78.51991	0.8
81.03439	1.7
83.01385	2.3
85.02950	8.1
87.00866	1.8
89.02461	7.9
95.01389	2.0
99.00883	3.0
99.04521	40.6
100.04870	1.8
100.14375	1.0
101.02441	20.9
108.22019	0.9
113.02456	8.9
119.03497	3.5
119.04961	1.5
122.64195	0.8
125.02441	16.3
131.03435	0.9
134.03764	1.2
137.02425	1.1
143.03473	1.6
149.02422	2.5
150.03212	4.6
152.04855	0.9
159.02963	1.4
161.04576	10.1
165.05553	4.4
169.12361	2.4
179.05550	1.3
195.06599	2.8
213.74481	0.9
219.02983	1.0
234.05273	1.1
279.08575	1.3
313.16476	1.3
314.17270	0.8
331.13950	1.4
331.17648	17.2
332.18265	1.5
343.17355	1.4
373.18597	2.8
390.75668	0.8
415.23483	9.6
416.23386	1.2
427.13797	2.6
475.13068	2.4
475.21716	5.4
476.22061	1.2
486.93793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	81.1
58.03798	1.5
59.01385	87.1
59.59112	1.1
59.62739	1.0
61.98837	14.3
67.82333	1.2
69.03460	1.8
69.48632	5.0
69.49067	4.8
71.01384	28.2
72.99315	9.1
73.02939	6.5
74.99940	1.2
83.01385	4.1
85.02956	10.5
87.00890	4.9
89.02442	13.1
95.01399	1.5
98.20593	2.7
99.00872	2.5
99.04530	28.8
100.04842	1.3
101.01776	1.6
101.02449	32.4
103.04021	1.8
108.73651	1.2
110.00128	3.8
111.00889	10.2
113.02467	14.1
115.91953	1.2
119.03512	5.9
123.04531	2.0
124.01672	1.4
125.02455	25.2
131.03532	2.8
134.03662	2.3
137.02446	1.8
137.99605	3.4
139.00380	51.0
140.01106	1.8
143.03490	4.5
146.03755	1.4
149.06087	1.6
151.03983	2.7
152.01123	3.7
153.01945	69.5
154.02734	61.9
155.03229	1.8
159.03023	2.1
161.02530	1.4
161.04579	12.0
163.06076	3.9
165.05655	1.3
166.02725	1.5
166.05061	1.3
166.65303	1.2
166.80592	1.1
167.03500	11.5
168.00706	1.8
168.04297	31.7
169.01312	2.4
169.05066	100.0
170.05396	4.7
179.03433	1.9
179.05566	4.9
179.07135	3.0
180.99443	1.1
194.00334	1.3
205.07140	2.3
313.09253	3.2
331.06607	1.9
331.10355	27.9
332.10748	2.2
359.13498	3.2
373.11368	22.8
374.11575	2.1
407.08707	1.3
413.14468	4.1
415.23386	13.8
416.23428	1.3
475.13477	2.5
475.18048	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03431	1.6
58.00582	1.3
59.01381	42.9
61.44522	0.6
61.98518	1.0
61.98829	18.6
71.01386	22.7
71.63019	0.7
72.99303	2.2
73.02938	3.8
73.97602	0.5
74.03610	0.6
75.00852	0.6
83.01398	2.6
83.05012	0.7
85.02961	8.6
87.00861	1.4
89.02446	12.9
95.01378	2.2
97.02930	0.9
99.00879	2.3
100.44533	0.6
101.02443	15.1
102.02765	0.6
102.50013	0.5
104.05053	2.5
106.06620	7.2
108.08195	15.3
113.02445	10.3
118.06551	0.5
119.03503	4.3
123.04513	0.5
125.02382	1.1
127.32633	0.5
131.03426	0.6
134.06123	0.9
137.02435	1.0
143.03508	1.2
148.04051	34.3
149.04382	1.7
152.07175	7.3
159.03023	1.2
160.04039	21.6
161.04765	30.0
162.05646	5.8
164.03513	1.6
166.08751	2.8
167.03456	0.6
175.02719	2.3
179.05585	2.2
181.12367	0.7
192.03061	3.3
193.03789	12.9
240.10326	2.4
242.11844	2.3
251.08138	0.8
253.18031	0.7
267.11334	6.2
269.12943	63.3
270.13254	6.1
295.10861	60.2
296.11203	6.2
311.13934	2.3
313.11935	62.5
313.16064	2.0
314.12280	7.7
355.12994	8.8
356.13394	1.2
415.15298	1.0
415.23376	12.5
416.23602	1.6
455.19833	0.6
475.17139	100.0
476.17477	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.7
58.00581	4.5
59.01380	100.0
61.46804	1.3
61.98827	2.0
64.67000	1.4
69.03447	4.1
69.53061	7.3
69.53493	5.0
70.13519	1.5
71.01385	50.3
72.99306	5.2
73.02950	46.4
76.11998	1.2
80.37643	1.2
83.01391	4.2
85.02953	20.5
86.00090	3.1
87.00877	21.2
87.04529	6.9
89.02451	38.9
95.01340	1.7
97.02915	2.5
99.00854	1.8
101.02445	55.5
103.04012	23.3
104.27559	1.5
113.02451	7.9
115.04007	16.0
119.03490	18.3
124.68006	1.4
125.02454	5.4
127.03999	3.5
131.03506	16.4
134.03741	24.2
135.04547	1.9
143.03502	22.9
144.37138	1.4
145.05070	10.0
147.54617	1.4
149.06085	20.9
161.04576	2.0
163.06120	46.3
179.05695	1.5
205.07169	46.1
230.42833	1.8
265.09177	2.4
284.08765	1.6
305.65991	1.5
329.12473	5.4
415.19641	1.7
475.18250	80.5
476.18729	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01386	40.3
60.99314	12.7
61.98835	19.3
64.90453	1.4
69.03453	1.7
70.44944	4.1
71.01384	23.4
72.99329	8.9
73.02968	2.9
74.38545	1.4
83.01379	2.6
85.02974	4.7
87.00903	5.2
88.00409	3.5
88.98814	100.0
89.02457	48.0
89.99150	1.6
97.02965	1.5
98.20586	1.6
101.02440	11.0
109.02973	2.9
113.02441	5.0
119.03528	5.6
121.02991	2.8
123.04565	1.7
125.02425	3.3
137.02534	1.8
139.00398	1.6
149.02388	2.5
149.04544	2.3
150.03215	2.0
152.07220	1.6
154.02704	1.7
161.04572	4.0
164.04825	2.0
165.05569	3.5
167.03552	2.9
169.05135	1.6
179.07086	3.0
179.10764	2.8
181.08702	2.7
186.05034	1.6
289.07306	6.0
341.22501	1.5
343.13818	1.9
415.23895	1.9
475.08472	2.3
475.18140	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.2
61.98854	0.9
62.74684	0.7
70.33414	0.7
70.82896	1.6
78.95907	100.0
83.99265	0.9
96.96970	5.8
122.00111	1.1
130.09390	0.7
140.01184	5.7
141.40041	1.0
152.99599	13.5
166.02618	0.7
171.00635	13.7
196.03790	11.8
214.04892	3.3
277.21722	95.5
278.22073	9.6
337.21878	0.9
474.26242	65.8
475.26559	8.6
483.04053	0.9
484.64102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	10.9
69.63651	46.9
71.01389	29.9
87.00896	10.5
87.68423	7.1
89.02470	18.0
98.19955	9.1
101.02469	8.3
115.00377	37.5
132.03067	14.4
133.01442	100.0
155.03477	12.9
165.01898	9.0
165.04050	17.1
222.01709	10.2
223.02423	14.9
246.74196	5.9
339.48792	7.6
475.11154	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75571	0.7
55.01878	1.8
57.03453	1.7
58.00596	3.1
59.01382	100.0
60.01716	1.0
60.99312	1.0
61.98832	32.4
62.91449	0.6
63.99259	0.8
69.03098	1.4
69.03461	20.7
69.39111	5.9
71.01386	54.3
71.94224	0.8
72.99316	3.7
73.02952	22.1
75.00822	0.9
76.84233	0.7
76.90581	0.8
79.01889	6.6
81.03459	5.5
83.01394	6.3
83.05020	0.9
85.02959	21.3
87.00886	4.3
87.04534	0.8
88.98809	9.7
89.02450	29.8
91.01912	1.2
95.01379	4.8
97.02954	16.9
99.00896	2.2
101.02446	41.4
103.04015	28.7
104.04338	0.8
107.01393	16.7
107.02116	1.1
107.57891	0.8
108.02178	2.8
109.02957	3.9
113.02444	5.0
115.04043	1.2
119.03505	12.7
121.02982	0.9
123.00898	4.7
125.02451	46.3
125.24841	0.7
126.02834	1.6
127.04000	3.6
131.03519	2.2
135.00885	47.1
136.01225	1.6
137.02425	1.2
143.03514	5.5
145.05096	4.8
151.00444	1.8
152.01192	4.7
153.01939	2.7
159.03029	1.0
161.04556	3.5
163.06129	14.7
164.06448	0.9
166.02759	1.9
167.03494	40.4
168.03937	1.3
179.05757	1.1
179.10725	1.5
187.06067	1.1
205.07176	2.7
219.37724	1.0
229.07121	1.7
247.08182	8.9
307.10306	5.4
341.96896	0.7
395.12973	0.8
415.23584	3.7
443.11990	13.4
444.12366	2.3
475.20731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00558	0.5
54.87084	0.5
59.01380	18.7
59.37444	0.5
61.98841	0.6
65.00330	0.7
66.36299	0.5
69.03477	0.5
69.32841	1.2
69.33247	3.6
71.01377	6.3
71.40588	0.5
73.02946	2.5
78.83012	0.5
83.01398	0.8
85.02943	2.1
87.00879	1.0
89.02436	3.8
91.01891	24.5
92.02199	0.9
94.91915	0.5
95.01380	0.6
97.02940	1.0
99.00844	0.6
101.02460	4.7
102.02723	0.5
103.03991	2.8
107.05029	2.6
108.02175	0.5
109.02929	0.5
113.02431	1.3
119.03505	1.6
123.00933	1.0
124.01669	1.0
125.02444	5.5
135.00888	30.0
136.01204	1.0
138.09906	0.5
138.73656	0.5
143.03426	0.6
145.05069	0.8
149.04501	0.8
149.99579	2.2
161.04457	1.0
163.06120	3.4
167.03490	100.0
168.00656	3.6
168.03793	5.0
172.42972	0.5
196.71132	0.5
307.10291	3.6
313.05753	0.7
415.16098	1.3
415.23352	1.2
475.07852	0.5
475.14575	10.4
475.21146	1.0
476.14993	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	474.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40674	0.5
59.01376	12.5
59.67353	0.5
61.98831	3.0
68.98476	0.5
69.03455	2.4
69.70150	3.3
71.01388	4.2
73.02948	1.4
77.29063	0.5
77.29521	0.5
81.03455	1.1
81.67178	0.5
83.01363	1.4
85.02962	2.1
89.02455	1.7
95.01387	2.1
97.02952	2.3
99.00900	0.7
101.02455	2.7
107.01389	1.5
113.02441	2.1
116.05065	8.9
122.09743	2.2
123.00889	6.2
124.01665	20.2
125.02450	55.4
126.02795	1.9
137.02451	1.4
145.02989	1.2
149.99582	33.8
151.00362	2.9
160.04044	8.1
161.04562	2.4
166.08772	2.2
167.03450	1.3
168.00636	68.9
169.01294	4.8
193.01341	0.7
287.07678	0.8
304.08322	2.6
313.05646	6.0
331.06705	32.5
332.07019	2.1
359.66949	0.6
415.23334	2.6
456.09396	1.5
474.10388	100.0
475.10721	13.2
495.07474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73382	0.3
54.88622	0.3
57.03453	1.0
59.01384	20.6
60.01715	0.5
60.13607	0.3
61.98835	100.0
69.29629	2.6
71.01384	5.0
72.01746	0.3
72.99296	0.5
73.02962	1.1
83.01411	0.8
85.02967	1.8
87.00895	1.3
88.98830	0.4
89.02448	3.0
95.19477	0.3
97.98447	0.2
98.20551	0.6
99.00912	0.5
99.04539	0.9
101.02444	3.1
106.06660	1.0
113.02467	1.9
119.03544	1.3
119.05003	0.5
123.04526	0.4
125.02493	1.1
128.03516	0.3
135.04588	0.5
143.03578	0.3
148.05357	0.8
150.05664	0.6
151.04062	0.4
159.02998	0.4
161.02432	0.4
161.04568	2.6
162.04869	0.4
166.05136	0.6
168.00729	0.3
178.05124	0.6
179.05659	0.7
194.04663	0.5
225.06076	0.4
240.27380	0.3
249.05869	0.3
289.07401	0.4
297.96204	0.3
312.12393	2.5
379.53122	0.3
414.22311	0.7
415.23639	3.0
474.12735	0.7
475.21829	0.5
475.33218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	83.0
69.62325	1.5
70.44152	5.6
87.04547	1.8
87.31010	1.6
99.84196	1.7
107.06049	1.6
113.09718	1.9
146.40768	2.0
157.04922	1.5
159.10309	11.1
160.10596	2.4
173.11797	2.6
201.05432	1.7
331.24811	3.5
332.25189	2.3
397.23611	3.7
415.24860	7.5
473.34695	7.4
474.35260	16.5
475.35873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67716	1.1
61.98839	2.2
70.85580	2.9
72.67683	1.0
79.64195	1.2
83.00500	1.3
121.06594	8.2
128.54761	1.2
133.06615	2.6
149.09729	100.0
150.10112	4.7
163.11298	2.9
196.37871	1.1
205.16035	3.5
297.18719	4.6
311.20169	27.2
311.23514	1.5
312.20609	2.9
323.20175	20.5
324.20636	3.3
457.25385	1.9
473.30676	95.3
474.30969	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90089	0.5
57.03434	0.6
57.52263	0.5
59.01382	16.6
61.98829	3.5
69.03447	2.1
69.62376	3.6
83.05014	1.5
93.03432	0.9
95.05028	24.3
96.05351	1.4
97.06590	66.6
98.06918	2.2
99.04415	0.6
111.08185	1.9
114.10810	0.5
115.07658	10.6
119.08633	0.5
125.09723	1.9
127.11269	1.5
141.05606	1.4
141.09253	1.0
143.07120	0.7
145.02917	0.6
155.10728	0.8
157.12306	1.3
159.06631	31.4
160.06940	1.0
171.10251	0.7
173.11890	0.7
189.73668	0.6
201.11342	0.9
240.01678	0.5
242.13231	0.6
287.22278	0.9
295.22797	1.3
313.23749	6.5
314.24274	1.0
329.23520	0.9
331.20972	1.2
331.24896	20.6
332.25323	2.9
349.57715	0.5
455.30338	3.3
473.31213	100.0
474.31482	14.9
497.66461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51257	0.5
57.03445	1.1
58.00610	0.7
59.01385	27.9
59.19125	0.5
61.98838	3.4
62.02711	0.5
69.81766	1.6
69.82163	0.8
75.00881	0.5
80.50219	0.5
83.05013	0.7
113.09745	3.8
113.20850	0.5
125.09719	1.9
127.11304	5.5
137.09795	0.6
139.11342	0.7
141.09225	4.0
143.10783	1.8
146.98093	0.5
155.10768	2.1
157.08730	0.8
157.12341	3.4
159.10283	38.3
160.10561	1.9
165.09273	0.9
171.10262	2.3
187.13425	1.0
201.11366	1.2
295.22745	1.3
311.22253	1.0
313.23898	8.4
314.24112	1.0
329.23306	3.6
331.24915	51.7
332.25235	4.0
348.52585	0.5
369.24426	0.6
429.26614	0.6
473.34863	100.0
474.35199	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2158
Annotation	Terretonin D
Peak:m/z	Relative Intensity
52.39725	15.9
59.01374	88.8
60.79283	13.7
61.98828	61.3
71.01387	42.7
71.82198	14.1
80.55937	14.5
83.05032	19.7
85.02944	23.3
101.02474	31.3
114.29655	14.4
154.39900	14.8
189.79756	17.7
311.22235	22.0
311.59024	15.5
358.28232	17.8
437.23999	32.0
473.21509	100.0
473.27985	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	88.4
61.98837	96.8
71.01393	61.2
71.62862	23.4
85.02952	21.5
88.68535	14.9
89.02422	22.4
98.34432	14.5
101.02485	36.7
113.02477	23.0
125.48399	13.2
137.02460	15.7
147.37320	14.0
305.19733	16.7
437.23883	42.2
473.21368	100.0
473.27985	23.0
481.70883	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01710	1.4
61.98833	4.4
71.02281	1.6
83.05026	0.7
87.66944	0.6
89.66238	0.7
93.64048	0.6
118.39275	0.7
141.60326	0.6
173.09743	0.7
226.25568	0.7
236.90805	0.8
252.75037	0.8
278.14673	0.7
319.41855	0.6
328.61014	0.6
364.02689	0.7
374.20392	0.6
473.34784	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.03788	2.7
59.01382	72.1
60.01719	1.5
61.98824	2.5
69.44117	11.1
71.01388	40.3
72.99329	2.1
73.02951	13.7
75.05557	1.3
77.28304	1.2
80.10409	1.8
80.91691	1.4
81.03471	2.2
83.01398	3.7
85.02956	11.4
87.00868	2.6
89.02456	26.4
95.01418	2.2
98.19863	1.8
99.04529	72.0
100.04871	2.5
101.02448	45.9
102.02849	2.1
113.02448	21.2
115.03963	1.4
119.03490	10.0
123.04532	4.0
125.02454	36.2
126.02760	1.8
131.03525	3.0
132.02235	1.6
134.03758	19.4
143.03505	4.8
149.04581	3.7
149.06082	19.8
150.06413	1.4
152.04680	1.6
158.29230	1.2
160.01668	4.1
161.04582	7.9
163.04001	3.2
165.05598	4.1
167.07251	2.4
175.04007	5.5
179.05710	1.8
193.05086	5.3
195.41789	1.4
247.05376	1.7
249.05212	5.4
293.08682	1.4
311.11383	38.0
312.11768	2.4
329.12415	23.0
330.12646	1.9
339.10403	1.4
371.13489	6.1
429.11945	7.5
429.17538	1.6
473.10730	2.5
473.16385	14.3
474.16995	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	473.131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72075	0.5
57.03451	45.9
58.03771	0.6
58.79071	0.5
59.01384	26.1
59.56538	0.5
61.98835	22.2
68.49175	0.4
69.03457	12.2
69.57840	3.0
71.01382	7.7
72.99322	0.8
73.02958	2.4
73.42070	0.5
76.73749	0.4
79.01887	5.7
81.03451	2.1
83.01398	1.8
85.02959	4.6
87.00871	1.4
89.02440	4.2
95.01403	2.4
97.02959	6.8
99.00882	0.7
99.04523	35.3
100.04852	0.7
100.30104	0.5
101.02451	13.6
102.02735	0.5
105.94753	0.5
107.01390	17.2
108.02231	0.5
109.02960	0.9
109.06614	0.4
113.02428	3.2
113.87096	0.5
119.03516	2.0
123.00874	2.8
123.04500	0.9
125.02452	42.2
126.02786	1.1
135.00893	68.2
136.01202	2.5
137.02475	0.7
143.03522	1.2
151.00362	2.5
151.03958	0.6
152.01181	0.9
153.01967	0.6
159.03081	0.6
160.04092	4.8
161.04568	5.8
166.02744	10.6
166.05043	6.4
166.21065	0.5
167.03500	100.0
168.03830	4.4
179.05630	1.1
193.05043	1.8
194.04163	0.5
209.04518	1.7
229.83075	0.5
235.08244	2.5
282.01706	1.2
310.01205	4.2
311.01825	0.8
311.07721	11.5
312.08020	0.7
329.08774	6.2
371.09857	1.1
411.12912	0.5
413.21753	4.4
473.07053	3.9
473.13171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98822	1.2
69.51431	2.6
73.02959	0.6
74.16142	0.3
74.84951	0.3
77.36680	0.3
83.01374	0.5
85.02956	0.5
87.77583	0.3
88.49550	0.3
89.02479	0.5
92.48708	0.4
93.03453	0.6
101.02448	1.0
107.01395	1.6
113.02460	0.4
119.03503	0.5
125.02458	1.0
132.02188	1.0
135.00865	1.6
138.56593	0.3
139.28542	0.4
151.00374	2.0
151.03978	0.4
159.04491	0.5
161.02441	0.4
161.04645	0.6
163.00351	1.8
164.01158	0.5
165.09204	2.9
167.05032	0.4
171.04512	0.5
178.99854	0.9
183.04556	1.7
185.02541	0.8
185.06049	0.9
187.03920	0.8
189.05495	0.5
195.04463	0.3
199.03969	0.8
200.04755	0.4
211.04022	2.5
212.04356	0.4
213.05524	0.8
216.67114	0.4
227.03494	55.0
228.03853	4.6
229.05016	3.2
239.03508	1.3
240.04271	0.4
241.05037	0.4
251.16525	0.5
255.02980	90.5
256.03534	10.8
257.04489	2.5
283.02365	0.5
284.03253	100.0
285.03976	49.6
286.04373	3.8
371.06622	0.4
413.08664	1.2
431.09564	0.6
473.10870	67.5
474.11200	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	473.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03434	1.2
59.01381	18.0
61.98831	44.2
62.98518	0.4
63.02395	0.4
65.00340	0.6
67.39371	0.4
69.38464	3.8
71.01383	10.2
72.99331	0.8
73.02944	3.1
83.01398	2.4
85.02961	4.3
87.00862	1.1
87.04536	1.0
89.02451	5.8
92.52574	0.4
93.03453	1.4
93.74737	0.4
95.01419	0.9
97.02953	0.7
97.06572	0.4
99.00894	0.9
101.02445	8.3
105.05570	1.8
107.01395	2.2
109.02953	1.0
111.04515	0.5
113.02446	4.1
117.72510	0.4
119.03487	2.3
119.05009	0.7
121.02938	0.6
125.02433	1.4
132.02194	1.0
133.10295	0.5
135.00890	2.4
135.04503	0.7
135.11810	3.2
137.02477	1.0
143.03476	0.6
143.05054	0.6
145.02931	0.8
151.00368	1.7
157.06644	0.5
159.03041	0.5
159.04498	1.3
161.02493	0.7
161.04584	4.7
161.09694	3.1
163.00381	3.0
164.01120	1.0
167.05069	0.6
169.06544	0.9
171.04506	1.0
179.05615	0.7
179.10776	18.9
180.11063	1.1
183.04491	1.0
185.06067	2.2
187.04016	2.9
188.04243	0.5
189.05537	1.2
195.04422	0.7
196.05305	0.5
197.06047	0.8
199.03992	1.2
201.05510	0.7
201.11281	0.5
204.62366	0.4
211.03972	3.2
213.05556	1.6
223.12413	0.9
227.03493	27.0
228.03874	2.8
229.05037	10.1
239.03374	2.3
240.04236	0.6
241.05077	1.1
255.02983	56.8
256.03448	6.8
257.04556	5.9
267.02979	0.7
267.10864	13.9
268.11322	0.7
283.02493	2.0
284.03256	80.6
285.04019	100.0
286.04352	7.4
371.24390	0.5
385.25568	0.5
413.08521	0.9
413.21783	1.8
473.10852	32.4
473.20297	6.9
473.27539	1.9
474.11005	3.6
474.21204	1.1
479.22681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49736	0.4
59.01379	6.6
60.11792	0.4
61.98832	100.0
65.76732	0.3
69.41113	0.8
69.41520	2.2
71.01387	3.3
72.81787	0.4
73.02960	1.1
80.03741	0.4
83.01402	0.4
85.02966	1.4
89.02441	1.4
90.51659	0.4
99.00887	0.5
101.02441	2.6
105.05577	0.6
109.02967	0.4
113.02483	1.2
119.03515	0.7
121.38930	0.4
135.00874	0.4
135.11867	1.1
151.00539	0.4
151.11226	0.4
156.85715	0.4
161.04579	1.1
161.09682	0.7
163.00468	0.6
179.10774	6.6
185.06052	0.6
187.04077	1.0
188.86684	0.4
199.04010	0.5
211.03999	0.6
213.05569	0.5
225.72371	0.3
227.03474	7.0
229.05057	2.9
255.02960	12.9
256.03732	0.8
257.04767	1.1
267.10883	3.4
283.02536	0.5
284.03256	20.0
285.04028	26.7
310.49292	0.4
413.21423	0.6
429.20895	0.5
473.10843	8.8
473.20428	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	472.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99068	1.2
59.01363	2.0
61.98840	8.3
69.93214	6.6
75.08949	1.2
78.95908	72.9
83.99810	1.2
84.54570	1.5
96.96970	5.5
98.20551	1.6
120.32236	1.3
130.83443	1.3
150.97997	2.6
152.99590	100.0
163.52339	1.4
255.23363	1.7
267.51910	1.4
394.12546	1.4
409.23636	51.3
409.29111	3.2
410.24042	4.0
472.35022	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75966	0.3
59.01388	8.5
61.98809	1.0
63.02393	0.4
65.00314	0.4
69.31747	3.3
72.08220	0.3
75.00916	0.3
83.01382	0.7
85.02962	0.8
89.02463	0.8
93.03456	0.6
101.02464	0.8
107.01377	1.6
113.02459	0.4
117.03493	0.6
132.02213	1.0
135.00882	1.6
151.00365	1.4
156.42627	0.4
159.04503	0.6
161.02423	0.3
161.04555	1.1
163.00352	1.5
165.09177	0.3
167.05098	0.4
171.04500	0.5
183.04480	2.1
185.06041	0.7
187.03993	1.5
189.05675	0.4
195.04588	0.4
199.03973	0.9
200.04694	0.7
211.04033	2.6
227.03510	39.3
228.03897	2.9
229.05049	3.4
233.15445	0.6
239.03557	0.9
241.05028	0.5
251.16547	1.1
255.02992	73.7
256.03485	8.4
257.04520	2.4
265.81589	0.3
267.27576	0.4
269.04575	0.4
283.02481	9.3
284.03262	100.0
285.03995	47.7
286.04416	3.1
289.83508	0.4
413.08749	7.8
414.09256	1.2
473.10889	37.4
474.11209	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	472.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01383	6.3
61.98833	100.0
69.40251	1.1
69.40672	2.1
71.01378	4.1
73.02958	1.4
73.98318	0.3
83.01388	0.6
85.02957	1.5
87.04451	0.3
89.02441	2.0
90.02695	0.4
98.19886	0.6
101.02441	3.1
105.05604	0.4
107.01404	0.7
113.02472	1.3
119.03552	0.7
125.02509	0.8
132.02242	0.6
135.00916	0.6
135.11800	1.6
137.02428	0.4
151.00439	0.6
159.04575	0.4
161.04553	1.8
161.09763	0.8
163.00426	0.9
164.01164	0.4
165.02036	0.3
167.05025	0.4
179.05669	0.4
179.10789	6.9
185.06140	0.8
187.04034	1.0
195.04665	0.4
199.04022	0.6
211.04132	0.7
213.05594	0.7
226.84334	0.4
227.03502	10.3
227.05675	0.7
229.05057	4.2
239.03461	0.6
255.02977	18.9
256.03790	0.7
257.04535	2.2
267.03046	0.6
267.10837	5.1
283.02597	0.7
284.03256	28.1
285.04053	33.6
413.21756	0.4
473.10803	10.5
473.21155	2.4
473.27368	0.6
480.38800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96680	0.5
59.01378	3.2
61.98832	100.0
71.01392	1.0
89.02451	0.8
91.01452	0.6
94.50410	0.5
101.02451	0.5
117.03500	0.8
119.05033	0.8
144.16760	0.5
145.03009	1.0
167.82870	0.5
195.10417	0.6
285.04099	2.3
326.07202	0.6
475.03409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04247	0.5
55.73730	0.6
57.03445	3.1
59.01383	21.1
61.98833	100.0
69.03489	0.7
69.62598	3.7
71.01396	5.0
72.99340	0.7
73.02950	1.4
83.01396	0.9
85.02974	2.2
87.00880	1.1
89.02465	4.3
91.04263	0.6
99.00964	0.5
99.04510	3.5
101.02477	3.8
113.02464	2.1
119.03526	1.4
123.04548	0.8
125.02464	3.8
134.75963	0.6
135.00925	1.9
137.02466	0.6
147.80978	0.6
151.00432	0.7
161.04568	1.6
166.02771	2.2
167.03493	3.6
167.98438	0.7
173.87669	0.5
179.05615	1.6
250.15154	0.6
251.16544	0.7
267.11234	0.6
285.12454	0.9
311.07809	1.7
409.02713	0.6
413.21902	2.2
472.20602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80913	0.8
57.03450	1.6
57.90797	0.7
58.51060	0.7
59.01382	100.0
60.01715	1.2
61.98830	3.3
63.05811	0.7
69.80960	1.8
69.81353	2.6
72.47153	0.8
72.67556	0.8
78.42967	0.8
106.39089	0.9
119.29591	0.8
125.09717	1.7
160.80902	0.8
203.88750	0.9
242.61929	0.8
295.39966	0.8
296.13718	0.9
414.89142	0.9
417.74536	0.8
471.33197	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	471.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70844	1.0
57.03437	6.4
59.01381	33.6
61.98810	3.5
67.38100	1.0
69.70551	7.3
83.05008	3.4
85.02939	1.0
86.34486	1.0
95.05016	1.2
97.06595	9.8
100.66994	1.2
103.25679	1.2
123.08121	4.6
125.09728	66.8
126.10040	4.0
143.10709	1.6
153.66051	1.1
154.72751	1.1
169.08670	1.8
187.09767	32.2
188.10031	1.5
201.11197	1.5
221.19092	19.4
222.19345	2.1
225.02679	1.1
226.43224	1.2
265.18088	12.9
283.16354	1.9
283.19135	16.8
284.19492	2.7
287.22440	1.4
301.20081	4.7
327.21664	2.1
399.94724	1.1
412.84439	1.2
453.28671	4.5
471.29489	100.0
472.29697	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	472.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43245	0.6
51.50188	0.5
53.86278	0.5
54.82181	0.5
59.01381	1.2
61.98836	100.0
66.24791	0.5
70.93877	1.3
76.06814	0.6
79.62019	0.6
79.84743	0.5
93.18569	0.5
94.32034	0.5
118.81455	0.6
122.18848	0.5
154.59975	0.6
193.60606	0.6
273.79547	0.6
326.07266	0.7
326.57462	0.6
420.55127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	30.9
61.98832	100.0
70.63400	3.3
71.01379	17.3
71.68467	1.5
72.99310	2.7
73.02950	9.0
75.00870	1.5
83.01408	3.1
83.68031	1.5
85.02927	7.3
89.01973	1.4
89.02423	7.1
93.03463	24.3
95.01366	2.1
99.00890	1.9
100.81353	1.4
100.93478	1.5
101.02444	78.6
101.06059	2.0
102.02795	1.9
113.02460	6.1
119.03525	3.0
125.02425	2.5
126.04119	1.7
131.03516	1.9
143.03481	2.0
149.04572	2.7
161.04536	5.1
169.06624	5.5
174.81181	1.3
182.90219	1.4
203.09454	1.4
213.05560	31.7
227.07079	4.8
255.06566	7.9
285.04047	1.8
339.18036	16.2
340.18503	2.6
435.22333	2.2
471.21252	9.1
472.22357	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11859	0.6
53.35422	0.5
57.03452	1.5
58.05799	0.6
59.01381	100.0
60.01700	1.0
61.98833	31.6
65.66490	0.6
69.03474	0.8
71.01384	15.9
71.63625	0.8
73.02957	3.2
74.97995	0.6
83.01405	1.9
83.05056	1.3
83.72065	0.6
85.02950	5.2
87.00893	1.0
89.02448	11.0
97.02966	0.8
99.00880	1.4
99.04548	0.8
101.02444	7.1
108.02216	1.0
109.02958	1.0
113.02452	6.4
119.03496	3.9
121.02965	0.6
123.04583	1.1
124.01656	0.8
125.02461	2.7
132.07600	0.6
134.19894	0.7
137.02477	1.7
137.09821	0.8
138.06924	0.7
143.03557	1.5
149.04533	1.0
151.04019	1.0
152.01143	1.0
152.08446	1.6
153.09180	4.0
159.03119	0.9
161.04567	13.6
161.09688	0.9
163.03996	2.9
165.09236	1.1
168.00693	2.5
179.05592	3.9
187.11304	1.4
202.68903	0.6
205.12335	1.2
220.31021	0.6
221.54971	0.7
222.44995	0.6
231.13861	3.3
249.14912	7.1
250.15428	0.9
261.50952	0.6
278.35980	0.7
291.12448	0.8
341.70984	0.7
411.20322	3.4
426.15247	0.7
435.12994	0.6
442.72174	0.7
471.10834	3.5
471.18710	1.8
471.22037	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	471.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37969	0.3
57.03448	0.4
59.01386	100.0
60.01719	1.1
61.98834	1.1
70.82362	1.0
81.87934	0.4
125.09776	0.4
125.79629	0.3
157.08681	0.4
191.79951	0.4
307.48572	0.4
323.46854	0.3
335.37637	0.4
372.55075	0.4
379.18301	0.4
404.76114	0.4
411.21991	0.5
467.95593	0.4
471.28769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48550	0.4
53.30499	0.5
56.61456	0.4
57.03452	0.5
59.01381	4.1
61.98834	100.0
63.99254	3.4
66.09686	0.5
71.01390	3.7
72.99310	0.5
73.02953	0.7
73.41142	0.4
75.00874	0.4
78.95911	2.3
85.02960	1.0
87.00884	1.1
89.02460	1.7
95.01373	0.5
99.00875	0.6
101.02462	2.2
105.97104	0.4
108.02208	1.0
109.02979	1.1
113.02477	1.3
119.03541	0.7
123.04565	0.6
125.02433	2.2
137.02448	0.6
138.02031	1.4
139.03952	0.5
152.01236	0.8
153.02013	1.0
163.06187	0.4
165.01944	1.0
177.01979	0.5
309.17355	0.8
393.15210	0.5
410.23468	0.6
411.18863	0.8
435.18811	0.5
458.02618	0.5
470.13199	0.5
470.19058	2.1
471.11060	1.2
471.20953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61528	0.9
57.03431	1.4
58.00597	2.0
59.01385	42.7
60.01697	1.6
61.98819	1.9
68.48959	0.8
69.50581	5.3
70.02977	1.0
71.01387	24.1
72.99298	2.4
73.02932	1.1
82.95419	1.8
83.01364	1.9
85.02944	5.9
87.00872	0.9
89.02448	19.0
93.51012	1.0
95.01362	1.6
101.02455	12.3
109.02972	1.1
112.93449	0.8
113.02454	7.4
119.03484	4.2
125.02453	2.3
149.99614	0.9
151.02321	1.5
163.02191	1.1
164.03526	1.0
165.02591	1.6
168.00586	1.1
176.01756	22.2
177.02008	1.6
179.05621	1.4
185.07225	1.8
189.02583	4.5
190.03329	10.0
192.04893	22.9
193.05183	1.2
204.04903	18.0
205.05176	2.4
218.02757	4.3
219.03702	4.8
219.05777	1.1
220.04416	9.6
226.72012	0.9
247.05467	91.0
248.05768	7.0
265.06552	1.2
273.03317	1.9
291.04498	2.7
310.06073	3.0
384.11240	1.6
400.10785	2.6
427.11801	100.0
428.12076	12.3
453.09827	4.7
471.10831	39.6
472.11032	4.8
489.15207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27895	0.3
51.43797	0.4
55.57053	0.4
58.76056	0.3
59.01376	2.6
61.98835	100.0
69.58890	1.8
69.59301	0.6
71.01398	1.2
72.56303	0.4
85.02963	0.7
89.02460	1.0
91.82092	0.4
98.19872	0.7
101.02462	1.0
111.46711	0.3
113.02473	0.7
119.03469	0.4
125.02501	1.9
137.02515	0.4
149.99654	0.8
150.99979	0.3
167.94431	0.3
168.00685	1.3
169.01093	0.7
172.65350	0.4
176.01729	0.4
201.27950	0.4
204.04866	0.9
247.05528	2.4
268.90857	0.4
303.50031	0.4
409.19553	0.5
410.20154	0.8
427.11752	3.3
460.70044	0.4
464.27762	0.5
470.10797	1.6
471.10526	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	470.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01379	2.7
61.98835	100.0
69.45716	2.7
71.01395	1.3
79.80933	0.4
83.01397	0.5
85.02957	1.1
89.02476	0.8
100.22397	0.4
101.02459	1.0
102.12186	0.4
113.02509	0.5
118.85267	0.5
119.05079	0.5
139.61966	0.4
160.31166	0.4
165.09239	0.9
241.13832	0.4
271.06265	1.3
272.06686	1.1
428.49683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55055	0.3
59.01379	2.6
61.98833	100.0
63.99250	0.8
69.38022	0.3
69.67116	2.3
71.01389	2.4
72.99339	0.4
73.02959	0.9
78.95914	2.8
85.02972	1.0
87.00888	0.4
88.98807	0.7
89.02477	1.1
98.19908	0.7
101.02444	2.1
108.02147	0.4
109.19270	0.3
113.02480	0.9
119.03484	0.5
124.01612	0.3
125.02477	0.7
137.02480	0.5
138.02008	0.9
153.01993	0.5
161.04613	1.1
162.05641	0.5
165.01901	0.5
186.95338	0.4
195.06662	0.6
196.06941	0.8
249.13544	1.1
270.11438	0.6
279.14420	0.4
295.87051	0.4
378.01273	0.4
393.26401	0.4
411.18814	3.0
430.23441	0.5
430.30859	0.3
470.19153	0.4
471.11322	0.4
471.20038	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	469.3532
Annotation	oscr#37
Peak:m/z	Relative Intensity
59.01376	2.7
70.85568	2.1
70.85915	2.3
72.99315	21.5
96.95990	3.4
97.19478	1.2
98.00084	2.2
111.69635	1.3
120.65672	1.4
267.74597	1.4
304.86703	1.7
363.36295	46.2
364.36688	8.7
379.35846	4.8
407.35303	46.1
408.35599	6.7
425.36328	32.1
426.36661	5.2
431.91556	1.4
451.27634	1.6
451.29178	1.0
451.34244	60.5
452.34631	9.7
469.35303	100.0
470.35651	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	470.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28097	0.4
59.01386	5.1
60.03244	0.5
61.98836	100.0
67.23958	0.4
69.42261	1.9
69.42685	2.0
71.01395	3.6
73.02966	1.4
83.01414	0.7
85.02959	1.2
89.02472	1.6
99.00879	0.5
101.02458	3.0
113.02438	1.2
125.02448	1.1
154.63783	0.5
161.04541	1.1
177.09261	1.6
225.64400	0.4
248.45181	0.5
249.14989	0.7
292.18896	0.5
325.16602	0.8
354.00528	0.6
470.18726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39673	0.5
59.01382	6.0
61.98832	100.0
71.01378	1.6
71.63802	0.6
73.02929	0.8
85.02967	0.7
89.02487	1.4
95.01422	0.7
96.43302	0.5
99.04495	0.5
101.02483	0.9
108.02178	1.9
109.02971	0.7
113.02496	1.3
119.05045	0.5
124.01669	1.3
125.02463	3.1
131.87059	0.5
133.97475	0.5
137.02486	0.8
149.99620	1.9
152.01151	0.9
152.27109	0.5
168.00710	2.9
190.38118	0.5
213.39964	0.6
259.91620	0.5
293.89859	0.5
302.49686	0.5
432.30023	0.6
471.14667	4.5
471.26102	1.1
479.65427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
57.03449	3.1
58.00605	2.5
59.01389	50.7
61.98837	27.0
62.40240	1.6
64.78511	1.5
71.01389	30.6
72.99323	1.7
73.02952	14.4
83.01406	11.1
85.02955	15.7
87.00878	2.7
89.02456	7.5
97.02903	1.8
99.00907	8.0
101.02458	40.6
107.51176	1.6
108.02151	2.4
109.02986	2.7
113.01888	1.3
113.02481	13.1
119.03509	2.2
125.02444	2.3
143.73524	1.6
152.01114	3.9
159.03056	2.0
161.04562	12.8
237.00958	1.4
248.52965	1.4
263.15021	67.8
264.15326	4.5
301.67322	1.7
308.32755	1.6
409.20801	100.0
410.21121	12.7
425.72955	1.5
433.07474	2.4
470.16721	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	469.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.7
57.03425	3.8
59.01377	84.5
61.98840	20.3
69.82519	11.5
71.01385	50.2
72.99306	3.8
73.02951	17.6
75.06970	1.9
83.01384	9.5
85.02954	25.4
87.00874	3.9
89.02445	18.0
90.54979	2.1
96.95959	2.3
97.02972	2.2
99.00874	4.8
101.02441	51.0
111.00855	3.9
113.02448	19.4
119.03476	2.8
125.02425	3.4
131.03510	39.4
143.03525	3.0
149.04553	4.0
160.10130	2.1
161.04507	12.8
215.05350	2.0
277.16544	100.0
278.16998	9.8
403.88229	1.8
409.20795	93.6
410.20935	7.6
454.76779	2.0
482.66437	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	469.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03437	2.6
59.01386	90.5
61.98832	19.4
62.16222	2.2
62.27159	1.6
69.42959	14.2
71.01392	43.8
72.99314	3.5
73.02953	18.5
73.82361	1.5
75.00850	2.2
83.01391	11.1
85.02962	24.4
87.00895	3.9
89.02444	19.1
95.01395	3.2
96.96028	2.3
97.02985	2.1
99.00880	7.0
100.81101	1.6
101.02456	61.2
104.48377	1.7
111.00882	2.3
113.02470	17.8
119.03579	1.7
125.02428	3.3
129.01987	2.3
129.86621	1.6
131.03513	34.5
136.23129	1.8
143.03516	2.6
149.04578	3.2
152.86185	1.9
159.03021	3.9
161.02423	3.1
161.04549	11.0
175.55246	1.8
277.16580	98.0
278.16937	7.6
409.20822	100.0
410.20947	11.7
469.20428	3.8
469.58865	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.9
57.03436	5.8
58.00594	2.4
59.01091	3.8
59.01381	67.7
61.98839	22.8
62.21524	1.9
69.03471	2.6
69.89341	6.2
69.89733	4.0
71.01385	61.6
72.99309	2.7
73.02944	26.6
75.00872	1.9
77.73080	1.9
83.01389	13.4
85.02950	23.5
86.00099	8.2
87.00871	20.8
87.04519	3.5
87.55724	2.0
87.77236	2.0
89.02444	26.1
90.10223	2.1
95.01348	2.4
97.02968	4.6
98.19864	3.8
99.00890	5.8
101.02447	54.6
101.06116	2.5
103.04025	6.8
107.65430	2.0
110.02448	2.8
113.02451	21.9
115.04018	2.6
119.03509	9.1
125.02445	15.8
131.03482	4.0
137.02464	5.1
143.03545	4.2
149.04541	5.8
159.02962	4.9
161.04564	20.5
163.06094	16.9
165.01918	4.5
173.08192	28.5
195.06586	7.3
229.06998	2.3
236.37161	2.1
247.08197	3.5
263.11346	30.9
277.12906	17.0
284.15637	2.1
308.54718	2.4
323.63638	2.4
409.17169	100.0
410.17453	8.6
429.65207	2.5
469.17838	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	469.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.9
59.01381	100.0
60.01715	1.8
68.40520	0.6
69.53645	4.1
71.01382	13.3
72.99310	0.7
85.02966	1.6
87.00887	0.8
89.02447	22.5
89.02990	1.2
95.01398	0.7
98.20637	1.1
99.19186	0.6
101.02451	6.5
113.02460	6.4
119.03490	8.8
131.03525	1.9
133.72226	0.6
143.03534	1.9
149.04567	1.3
161.04584	1.7
172.76736	0.6
179.05586	6.9
287.28119	0.6
287.39594	0.7
461.02292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27621	0.3
51.41394	0.3
51.55019	0.3
58.00599	0.8
59.01380	100.0
60.01723	1.2
61.98835	1.1
69.51554	2.2
71.01382	14.2
72.99302	1.3
73.02929	0.4
75.00858	0.3
82.36095	0.3
83.01412	0.3
85.02962	2.0
87.00883	1.0
87.90488	0.2
89.02447	22.6
95.01395	0.7
101.02446	7.4
102.02766	0.3
113.02456	6.4
114.02841	0.3
118.94958	0.3
119.03502	8.0
125.02489	0.3
131.03508	1.0
143.03523	1.8
149.04588	0.9
161.04608	1.8
179.05608	7.3
231.12798	0.3
247.13377	0.4
323.67932	0.3
372.17572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.98833	100.0
62.98549	0.3
69.25489	0.3
69.64890	2.5
71.01399	1.9
81.88615	0.4
85.02977	1.1
87.00907	0.4
89.02454	1.1
90.23229	0.3
101.02497	1.3
101.92489	0.3
113.02467	0.6
119.03532	0.5
125.02437	0.9
153.09264	0.3
156.78615	0.3
161.04596	0.9
165.01941	3.6
168.00740	0.4
179.03523	0.8
180.04327	2.7
188.71185	0.3
195.04982	0.7
195.06621	5.5
204.21268	0.4
225.07681	2.0
337.18710	0.4
407.23126	0.7
408.23187	1.8
409.17740	0.5
421.15158	0.7
463.62799	0.4
469.18594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01271	0.2
57.03451	0.4
59.01372	1.8
60.01705	0.2
61.98829	100.0
69.03454	0.4
69.58144	1.5
71.01384	0.6
73.02957	0.3
78.91914	0.6
81.86137	0.3
85.02956	0.4
89.02458	0.5
98.74965	0.2
101.02433	0.6
119.03483	0.3
119.93308	0.2
125.02473	0.8
137.02475	0.8
138.19981	0.2
161.02583	0.2
168.00642	0.3
187.85953	0.2
204.99690	0.9
220.01981	1.2
235.04367	1.4
246.11320	0.5
451.17120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25069	0.4
59.01389	0.7
61.60365	0.3
61.98833	100.0
64.57208	0.4
66.92223	0.4
68.88481	0.3
70.34272	1.6
85.24611	0.3
87.94374	0.4
106.56709	0.4
131.80310	0.4
183.87759	0.4
195.06703	0.5
200.92181	0.4
214.60312	0.5
260.41315	0.5
376.96616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
61.98830	100.0
62.05161	0.5
69.72983	2.7
71.01385	2.0
85.02953	0.6
89.02454	1.6
92.63789	0.5
92.80133	0.5
101.02484	1.5
113.02460	0.6
125.02455	1.3
173.08052	0.5
263.11334	0.6
277.12994	0.6
308.85608	0.5
310.13727	0.4
409.17279	2.0
415.05453	0.5
468.12476	0.8
468.19717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
57.61108	0.3
59.01373	1.8
61.98833	100.0
63.99252	0.3
69.68798	0.4
69.69196	1.5
71.01393	1.2
73.02956	0.7
87.00885	0.4
89.02454	1.4
98.19856	0.4
101.02449	0.8
102.74176	0.3
108.02232	0.4
113.02467	0.4
125.02473	0.7
137.02461	1.2
138.01978	1.8
138.05658	0.5
161.04605	0.4
162.05614	3.9
163.03905	0.3
163.06070	0.4
165.01947	1.5
168.00699	0.4
180.04305	1.0
195.06654	1.7
225.07715	0.8
262.10880	0.7
270.11349	3.5
271.48203	0.3
408.23138	0.7
432.16174	1.4
469.10196	0.7
469.18506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	58.9
58.03791	1.1
59.01382	16.1
61.98840	10.4
70.82665	1.9
71.01386	9.4
73.02945	2.0
75.00871	0.6
81.03461	1.3
83.01398	2.1
85.02959	3.3
87.00883	0.7
89.02458	2.7
89.82244	0.7
90.95917	0.7
95.01423	0.8
99.00915	1.1
99.04527	41.3
100.04854	1.2
101.02448	15.8
109.02926	0.8
113.02448	3.8
116.05043	0.9
118.89434	0.6
119.03516	0.9
119.05036	2.5
121.02948	0.9
122.03696	0.9
123.04546	1.0
125.02456	20.9
126.02798	0.9
131.03561	0.8
137.02496	1.7
139.04103	0.7
143.03568	1.1
147.04536	1.4
148.05313	100.0
149.05647	5.9
151.04128	1.0
159.03044	1.0
160.03996	0.9
161.04561	6.2
161.09650	0.8
163.07658	87.0
164.08011	5.6
165.01927	1.4
167.03465	1.6
175.07611	1.1
179.10826	1.5
181.08659	0.6
183.16522	0.7
207.69971	0.7
271.13388	0.8
304.08371	0.7
305.08722	0.9
307.15387	0.6
451.17606	2.9
469.18658	2.5
469.28467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03437	1.6
58.00588	1.4
58.79386	1.0
59.01381	50.9
60.94874	0.9
61.98835	10.3
69.03438	2.3
69.64340	6.1
69.64746	2.4
71.01385	28.0
72.99299	3.7
73.02946	30.6
75.00858	1.0
76.05022	1.1
78.95891	3.3
83.01387	2.8
85.02947	11.7
86.00064	2.2
87.00877	15.5
87.04502	7.5
89.02444	12.5
89.94399	1.2
95.01395	0.9
98.20586	2.3
99.00865	1.4
99.04502	1.3
101.02444	29.0
101.06087	1.9
103.04013	12.6
108.02113	1.1
109.02945	1.0
113.02398	3.3
113.74922	1.0
115.04000	9.5
119.03470	4.6
125.02469	5.3
128.86716	1.0
131.03511	16.7
137.02414	6.9
143.03499	19.4
144.03796	1.1
145.05042	4.6
159.02911	1.3
161.04506	1.8
161.08249	1.5
163.06123	23.0
165.00516	2.3
165.01927	44.9
166.02254	1.6
168.00603	1.2
179.03543	5.7
180.04292	27.7
195.06612	48.6
196.06929	4.1
204.99547	2.1
205.07150	22.9
210.05376	5.4
215.24261	1.2
220.01965	1.5
225.07684	23.9
226.07988	2.8
235.04242	2.4
264.39313	1.2
265.09055	1.6
289.07083	2.1
469.19110	100.0
470.19489	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	468.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08590	0.3
57.28832	0.3
59.01360	0.7
61.98830	100.0
69.58180	0.6
69.58587	1.5
71.01392	0.5
75.00871	1.8
98.19811	0.5
101.02455	0.4
108.02184	0.7
109.02984	0.5
113.61952	0.3
125.02464	0.3
152.01204	0.7
153.01990	0.3
177.89438	0.2
210.16803	0.3
254.96133	0.3
390.36655	0.3
408.19629	0.4
455.53751	0.3
469.13773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01385	8.8
61.98833	100.0
69.61230	1.3
69.61650	1.6
71.01388	5.4
73.02938	2.4
75.00874	0.4
78.91898	0.5
83.01402	1.7
85.02959	2.9
87.00923	0.5
89.02471	1.4
93.03519	0.4
93.12132	0.4
95.01410	0.5
97.02965	0.5
98.20695	0.4
99.00893	1.4
101.02437	5.6
101.02978	0.5
103.04064	0.4
108.02193	0.6
109.02984	1.4
113.02465	2.4
119.03545	0.5
123.00853	0.4
124.01714	0.4
125.02480	1.4
131.35915	0.4
134.03687	0.5
137.02504	0.5
144.32127	0.4
153.01944	0.6
160.43845	0.4
161.02457	0.4
161.04518	2.4
168.00803	0.5
256.74286	0.4
263.14996	7.4
266.34671	0.4
271.09818	2.1
332.07199	0.6
409.20795	11.9
468.09277	1.2
468.29324	0.7
469.15433	0.5
469.22922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01379	7.1
61.98834	100.0
63.99260	0.5
67.37428	0.3
69.30427	1.9
69.30847	1.2
71.01379	2.2
73.02951	0.7
78.95924	1.0
80.22490	0.3
83.01416	0.4
85.02964	0.7
87.00887	0.5
89.02466	1.5
95.01423	0.5
99.00908	1.0
99.04538	0.4
101.02464	1.5
109.02998	0.5
112.04047	0.3
113.02460	0.9
116.05097	1.3
121.03024	0.4
125.02468	1.5
137.02489	0.5
139.15915	0.4
154.44835	0.3
161.02454	0.6
161.04578	0.8
163.03922	0.4
165.01993	0.5
166.05119	0.7
168.00737	0.7
188.07236	0.5
204.06770	1.1
231.08983	4.2
246.11365	5.9
247.11667	0.7
327.05280	0.5
424.15808	0.4
438.13174	0.5
450.13184	0.5
468.15167	0.7
469.18997	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	468.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98835	100.0
69.28326	1.5
69.28750	2.0
74.67841	0.3
83.49593	0.4
89.02490	0.5
259.02490	0.5
469.07611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42293	0.3
59.01376	2.3
61.98829	100.0
66.98374	0.3
71.01380	2.5
71.39773	0.5
73.02961	1.0
75.00873	0.4
78.91881	1.0
80.66829	0.3
80.91670	2.7
83.01389	0.8
85.02975	1.1
89.02459	1.2
91.63847	0.3
94.51674	0.3
99.00981	0.3
101.02447	2.4
108.02177	0.4
110.02479	1.8
112.01395	0.4
113.02483	1.0
117.91699	0.3
123.04540	1.3
125.02480	0.9
131.03635	0.3
147.41109	0.3
149.04517	0.3
151.03996	2.9
152.01036	0.4
153.02090	0.4
161.04558	0.6
173.07237	0.6
177.02055	0.3
181.16525	0.3
196.92337	0.3
252.99641	0.3
282.27606	0.3
306.04160	0.5
307.17603	0.9
332.07739	0.3
468.11316	4.2
468.17581	0.3
469.12177	0.5
469.17908	0.4
469.23090	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	467.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44624	2.5
61.98359	2.4
67.35126	2.4
75.85152	2.6
76.90931	2.6
84.51558	2.1
98.20632	6.1
133.15868	2.8
145.91975	2.6
154.85168	2.4
160.84224	2.8
162.83856	5.9
305.24792	11.4
361.34760	13.3
379.35815	100.0
380.36276	12.0
405.33447	8.2
423.34769	75.4
424.34995	9.8
467.33551	30.0
468.08673	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	468.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01382	9.0
61.40424	0.3
61.98833	100.0
69.56516	0.4
70.37939	0.7
71.01398	2.8
72.99320	0.8
73.02959	0.7
75.00893	0.5
78.95924	0.5
80.35798	0.3
83.01441	0.4
85.02966	1.0
87.00878	0.8
87.75005	0.4
89.02462	1.7
92.78969	0.4
99.00893	0.5
101.02452	2.2
109.02955	0.5
111.00912	0.4
113.02478	1.5
125.02453	4.3
125.94079	0.4
126.02821	1.3
137.02484	1.6
139.03973	0.5
140.07065	0.4
144.04550	11.2
145.04918	0.4
161.02443	0.6
161.04602	1.5
162.02823	0.5
163.00479	0.4
165.01978	0.9
165.07668	0.3
167.03482	0.9
177.04630	0.4
184.29927	0.4
184.45563	0.4
195.06750	0.5
208.23396	0.4
245.04776	0.4
289.90988	0.4
305.06812	0.7
306.07101	1.8
306.10306	0.7
330.09424	0.4
356.50430	0.4
409.17465	0.8
468.12714	2.0
469.13889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	1.5
58.00596	2.0
59.01384	100.0
61.98834	26.4
69.04135	1.2
69.52666	10.9
71.01387	38.5
72.99326	3.6
73.02935	2.5
74.99091	2.2
83.01400	1.7
85.02961	5.6
87.00907	2.5
89.02454	50.5
93.47994	1.3
95.01409	1.6
101.02452	16.5
109.02911	1.4
113.02468	12.3
119.03511	20.8
123.04527	2.1
125.02463	1.8
131.03499	2.8
136.99138	2.6
137.02420	1.6
138.05586	2.7
143.03503	4.8
145.02971	1.3
149.04530	1.7
155.30075	1.5
159.79855	1.2
161.02483	2.1
161.04547	6.3
165.95851	1.5
179.05650	17.4
189.07378	1.3
227.10724	2.5
229.16196	1.4
334.18472	1.5
444.83459	1.7
467.26505	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	467.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
58.00594	1.2
59.01384	50.8
60.82058	0.9
61.98832	100.0
63.99259	2.4
69.58797	1.4
69.59216	3.9
71.01385	23.1
72.99321	1.8
73.02958	2.1
75.00880	1.4
78.95914	4.3
83.01376	2.1
85.02962	4.6
87.00874	2.5
89.02448	27.8
95.01399	2.5
98.19904	1.7
101.02444	16.1
102.61753	0.9
111.00843	1.1
113.02454	10.4
119.03500	10.3
125.02423	3.2
131.03537	1.5
137.02457	2.5
138.01961	2.2
141.09212	1.8
143.03479	1.7
145.05038	1.4
149.04547	1.1
154.30852	0.8
155.77330	0.8
161.04578	3.1
162.05583	0.8
163.06232	1.0
165.01898	1.2
179.05620	5.4
188.28467	0.9
245.17581	4.9
407.22849	57.7
408.23053	6.5
467.21701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28449	0.2
56.69091	0.3
61.98830	100.0
62.98556	0.2
67.60531	0.3
69.64678	1.6
80.66509	0.3
89.35292	0.3
115.81921	0.2
171.26488	0.3
258.48416	0.3
428.18118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	41.3
58.00583	1.5
58.03777	1.0
59.01095	1.6
59.01381	26.5
59.89406	0.9
61.98833	56.4
63.52660	0.9
65.83420	1.0
69.56165	7.4
69.56575	1.1
71.01385	12.9
73.02935	3.9
75.00868	2.2
81.03416	1.2
83.01395	2.0
85.02953	1.5
85.36303	1.0
89.02436	7.3
89.94827	0.9
97.02975	1.9
99.04514	20.6
100.58172	0.9
101.01852	1.5
101.02450	14.8
109.02969	2.5
110.07526	1.0
113.02439	2.1
119.03500	1.3
121.02869	1.0
125.02438	7.0
125.23685	1.1
130.39510	1.1
145.07700	4.8
160.06421	13.0
161.04550	15.1
161.07207	46.9
162.07526	2.0
168.58154	1.0
175.08751	32.1
176.09009	1.7
185.10818	2.4
186.07921	1.0
187.08766	5.6
188.72421	1.1
189.06689	82.7
190.07014	2.3
201.10278	7.7
203.06468	2.1
203.08269	36.8
203.11880	9.3
204.08580	2.3
217.09723	1.3
229.07629	1.6
229.09816	20.4
237.08821	1.1
277.11874	3.2
295.12955	1.1
304.03946	1.9
305.11398	68.7
306.11768	7.1
315.37119	1.1
321.19141	3.3
323.12476	100.0
324.12781	10.3
365.13605	13.7
405.16693	1.4
467.09741	4.6
467.16116	2.3
467.22995	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	466.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.0
57.03451	100.0
57.70537	0.9
58.00586	2.1
58.03796	2.3
59.01381	73.9
60.01705	2.5
61.98832	23.7
63.99235	0.8
69.51681	5.7
69.52092	1.4
71.01385	38.7
72.01738	1.0
72.99306	1.6
73.02950	14.5
81.03435	1.3
83.01379	6.2
85.02951	11.1
87.00867	2.1
87.04494	1.8
89.02442	32.3
90.02783	0.8
93.03465	1.0
95.01377	2.5
97.06593	0.9
99.00871	1.4
99.04520	55.7
100.04890	2.3
101.02446	48.0
102.02795	2.1
108.02195	0.9
109.02979	1.2
113.02453	23.2
114.02786	1.1
119.03497	13.4
119.04986	1.6
123.04488	1.9
125.02445	27.8
131.03499	1.6
137.02463	1.6
142.06630	4.1
143.03493	4.5
149.02420	0.9
149.04558	1.1
160.07690	3.6
161.02475	1.6
161.04581	5.3
163.03957	1.8
174.14922	0.8
179.05641	2.6
211.15721	0.7
235.30609	0.8
274.10751	0.9
304.11887	28.3
304.15317	1.7
305.12268	3.3
306.21274	0.9
322.12946	69.5
323.13278	7.0
335.20795	1.2
364.14001	18.9
364.18204	1.5
365.14398	2.6
404.17099	6.2
431.78726	0.9
465.27075	2.6
466.10956	1.6
466.17337	7.3
466.27420	28.5
467.18878	1.5
467.27414	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	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
60.54371	0.3
61.32434	0.4
61.98831	100.0
66.52496	0.3
71.01380	0.6
72.34775	0.3
72.84281	0.3
89.02470	0.5
101.02405	0.5
116.52731	0.3
142.18974	0.3
147.12428	0.3
229.55081	0.4
229.57280	0.4
280.68106	0.4
357.11642	0.4
387.89447	0.4
406.21777	0.4
407.22385	0.4
479.45416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
57.03461	4.7
58.00585	1.7
59.01381	33.9
61.98839	4.7
64.49618	0.7
69.03454	1.5
71.01383	60.7
71.64133	0.9
72.01707	0.9
72.99316	3.8
73.02948	21.2
75.00869	1.5
75.56867	0.6
78.95898	4.4
79.28887	0.7
81.03458	0.8
83.01387	12.8
85.02956	32.7
86.00112	1.6
86.03291	0.9
87.00887	2.6
89.02444	14.1
93.03456	0.8
95.01400	4.1
97.02948	2.4
99.00887	9.8
99.04531	0.7
101.02444	52.3
102.02792	1.4
111.00874	2.8
113.02448	22.8
115.92062	0.7
117.03435	0.8
119.03485	1.5
119.05019	3.3
121.02967	3.5
123.04543	1.0
125.02425	5.2
129.01930	2.0
131.03499	9.8
135.08084	0.8
137.02475	1.9
143.03473	2.7
145.02966	7.1
149.04539	2.2
151.07715	1.0
152.99570	6.5
159.02985	4.7
161.04555	33.1
162.04863	1.2
163.04024	2.4
205.03549	1.4
221.19034	1.0
250.00790	0.7
265.18188	0.9
301.20169	2.4
307.18835	0.8
333.22809	100.0
334.23169	9.4
377.21698	2.3
379.35068	0.7
405.21588	0.8
408.51367	0.7
447.23654	5.3
448.23782	1.0
465.11798	0.8
465.27014	18.0
465.32379	1.4
466.26996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03448	22.8
58.00602	0.9
59.01381	67.9
60.01709	0.9
61.98829	25.8
64.67993	0.5
69.03476	0.8
69.54713	3.2
71.01382	22.6
72.99317	1.9
73.02943	8.8
73.77112	0.4
75.00874	3.7
83.01390	5.3
85.02950	9.4
86.00090	0.6
87.00895	1.3
88.67988	0.5
89.02439	10.2
93.18584	0.4
95.01387	1.7
97.02953	1.0
98.20598	0.9
99.00890	2.1
99.04516	11.8
101.02446	23.2
108.02193	1.1
109.02950	1.9
111.00925	0.9
113.02446	10.7
119.03516	3.3
119.05041	0.5
123.00876	1.3
123.04539	2.8
124.01647	0.6
125.02446	8.3
125.03313	0.9
129.01891	0.7
131.03500	0.7
137.02489	0.9
142.06665	0.6
143.03505	1.3
149.99583	0.7
151.00368	1.4
151.28180	0.5
152.00871	0.5
153.01929	1.2
159.02957	0.9
160.07669	1.1
161.02499	1.0
161.04608	3.6
163.03961	0.7
167.03467	0.5
168.00598	1.5
169.01329	0.5
173.60417	0.5
175.04028	0.5
176.49631	0.4
177.01979	1.8
179.05605	0.6
189.01881	3.7
190.02638	0.5
191.03569	0.6
216.00778	0.5
217.01385	2.4
231.03046	0.6
243.19618	1.0
253.10982	0.9
264.09723	0.6
273.03082	0.8
278.60162	0.5
289.07211	0.8
300.02661	0.6
301.03329	1.4
302.03580	2.0
303.04126	2.8
303.08856	0.5
303.21829	3.0
304.11920	6.1
322.12915	15.5
333.19025	0.7
341.06665	5.5
342.07193	0.5
364.13873	4.1
377.74213	0.6
404.17197	1.6
405.25189	2.6
447.08789	0.7
447.26013	4.2
465.09952	5.1
465.27014	100.0
466.16888	1.4
466.27426	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	466.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06437	0.4
59.01381	2.5
61.98834	100.0
67.95213	0.3
70.40536	0.9
70.40927	0.7
71.01384	0.5
72.12873	0.4
79.93158	0.4
87.00889	0.5
89.02482	0.7
90.47156	0.4
101.49991	0.4
104.11777	0.4
133.66171	0.5
138.56308	0.4
160.32919	0.4
172.90950	0.4
197.04541	0.5
212.61708	0.4
269.57199	0.4
419.84094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.9
55.12331	0.3
55.39402	0.3
56.25690	0.4
57.03458	4.8
58.00590	1.5
59.01383	27.7
61.98830	1.5
68.99820	0.5
69.03456	1.2
70.38821	1.2
71.01385	60.3
72.01726	1.0
72.99303	2.6
73.02948	20.3
75.00874	0.9
78.95925	0.9
79.30511	0.4
81.03496	0.5
83.01391	11.5
84.02171	0.5
85.02955	31.1
86.00090	2.2
86.03295	0.9
87.00898	2.5
89.02452	9.0
95.01402	4.5
95.10251	0.3
97.02962	2.0
99.00887	10.4
101.02447	52.1
102.02805	1.0
111.00878	1.8
113.02455	25.0
114.02775	0.8
119.03539	1.7
119.05054	0.3
120.94287	0.3
125.02431	2.8
129.01976	1.2
131.03496	1.3
135.04453	0.4
141.01881	0.4
143.03510	3.0
148.91008	0.3
149.04539	1.4
152.99585	1.3
159.03003	5.6
161.04564	32.7
162.04942	1.1
163.03998	0.5
173.67928	0.3
181.05066	1.4
205.03545	1.6
215.05457	0.4
224.85020	0.3
232.48572	0.3
233.06635	0.5
241.18193	0.6
333.22818	100.0
334.23151	11.9
349.24118	0.5
377.21756	2.0
465.27090	8.9
466.27261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03448	22.8
58.00602	0.9
59.01381	67.9
60.01709	0.9
61.98829	25.8
64.67993	0.5
69.03476	0.8
69.54713	3.2
71.01382	22.6
72.99317	1.9
73.02943	8.8
73.77112	0.4
75.00874	3.7
83.01390	5.3
85.02950	9.4
86.00090	0.6
87.00895	1.3
88.67988	0.5
89.02439	10.2
93.18584	0.4
95.01387	1.7
97.02953	1.0
98.20598	0.9
99.00890	2.1
99.04516	11.8
101.02446	23.2
108.02193	1.1
109.02950	1.9
111.00925	0.9
113.02446	10.7
119.03516	3.3
119.05041	0.5
123.00876	1.3
123.04539	2.8
124.01647	0.6
125.02446	8.3
125.03313	0.9
129.01891	0.7
131.03500	0.7
137.02489	0.9
142.06665	0.6
143.03505	1.3
149.99583	0.7
151.00368	1.4
151.28180	0.5
152.00871	0.5
153.01929	1.2
159.02957	0.9
160.07669	1.1
161.02499	1.0
161.04608	3.6
163.03961	0.7
167.03467	0.5
168.00598	1.5
169.01329	0.5
173.60417	0.5
175.04028	0.5
176.49631	0.4
177.01979	1.8
179.05605	0.6
189.01881	3.7
190.02638	0.5
191.03569	0.6
216.00778	0.5
217.01385	2.4
231.03046	0.6
243.19618	1.0
253.10982	0.9
264.09723	0.6
273.03082	0.8
278.60162	0.5
289.07211	0.8
300.02661	0.6
301.03329	1.4
302.03580	2.0
303.04126	2.8
303.08856	0.5
303.21829	3.0
304.11920	6.1
322.12915	15.5
333.19025	0.7
341.06665	5.5
342.07193	0.5
364.13873	4.1
377.74213	0.6
404.17197	1.6
405.25189	2.6
447.08789	0.7
447.26013	4.2
465.09952	5.1
465.27014	100.0
466.16888	1.4
466.27426	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16659	1.6
57.03460	9.4
59.01381	81.6
61.98830	100.0
65.00306	4.0
69.53333	13.3
71.01385	30.9
72.99320	9.5
73.02953	28.7
75.00869	41.7
78.91887	2.0
83.01394	4.9
85.02952	10.0
86.80307	1.9
87.00871	1.9
89.02443	27.5
94.76824	1.6
95.01429	1.9
99.04537	1.9
101.02459	21.9
102.48930	1.8
107.01384	4.9
109.02920	2.8
113.02455	12.2
115.07648	4.1
115.11947	1.7
119.03502	13.1
121.02956	2.7
122.03754	2.9
123.04524	3.8
125.02450	37.2
125.09736	12.0
126.10083	2.1
131.03494	1.9
137.02429	6.7
139.00446	2.1
143.03595	2.3
150.03180	2.0
151.00365	16.9
151.04007	7.7
152.01143	4.9
153.01886	6.2
159.03026	2.4
161.04524	8.6
167.10721	1.8
175.04010	7.7
177.01909	9.0
178.99933	4.2
179.05579	6.8
195.13811	2.0
199.03918	2.6
213.14978	3.9
217.05029	3.4
225.14925	6.7
238.74762	2.3
241.05034	3.3
243.12125	1.8
243.16040	13.7
259.09741	3.2
285.04050	29.3
303.05154	21.5
303.08591	2.9
333.18869	3.6
405.21255	38.8
406.21512	3.7
455.69525	1.8
465.09833	15.0
465.22614	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99195	3.5
59.01093	5.1
59.01381	100.0
61.98833	59.0
70.17446	6.4
70.17829	6.2
71.01389	45.6
73.02940	4.1
75.00874	45.1
78.32415	2.8
83.01394	3.5
85.02931	10.6
87.00857	3.1
89.02447	43.8
89.72815	2.7
95.01364	5.4
99.00833	3.5
100.74055	3.0
101.02437	31.2
113.02458	18.3
119.03506	20.9
143.03499	4.5
143.10779	2.8
145.05054	3.6
149.04640	3.5
151.00269	5.4
160.03967	3.4
161.04538	13.1
168.90166	3.0
179.05592	11.6
243.15974	11.0
285.03885	3.3
303.14499	3.5
333.19110	5.8
405.21292	76.2
406.21603	8.1
465.18784	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13774	0.7
58.38786	0.8
59.01382	100.0
60.01714	1.6
61.98832	2.4
70.09792	2.1
71.01387	14.2
73.02954	3.1
74.38807	0.7
83.01414	1.2
85.02962	6.0
85.44300	0.7
89.02448	9.2
95.01370	0.9
99.00896	1.0
101.02437	10.3
101.06106	1.2
103.70509	0.7
113.02471	6.6
119.03510	4.5
123.08164	0.9
131.03586	1.0
141.09222	6.0
143.03531	1.4
159.03009	0.8
161.04581	8.9
179.05644	2.8
180.12662	0.7
181.70313	0.7
184.73402	0.7
195.14011	0.9
243.16028	15.5
244.16292	1.2
306.33966	0.7
405.21289	30.8
406.21732	3.1
419.15408	1.0
428.28104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01381	100.0
60.01714	0.9
61.98829	1.4
67.06689	0.5
69.30674	4.1
71.01387	6.1
73.02943	0.5
85.02949	0.9
89.02448	11.4
89.02991	0.7
97.34652	0.4
101.02450	3.5
113.02468	3.4
119.03513	5.5
131.03528	0.6
143.03500	1.2
149.04573	0.8
161.04562	1.8
179.05626	3.5
198.82635	0.5
202.98727	0.5
405.21262	3.7
406.21588	0.6
465.23688	1.0
492.17865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52948	0.7
57.03452	1.1
58.00618	0.7
59.01382	100.0
60.01708	0.9
61.98830	14.3
62.31159	0.7
63.28045	0.6
67.06693	0.7
69.42815	6.4
71.01390	8.2
82.00096	0.6
83.01391	0.7
85.02968	1.3
85.18293	0.7
89.02449	11.4
101.02437	4.7
113.02467	4.4
115.71212	0.7
116.83733	0.8
119.03520	5.5
124.89759	0.8
125.02531	0.7
132.96146	0.8
143.03464	1.2
149.09727	1.1
161.04565	2.6
166.75923	0.7
167.10825	1.8
179.05548	3.5
187.72453	0.7
243.16064	1.7
282.18576	0.7
405.21252	6.8
406.21854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52551	1.3
57.03436	3.8
59.01381	100.0
60.11044	1.2
61.98838	12.2
70.81722	2.9
71.01385	19.2
72.99294	1.6
73.02951	3.3
75.00843	2.1
78.95895	1.3
83.01395	3.4
85.02976	5.9
87.00865	2.3
89.02454	22.3
93.03483	1.3
95.01355	2.2
101.02454	11.0
101.85632	1.2
107.01372	1.4
109.02956	1.7
113.02447	7.0
119.03531	7.9
121.02967	6.9
125.02434	14.1
125.06105	1.5
127.50739	1.1
131.03477	2.0
137.02451	2.7
139.03964	1.6
140.07156	9.4
141.09229	5.1
149.02466	2.8
151.00398	8.1
151.04028	2.0
153.01939	13.9
159.03015	1.3
161.02357	1.4
161.04561	10.4
162.18158	1.3
163.00380	12.1
163.43459	1.2
165.01949	8.2
175.03938	1.3
177.01949	4.1
178.99815	2.7
179.03508	7.4
179.05614	6.3
180.04269	4.7
181.01416	2.7
182.08209	5.5
194.05806	4.3
195.06621	19.4
225.07675	5.9
225.15024	1.7
226.70015	1.3
243.15939	9.9
285.04053	5.5
303.05090	7.2
303.10190	1.4
303.18130	1.5
315.07306	4.9
357.11795	4.5
405.21307	24.5
406.21628	2.3
440.72614	1.3
465.10446	11.5
465.23315	7.9
466.11227	2.2
489.15781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
50.70537	1.0
57.03445	5.7
59.01379	75.4
60.75705	0.9
61.98833	11.1
63.02394	2.5
64.92638	0.9
65.00328	4.4
68.99818	2.2
71.01385	18.8
72.99301	1.6
73.02955	1.3
75.00872	3.2
78.95889	1.2
81.03442	2.1
83.01387	13.5
85.02945	3.6
87.00867	2.9
89.02448	17.6
89.06484	1.3
91.01891	1.3
93.03470	6.8
95.01388	2.8
95.05032	1.7
96.96010	1.9
96.96938	1.6
97.02953	2.6
101.02441	10.7
107.01390	10.8
108.02222	1.2
109.02972	7.5
111.00864	1.4
113.02464	8.3
119.03510	9.5
121.02955	44.5
122.03280	2.2
123.04504	5.0
123.08076	1.2
125.02445	57.5
126.02786	1.8
132.02164	1.7
133.02948	4.1
135.00885	3.7
137.02451	7.3
139.04051	1.5
140.07179	9.4
141.09186	2.0
143.03503	2.6
149.02406	6.9
151.00368	53.5
151.03937	1.8
152.00763	2.2
153.01936	100.0
154.02272	4.4
154.08711	1.7
161.02492	1.6
161.04558	5.3
163.00371	77.1
164.00812	4.1
165.01923	18.0
166.02486	1.1
167.03523	1.9
169.01422	7.5
175.03963	1.2
177.01903	11.7
178.99847	19.1
179.05592	8.3
181.01437	16.2
182.01764	1.2
182.08167	6.7
183.02905	2.3
189.05588	1.2
193.01399	1.7
195.02966	1.8
200.09245	2.4
205.01358	3.1
205.63452	1.3
209.00902	2.4
215.00163	1.2
217.05026	1.4
225.14984	1.3
229.04948	1.1
241.05045	2.7
243.15924	4.3
255.02908	1.4
257.04575	4.5
267.02881	2.3
285.04034	29.9
286.04388	2.5
288.81024	1.1
303.05069	29.6
304.05371	2.4
307.10333	1.3
313.05588	2.1
315.07199	22.0
316.07654	3.2
327.05399	1.5
343.06491	1.4
353.05130	2.4
405.21289	12.3
447.09174	4.3
451.11627	1.1
465.10336	72.4
465.23105	2.3
466.10703	10.7
466.17050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88269	0.3
55.01880	0.3
57.03455	0.9
59.01385	10.8
61.98833	100.0
65.00310	0.4
66.75383	0.3
69.54888	0.8
69.55296	1.5
71.01385	3.3
73.02945	1.0
74.02483	0.5
75.00879	0.8
83.01392	0.6
85.02956	1.8
87.00909	0.4
89.02460	1.3
99.04578	0.5
101.02462	2.8
107.01369	0.4
108.01679	0.4
112.96581	0.3
113.02480	1.3
115.07731	0.4
121.22974	0.3
123.04565	0.4
124.01691	0.3
125.02483	1.0
151.00385	2.3
152.00732	0.9
154.33908	0.3
161.04599	1.1
168.00691	0.4
169.01347	0.3
177.01991	0.3
178.99890	1.0
180.00182	0.7
189.01964	0.5
217.01495	0.4
231.02869	0.3
256.03519	0.5
258.40829	0.3
271.02548	0.5
272.02893	1.1
286.04559	0.3
288.09003	0.3
300.02780	1.0
301.03320	3.3
302.03885	4.7
302.20682	0.6
315.16788	0.3
332.18271	0.3
341.06616	1.0
405.25040	0.6
447.25833	0.7
464.09058	3.0
464.21136	0.3
464.26196	4.5
465.10355	0.7
465.27066	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1051
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
55.01877	0.9
57.03182	0.8
57.03447	11.9
58.00620	1.1
59.01096	1.2
59.01380	23.0
61.98824	10.9
63.02385	1.1
65.00321	5.0
69.03441	1.0
71.01380	14.1
72.99300	1.9
73.02941	3.9
75.00873	44.6
76.01198	0.9
77.01319	1.0
81.03465	0.9
83.01393	6.6
85.02966	4.5
89.02439	9.3
95.01369	5.1
97.02953	0.9
99.00867	2.3
99.04527	1.2
101.02445	9.4
103.04023	0.9
107.01389	6.1
108.02148	1.9
109.02946	5.1
111.00870	2.6
113.02432	4.8
114.02842	0.8
119.03485	2.4
121.02940	1.9
123.00882	2.6
123.04523	5.4
124.01665	8.9
125.02448	100.0
126.02794	3.8
131.03493	1.2
133.02930	1.8
136.14572	0.8
137.02440	4.6
139.00392	1.7
139.03987	1.9
147.04491	2.3
147.44283	0.7
149.02460	4.7
149.04514	1.8
150.03229	4.0
151.00378	27.0
151.03984	9.2
152.01157	16.6
153.01955	9.3
161.04523	5.1
161.05907	1.5
163.00391	1.3
163.06088	1.1
167.06064	1.0
168.00574	1.9
169.01408	1.0
171.04576	1.4
173.06035	2.2
174.03296	1.6
175.04012	6.9
176.01073	2.7
177.01936	4.1
178.99878	9.0
179.05583	1.2
187.04108	1.1
188.04752	1.4
189.05560	5.6
191.03473	2.2
191.05455	1.1
191.07190	0.9
193.05026	3.8
199.04004	2.0
201.01830	0.9
211.03862	0.9
213.05432	1.3
215.03523	1.0
215.07135	1.7
215.12839	1.0
216.04243	1.5
217.05013	12.0
222.73158	1.0
223.03996	0.8
225.14978	1.2
231.06577	2.6
241.04997	2.8
243.12326	1.7
257.04547	1.9
258.05035	0.9
259.06055	12.4
260.06561	1.0
274.04791	1.9
275.05634	8.1
284.03171	1.2
285.04053	34.6
286.04291	3.1
303.05130	10.1
303.08521	1.5
304.05270	0.9
319.17551	2.7
331.06555	1.3
334.13040	0.9
405.21411	3.9
406.11771	1.6
421.11252	3.1
434.08041	0.8
437.10901	22.3
438.11215	2.2
447.09341	7.6
448.09848	1.1
465.10309	88.6
465.23495	2.9
466.10425	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	465.1042
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
57.03443	1.2
59.01388	7.4
61.98845	5.5
69.03465	3.6
71.01373	3.1
73.02923	1.1
74.02473	2.4
75.00872	1.7
75.59929	0.7
81.03464	0.9
83.01382	1.7
85.02959	1.4
85.05374	0.7
89.02443	1.6
90.58665	0.6
93.03449	1.1
95.01416	1.6
97.02961	3.4
98.19855	2.1
99.04520	1.1
101.02444	2.3
107.01389	1.9
108.02177	3.7
109.02982	4.1
113.02414	1.1
119.05053	0.8
121.02956	1.3
121.46510	0.7
123.00883	7.5
123.04525	6.5
124.01672	21.5
125.02459	54.3
126.02763	1.9
133.02977	0.8
137.02451	3.8
147.04530	1.1
149.99602	37.7
151.00183	3.3
151.03978	4.2
157.00414	0.7
160.01671	1.1
161.02448	1.4
161.04570	1.2
167.03467	1.2
168.00655	57.6
169.01335	4.9
175.03941	1.4
177.01915	6.6
178.02403	0.9
187.04070	1.4
189.01952	15.9
190.02654	3.3
191.03503	3.7
203.03464	1.8
216.00615	1.7
217.01407	11.0
219.03000	4.6
229.14645	1.4
229.55019	0.7
231.02916	3.1
253.10881	1.8
271.06180	1.3
304.35526	0.6
306.09067	0.7
313.05789	2.8
333.19101	1.1
338.06207	0.8
341.06662	28.9
342.06979	3.2
343.55640	0.8
355.07996	1.4
431.15909	1.2
441.17139	0.8
447.09256	2.2
465.10410	100.0
465.26984	7.5
466.10742	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	464.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88269	0.3
55.01880	0.3
57.03455	0.9
59.01385	10.8
61.98833	100.0
65.00310	0.4
66.75383	0.3
69.54888	0.8
69.55296	1.5
71.01385	3.3
73.02945	1.0
74.02483	0.5
75.00879	0.8
83.01392	0.6
85.02956	1.8
87.00909	0.4
89.02460	1.3
99.04578	0.5
101.02462	2.8
107.01369	0.4
108.01679	0.4
112.96581	0.3
113.02480	1.3
115.07731	0.4
121.22974	0.3
123.04565	0.4
124.01691	0.3
125.02483	1.0
151.00385	2.3
152.00732	0.9
154.33908	0.3
161.04599	1.1
168.00691	0.4
169.01347	0.3
177.01991	0.3
178.99890	1.0
180.00182	0.7
189.01964	0.5
217.01495	0.4
231.02869	0.3
256.03519	0.5
258.40829	0.3
271.02548	0.5
272.02893	1.1
286.04559	0.3
288.09003	0.3
300.02780	1.0
301.03320	3.3
302.03885	4.7
302.20682	0.6
315.16788	0.3
332.18271	0.3
341.06616	1.0
405.25040	0.6
447.25833	0.7
464.09058	3.0
464.21136	0.3
464.26196	4.5
465.10355	0.7
465.27066	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.87087	0.4
57.03460	1.4
58.00591	1.3
59.01383	12.1
60.01732	0.5
61.98831	100.0
65.00326	0.8
67.02517	0.4
69.03460	0.5
69.43017	0.5
69.49116	0.8
69.49526	3.2
71.01388	7.7
72.01707	0.6
73.02948	2.4
75.00867	2.2
78.91879	2.2
81.83928	0.4
83.01389	2.6
85.02957	2.9
88.46674	0.5
89.02454	5.2
95.01408	0.6
99.00880	1.2
99.04540	0.4
101.02447	6.0
102.02813	0.5
107.01421	1.7
107.28470	0.5
111.00873	0.5
113.02448	3.1
119.03528	1.5
123.04530	1.3
125.02462	1.7
137.02496	0.5
143.03444	0.6
146.06165	0.9
148.07739	0.6
149.04503	0.5
150.03174	1.1
151.00371	9.5
151.04024	1.3
155.93587	0.5
159.02975	0.5
161.04576	2.6
176.87531	0.5
178.99942	0.8
179.05623	0.8
199.03792	0.4
204.06638	0.7
207.05286	0.5
207.87575	0.5
210.12305	0.5
235.33357	0.5
237.06537	0.5
241.05261	0.5
241.07391	1.9
242.07666	2.2
243.08432	0.5
243.15974	3.7
272.14810	0.8
285.04013	5.8
300.14581	0.7
303.05496	0.7
303.08838	1.4
329.15054	0.6
330.15433	1.5
332.17975	0.7
333.15558	0.6
373.14130	1.6
374.14368	8.5
375.20313	0.8
386.14249	0.7
392.23685	0.9
404.15897	1.1
405.21259	7.0
420.16071	5.0
446.75952	0.5
463.22079	0.7
464.16721	3.1
464.23309	2.3
465.10468	1.3
465.19165	2.3
485.59558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
58.00562	0.2
59.01381	17.0
60.01720	0.7
61.98831	100.0
70.06982	0.9
70.07392	0.5
71.01385	3.6
72.99306	0.3
73.02946	0.6
83.01393	0.5
85.02964	1.1
87.00896	0.5
89.02439	3.6
95.01407	0.3
99.00908	0.4
99.04594	0.3
101.02439	2.4
111.47499	0.2
113.02443	1.9
118.50816	0.3
119.03492	1.6
120.21101	0.2
123.04486	0.2
125.02454	2.6
134.03712	0.3
135.04532	0.4
140.07182	0.4
143.03510	0.4
151.00414	0.7
153.01895	0.5
153.09254	0.3
161.02464	0.3
161.04550	2.0
167.87186	0.3
175.03941	0.5
177.01964	0.7
178.99895	0.4
179.03571	0.9
179.05624	1.3
207.14113	0.3
217.05028	0.3
242.17416	0.3
243.15999	1.6
285.04083	3.0
303.05136	2.8
332.51303	0.3
340.49905	0.2
404.20087	0.8
405.21249	3.9
426.88931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63651	0.4
59.01382	4.6
61.98830	100.0
69.70050	1.9
69.70464	0.9
71.01389	1.7
85.02960	0.7
89.02452	1.1
90.37456	0.4
98.19774	0.4
99.04492	0.5
101.02443	1.2
107.85982	0.4
113.02439	1.0
145.05095	1.5
161.04524	0.4
179.05629	0.8
238.38469	0.5
252.62302	0.4
303.08884	0.9
404.19940	0.7
405.21576	1.1
415.82431	0.5
449.82480	0.6
464.22357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38765	0.5
57.03448	1.0
58.00599	1.3
59.01378	12.7
61.98830	100.0
65.00320	0.8
69.40961	4.2
70.19367	0.4
71.01382	5.9
72.99337	0.5
73.02945	2.8
75.00874	3.3
78.91898	2.7
82.96851	0.4
83.01411	0.7
85.02966	1.9
87.00880	0.5
89.02447	5.0
90.21774	0.4
95.01394	0.8
97.03005	0.6
99.00861	0.6
99.04516	0.6
101.02439	5.1
105.21286	0.4
107.01408	1.0
109.45886	0.5
111.00884	0.7
113.02441	2.6
119.03532	2.1
123.04533	0.8
125.02451	1.0
131.03525	0.7
143.03508	0.6
145.05116	0.5
146.06102	0.6
148.07761	0.7
151.00365	3.3
151.04007	0.9
153.67918	0.6
161.04578	2.7
162.04872	0.7
179.05640	1.0
241.07393	0.7
242.07761	1.4
243.16090	1.6
285.04111	1.9
303.08850	1.7
330.15515	0.6
332.17819	0.8
373.14410	0.6
374.14398	4.3
375.14737	0.7
375.20468	1.0
386.14557	0.6
392.23724	1.0
405.21243	5.0
420.15836	2.8
464.17377	1.7
464.23087	2.8
465.10226	0.6
465.19144	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76727	0.9
55.01878	6.1
57.03445	6.4
58.00579	2.4
59.01382	41.1
61.98832	8.3
69.03450	1.9
70.34945	1.0
70.35285	2.9
71.01383	79.9
72.99319	4.1
73.02950	25.4
75.00873	2.9
76.87997	0.8
78.95906	7.4
81.03464	1.0
83.01395	12.1
85.02953	35.7
86.00101	2.6
86.03305	0.9
87.00861	3.7
89.02449	27.2
95.01380	6.5
96.96010	1.4
97.02943	2.9
99.00890	11.1
101.02448	63.8
102.02724	1.0
111.00870	1.5
113.02454	28.0
114.02768	1.4
119.03497	7.0
119.05032	1.1
121.02979	1.5
123.08068	0.9
125.02433	3.5
129.01926	2.5
131.03499	2.5
137.02405	1.4
138.09207	0.9
143.03539	4.4
149.04565	4.6
151.00340	2.1
152.99591	10.3
159.02994	5.9
161.04564	35.1
162.04872	1.6
162.20242	0.9
163.04021	0.9
178.99924	1.6
179.05612	2.5
191.05620	1.7
205.03485	2.4
243.02953	2.1
255.02971	5.1
271.02490	11.2
272.02859	1.1
300.02744	18.4
301.03445	9.2
331.21259	100.0
332.21579	11.4
366.05377	0.9
375.20288	3.6
463.08859	12.0
463.25867	15.3
464.09351	1.8
464.25729	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	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61832	0.6
56.54102	0.6
57.03462	0.7
58.00587	1.1
59.01373	1.8
61.98831	100.0
62.21056	0.6
71.01392	0.8
72.18966	0.7
73.02943	1.0
75.00871	1.8
85.02961	0.9
88.71809	0.7
101.02448	0.7
117.09106	0.7
127.89590	0.6
134.98869	0.7
146.88927	0.7
147.06615	0.8
161.04733	1.2
205.07118	0.8
246.69006	0.7
284.11325	0.9
314.64212	0.7
330.15622	1.8
347.45413	0.7
351.63068	0.7
373.14194	1.6
374.14322	8.1
375.14505	1.1
404.15677	1.4
464.17331	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.8
55.83461	0.4
57.03470	2.1
57.03698	0.4
58.00582	0.7
59.01382	17.5
61.98837	0.6
69.03444	1.0
69.76427	2.3
71.01385	42.6
72.01711	0.6
72.99297	1.0
73.02950	16.7
75.00876	1.2
81.03465	0.7
83.01385	5.8
85.02953	18.9
86.03326	0.6
87.00868	2.1
89.02444	9.5
95.01389	3.1
96.89471	0.5
97.02953	1.8
98.20583	0.5
99.00879	8.9
99.04517	0.8
101.02441	31.9
102.02789	0.7
111.00864	0.7
113.02448	16.8
114.02742	0.7
115.03971	1.5
119.03493	1.1
125.02453	2.8
129.01955	0.8
131.03484	1.8
143.03502	2.2
144.55385	0.4
149.04559	1.1
159.02960	4.1
161.04556	21.4
162.04887	0.5
191.05568	0.5
233.06613	1.8
265.52969	0.5
293.08765	1.0
331.17599	28.7
332.17978	2.6
463.21832	100.0
464.22153	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.1
57.03466	2.8
58.00594	1.3
59.01385	32.4
61.98820	2.0
69.03460	1.4
69.30907	0.9
69.31313	4.7
70.93488	0.6
71.01389	49.6
72.01730	0.7
72.99307	2.7
73.02955	19.2
75.00881	1.6
81.03455	0.9
83.01395	7.4
85.02439	1.2
85.02957	21.5
87.00886	2.1
89.02449	19.9
93.03478	0.6
95.01412	3.6
97.02964	2.2
98.19807	1.1
99.00890	9.8
99.04503	0.8
101.02453	40.9
102.02798	0.9
107.01376	1.3
113.02460	18.1
114.02802	0.6
115.04025	1.2
119.03515	5.0
125.02447	4.4
129.01906	0.8
131.03514	6.1
137.02415	1.9
137.85928	0.5
143.03497	3.0
149.04546	7.4
151.00346	3.1
159.03003	3.7
161.04572	19.0
163.18103	0.6
164.01157	4.1
169.12343	0.7
170.86647	0.6
178.99915	2.7
179.05606	2.0
191.05640	2.6
193.01468	0.6
233.06679	1.6
243.02995	0.8
271.02426	2.0
277.71359	0.6
293.08661	1.0
299.01987	3.4
299.50204	0.7
300.02585	1.1
301.03455	0.7
316.02277	5.3
317.02979	1.8
326.51352	0.6
331.17630	36.7
332.17935	4.0
375.16849	0.8
463.08615	4.8
463.21854	100.0
464.09244	0.7
464.22147	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	463.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46559	0.4
57.03456	0.8
59.01387	3.5
59.36934	0.4
61.09464	0.5
61.98837	3.2
64.56305	0.5
78.95929	1.3
80.81290	0.5
83.05049	0.6
85.02943	0.6
93.03465	1.4
98.19875	1.5
117.03476	100.0
118.03814	4.4
125.09672	0.5
135.04541	2.3
139.19173	0.5
151.00392	0.8
152.99588	1.7
161.02461	15.5
162.02747	0.7
162.46010	0.5
187.17490	0.6
214.92223	0.5
221.19122	4.5
239.20256	0.7
243.03044	1.1
255.02971	2.7
265.18054	3.2
271.02499	5.6
283.19128	4.1
283.25943	0.5
300.02786	8.1
301.03467	5.6
301.20224	36.4
302.20514	3.4
360.55756	0.5
463.09052	7.7
463.23276	16.9
464.09015	1.0
464.23523	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94242	1.4
57.03440	3.2
58.00597	1.8
59.01385	100.0
61.98839	11.2
68.90543	1.4
69.52214	6.8
69.52624	4.6
71.01385	20.8
72.99294	1.8
85.02955	3.1
89.02451	36.9
89.13756	1.4
98.20593	3.0
101.02444	13.3
107.72853	1.9
113.02456	10.2
119.03493	16.7
131.03508	3.5
139.07654	7.5
143.03476	3.8
151.07681	2.1
165.09174	3.7
179.05641	11.7
179.10779	3.6
193.12296	1.9
204.13333	1.5
220.99179	1.6
223.13428	3.1
241.14445	18.7
384.31070	1.5
403.19745	27.0
404.20081	2.8
486.48190	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	463.2185
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01871	3.4
57.03446	3.3
58.00584	1.1
58.37843	0.6
59.01379	46.5
60.01714	1.0
61.98833	15.6
63.85140	0.6
69.03453	0.8
69.52089	1.9
69.52496	3.0
71.01382	61.0
72.01714	1.1
72.99300	1.8
73.02949	20.9
75.00856	1.5
78.45000	0.6
81.03456	0.9
83.00942	1.0
83.01388	6.9
85.02950	26.0
87.00861	2.8
89.02444	14.3
95.01402	5.0
97.02958	2.3
99.00876	10.0
99.04533	0.9
101.02445	36.4
102.02785	1.7
113.02445	25.7
115.04057	1.7
119.03513	1.8
125.02412	4.0
131.03493	2.7
135.98816	0.7
139.07642	1.4
143.03526	3.5
149.04544	1.4
151.07574	0.7
159.02969	5.2
161.04558	37.1
162.04871	1.1
179.05667	0.7
179.10789	1.4
193.12292	0.8
205.03529	0.9
223.13419	1.2
223.87979	0.7
232.67824	0.7
233.06660	2.1
241.14433	11.7
242.14879	1.2
283.10950	1.5
331.17606	12.2
332.17667	1.1
403.15665	1.2
403.19833	13.4
404.20142	1.5
463.21860	100.0
464.22162	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15714	2.8
51.52555	3.8
52.45296	2.7
59.01382	23.9
61.98838	9.3
69.03471	4.2
71.01393	14.7
71.16645	6.8
72.99277	2.7
75.00873	19.8
83.01408	4.2
89.02461	13.5
93.03467	3.9
99.00902	3.3
101.02457	8.5
108.02178	16.5
109.02961	16.3
113.02422	4.7
120.99669	3.9
121.02950	8.6
123.00910	5.4
123.04536	9.4
124.01678	6.5
125.02462	21.5
133.02956	12.5
135.00926	5.2
135.02995	33.2
135.04538	7.7
137.02487	18.2
139.04008	3.6
149.02444	51.0
149.99576	13.6
151.00334	5.0
151.03990	6.9
152.01135	13.4
153.01920	8.3
161.02460	58.9
163.00389	27.6
164.01122	4.4
165.01941	98.9
166.02307	4.8
168.00638	27.6
173.02417	2.9
176.01117	18.5
177.01929	100.0
181.05074	4.0
190.02728	11.4
191.03142	2.7
202.99913	10.6
204.00652	4.9
205.01346	17.6
205.04785	3.3
218.02180	10.6
239.07069	3.6
257.85791	3.0
283.06104	6.0
283.15533	18.2
309.04071	13.5
315.07330	27.8
327.05103	91.8
327.08945	6.5
328.05426	12.0
343.04486	3.1
373.05618	6.7
463.10605	42.5
463.21960	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	463.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.6
59.01379	73.3
61.98829	27.9
68.99577	8.1
70.11194	9.5
71.01392	16.1
73.02943	9.4
78.95893	10.3
81.61538	3.3
82.16160	3.2
83.01396	7.8
83.04993	4.7
85.02949	11.2
89.02460	5.6
101.02440	16.9
107.01436	5.8
108.02180	3.0
109.02914	5.2
113.02444	13.8
117.03460	3.1
121.04591	11.2
123.04485	3.8
125.95991	2.8
135.04567	10.4
141.05215	10.7
151.00365	11.6
152.99550	22.8
153.05554	4.5
153.09187	3.6
161.04536	7.0
161.88199	2.8
163.00352	3.5
165.03500	6.0
178.99812	7.5
185.04129	4.1
205.04797	52.8
209.11737	4.0
227.03423	4.2
237.35867	3.1
241.02480	49.5
242.02969	3.6
243.02977	13.4
255.02946	25.9
271.02481	58.8
272.02942	6.7
300.02762	100.0
301.03455	51.4
302.03851	3.6
312.24799	4.1
331.21194	13.6
419.24155	3.4
445.22046	3.8
463.08835	70.5
463.23575	24.4
464.09103	8.8
464.23743	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	461.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
56.51293	0.7
57.03455	2.0
58.00607	1.4
59.01381	100.0
60.01715	1.2
61.98833	6.1
66.69564	0.7
69.03477	1.2
71.01390	20.4
71.62785	0.9
72.99318	3.1
73.02952	2.8
78.95915	1.7
80.12987	0.7
83.01406	1.8
83.05059	1.2
85.02963	4.3
85.06602	1.3
87.00914	1.2
89.02448	24.7
97.06596	1.3
97.10187	0.7
99.00883	2.8
101.02448	11.5
102.02922	0.7
107.05041	0.8
111.04515	0.9
113.02460	6.6
119.03514	6.5
120.09083	0.6
121.02925	1.1
123.04520	1.0
123.08187	1.0
125.02448	1.1
125.09734	1.6
126.11259	0.7
129.01959	1.3
131.03493	5.0
143.03517	1.2
149.02513	0.9
149.04558	6.9
149.05753	1.1
152.99593	1.7
155.10754	1.2
161.04616	2.3
161.39868	0.7
163.04120	0.8
164.04716	1.6
171.10318	1.1
179.05663	2.7
179.07141	0.9
187.09778	1.2
191.05621	1.7
217.10760	1.2
225.11176	1.0
241.01489	3.1
242.02113	0.8
245.00975	1.1
270.01712	2.9
271.02548	2.4
298.01245	1.4
298.04758	1.3
299.02014	2.7
311.14316	0.8
314.04297	0.9
329.19717	3.3
399.22183	0.8
417.22653	0.9
461.07455	3.0
461.21591	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27832	0.3
59.01381	3.4
61.98822	0.6
63.02405	0.4
65.00320	1.3
69.56503	1.3
69.56931	1.1
71.01380	2.7
73.02939	0.4
74.62082	0.3
75.37288	0.3
83.01384	1.3
85.02925	0.6
89.02444	3.7
98.20634	0.6
101.02446	1.6
107.01399	2.7
108.02177	1.3
109.02939	1.1
113.02501	0.7
119.01353	0.3
119.03516	0.5
121.02979	2.1
122.03233	0.3
125.02428	0.5
131.03502	1.2
131.79749	0.4
135.00880	1.1
148.01704	1.5
149.02457	0.4
149.04599	2.4
151.00377	11.0
152.00731	0.4
161.04611	0.4
163.00439	2.1
164.01060	0.7
165.01961	0.4
169.01372	0.5
178.99869	5.6
183.04491	0.4
187.03929	0.4
190.99821	0.4
191.05655	0.5
192.00688	0.5
198.03255	0.5
199.03999	0.8
203.03479	0.5
211.04024	1.1
216.04309	0.6
226.02745	2.1
227.03448	3.4
229.05165	0.7
243.02989	13.0
244.03482	1.5
245.04539	1.0
254.02248	3.4
255.00128	0.4
255.02989	25.7
256.03336	3.0
271.02487	57.0
272.02908	7.6
273.04083	1.1
283.02390	0.8
299.02011	0.9
300.02765	100.0
301.03464	49.2
302.03922	3.9
316.02347	0.9
317.02930	1.1
342.42084	0.4
343.04559	0.5
463.08835	71.6
463.22232	1.5
464.09103	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
57.03450	2.9
58.00595	1.3
59.01381	29.1
61.98824	1.2
65.00330	0.6
69.03452	1.8
69.63663	2.9
71.01383	48.8
72.01718	0.6
72.99313	1.7
73.02949	18.3
75.00872	1.7
81.03453	0.5
83.01395	6.3
85.01376	0.4
85.02954	19.8
87.00880	2.6
88.04828	0.5
89.01904	1.1
89.02445	20.3
94.66174	0.5
95.01413	2.8
97.02946	1.7
99.00882	7.6
99.04499	0.6
99.46427	0.5
101.02445	37.9
102.02784	0.7
107.01389	0.6
110.94906	0.4
111.00894	1.1
113.01680	1.0
113.02452	18.4
115.04012	1.2
117.25323	0.5
119.03486	5.0
125.02448	2.7
129.01924	1.3
131.03500	5.4
137.02463	0.8
143.03490	2.5
143.21701	0.5
149.04558	7.2
151.00356	2.5
159.02953	3.2
161.04562	18.0
162.04904	0.6
164.01134	3.5
169.12332	0.6
171.25456	0.5
173.95238	0.6
178.99857	3.1
179.05692	2.4
191.05583	3.2
193.01372	1.4
233.06650	1.4
236.04233	0.5
264.54779	0.5
271.02365	1.3
272.23135	0.5
293.08743	1.1
299.01993	2.6
301.03488	0.6
316.02249	3.2
317.02954	1.9
331.17606	35.1
332.17966	4.1
437.85999	0.5
463.08902	3.5
463.21838	100.0
464.22171	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	463.0884
Annotation	Hyperoside
Peak:m/z	Relative Intensity
52.16889	0.4
52.18865	0.4
59.01393	2.8
59.07183	0.4
59.32633	0.4
63.02391	1.0
65.00332	1.2
69.74397	2.6
71.01392	2.7
73.02944	0.5
74.30399	0.4
83.01389	0.9
85.02937	0.9
85.39395	0.5
89.02444	2.7
91.01842	0.7
101.02446	2.3
107.01384	2.6
108.02177	1.6
109.02959	1.9
113.02433	0.7
114.27829	0.4
119.03519	1.0
121.02973	1.7
125.02401	0.6
131.03516	0.5
135.00912	1.3
148.01643	1.5
149.04533	1.4
151.00385	12.5
163.00366	2.9
164.01175	0.8
169.01514	0.5
178.99883	6.9
183.04564	0.5
187.03940	0.7
188.79024	0.5
192.00664	0.7
198.03116	0.5
199.03963	0.9
201.05536	0.6
204.17944	0.5
211.04050	1.1
215.03572	0.6
216.04300	0.6
226.02663	2.2
227.03470	3.8
228.04028	0.8
229.05032	0.8
243.02983	12.6
244.03456	1.8
245.04489	1.3
254.02257	2.5
255.02997	27.2
256.03357	2.6
271.02487	64.6
272.02863	7.2
273.04147	1.3
283.02496	1.4
299.01968	1.3
300.02765	100.0
301.03503	57.2
302.03906	3.7
331.17670	0.7
463.08832	69.4
464.09161	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	461.2394
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01880	4.2
57.03454	4.0
58.00580	1.9
59.01386	35.8
61.98840	6.0
62.36930	0.4
69.03452	1.8
69.30331	4.1
71.01389	68.4
72.01740	1.3
72.99312	3.3
73.02954	29.0
75.00871	1.3
80.27618	0.4
81.03465	1.2
83.01393	19.6
84.02177	0.4
85.02960	34.6
86.00117	1.3
86.03272	0.6
87.00881	3.6
89.02452	11.4
93.03465	0.5
95.01401	3.9
97.02964	3.5
99.00887	12.5
99.04502	0.6
101.02451	65.6
102.02791	1.5
103.04025	3.0
109.02971	0.5
111.00906	1.1
113.02460	26.8
114.02756	0.6
115.04023	0.6
119.03516	2.9
123.04508	0.7
125.02458	5.8
127.03989	0.7
129.02003	1.9
131.03505	1.0
137.02467	0.6
139.00455	0.5
143.02727	0.3
143.03549	3.7
145.05060	1.2
149.04501	1.0
153.12881	1.2
154.02383	0.5
159.03012	5.3
161.04570	38.5
162.04909	1.1
163.06139	3.0
164.04852	0.7
165.01936	0.6
165.09259	0.5
166.09622	0.5
167.03484	0.7
167.10793	4.8
205.03549	1.3
205.07108	0.9
229.07217	1.9
241.01436	1.3
242.02287	0.5
243.03009	1.2
245.01021	0.5
247.08115	1.9
255.02991	1.2
255.59998	0.4
263.12985	0.4
270.01666	1.6
271.02441	2.8
283.02563	0.7
285.04150	1.1
293.08884	0.4
298.01190	0.6
298.04532	0.6
299.02075	2.0
300.02689	0.5
314.04361	1.7
315.05313	1.0
315.18130	99.0
316.18478	10.6
316.55914	0.4
359.17075	1.8
401.21622	0.6
461.10950	3.0
461.23941	100.0
462.24323	15.9
462.29791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87530	0.5
57.03447	1.3
58.00594	1.3
59.01381	100.0
60.01710	1.3
61.98848	1.2
65.03034	0.5
71.01383	27.5
71.62879	0.6
72.01796	0.5
72.99296	2.3
73.02953	1.0
83.01402	0.9
85.02949	3.9
87.00896	1.8
89.02445	45.5
89.37614	0.4
89.62973	0.4
90.02768	0.5
93.03453	3.1
95.01424	1.6
101.02446	13.5
102.02853	0.7
107.81449	0.4
113.02449	12.1
119.03500	16.7
125.02411	0.5
131.03539	1.9
135.00964	0.8
137.02470	4.2
143.03520	4.4
143.13402	0.4
145.02960	1.0
149.04602	1.6
151.00409	0.9
151.04076	1.6
161.04565	5.1
163.00356	0.5
171.93207	0.5
179.05612	17.1
179.07140	1.1
180.06024	0.7
199.04103	2.0
201.02028	0.7
211.08066	0.6
215.03525	1.0
216.67055	0.6
227.03568	1.9
231.24115	0.5
241.01576	1.5
242.02246	2.8
243.02946	10.1
243.05197	0.7
244.03481	0.7
245.00989	1.3
252.38705	0.5
255.03006	2.4
257.04498	2.9
270.01639	3.9
271.02460	12.5
272.03067	2.0
281.17865	0.6
283.02646	1.8
285.04016	6.2
286.04929	1.8
298.01404	0.7
299.02158	5.1
299.05438	0.9
300.02612	3.4
314.04321	10.5
314.07639	0.8
315.05045	6.8
315.08221	0.5
316.05542	0.7
461.11258	19.3
461.24380	2.7
462.11407	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	461.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03449	1.9
57.35242	0.4
58.00594	5.5
59.01380	100.0
60.01717	1.2
61.98835	1.2
68.99015	0.3
69.03460	2.1
69.39078	1.1
69.39477	2.4
71.01382	58.4
72.01726	0.8
72.99310	7.1
73.02948	34.7
74.02481	0.4
74.03291	0.5
75.00870	0.9
81.03483	1.1
83.01389	6.1
83.05025	0.5
85.02953	20.7
86.00103	2.8
87.00878	14.4
87.04512	4.6
89.02445	55.4
89.66024	0.4
90.02792	1.2
93.03481	0.4
93.24877	0.4
95.01385	2.1
97.02954	1.9
99.00887	1.6
99.04523	1.0
101.02444	71.0
102.02797	1.6
103.04009	25.6
104.04380	0.6
111.00972	0.5
113.02454	13.5
114.02784	0.4
115.04018	7.4
119.03506	21.7
120.03840	0.6
125.02449	5.1
127.04029	3.0
131.02505	0.7
131.03502	14.4
133.05002	0.5
143.03503	18.3
144.03828	0.7
145.05083	7.1
149.04570	1.7
161.04558	3.9
163.06123	51.1
164.06424	2.0
167.10745	1.6
179.05612	4.2
205.07159	36.5
206.07501	2.4
225.69191	0.4
241.01457	0.7
247.08159	0.6
265.09262	1.6
270.01605	0.6
271.02325	0.8
293.08878	0.6
299.01962	1.0
314.04318	0.5
315.18033	2.7
316.18390	0.6
327.21851	0.5
341.27014	0.6
348.31589	0.5
359.28006	2.4
397.15695	0.4
439.90564	0.5
461.23819	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17725	1.5
55.01880	1.5
57.03449	9.4
58.00601	3.2
59.01378	100.0
61.98826	6.3
65.03962	5.5
67.01898	1.9
69.85007	8.4
71.01381	44.1
72.65505	1.8
72.99300	4.6
73.02942	5.2
75.00869	9.5
83.01381	3.8
85.02934	12.7
85.31408	1.6
87.00877	5.9
89.02446	47.5
95.01372	5.3
97.02940	4.5
99.00884	2.7
101.02441	33.1
109.02956	53.6
113.02454	17.8
116.34004	1.8
119.03524	17.2
122.03785	2.4
125.02428	5.6
131.03479	3.6
135.00841	5.0
135.03017	24.0
136.05270	3.4
137.02461	3.9
137.06108	2.2
139.00371	3.7
140.01157	35.3
143.03471	3.4
149.02376	2.4
149.04544	4.4
153.01929	69.5
154.02287	3.0
155.03510	47.2
156.03880	2.3
161.04558	11.0
163.11343	2.0
165.09174	3.4
167.07024	1.9
168.00629	2.2
179.05659	8.6
191.05733	2.7
191.10760	12.1
194.09558	2.2
209.11803	17.7
211.04250	2.8
214.04155	1.6
221.11774	3.1
239.12895	36.3
240.13254	3.0
300.19495	1.7
312.23901	1.7
317.08676	11.7
318.08905	2.2
331.13910	4.6
339.14407	4.0
357.15576	9.1
359.09747	7.0
371.16858	1.7
399.12827	2.7
401.18103	52.1
402.18323	5.6
461.12946	26.9
461.20206	18.1
462.13092	3.9
462.20660	2.8
480.71439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38844	1.0
55.01876	1.3
57.03467	1.7
58.00599	3.2
58.76309	0.8
59.01383	69.5
60.01706	1.3
60.23705	0.9
61.98836	10.1
62.12041	0.9
63.00596	0.9
69.03461	7.5
71.01387	79.0
72.01729	1.0
72.32900	0.9
72.99307	3.9
73.02951	13.1
74.53777	1.0
75.00845	1.7
81.03472	4.9
83.01407	5.5
85.02953	9.0
87.00876	4.1
89.02450	100.0
90.02763	1.2
95.01405	3.4
97.02947	12.0
99.00880	13.9
99.04533	1.8
101.02451	20.5
102.37696	0.9
107.01429	1.0
111.00883	2.0
112.66860	0.9
113.02459	9.5
115.03986	6.5
119.03491	3.7
122.25912	0.9
125.02451	49.4
126.02835	1.7
127.04001	1.5
131.03505	15.5
143.03487	3.9
149.04561	20.9
151.00345	2.0
154.87022	1.1
155.10811	0.9
161.04568	4.6
167.10780	96.2
168.11090	6.2
173.04460	1.1
191.05608	10.4
205.39417	1.1
227.03601	1.4
233.04312	1.9
233.06673	37.6
234.07047	1.8
241.01508	1.6
242.02118	2.4
243.02986	5.1
255.02951	2.6
257.04608	1.3
270.01724	3.4
271.02463	7.0
283.02570	1.7
285.04068	3.5
293.08804	79.5
294.09125	6.1
298.01315	1.2
298.04758	2.4
299.02005	5.9
299.05026	1.4
300.02786	3.4
313.03568	3.4
314.04413	6.1
315.05048	5.4
328.05792	1.1
341.06537	2.0
443.22879	1.2
461.11227	15.4
461.23431	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20418	1.5
58.00592	2.4
58.36238	1.2
59.01382	100.0
61.98837	25.1
69.03475	1.8
71.01385	52.3
71.62912	2.1
72.99310	5.8
73.02952	5.6
75.00875	16.4
76.11411	1.5
76.70776	1.4
83.01385	2.5
85.02956	8.9
87.00842	3.2
89.02448	57.0
91.01891	8.6
93.03485	4.1
95.01389	4.8
97.06559	1.5
101.02444	30.9
108.02177	2.2
109.02979	2.4
113.02444	18.3
113.03149	2.2
117.07087	2.2
119.03506	24.4
125.02440	3.4
131.03487	3.6
135.00851	10.4
137.02441	5.7
143.03484	5.6
149.04555	3.9
152.01187	4.3
153.01952	3.2
153.45116	1.5
159.08237	3.4
161.04564	6.8
163.06203	1.6
165.09180	3.6
167.03491	32.8
175.51328	1.6
179.05627	13.3
237.15030	1.8
239.12851	2.3
281.13992	3.7
339.14456	21.9
340.14932	2.3
357.11166	3.4
357.15567	61.7
358.15811	7.0
389.21869	3.2
401.18137	7.8
461.07071	2.8
461.12393	8.0
461.19916	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
59.01381	100.0
61.98832	5.6
69.03466	1.6
69.66984	8.5
71.01382	53.2
72.99316	4.4
73.02938	8.6
75.00873	27.3
81.03458	1.2
83.01397	3.1
85.02953	10.7
87.00851	2.4
89.02446	72.9
95.01382	2.6
95.05073	1.2
97.02968	2.4
99.00893	12.5
101.01785	1.7
101.02444	32.7
109.02968	2.0
113.02453	17.8
117.07081	1.8
119.03489	13.6
119.11826	1.2
123.04517	1.6
124.01598	1.9
125.02443	8.2
131.03484	10.1
133.02899	1.5
137.02431	2.2
143.03493	3.7
146.04556	2.5
147.06607	1.6
149.04550	25.1
149.99570	3.5
151.34715	1.1
161.04549	9.4
163.06187	1.6
168.00626	5.2
179.05626	11.9
191.05591	5.6
191.10603	1.6
213.52295	1.3
221.06552	1.3
251.07735	2.9
263.56247	1.3
269.10236	2.9
305.13702	1.3
315.08615	2.5
329.16058	4.7
339.14377	13.5
340.14972	2.5
357.15594	35.9
358.15906	2.7
401.18546	3.0
402.18854	1.5
407.27368	1.4
461.13196	9.0
461.20258	34.6
462.13626	1.5
462.20667	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91787	1.3
54.62174	1.4
55.01882	3.3
57.03448	4.0
59.01382	77.6
61.98827	4.2
70.04112	5.7
71.01386	44.0
72.99292	2.0
73.02944	16.2
83.01396	8.3
85.02952	25.2
85.18983	1.4
87.00871	3.3
89.02440	7.5
93.03466	4.0
95.01382	4.2
97.02927	2.0
97.35931	1.4
99.00880	6.7
101.02444	41.5
102.02738	1.6
103.03999	4.5
113.02446	17.5
119.03465	2.1
125.02447	8.7
131.03517	27.0
143.03526	2.3
149.04550	1.8
152.23199	1.3
159.03008	4.9
161.04567	26.9
163.06131	4.2
231.88298	1.4
247.08202	2.0
269.10300	100.0
270.10739	6.8
294.12228	1.5
297.62061	1.3
307.10312	6.1
314.42221	1.3
389.21600	1.7
401.14468	19.4
402.14685	2.9
461.12689	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
54.81618	1.0
57.03453	2.3
58.00597	2.2
59.01381	84.0
59.63910	1.1
61.98838	7.1
63.96241	2.4
69.03465	3.0
69.90491	5.6
71.01389	35.2
72.99310	4.8
73.02945	18.0
74.99093	1.3
75.00877	2.7
77.61035	1.1
80.69992	0.9
83.01394	2.9
85.02959	13.4
86.00091	1.4
87.00886	10.8
87.04524	3.1
89.02449	27.0
90.02802	1.1
93.03483	1.4
95.01376	1.7
97.02914	1.1
99.00903	2.9
101.02443	27.2
103.04030	4.9
107.05054	1.3
108.02165	1.3
109.02978	12.3
111.00895	2.7
113.02450	11.4
115.04021	4.2
117.97307	10.3
119.03487	11.9
123.04533	3.4
125.02474	5.7
131.03510	11.9
134.03773	1.3
135.03032	5.5
135.04527	33.3
136.04837	1.7
137.02444	4.4
138.05641	14.1
140.01161	8.3
143.03505	13.5
145.02934	2.1
145.05069	1.5
149.04547	2.3
150.03276	1.2
152.01250	1.3
153.01959	16.6
153.05588	3.4
155.03494	12.9
161.04556	5.5
163.06158	4.2
168.00662	2.1
179.05630	6.1
201.09201	1.0
205.07170	10.0
211.04395	3.0
218.23878	1.0
221.11781	1.6
247.90361	1.1
264.06671	1.0
298.03540	2.4
300.12418	1.2
308.99551	1.1
315.10971	3.3
317.08841	3.7
339.14383	5.6
357.15546	14.7
359.09744	1.1
401.18250	1.6
461.16745	100.0
462.17017	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03241	0.5
59.01390	6.0
61.98827	1.2
70.95167	0.7
70.95501	1.2
71.01394	4.0
75.00890	0.7
83.01392	0.6
84.06982	0.6
85.02948	4.3
85.12009	0.5
87.00895	0.6
89.02477	1.5
93.03485	1.2
101.02448	1.8
108.02181	61.0
109.02994	7.7
113.02459	1.2
119.03397	0.6
121.02986	0.5
131.32248	0.5
134.03700	0.6
135.56699	0.6
137.02417	3.7
152.01166	100.0
153.01685	4.7
155.03423	0.6
163.04024	3.2
177.01942	1.5
205.07198	2.5
207.02965	1.5
217.21994	0.5
225.56523	0.5
312.76068	0.6
312.79938	0.6
315.07239	1.8
377.77237	0.6
418.65527	0.6
423.11581	0.7
461.13004	99.1
462.13293	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.9
56.63482	1.6
57.03448	3.1
59.01096	2.9
59.01386	52.3
69.03446	3.3
69.53352	10.9
71.01386	48.5
72.99289	2.0
73.02952	13.0
74.03268	1.6
83.01387	6.2
85.02960	19.8
86.33946	1.7
87.00863	2.9
89.02444	24.3
95.01399	1.8
97.02945	2.6
99.00885	4.4
101.02443	39.0
111.00879	4.8
113.02455	16.5
115.03958	2.6
118.63535	2.0
119.03504	2.1
125.02441	5.8
131.03502	13.8
143.03484	4.6
149.04529	8.8
159.03033	4.2
161.04579	14.2
177.09140	1.8
184.22043	1.8
233.06531	2.4
269.10254	26.9
270.10471	2.0
278.40717	1.6
293.08685	3.2
293.81625	1.7
309.09695	1.8
401.14514	100.0
402.14771	10.6
413.94962	1.9
461.20169	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	461.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.6
57.28205	2.6
59.01382	32.9
69.59400	18.9
71.01380	48.6
73.02959	18.0
80.34500	3.0
83.01381	7.1
85.02949	26.3
89.02431	7.2
99.00866	6.2
101.02451	35.6
107.48193	2.8
113.02437	18.4
125.02420	3.2
159.02968	5.1
161.04581	23.8
165.86342	3.1
201.62939	3.4
201.65088	2.7
249.16415	3.1
269.10297	100.0
270.10544	10.4
305.20279	3.1
401.14523	54.1
402.14923	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03380	0.5
59.01290	7.2
59.01626	1.4
61.98748	1.1
61.99047	0.5
69.80380	2.5
71.01288	3.2
73.02869	1.0
79.01830	0.4
85.02869	0.7
87.00796	1.0
89.02343	3.5
89.35229	0.4
98.20606	0.7
99.00823	0.6
101.02339	1.8
105.03371	0.7
107.01318	0.5
108.02151	0.5
113.02405	1.1
116.14133	0.4
121.02847	1.0
123.04441	0.6
125.02384	1.0
131.03391	0.7
132.02052	1.3
133.02927	2.1
134.03758	3.1
135.00835	0.6
137.02379	0.9
147.04430	1.4
149.02448	2.1
149.04456	0.5
150.03098	0.6
161.02292	1.4
161.04402	1.5
163.00371	2.9
164.01033	0.8
165.01770	1.6
167.10675	0.6
177.01970	0.6
189.01833	0.5
191.03433	1.3
201.01797	0.8
214.02565	0.5
224.04654	0.5
225.05406	0.6
227.03328	0.7
229.05049	0.7
233.04309	0.6
236.92923	0.4
239.09128	0.5
239.12820	1.9
241.01447	3.3
241.05005	2.0
242.02142	1.0
243.02721	0.6
245.00861	1.4
253.05008	0.9
254.05533	0.8
255.02948	2.0
263.12842	0.5
269.04538	3.3
270.01636	3.1
270.05200	1.5
271.02377	1.6
273.07828	0.5
283.02316	0.7
284.03244	1.2
285.04059	1.2
293.08807	0.8
296.03363	0.8
297.04034	14.4
297.07443	0.7
298.04810	89.3
299.01926	2.1
299.05243	9.3
308.03201	1.2
309.04031	3.3
310.04416	0.9
311.05621	0.9
313.07175	13.0
314.07507	0.9
323.05618	1.6
326.04318	6.8
327.04724	1.3
330.03961	0.5
341.06653	100.0
342.06973	11.6
353.06705	2.2
371.07654	4.5
383.07724	0.6
461.11145	33.7
461.21292	0.9
462.11450	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	460.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29697	0.3
59.01382	3.0
61.98832	100.0
69.83273	2.1
71.01388	1.2
75.00851	0.6
79.19648	0.4
89.02469	1.0
93.03464	0.7
94.78754	0.5
96.97000	0.6
98.20637	0.5
101.02465	0.5
104.28387	0.4
108.02194	1.4
109.02957	0.7
119.03513	0.5
137.02438	2.3
140.01172	0.6
142.20467	0.4
152.00111	0.4
152.01147	2.6
155.03610	0.6
208.06331	0.4
244.38005	0.4
274.43741	0.4
311.25592	0.4
320.13882	0.5
331.41278	0.4
432.95883	0.4
461.12781	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	460.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70076	8.8
61.98834	100.0
84.36543	8.7
88.44953	8.0
94.29873	7.6
114.82657	9.1
173.92946	8.7
186.30634	9.9
229.49532	11.1
351.42029	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	461.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03377	0.6
59.01284	6.6
59.01617	1.5
59.10436	0.4
61.98745	1.1
61.99015	0.5
65.00244	0.4
69.41484	4.1
71.01290	3.2
72.70110	0.5
73.02868	0.9
73.04475	0.4
75.00809	0.5
77.03887	0.6
80.16506	0.4
80.56201	0.4
83.01301	0.6
85.02856	1.2
87.00806	1.0
89.02339	2.5
95.01292	0.5
99.00818	0.6
101.02337	1.6
101.02910	0.4
105.03384	0.9
107.01292	0.6
113.02355	1.1
115.06883	0.4
119.03461	0.6
121.02888	1.0
125.02386	0.7
132.02068	1.2
133.02858	1.7
134.03613	2.7
135.00786	0.6
147.04378	1.7
149.02487	2.2
149.04420	0.9
156.28880	0.5
161.02336	1.1
161.04468	1.2
163.00407	2.5
163.04042	0.4
164.00978	0.8
165.01796	1.6
175.00304	0.4
176.01115	0.5
186.03206	0.6
189.01788	0.8
189.05408	0.7
201.01904	0.7
214.02658	0.6
225.05537	0.9
227.03410	0.9
229.05054	0.5
233.06512	0.7
239.12756	1.8
241.01501	3.3
241.04922	1.3
242.02028	1.7
243.02867	0.5
245.00888	1.1
253.04955	1.1
255.02835	2.2
268.03830	0.6
269.04483	2.0
270.01752	2.5
270.05090	2.1
271.02353	2.0
271.84473	0.5
281.04437	0.6
282.01511	0.5
284.03232	1.5
285.03882	1.0
293.08777	0.6
296.03165	0.9
297.04065	14.9
298.04816	82.1
299.01932	2.8
299.05222	10.1
308.03214	1.3
309.04050	2.4
310.04727	0.8
311.05692	0.8
313.03650	0.5
313.07156	13.4
314.07565	1.0
323.05423	1.1
325.03711	0.5
326.04285	6.6
330.03955	0.8
339.05188	0.7
341.06674	100.0
342.06992	12.8
353.06668	1.8
353.95044	0.4
354.06912	0.5
371.07767	4.8
372.07886	0.6
461.11166	33.3
461.21170	1.1
462.11447	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	461.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29691	0.2
55.95697	0.3
59.01385	2.9
61.98824	1.0
63.02424	0.6
65.00067	0.3
65.00360	0.4
69.45342	0.6
69.45757	1.6
71.01389	1.2
73.02953	0.3
75.00876	0.3
77.92229	0.3
80.40794	0.2
85.02950	0.3
89.02461	0.4
98.12624	0.2
98.19922	0.5
101.02444	0.7
107.01382	0.5
113.02386	0.3
129.65465	0.2
132.02199	0.4
145.02956	0.9
147.04480	0.3
151.00395	1.0
161.04477	0.3
183.04575	0.5
221.85600	0.3
227.03500	0.8
241.01537	0.4
242.02043	0.3
244.21581	0.3
255.02995	87.2
256.03394	8.1
268.03775	1.2
269.04529	4.3
270.01917	0.4
270.04883	0.4
271.02420	0.3
281.04602	0.8
283.02493	61.3
284.03122	12.7
285.03949	3.1
295.02560	0.3
297.04056	13.9
298.04800	17.4
299.02075	0.8
299.05527	9.2
300.06009	0.6
307.08374	0.3
313.03552	3.7
314.03937	0.5
327.05042	0.6
341.06635	0.9
401.21622	0.4
446.08557	19.2
447.08908	2.5
461.10925	100.0
462.11267	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	459.297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25672	0.8
56.45417	0.7
57.03475	1.1
58.79219	0.7
59.01388	14.4
61.98852	0.8
69.03473	1.3
70.04708	1.3
70.05106	3.4
71.01389	16.5
73.02954	26.0
75.00854	1.2
83.01400	3.3
85.02949	2.0
87.00889	1.2
95.01361	1.1
97.02961	4.5
101.02452	100.0
102.02760	1.9
113.02457	4.1
115.04021	0.9
125.02439	4.0
130.59056	0.8
131.03506	8.8
143.03499	2.3
146.40947	0.8
155.03508	1.3
165.42360	0.7
255.23317	18.2
256.12387	0.8
256.23456	1.0
269.24948	5.5
277.21701	1.8
459.27264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01380	8.6
61.98834	4.5
67.47038	0.8
69.80866	0.8
70.16836	0.8
74.67359	0.9
79.80472	0.9
81.03457	28.4
83.05028	69.5
84.05358	2.2
89.21592	0.8
97.06588	1.0
99.08092	1.1
101.06081	15.1
109.06609	2.0
111.04521	1.5
111.08142	1.3
116.92836	1.2
121.02931	1.2
125.09737	1.6
126.79143	0.9
127.04028	2.9
127.07655	2.9
127.11272	0.9
129.05605	2.1
136.01651	1.8
145.05066	23.9
151.04005	1.4
151.07555	1.0
157.12352	1.7
171.10358	1.5
173.09691	1.1
181.82278	1.0
191.10738	1.1
201.09200	2.7
217.08672	1.1
234.29659	0.9
245.08084	2.0
287.22250	3.5
313.23828	5.6
331.24908	27.9
332.25214	3.8
362.57523	0.9
441.28577	2.1
455.91211	1.1
459.29596	100.0
460.29999	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	459.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01726	0.8
61.98838	1.5
69.86481	3.9
83.05029	1.0
104.69528	0.7
119.03362	0.7
149.06096	1.1
173.09697	0.7
188.97726	0.7
253.30309	0.8
347.87289	0.7
369.20908	0.8
459.33487	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	459.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92479	2.0
57.03445	5.4
59.01381	100.0
61.98590	1.8
61.98833	17.7
65.00293	2.4
69.03455	2.6
69.94465	7.6
69.94875	3.8
70.60076	2.0
78.79771	1.9
83.05026	4.6
85.02935	3.6
86.37456	2.0
93.22266	2.2
97.06600	4.8
107.05032	2.8
111.08171	5.3
121.02851	2.6
123.08142	4.1
125.06071	2.2
125.09716	19.9
167.06956	2.0
173.08209	2.8
173.11803	11.5
187.09729	11.8
201.09232	6.3
215.12772	5.1
217.12381	1.9
223.13484	4.1
223.17056	3.4
249.11295	4.4
387.79837	2.7
441.28430	2.4
459.19449	3.1
459.29742	59.4
460.30075	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	459.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67006	0.7
51.61942	0.6
59.01381	100.0
60.01700	1.2
69.51852	1.4
69.52261	3.7
73.00323	0.7
78.92242	0.6
84.26413	0.6
103.34074	0.6
112.87212	0.6
120.90224	0.7
152.40779	0.8
152.47595	0.7
175.36974	0.7
186.00941	0.6
222.42569	0.6
441.22452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2758
Annotation	Spongianolide A
Peak:m/z	Relative Intensity
52.17574	0.7
59.01385	100.0
61.98826	3.7
64.01475	0.7
66.26280	0.7
70.01560	2.8
70.01947	1.5
79.67443	0.7
88.62113	0.7
266.12222	0.8
287.22430	1.9
372.65891	0.7
433.22327	0.8
459.27664	2.6
459.33612	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	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
62.16732	0.2
63.85080	0.2
68.27352	0.2
70.31378	0.3
70.31732	0.7
72.76254	0.2
76.64855	0.2
86.11160	0.2
106.04224	0.2
107.05026	28.2
108.05367	0.9
123.89107	0.2
147.08138	0.6
163.11284	100.0
164.11610	6.0
169.62091	0.2
192.68878	0.2
203.43492	0.2
238.09952	0.5
265.12061	0.2
280.14749	0.6
283.17029	23.8
284.17368	2.4
295.17010	13.3
296.17377	1.7
459.29034	69.0
460.29382	14.9
479.96759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
56.18642	0.5
57.03465	0.9
59.01381	100.0
60.01713	1.5
61.98832	19.1
69.03455	1.1
71.01385	15.1
71.62453	0.7
72.01717	0.7
73.02939	2.8
74.95887	0.5
83.01398	1.3
83.05029	0.8
85.02960	4.5
89.02453	7.9
90.66207	0.5
95.01407	0.9
97.02973	1.1
99.00884	2.2
101.02435	7.9
101.02975	0.7
107.34209	0.5
109.06585	0.6
111.04529	0.7
113.02449	4.8
119.03522	1.8
121.02919	0.5
125.02425	2.6
131.03528	1.0
137.02415	0.8
137.06093	0.6
143.03467	0.9
146.08315	0.7
149.04565	1.1
151.67392	0.5
159.03027	0.7
161.04576	6.2
164.04906	0.7
165.12862	4.3
179.05594	1.1
179.61679	0.6
180.32959	0.6
181.05116	0.9
191.05666	0.5
213.57231	0.5
223.13390	0.7
233.06638	1.1
293.08713	2.4
327.18219	2.0
349.85123	0.5
399.23746	4.5
400.24252	0.8
459.21899	7.1
460.21887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	1.0
61.98837	3.9
71.63734	0.8
74.97783	0.7
81.54859	0.7
83.05055	1.5
85.06597	0.7
93.11756	0.6
99.08173	3.4
109.15546	0.7
121.03011	0.8
121.87035	0.8
125.09727	1.7
127.07666	3.3
127.11276	5.0
136.01610	1.0
143.10738	1.3
145.08710	16.7
146.09088	1.0
155.10779	1.5
157.12361	3.1
162.00883	0.8
163.04060	0.7
165.09114	0.7
171.10278	1.3
173.11856	1.2
201.11331	0.9
294.21777	0.7
295.22729	1.3
303.21667	1.2
309.21121	0.8
313.23807	8.9
314.24210	1.0
329.23215	3.6
331.24887	55.2
332.25220	6.6
407.47400	0.9
459.33276	78.7
460.27881	1.1
460.33713	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	459.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98827	1.6
69.87693	5.2
71.01360	1.3
78.95906	3.1
84.89636	1.2
98.20506	2.4
99.06194	1.1
125.06108	1.3
152.99564	3.9
185.00761	1.3
195.86894	1.3
245.11906	2.0
255.23099	1.9
269.24792	1.2
271.69882	1.2
279.67276	1.4
362.52750	1.2
399.25519	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27069	0.9
55.01866	3.5
57.03434	3.5
58.00593	2.8
58.30613	0.7
59.01382	86.4
60.01702	1.5
61.98835	6.4
64.60110	0.8
69.03448	3.7
69.49104	6.5
71.01385	100.0
72.01727	1.6
72.99307	3.4
73.02951	29.5
74.03269	1.5
75.00862	2.4
81.03442	2.2
83.01386	11.0
83.05019	3.6
85.02953	31.0
87.00878	3.5
89.02444	66.7
90.02784	2.2
95.01399	5.0
97.02953	6.3
97.06595	14.7
98.19820	0.9
99.00885	21.7
99.04526	1.7
101.02448	53.6
102.02767	1.0
109.06592	10.1
113.02452	30.3
114.02780	1.3
115.04005	3.7
119.03457	2.8
125.02454	20.2
127.03957	1.5
131.03494	13.3
143.03491	5.3
149.04558	35.1
150.04950	1.7
159.02995	6.2
161.04553	40.2
162.04945	1.9
165.12843	49.2
166.13217	2.6
185.36501	0.9
191.05623	12.4
205.03447	1.1
215.05626	1.0
233.06657	21.5
240.04367	1.2
251.07721	1.8
265.35446	0.9
293.08789	30.3
294.09094	2.2
327.18115	14.0
328.18533	1.4
399.23883	1.6
459.22311	55.6
460.22571	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	458.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.53073	1.1
59.01386	100.0
60.01731	5.8
61.98836	40.4
61.99329	1.4
63.60428	1.0
63.96433	1.0
67.58461	1.0
69.41756	3.7
69.42196	4.9
83.05017	2.0
85.41660	1.0
89.02459	3.7
91.04023	13.0
111.08157	4.6
112.08509	1.4
125.09644	1.4
128.92110	1.0
145.02950	2.0
149.06047	1.1
156.41328	1.1
173.08191	3.0
187.09871	1.2
215.36606	1.0
249.22258	11.5
258.49042	1.1
293.21265	7.9
311.22293	7.5
314.33380	1.3
367.24838	2.3
385.26013	5.4
423.17883	2.4
458.28210	9.6
459.28226	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	459.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49482	0.5
59.01376	8.2
61.98822	0.9
65.00329	0.9
65.03961	4.3
67.01888	2.5
69.25109	0.7
69.36815	3.1
69.37241	2.1
71.01377	4.8
73.61913	0.6
81.36885	0.5
83.01378	0.8
85.02959	0.9
89.02457	3.4
91.01896	24.5
92.02200	0.6
93.03476	0.7
95.01383	0.5
97.02937	0.8
98.19897	1.1
99.00942	0.8
101.02421	3.5
102.58050	0.5
109.02954	41.5
110.03294	1.8
113.02436	2.2
119.03517	1.2
121.02923	2.7
133.02884	0.6
135.00885	75.3
136.01205	2.5
143.03487	1.3
148.01627	0.8
149.02399	1.0
151.92435	0.5
153.01936	100.0
154.02304	3.3
161.04555	1.7
167.03531	1.7
175.04016	1.6
177.01935	6.6
179.05620	0.9
191.03506	7.4
195.02979	3.4
221.06726	0.8
243.02986	0.7
261.04120	0.9
270.01666	0.7
271.02435	0.8
279.04971	3.2
296.51645	0.6
297.05997	12.7
298.06418	1.5
313.03494	0.7
314.04279	1.2
432.26590	0.6
459.11420	9.3
459.20737	1.0
460.11801	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	459.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44670	1.9
59.01384	100.0
59.12019	1.6
60.01713	2.8
60.99337	2.0
61.98832	19.0
69.79549	4.0
69.79958	7.4
71.01394	15.0
73.02944	4.5
73.07314	1.8
73.11935	1.8
83.01360	2.3
85.02964	5.3
87.37794	1.8
89.02444	10.0
91.20338	2.3
98.20570	2.4
98.40157	1.8
101.02456	11.4
113.02460	4.7
140.42859	1.7
161.04564	7.1
162.47308	2.2
165.12813	2.7
167.03525	1.8
178.12459	2.2
195.13860	2.7
223.13425	12.2
256.50165	1.9
306.18204	2.0
327.18274	3.4
393.97321	2.3
399.23718	8.5
423.22821	2.8
459.20142	15.1
460.21118	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	459.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	6.4
58.34497	2.3
59.01379	100.0
60.01707	2.8
61.98818	9.6
62.84771	2.8
67.50591	2.4
68.19188	2.2
69.03461	3.5
70.00185	2.3
71.01337	2.5
71.05009	3.5
71.63085	3.0
79.53594	2.2
83.05016	3.3
94.64510	2.2
97.06592	3.4
99.08169	2.5
107.05022	2.8
108.02190	3.0
114.01335	2.3
117.03439	5.2
119.05001	5.7
120.26321	2.1
121.02918	3.7
123.04494	3.5
125.06059	2.8
135.04507	4.4
137.56000	2.1
145.02951	19.7
145.10258	2.1
146.03339	2.9
149.06053	4.2
149.09651	3.1
155.08672	3.8
158.07327	3.2
159.08167	5.2
163.03992	5.6
163.07640	2.7
169.12300	6.4
171.08145	3.5
171.09937	2.4
173.06122	2.3
173.09680	18.4
175.11275	27.8
177.01888	3.4
186.06825	4.0
187.03819	2.5
191.10806	13.5
191.83714	2.3
194.44914	2.3
197.08275	3.3
201.09219	17.7
207.10329	3.0
217.08751	11.0
219.10254	18.4
233.08238	2.4
245.08148	8.1
261.07596	5.9
263.09198	19.5
271.02411	3.8
299.01944	9.7
300.02313	6.1
301.03027	4.4
369.20688	4.0
385.59335	2.7
415.20993	13.6
459.20102	48.0
459.26578	4.9
460.20554	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	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69739	0.4
57.03472	0.5
59.01380	8.5
61.98833	100.0
63.73644	0.5
71.01372	3.2
71.65034	0.7
72.99322	0.9
73.02959	1.4
85.02971	1.6
89.02461	2.5
99.00910	0.6
101.02444	2.6
113.02441	1.5
119.03485	0.7
123.04553	0.6
124.96040	0.5
125.02455	1.9
137.02489	0.7
149.02496	0.7
161.04591	1.4
168.00630	0.8
176.01035	0.6
302.73541	0.5
414.10376	1.4
458.14035	1.0
463.54150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06338	0.8
59.01381	100.0
60.01722	6.3
61.01794	1.1
61.98833	45.4
69.34460	8.4
98.19875	1.6
102.53696	0.9
151.11395	0.9
151.15309	0.9
287.22495	2.0
358.36655	1.0
459.27243	2.9
459.33411	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	458.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03907	1.8
59.01381	100.0
60.01720	4.0
60.65784	1.7
61.01792	2.1
61.98830	70.5
65.83559	2.1
71.30344	3.2
72.74088	1.8
83.05025	2.2
121.92624	2.0
122.83025	2.1
130.51558	1.8
145.02960	6.0
145.08693	6.8
271.02570	2.6
284.85727	2.1
299.02011	3.4
311.11160	2.1
399.30283	1.9
402.49957	2.3
458.26749	3.9
459.33438	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	458.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.3
59.01395	2.1
59.01645	0.3
61.98833	100.0
64.25493	0.4
69.42387	1.6
69.42812	1.8
71.01382	1.0
74.99104	0.6
85.02970	0.5
98.20564	0.8
99.04545	1.4
101.02452	0.9
108.02174	0.4
113.02445	0.6
123.00958	0.4
125.02471	1.5
136.04128	0.4
137.02414	0.6
148.01663	2.2
149.02422	0.4
149.06065	1.9
150.06430	1.4
151.04012	3.7
152.04396	2.5
165.37845	0.4
168.00668	0.9
169.73904	0.4
176.01172	3.2
177.01965	1.2
203.10828	0.7
237.09525	1.1
458.13705	0.8
459.09460	2.3
459.15414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03497	0.5
59.01385	8.2
61.98836	100.0
71.01383	2.6
71.63297	0.5
73.02946	0.6
76.64854	0.4
78.22427	0.5
79.63623	0.5
83.05057	0.6
83.45030	0.5
85.02984	1.4
89.02465	3.0
95.01377	0.7
101.02485	1.8
109.02969	0.6
113.02440	1.2
113.57026	0.5
114.29455	0.5
119.03504	1.2
120.99563	0.5
123.04607	0.5
124.04108	0.5
125.02480	2.0
137.02435	0.6
137.09753	0.5
148.02380	0.6
149.99652	0.5
151.21684	0.4
161.04636	1.4
163.04099	0.5
168.00691	1.0
237.11665	0.5
237.14613	0.6
418.49927	0.5
450.02704	0.6
458.13718	0.7
459.14536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01390	3.0
60.95102	0.4
61.98835	100.0
71.01396	1.3
72.05906	0.3
72.99326	0.8
83.01378	0.3
85.02951	0.7
89.02466	0.8
98.19811	0.7
101.02481	0.5
108.02195	0.6
109.02966	0.4
123.65936	0.4
125.02464	0.7
151.04102	0.6
152.01212	1.2
161.04631	0.6
221.77426	0.4
311.65982	0.4
317.55133	0.5
459.15384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	22.4
59.01383	32.7
61.98835	100.0
62.98542	1.8
69.98100	3.1
69.98512	5.0
71.01389	12.1
72.99303	1.8
73.02943	2.9
75.00867	3.1
83.01398	1.8
85.02962	5.6
87.00877	2.5
89.02467	8.4
93.03436	2.3
99.00889	2.3
99.04528	24.2
101.02447	16.5
106.99377	1.6
108.02190	3.7
109.02975	4.3
111.00948	1.8
113.02455	5.2
114.02854	1.6
119.03538	2.2
119.09399	1.4
121.02987	1.4
123.04504	1.8
125.02448	14.1
129.01955	2.0
135.04568	2.0
143.03516	2.0
145.00024	1.4
149.02420	1.8
151.04051	8.4
151.24664	1.3
152.01140	3.1
153.01976	6.3
153.05602	1.7
161.04559	4.7
177.04068	3.1
223.72774	1.7
251.11369	13.2
281.14005	2.5
293.12518	10.5
297.09576	2.0
315.07266	3.4
333.15598	3.2
351.16791	1.6
370.61298	1.5
376.66791	1.5
395.15564	19.6
396.15793	2.2
458.17258	1.9
459.18378	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	457.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.0
59.01379	9.2
59.02203	0.4
61.98830	0.8
69.03479	0.6
69.46637	2.4
71.05019	0.5
75.18699	0.4
80.02702	0.4
81.03503	0.4
83.05013	1.2
85.60108	0.4
91.82399	0.4
95.05035	1.7
97.06593	15.6
99.08179	0.5
106.34419	0.4
123.08160	8.2
125.09724	80.9
126.10071	3.4
141.12819	0.7
143.10822	2.1
147.63652	0.4
151.65428	0.4
169.08687	1.7
169.69710	0.4
173.11821	0.9
187.09753	30.5
188.10127	1.4
221.19148	0.8
247.13078	0.5
269.21280	4.4
270.21683	0.5
287.22281	28.7
288.22641	2.9
294.81357	0.4
395.31674	1.3
439.30573	3.1
440.30972	0.6
457.31699	100.0
458.32053	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	458.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.12722	0.7
55.13461	0.6
57.03446	1.8
59.01368	5.4
61.98831	16.0
63.81601	0.7
69.45172	5.6
71.01387	8.3
73.02942	3.0
75.00873	1.5
78.95911	0.9
81.03446	1.6
83.01372	1.2
84.04517	1.6
85.02961	5.3
87.00887	1.5
88.04044	21.5
89.02442	2.4
93.03445	2.9
95.01400	2.6
96.96965	2.2
98.02486	2.5
99.00860	1.5
100.04054	0.8
101.02435	5.4
108.02179	54.6
109.02970	34.1
110.03284	0.9
111.00877	0.9
112.04047	8.1
113.02480	3.9
116.92847	1.5
121.02945	3.0
123.00860	2.1
123.04585	1.8
125.02417	3.0
128.03496	0.9
130.05103	13.4
135.04515	1.1
137.02441	1.4
151.04008	4.3
152.01155	75.7
153.01950	30.2
154.02200	0.9
160.06145	0.9
161.04581	1.6
163.03970	3.5
163.06065	0.9
165.01945	2.5
167.03534	0.8
177.01932	1.1
179.03447	0.9
188.64999	0.8
195.02863	1.0
214.56943	0.8
219.02928	0.9
271.63397	0.9
296.05554	1.1
297.06183	5.9
315.07205	27.7
315.10913	1.4
316.07599	2.3
398.17569	0.9
398.22220	0.8
428.06329	1.6
428.11972	26.6
429.12042	3.6
458.12988	100.0
459.13824	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	457.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01379	100.0
60.01733	0.9
61.98823	4.1
68.84270	0.8
80.49702	0.9
83.04969	0.9
91.91679	0.8
98.01674	0.8
98.16322	0.9
108.02184	0.9
110.61011	0.9
117.03469	1.9
119.05037	2.3
129.96321	0.8
139.11070	0.8
145.02965	6.0
151.00320	0.9
163.04050	1.9
179.07146	1.2
229.93550	1.1
243.02863	0.9
250.08818	1.0
271.02402	2.0
294.00266	0.9
299.01910	4.5
300.02722	1.2
312.75848	1.1
437.12289	1.4
441.05643	1.0
442.13013	1.0
457.26685	2.2
457.32040	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.78735	1.7
68.69089	1.7
71.63619	2.0
82.80556	1.4
84.92884	1.8
87.93781	1.6
89.32494	1.7
96.37357	1.7
109.40468	1.6
153.72133	1.8
159.48819	1.8
283.20724	1.9
290.92902	1.7
338.14920	1.9
397.33035	2.7
457.35501	3.1
458.36243	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81527	0.7
57.03440	1.0
59.01383	100.0
59.54149	0.6
60.01712	1.9
61.98833	9.3
68.27940	0.6
69.36412	6.1
71.01402	1.6
73.02966	1.7
90.55412	0.6
97.06587	1.5
99.00896	1.9
110.59518	0.7
117.01974	1.0
119.08622	0.6
121.56608	0.7
150.82770	0.6
173.11911	0.7
187.09688	0.6
197.02541	0.7
207.66908	0.8
221.19202	1.2
237.97760	0.6
262.12103	0.8
294.43283	0.7
295.22772	3.1
313.23996	2.5
357.22919	3.2
457.26230	2.5
457.31909	5.3
458.17535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08111	0.6
57.03434	1.1
59.01381	100.0
60.01722	1.8
61.98837	7.9
62.94139	0.6
67.96595	0.6
70.21027	2.8
71.01402	1.0
71.51907	0.7
73.02965	0.8
74.77757	0.6
83.05056	0.8
91.55146	0.7
94.13828	0.7
94.40283	0.6
95.05007	0.7
97.06593	1.2
99.00893	1.8
109.06551	0.8
111.00748	0.7
123.04552	0.9
125.09724	0.9
137.02357	0.8
143.41969	0.7
151.09120	0.7
153.01932	0.8
160.08049	0.6
163.07643	0.8
173.11942	0.8
198.65396	0.6
201.12874	1.1
205.12396	1.4
221.19247	1.3
287.22443	0.8
295.22858	2.3
313.24026	3.1
327.18158	0.7
357.22864	2.7
360.39127	0.7
398.36575	0.7
401.85043	0.8
416.59647	0.7
457.25873	4.1
457.31982	4.9
458.26294	0.8
458.32288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09691	0.6
56.27084	0.5
57.03457	5.9
57.60874	0.5
59.01381	26.1
61.98822	1.2
67.92024	0.6
69.03474	0.6
69.54861	3.5
83.05013	1.5
95.05009	1.0
97.06595	14.3
97.07190	1.1
98.19898	1.3
105.70036	0.6
110.78332	0.6
118.73379	0.6
123.08173	6.7
125.09729	90.4
126.10071	4.3
143.10762	1.8
154.65945	0.5
169.08719	2.5
187.09761	39.3
188.10077	2.2
230.76183	0.6
269.21228	12.2
270.21570	1.5
272.77762	0.6
287.22281	12.6
287.25476	0.7
288.22809	1.4
395.31851	0.7
439.30841	3.3
457.31729	100.0
458.26535	0.7
458.32037	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24113	0.2
57.03453	4.7
59.01388	3.7
61.98832	4.6
63.43053	0.3
70.23055	0.8
71.01389	1.0
73.02946	0.6
78.60108	0.2
83.01399	0.3
84.17192	0.2
85.02940	0.6
89.02466	1.0
89.03003	0.3
91.01901	1.0
91.97792	0.2
93.03468	0.9
93.77562	0.2
98.19884	0.3
99.04528	3.4
101.02459	1.6
103.04020	0.5
108.02177	0.7
111.59807	0.3
113.02438	0.3
116.51159	0.2
119.01395	0.4
119.03529	0.3
121.02982	1.4
122.03754	0.8
125.02450	2.7
131.03491	0.3
131.05032	0.3
137.02490	1.1
147.04556	0.9
148.05344	2.1
149.06090	100.0
150.06433	5.0
151.04016	14.7
152.04384	0.9
161.04520	0.4
163.06165	0.5
163.07635	0.7
168.00662	0.4
182.00555	0.2
254.89978	0.2
255.63350	0.3
281.06702	0.4
307.10266	0.3
388.77499	0.3
457.17688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
58.00590	2.1
59.01091	2.5
59.01378	42.2
61.98833	10.0
71.01382	38.2
71.43474	2.0
72.99313	2.1
73.02942	20.4
75.15181	1.2
78.95907	3.9
83.01394	13.2
85.02954	19.2
87.00858	2.2
89.02445	10.4
92.58043	1.4
96.96954	4.1
97.02952	2.0
99.00883	6.9
101.02441	37.5
102.46870	1.4
103.03999	4.6
106.95447	1.7
113.02456	17.1
119.03504	4.1
125.02428	6.2
131.03442	1.5
143.03491	5.0
156.57426	1.3
159.03014	3.6
161.04564	18.9
163.06113	8.6
193.25264	1.6
205.07144	2.1
223.47459	1.6
229.07098	1.8
247.08165	2.9
251.11327	40.4
260.11032	1.3
265.12863	6.6
272.08615	1.3
397.17102	100.0
398.17487	12.1
441.16061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03461	0.8
59.01385	100.0
60.01716	1.2
60.40015	0.3
61.98836	2.5
69.03485	0.5
71.01387	9.3
71.01760	0.6
72.89036	0.3
72.99308	0.5
73.02959	2.6
81.03444	0.3
83.01391	2.0
85.02956	3.8
87.00884	0.9
89.02457	5.4
95.01412	0.9
97.03017	0.6
99.00917	1.0
101.02450	7.3
101.03063	0.4
109.03001	1.2
113.02457	4.1
119.03497	2.3
121.03014	0.6
123.00976	0.4
125.02436	1.9
131.03572	0.4
137.02461	0.7
138.03294	0.6
138.79228	0.3
139.04047	1.0
143.03539	0.7
149.04559	0.5
159.03040	0.9
161.04575	9.0
163.07715	1.2
164.01187	0.4
165.02007	0.9
177.05739	0.4
179.05646	1.1
187.50558	0.3
219.06668	0.4
221.04617	0.6
237.42210	0.3
263.05618	0.4
311.15323	0.7
325.16791	1.6
397.22342	9.8
398.22910	1.1
399.59598	0.5
403.59863	0.4
457.18716	5.2
458.19690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.3
59.01382	23.0
61.98838	15.5
69.03465	2.6
69.50157	3.7
71.01389	26.3
72.99307	1.6
73.02953	4.5
75.00878	2.0
81.03461	1.4
83.01398	2.5
85.02958	3.8
87.00889	2.3
89.02450	34.9
91.05539	3.0
95.01409	1.0
97.02950	3.8
99.00891	6.0
99.04498	1.0
101.02457	7.1
101.03976	8.1
109.02951	0.7
111.00872	1.0
113.02447	2.9
115.04018	3.0
117.03473	4.1
118.03826	0.6
119.05032	100.0
120.05362	5.1
123.04507	0.7
124.01723	0.8
125.02460	15.8
126.02797	1.0
131.03520	4.3
135.04533	1.1
143.03526	1.2
145.03189	0.6
149.04576	5.7
150.00203	6.7
161.04568	1.2
163.02669	1.2
163.04013	12.4
164.04391	1.3
166.05118	0.7
169.01436	0.8
191.05597	3.4
210.04219	0.8
222.26129	0.5
233.06660	17.5
234.07011	0.9
264.65292	0.5
293.08838	10.6
369.91803	0.6
407.72003	0.7
457.07388	1.3
457.13446	20.4
458.13922	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	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19811	0.7
54.12575	0.7
55.01867	0.9
56.46576	0.7
58.00584	1.8
59.01381	40.6
61.98828	19.7
67.01896	2.1
71.01382	24.6
71.62073	0.8
71.62423	1.0
72.01727	1.0
72.99310	3.9
73.02959	1.1
75.00865	3.3
78.90242	0.8
81.03464	1.5
83.01401	2.3
85.02951	5.9
87.00870	4.6
89.02444	29.0
93.03456	3.2
95.01403	1.3
96.35239	0.8
97.02932	1.0
99.00898	1.8
99.49150	0.9
101.02447	16.0
111.00887	3.4
113.02443	8.5
119.03508	14.6
119.04965	5.1
121.06616	1.9
123.00880	2.3
124.01686	1.6
125.02425	4.4
131.03494	1.6
131.05017	2.1
137.02435	10.1
138.03206	3.4
139.00452	1.5
139.07710	0.9
143.03558	2.2
144.57048	0.8
147.04504	11.8
149.04564	1.3
149.99533	0.9
151.00320	0.9
152.01118	1.2
153.01964	2.5
153.05525	6.2
155.03444	0.8
159.04543	4.7
161.02551	1.0
161.04550	1.9
165.01939	2.1
168.00584	4.4
175.04007	12.6
179.05551	1.2
187.04031	2.6
189.05482	1.1
191.03378	0.9
193.87891	0.8
202.81393	0.8
203.03496	53.2
203.90013	0.9
204.03850	4.1
211.04338	1.0
217.01398	1.0
217.05022	2.0
218.05840	30.8
219.02986	5.3
219.06139	2.8
232.03810	1.3
233.08177	100.0
234.08511	9.4
247.02472	41.8
247.06271	1.6
248.02725	2.9
251.09273	1.6
261.04071	2.4
262.04816	75.6
263.05130	6.5
267.54840	0.9
277.07166	87.2
278.07535	6.7
413.14532	3.5
457.10065	3.7
457.17487	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	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07021	0.5
59.01387	1.9
61.98832	100.0
71.01385	2.4
71.62561	1.2
75.00877	1.2
77.67312	0.5
88.73493	0.6
89.02467	2.0
96.95998	0.7
98.02476	0.8
101.02446	1.6
109.03014	0.6
119.05030	3.5
125.02478	1.9
136.07582	0.5
163.04070	0.8
269.83145	0.5
293.08783	1.0
437.77274	0.6
457.14063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28581	0.4
57.03453	0.4
59.01382	2.8
61.98831	100.0
63.99820	0.4
69.72178	1.7
69.72579	0.8
71.01393	2.5
76.77538	0.4
77.98729	0.4
82.97775	0.4
87.00876	0.5
89.02439	2.3
99.00909	0.7
99.04536	0.4
101.02453	1.0
101.04024	0.5
113.02494	0.6
119.03532	0.7
119.05022	3.6
125.02470	1.7
136.38499	0.4
137.02449	0.5
148.04121	0.7
155.25076	0.4
163.04076	0.5
163.32544	0.4
164.32135	0.3
166.05133	1.6
190.34377	0.4
210.04083	0.9
218.68672	0.4
248.58907	0.4
277.07175	0.7
285.53598	0.5
315.00967	0.4
329.87967	0.4
456.10867	0.9
457.13708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78114	0.5
59.01141	0.5
59.01384	5.9
61.98837	4.4
65.00343	0.7
71.63013	0.5
72.99312	0.6
81.03502	0.5
83.01392	0.9
83.05016	1.0
85.02946	0.9
85.70532	0.5
86.76408	0.5
89.02437	0.5
95.05034	0.8
101.02408	0.6
107.01392	2.1
109.02930	0.5
109.06614	0.6
109.95685	0.6
119.05031	0.7
121.02943	0.7
125.02468	1.7
132.02170	1.4
135.00893	1.3
136.73132	0.5
137.02419	1.0
143.05046	0.6
149.14154	0.5
151.00375	2.5
163.00342	1.1
168.00616	1.4
169.01436	0.9
171.04533	1.0
175.11273	0.6
183.04509	1.6
211.04012	1.6
227.03517	41.5
228.03937	2.9
239.03551	0.6
255.02997	72.0
256.03485	9.8
257.04385	1.2
283.02441	7.3
284.03275	100.0
285.03983	39.0
286.04376	2.6
288.04709	0.5
339.05176	1.9
413.08755	16.4
414.09161	1.9
457.07806	26.9
457.16904	2.6
457.25278	0.8
458.08115	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	455.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79607	0.5
56.51601	0.6
56.99581	0.5
58.00386	0.6
59.01380	100.0
59.68102	0.5
60.01430	0.6
60.01719	2.3
61.95462	0.6
62.09922	0.6
83.92663	0.6
95.85639	0.6
98.19903	1.6
98.58326	0.5
137.19273	0.6
154.46851	0.5
171.94737	0.7
176.83026	0.8
183.42920	0.6
237.71649	0.6
298.95569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81151	0.8
59.01380	100.0
60.01696	1.0
61.98821	1.4
62.47569	0.8
69.79818	0.7
71.28921	1.2
71.29263	1.3
193.44011	0.7
194.57001	0.7
297.68884	0.8
392.61798	0.9
455.30023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22288	0.6
57.03447	5.2
59.01380	7.2
61.98824	1.4
69.03455	1.2
70.67829	0.7
71.64163	1.1
79.88764	0.8
90.22002	0.7
95.05022	2.0
97.06594	14.0
111.08180	1.3
123.08170	9.6
125.09727	85.7
126.10059	2.6
139.11317	1.0
143.10718	1.6
155.14433	0.9
159.10289	0.9
160.84094	0.9
162.83961	1.4
169.08672	2.5
187.09758	34.5
188.10114	2.0
227.20232	1.2
238.71103	0.7
265.21698	0.8
267.19678	1.7
285.20703	35.9
286.20926	3.6
313.24225	1.4
321.91647	0.9
356.49411	0.9
393.30212	2.2
437.28958	3.4
451.39828	0.7
455.02002	2.1
455.30093	100.0
456.30502	15.8
468.24167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3379
Annotation	oscr#35
Peak:m/z	Relative Intensity
50.81437	1.0
54.11007	1.3
59.01374	4.0
61.98824	1.3
62.24958	1.2
72.99316	15.1
88.16507	1.4
92.44746	1.1
98.00092	2.4
98.20657	2.5
125.26431	1.1
133.58804	1.3
165.19385	1.2
181.82353	1.1
185.82281	1.2
229.21735	1.8
349.34750	52.5
350.35172	7.6
365.34003	5.4
375.32715	1.8
380.29599	1.4
383.82626	1.4
393.28989	2.4
393.33774	36.4
394.34283	5.6
411.34836	20.8
412.35193	3.0
437.26495	2.2
437.32681	56.4
438.33075	7.0
455.33783	100.0
456.34116	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	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98833	100.0
62.87183	0.3
62.98530	0.5
63.99260	1.2
71.01403	0.9
89.02436	0.5
101.02449	0.6
105.48756	0.3
114.49842	0.3
114.52776	0.3
117.03483	0.3
123.00880	0.3
128.92838	0.3
135.04532	0.3
152.90205	0.3
168.00632	0.3
229.26544	0.4
245.36624	0.3
264.15259	0.3
282.05365	0.4
283.06168	1.2
311.05661	3.0
314.04428	0.6
457.11093	1.6
465.12781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72535	0.4
59.01381	100.0
60.01717	1.2
61.98838	1.6
71.30527	0.6
71.30888	1.1
83.05022	0.4
125.09732	0.6
133.58870	0.5
137.25145	0.5
137.43634	0.5
153.09204	0.6
163.36049	0.5
174.60530	0.5
455.31641	1.0
455.65973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
58.89931	1.6
59.01381	61.6
61.98829	35.3
69.92127	10.5
71.01380	31.1
73.02941	15.0
83.01386	12.5
85.02950	18.5
89.02464	3.4
95.01377	2.9
99.00887	5.6
101.02449	43.9
103.04023	1.8
108.02148	1.8
109.02911	1.7
113.02461	13.9
127.77566	1.7
138.26826	1.7
159.02968	3.6
161.04539	13.8
249.10799	3.9
249.13411	76.6
250.13672	5.6
267.19830	1.8
395.19193	100.0
396.19543	13.8
455.20377	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37732	0.6
55.01861	0.7
57.03449	1.7
59.01385	100.0
60.01706	1.1
61.98840	7.7
69.33424	1.4
69.33829	4.4
71.01389	17.3
71.38825	0.6
73.02962	3.8
76.56572	0.6
83.01402	3.2
85.02953	5.4
87.00880	1.1
89.02453	13.3
95.01415	0.9
96.96030	0.8
98.20651	1.4
99.00918	1.8
101.02457	12.5
101.63017	0.8
109.02972	2.0
111.00921	1.6
113.02459	8.6
113.80140	0.8
119.03505	4.7
122.03863	0.6
123.04536	1.4
125.02465	1.3
131.03514	1.1
137.02483	1.9
137.09738	1.8
138.03346	0.7
143.03514	1.5
149.04697	0.8
149.06133	2.1
151.04030	1.0
159.03058	1.7
161.04565	8.6
162.85355	0.7
163.11316	1.0
165.01961	1.0
179.05667	2.3
183.45108	0.6
205.05064	1.1
215.14514	1.2
233.15494	0.9
289.07114	0.9
293.14206	0.8
308.15787	0.6
311.37839	0.6
323.15057	5.1
367.19550	0.7
402.73871	0.7
455.16922	6.6
456.17563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65915	0.9
51.70702	0.9
57.20439	1.0
58.00574	1.6
59.01381	40.7
61.98831	6.7
65.12822	0.9
71.01385	38.1
71.62045	2.3
72.99297	2.1
73.02945	17.8
75.00859	2.1
75.59292	1.0
85.02968	4.7
87.00879	6.4
89.02444	68.8
90.02799	1.3
93.56715	1.0
96.96941	2.0
97.02969	0.9
99.00884	35.3
100.18702	0.9
101.02444	22.0
113.02465	5.8
119.03519	2.1
125.02457	4.8
131.03511	7.4
131.07155	3.5
137.02420	1.4
138.05539	1.1
143.03461	1.5
149.04556	23.7
160.67946	1.0
161.04559	3.6
191.05603	10.0
221.06552	1.7
244.79457	0.9
251.07779	2.2
277.81067	1.0
299.07669	1.0
323.13379	1.0
455.17673	100.0
456.18045	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	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83289	1.7
52.92186	1.7
52.95558	1.8
55.01866	2.2
57.03439	3.0
59.01095	4.0
59.01376	59.9
61.98829	42.1
69.41357	11.2
69.41765	4.7
71.01385	29.8
73.02952	16.6
74.66679	1.7
77.51744	1.7
81.35279	1.8
83.01393	10.7
85.02954	19.1
87.00878	2.7
89.02444	4.6
94.39681	1.7
94.90501	1.7
97.02962	3.2
99.00873	6.4
101.02440	46.4
101.59879	1.8
103.03978	2.2
106.38096	1.9
108.02203	2.5
110.45654	1.8
113.02444	15.0
125.02422	2.0
158.46432	2.0
159.03014	3.8
161.04529	13.1
163.06078	2.8
201.63556	2.5
242.46800	2.0
249.13429	78.3
250.13780	5.2
395.19189	100.0
396.19510	8.9
456.15704	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	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61255	0.3
57.03443	0.6
59.01386	2.3
61.98837	100.0
71.01418	0.4
71.18429	0.5
71.18768	0.4
73.02941	0.4
83.05055	0.5
85.02972	0.5
96.45683	0.5
98.77171	0.3
119.05048	0.4
123.04553	0.4
143.77121	0.4
159.34386	0.4
173.09653	0.6
189.05692	0.4
193.68736	0.3
195.19182	0.3
217.08752	0.5
225.24408	0.4
234.73399	0.4
242.51884	0.3
247.00595	0.4
308.10071	0.4
455.20889	0.6
455.26144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01376	4.2
61.98832	100.0
71.01374	0.8
71.62825	1.0
83.05019	0.7
94.02058	0.6
96.63651	0.6
97.09090	0.7
121.06634	1.3
123.04517	0.7
128.03526	3.3
148.05287	1.0
152.39961	0.7
235.16364	0.8
237.14899	0.9
290.10437	0.9
308.31628	0.7
335.50885	0.8
395.19659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84740	1.0
55.08535	0.9
57.80920	1.0
58.00590	2.1
59.01380	42.5
61.98838	11.2
70.38422	3.7
71.01383	38.1
71.35836	0.9
72.99316	3.7
73.02947	17.2
75.00874	1.5
78.95921	1.5
85.02961	4.6
87.00863	4.5
89.02447	69.8
90.02770	1.6
96.34701	1.0
96.96989	1.2
99.00877	36.9
101.02441	22.4
109.02932	1.2
110.06149	2.2
112.02948	0.9
113.02466	7.5
113.03197	1.3
119.03551	2.4
123.04538	1.2
123.44808	0.9
125.02449	6.4
125.83848	1.1
131.03519	9.6
131.07141	1.5
136.36998	0.9
136.99185	1.4
137.02481	1.2
138.05597	1.2
143.03526	1.2
149.04556	25.8
161.04597	2.6
161.08136	1.3
179.05611	1.1
191.05600	10.2
238.01645	1.1
251.07721	1.6
290.46545	1.1
455.17682	100.0
456.12076	1.7
456.17993	11.9
476.91251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
58.00585	2.2
59.01384	39.6
60.01697	0.8
61.98830	1.6
69.52242	4.0
70.96316	0.6
71.01388	37.2
72.01702	0.9
72.99300	1.6
73.02950	15.5
73.96146	0.6
78.95921	0.8
83.01379	1.1
85.02951	3.5
87.00877	2.2
89.02448	71.3
90.02734	0.9
95.96468	0.6
96.96976	1.8
98.19913	1.5
99.00887	34.2
99.08147	1.2
100.01236	1.3
101.02449	21.0
109.02940	0.7
113.02450	3.3
119.03484	1.6
125.02445	4.0
131.01482	0.6
131.03506	9.5
133.36400	0.6
149.04558	26.5
150.04839	0.8
161.04562	2.0
161.08177	1.3
191.05630	10.2
214.96725	0.7
221.06691	1.9
251.07713	1.2
341.54959	0.8
455.17715	100.0
456.18015	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	454.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
59.56406	0.4
60.01722	0.6
61.98831	100.0
69.46776	1.8
69.47202	2.1
71.01373	2.7
72.99338	0.5
73.02951	1.5
74.13780	0.4
83.01380	0.9
85.02969	1.6
89.02466	0.7
95.68023	0.5
99.00903	0.7
100.86539	0.4
101.02425	4.3
103.04020	0.5
113.02476	1.1
123.63187	0.4
124.34229	0.5
127.70290	0.4
144.51749	0.5
159.02974	0.4
161.04591	1.2
184.77713	0.5
220.30388	0.5
223.23438	0.5
243.49135	0.4
249.13416	5.9
394.24377	0.9
395.19168	9.6
479.20529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
61.98830	100.0
69.44923	3.9
71.01393	1.2
85.02998	0.7
97.02937	0.6
98.20523	1.3
101.02455	1.0
109.02996	0.7
109.05338	1.5
109.37010	0.7
110.06099	1.3
118.06618	1.7
121.05325	4.9
122.06122	2.5
123.06894	1.4
139.06406	1.5
146.06125	11.0
149.97922	0.6
207.49507	0.6
213.10371	1.5
226.07468	1.0
226.12300	0.8
227.08287	3.1
241.09824	7.1
242.10507	2.2
245.07098	0.6
255.11366	5.7
267.11438	1.7
268.12128	1.8
269.12979	2.7
270.13663	2.4
271.10907	1.3
285.09448	0.6
285.12476	0.9
286.13174	5.6
288.11090	1.1
300.11105	2.8
302.12640	1.8
314.12860	1.0
318.12259	3.0
380.19739	2.1
392.19925	5.7
393.20035	0.7
410.21030	2.9
424.18866	0.8
436.18845	1.9
454.19830	62.6
455.20276	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	454.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.6
59.01380	4.8
61.98829	100.0
62.48701	0.4
65.08150	0.4
68.04201	0.4
69.73281	1.9
71.01373	2.7
73.02956	1.2
73.71894	0.4
83.01415	0.5
85.02966	1.7
89.02463	1.3
93.03449	0.5
101.02455	2.0
109.02950	0.4
113.02459	1.1
124.01677	0.9
125.02492	2.6
126.02787	0.7
134.03824	0.4
137.02478	0.5
137.66470	0.5
149.99594	2.0
161.04562	0.6
164.60292	0.5
168.00626	2.4
169.01126	0.4
173.45464	0.5
188.60878	0.4
192.70432	0.5
213.41325	0.4
255.10289	1.0
256.10693	1.1
263.15036	1.8
296.32455	0.5
322.19760	0.9
395.19336	1.9
418.82043	0.6
454.09573	2.6
454.24002	1.7
455.11862	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	454.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14678	0.2
57.15292	0.2
59.01377	3.3
61.01808	0.4
61.98830	100.0
62.98540	0.3
63.99268	0.4
68.16396	0.2
69.40750	1.3
69.41176	1.0
71.01395	0.8
78.66398	0.3
80.95406	0.3
89.02457	1.0
90.02803	0.3
101.02455	0.8
113.02463	0.5
131.03465	0.3
149.04584	0.5
179.05482	0.3
203.68875	0.2
266.19775	0.3
392.23935	0.3
394.18011	0.5
394.24152	0.8
424.85400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07397	0.7
56.41553	0.6
59.01381	10.5
60.01714	1.9
61.01818	1.7
61.98833	100.0
63.99252	1.5
69.39032	5.0
71.01389	1.3
85.02944	0.7
101.02468	0.8
108.02147	0.7
174.28703	0.7
193.98131	0.7
249.13503	0.7
266.99628	0.7
330.35266	0.7
394.24396	1.0
395.18954	0.8
454.20422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27256	2.8
50.32558	2.3
55.64783	2.5
59.22804	2.4
60.59744	2.7
61.98841	3.6
67.15932	2.4
70.20055	11.4
83.42114	2.3
158.91899	2.6
172.14444	2.8
198.10469	2.5
358.20847	2.8
363.36328	16.5
365.34399	6.2
391.35959	9.9
409.36890	86.1
410.37271	12.5
417.33762	13.3
418.34546	4.6
435.34921	22.8
453.35995	100.0
454.36130	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03447	1.7
58.00592	1.4
58.32177	0.4
58.85101	0.4
59.01383	42.6
60.01720	0.5
60.09058	0.5
61.98833	100.0
62.98541	1.1
63.99257	5.3
69.03459	0.8
69.60455	1.2
69.60866	2.1
70.89700	0.4
71.01387	36.9
72.01724	1.2
72.98921	0.6
72.99318	2.1
73.02953	5.7
80.98392	0.5
83.01386	2.7
85.02953	9.3
85.03436	0.6
86.03315	0.8
87.00887	2.5
89.02448	45.6
90.02763	0.8
95.01394	1.3
97.02980	0.6
99.00906	1.8
101.02447	21.6
102.02835	1.1
111.00888	0.4
113.02451	12.3
114.02840	0.8
119.03501	10.8
124.01743	1.0
125.02464	4.0
130.06659	0.8
131.03506	9.2
142.06607	2.7
143.03508	1.7
149.04556	15.5
149.99585	1.4
160.07690	2.4
161.04550	3.2
162.04865	0.5
165.01939	0.6
168.00659	3.9
173.10976	0.5
179.05602	3.2
191.05624	3.7
195.06660	1.1
227.18761	0.5
233.06837	0.6
261.59604	0.6
263.15134	1.3
321.19174	2.4
322.12961	36.7
322.18881	5.0
323.13184	4.1
323.20340	0.7
345.41156	0.6
395.18982	0.8
451.48471	0.7
454.17258	20.4
454.23682	2.0
455.12024	4.5
455.17685	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03447	1.7
58.00592	1.4
58.32177	0.4
58.85101	0.4
59.01383	42.6
60.01720	0.5
60.09058	0.5
61.98833	100.0
62.98541	1.1
63.99257	5.3
69.03459	0.8
69.60455	1.2
69.60866	2.1
70.89700	0.4
71.01387	36.9
72.01724	1.2
72.98921	0.6
72.99318	2.1
73.02953	5.7
80.98392	0.5
83.01386	2.7
85.02953	9.3
85.03436	0.6
86.03315	0.8
87.00887	2.5
89.02448	45.6
90.02763	0.8
95.01394	1.3
97.02980	0.6
99.00906	1.8
101.02447	21.6
102.02835	1.1
111.00888	0.4
113.02451	12.3
114.02840	0.8
119.03501	10.8
124.01743	1.0
125.02464	4.0
130.06659	0.8
131.03506	9.2
142.06607	2.7
143.03508	1.7
149.04556	15.5
149.99585	1.4
160.07690	2.4
161.04550	3.2
162.04865	0.5
165.01939	0.6
168.00659	3.9
173.10976	0.5
179.05602	3.2
191.05624	3.7
195.06660	1.1
227.18761	0.5
233.06837	0.6
261.59604	0.6
263.15134	1.3
321.19174	2.4
322.12961	36.7
322.18881	5.0
323.13184	4.1
323.20340	0.7
345.41156	0.6
395.18982	0.8
451.48471	0.7
454.17258	20.4
454.23682	2.0
455.12024	4.5
455.17685	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	453.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.0
57.03448	6.8
58.00592	5.7
59.01382	100.0
60.01716	1.9
61.98833	4.2
69.03474	2.0
69.48991	5.3
71.01385	97.1
72.01745	1.6
72.83250	0.7
72.99311	7.2
73.02952	18.5
73.03342	1.3
75.00884	1.8
83.01388	13.2
84.02208	0.6
85.02953	32.4
86.00079	1.1
86.03307	1.1
87.00867	6.3
89.02449	72.9
90.02788	1.0
95.01402	6.8
97.02976	2.3
99.00882	7.0
99.04530	0.9
101.02448	68.8
102.02818	1.4
111.00904	2.0
113.02457	37.0
114.02792	0.9
114.37843	0.7
115.04012	0.9
119.03506	30.3
125.02460	2.6
129.01929	1.1
131.03503	4.0
135.04553	2.3
141.01912	0.7
143.03490	7.3
149.04579	3.4
149.99667	0.6
151.07681	3.3
159.03009	4.3
161.04561	17.1
162.04947	0.9
164.08429	6.5
165.09209	0.8
167.03436	0.8
175.07657	1.0
179.05632	8.4
255.17514	1.2
268.50763	0.7
273.18555	3.1
275.16495	1.7
291.19586	13.7
292.20129	1.2
293.21121	0.7
309.20740	1.9
321.19208	10.8
322.19455	1.1
425.25827	1.8
435.23935	2.8
453.24869	95.4
454.25195	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07648	25.7
73.60142	27.1
94.63050	23.7
96.95953	27.8
99.92626	29.3
109.47346	28.1
168.35403	33.6
205.12241	40.5
207.17351	23.9
453.31799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28719	1.7
57.03461	1.7
59.01403	2.5
61.98822	1.9
70.65666	6.0
91.52951	1.7
95.30975	1.7
112.68603	2.0
119.76730	2.1
166.92076	4.2
168.66856	1.8
180.88762	2.1
303.23532	4.0
347.33109	12.1
365.34225	100.0
366.34610	17.3
369.06985	2.6
391.35992	4.1
409.33081	72.3
410.33603	14.1
453.31082	11.6
453.36179	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	453.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
60.07299	16.5
61.98819	67.2
70.08637	75.2
77.23861	16.9
80.02228	20.6
98.20510	36.2
110.12566	16.9
123.42902	19.3
137.02452	25.6
181.86406	21.3
307.78546	22.4
425.16028	36.0
453.29282	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	453.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65094	1.0
55.01872	2.8
55.33804	1.2
57.03462	5.0
58.00599	5.4
59.01386	85.9
61.98839	9.3
63.37226	1.0
69.57964	7.7
71.01389	61.8
72.99315	6.3
73.02965	6.5
83.01385	2.9
85.02966	12.9
87.00880	4.3
87.54474	1.1
89.02454	78.6
90.02802	1.1
95.01388	3.2
99.00865	3.5
101.02457	40.1
102.02824	1.1
106.19075	0.9
113.01691	1.6
113.02457	26.5
113.18974	1.1
113.65705	1.1
119.03519	35.3
123.08168	3.9
125.02487	2.4
125.06033	1.7
131.03493	3.6
135.04530	1.2
137.02402	1.7
137.09639	1.1
143.03526	6.2
146.15778	1.1
149.04553	3.3
149.06064	2.5
151.07675	10.9
152.08447	18.5
153.08775	1.8
161.04552	7.1
164.08400	3.6
165.09216	3.1
166.06340	1.3
179.05638	11.1
179.07021	1.7
182.57886	1.0
189.09267	1.8
203.10799	10.1
215.10715	1.8
217.12331	5.1
218.13026	2.9
273.18649	10.4
274.18997	1.5
291.16562	1.8
291.19699	27.0
292.20038	3.4
308.62988	1.1
435.23886	2.6
438.22546	2.9
453.24951	100.0
454.25363	16.1
458.02106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03461	0.4
59.01379	29.5
59.03919	0.3
60.01719	1.9
61.01807	1.7
61.98831	100.0
62.98531	0.6
62.99260	0.4
63.99260	0.8
69.55428	1.2
69.55861	1.3
71.01381	10.9
72.01737	0.6
72.99291	0.5
73.02946	2.9
74.03300	0.4
76.34142	0.3
83.01414	1.0
85.02946	3.2
85.03394	0.4
87.00890	0.8
89.02441	12.9
89.02991	0.7
95.01398	0.6
97.02947	0.5
99.00870	1.6
101.02444	8.2
102.02828	0.6
103.02866	0.3
113.02448	3.8
119.03529	2.8
125.02437	0.9
131.03493	2.3
137.02498	1.3
143.03545	0.8
149.04543	5.9
158.75758	0.3
161.04539	2.6
162.04916	0.9
163.05026	0.8
179.05608	2.7
191.05614	1.3
222.08582	0.3
246.12180	0.3
261.13458	3.4
271.25778	0.3
321.19156	0.8
322.13281	0.4
391.23495	0.6
392.23911	1.2
393.17813	6.4
393.24060	6.0
394.18259	0.7
394.24014	0.5
445.91861	0.3
453.23441	1.1
454.17477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19681	0.3
52.72221	0.3
55.01885	4.2
57.03452	3.3
58.00593	1.2
59.01382	26.3
60.01683	0.3
61.98839	5.5
69.03480	0.6
69.35807	3.2
71.01384	39.1
72.01715	0.5
72.99293	1.9
73.02950	17.7
74.03283	0.4
75.00895	0.7
78.39865	0.3
81.03472	0.5
83.01389	10.3
85.02952	20.9
86.00076	1.6
86.03289	0.4
87.00868	2.3
89.02444	7.7
95.01397	2.8
97.02958	1.5
98.19901	0.7
99.00888	6.7
100.01190	0.4
100.75708	0.3
101.02446	41.4
102.02795	1.0
111.00871	2.8
113.02454	15.6
113.17493	0.4
114.02808	0.4
115.04008	0.4
119.03547	0.6
125.02471	2.2
129.01918	1.6
131.03510	1.7
137.02449	0.4
141.01979	0.9
143.03505	2.4
149.04529	1.3
157.12355	1.3
159.02986	4.2
159.13805	0.8
161.04565	16.7
162.04927	0.5
163.00339	0.4
165.02139	0.4
177.01955	0.4
179.03532	0.4
191.05627	0.4
205.03537	0.4
233.06602	0.8
293.08823	0.4
321.19174	100.0
322.19504	10.9
327.05051	0.6
393.24139	0.6
453.09079	1.1
453.23401	26.9
454.23764	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38816	7.3
56.13366	7.3
57.03456	18.6
59.01381	100.0
61.98835	92.0
71.01384	66.2
71.61772	7.9
72.99313	19.7
73.02955	21.6
81.03468	22.0
83.01389	16.8
85.02961	25.7
87.00892	8.3
89.02441	27.9
93.03469	10.5
95.01383	10.1
97.02918	14.9
98.54230	7.6
99.00872	21.8
99.04547	16.5
101.02438	53.7
108.02189	24.8
109.02966	61.7
110.03267	7.4
111.04476	8.7
111.72347	7.8
113.02449	27.8
119.03493	8.0
121.02965	12.1
123.00771	7.8
123.04504	22.0
124.04920	8.5
125.02456	82.6
126.02819	6.7
129.63574	8.1
133.02939	8.5
135.04492	8.0
137.02466	69.2
138.02808	9.6
139.04016	18.1
149.02422	20.3
151.00385	8.3
151.03996	20.6
152.01125	21.4
153.01964	18.0
161.02419	18.1
161.04565	24.0
163.00394	16.2
164.01137	13.9
164.04782	8.2
165.01947	55.6
166.02455	7.9
167.03496	54.3
177.01910	37.1
177.96420	6.7
179.03537	21.3
179.07123	8.8
181.05080	12.6
188.93265	6.9
195.06682	9.2
197.08165	11.5
203.07118	16.5
205.01453	14.7
205.07381	8.0
206.02153	7.5
219.06564	9.6
220.03491	7.0
221.04677	7.7
247.11949	38.0
278.49646	7.8
289.07227	31.0
290.07422	44.9
291.07791	64.4
301.07059	16.2
305.06689	56.7
309.15451	8.9
331.11874	20.3
333.06165	13.8
363.07245	80.7
376.08142	14.2
393.17673	77.8
394.17941	11.8
417.07925	9.2
422.08759	24.3
453.10468	67.7
453.24045	16.3
454.09732	12.3
457.70334	7.6
461.01993	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	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33689	0.5
55.01871	0.4
57.03460	0.8
59.01382	13.6
61.98832	100.0
62.98543	1.8
62.99253	0.8
63.99256	4.6
71.01389	8.8
71.64556	0.6
72.99310	0.8
73.02950	2.1
83.01408	1.1
85.02966	1.9
85.77043	0.4
85.93058	0.5
87.00891	0.9
87.50602	0.4
89.02448	12.6
101.02449	6.6
113.02464	2.1
116.05145	0.4
118.16065	0.5
119.03516	1.4
123.04572	0.5
125.02471	0.5
131.03482	4.3
149.04555	9.9
161.04605	1.0
179.05664	0.7
183.94591	0.5
183.96483	0.4
191.05627	2.4
232.08331	0.5
261.13623	1.4
321.19293	0.7
393.17618	6.5
394.18536	0.6
403.74869	0.6
416.05695	0.4
438.22623	0.5
453.13681	0.8
453.23862	0.9
454.13745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30628	0.3
52.53743	0.3
52.53986	0.3
55.40658	0.3
57.03439	0.6
57.15421	0.3
57.46143	0.3
57.51680	0.3
58.46061	0.3
58.51273	0.3
59.01367	1.4
61.98840	1.0
70.21260	0.3
70.32226	0.7
70.32608	1.0
72.47929	0.3
73.02914	0.5
78.80894	0.3
78.95910	7.1
84.81326	0.3
90.48788	0.3
140.01222	2.1
152.99599	1.2
153.68744	0.3
162.83670	0.3
171.00623	0.5
196.03769	0.7
214.03012	0.4
214.04839	2.2
255.23299	100.0
256.23636	10.4
306.57211	0.3
330.85959	0.3
343.79886	0.3
393.19730	0.9
397.69104	0.3
409.27682	0.5
452.27869	9.4
453.26376	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	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
59.13105	0.1
59.84978	0.2
62.96396	0.2
70.08439	0.6
74.23658	0.2
78.95905	18.7
85.34986	0.1
106.51809	0.2
122.00137	0.6
140.01190	4.4
152.99577	1.4
196.03799	9.7
214.04839	1.7
237.22169	0.2
255.23285	100.0
256.23636	10.0
298.12564	0.2
391.22458	0.2
452.27805	25.0
453.28137	3.9
460.88382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38404	0.3
59.01372	0.5
60.59692	0.3
65.60428	0.3
70.03197	0.9
70.03601	0.7
71.01383	0.6
78.95906	100.0
85.74171	0.4
88.92193	0.4
89.02490	0.4
94.85661	0.3
94.97613	0.3
96.96061	0.4
96.96966	1.7
101.02415	0.7
110.98535	96.4
111.98875	0.9
125.02405	0.6
125.40152	0.4
137.02443	0.6
137.79630	0.4
179.05621	0.5
341.10870	0.7
431.06616	0.4
453.09854	1.8
464.89047	0.4
472.65134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.6
59.74178	0.4
60.41663	0.4
61.98835	100.0
69.03481	0.6
69.61387	3.1
70.85435	0.4
71.01379	2.1
73.02940	0.5
83.01431	0.6
85.02979	1.1
89.02471	1.8
91.26637	0.4
96.63500	0.5
98.20593	0.6
101.02480	1.3
113.02430	0.5
119.03525	0.6
121.02975	0.6
123.04552	0.4
125.02496	0.7
127.05301	0.4
127.59245	0.4
137.02477	1.0
165.01971	0.7
285.12576	0.8
289.07275	1.1
290.07416	0.7
320.72748	0.5
392.23825	1.4
452.18198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
58.00557	0.3
59.01380	16.2
60.01713	1.1
61.98831	100.0
62.98529	0.7
63.99259	1.5
71.01380	4.4
71.62950	0.5
72.99311	0.5
73.02951	1.4
83.01375	0.4
85.02945	1.7
85.54778	0.3
87.04491	0.4
89.02438	3.8
95.60226	0.3
99.00895	0.6
101.02467	2.8
113.02471	1.0
119.03530	1.2
121.74874	0.3
125.02472	0.4
125.95844	0.3
131.03508	2.2
149.04575	1.6
159.02985	0.4
161.04602	1.3
162.04803	0.4
179.05617	1.1
191.05708	0.6
261.13531	1.1
289.06943	0.4
307.17661	0.8
391.23468	0.5
392.23740	4.0
393.17682	1.7
453.08356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61972	0.4
57.03448	2.6
59.01382	6.8
60.01709	0.7
61.98831	100.0
71.01379	3.4
71.62803	0.7
73.02943	1.2
75.00887	0.6
85.02978	1.1
89.02458	1.2
99.04537	1.7
101.02458	2.5
101.06109	1.1
106.49916	0.5
108.02156	0.8
109.02925	0.7
113.02467	1.2
125.02479	0.9
130.16029	0.5
152.01202	1.1
161.04584	1.1
181.87065	0.5
212.20258	0.5
303.28918	0.6
321.19186	1.8
362.57193	0.5
389.97141	0.6
399.41049	0.6
453.14392	1.2
453.23480	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	452.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98836	100.0
63.99255	0.4
69.42000	2.4
71.01388	1.4
73.02969	0.5
85.02976	0.5
89.02467	0.6
90.89417	0.3
101.02420	1.4
109.02947	0.3
116.83543	0.3
130.43217	0.3
134.79639	0.3
137.02527	0.4
161.04572	0.9
164.67120	0.3
180.04201	0.3
185.98044	0.3
195.06773	0.3
290.07550	0.5
321.19150	1.9
392.23529	0.4
452.33401	1.1
453.23782	0.6
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
50.23159	0.4
59.01380	1.2
61.98834	100.0
69.36974	2.2
69.37389	1.8
71.01389	0.7
81.03448	1.1
83.05046	1.8
84.05363	0.6
89.02483	0.5
94.04787	0.5
98.19852	1.1
102.14551	0.4
124.42235	0.4
225.16104	0.6
251.22044	0.4
321.19412	1.3
337.49792	0.4
373.91696	0.4
392.22906	0.6
427.70029	0.4
451.33130	0.9
452.33258	9.0
453.33786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
61.98833	100.0
69.33216	4.3
71.01386	1.5
73.02940	0.8
85.02969	1.0
89.02442	1.1
89.81115	0.4
101.02477	1.5
113.02459	0.8
125.02468	0.5
146.43993	0.5
161.04611	1.0
249.84006	0.4
321.19391	0.6
349.06345	0.5
452.16837	0.6
453.22940	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	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
61.98832	100.0
64.47322	0.5
68.82526	0.5
69.68910	3.4
71.01389	1.2
73.02953	0.6
83.01419	0.8
85.02962	0.9
89.02471	1.2
101.02428	0.8
113.02493	0.6
137.02463	0.5
338.23361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.98829	100.0
62.01368	0.3
69.32780	2.2
69.33201	0.7
71.01381	0.7
85.02995	0.4
89.02441	0.3
101.02448	0.5
102.04106	0.3
125.02437	0.4
195.10349	0.3
346.06616	0.3
392.23621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38768	0.4
55.57540	0.4
58.86060	0.4
59.01385	5.4
60.44023	0.4
61.98835	100.0
69.03086	0.4
69.03461	0.4
69.62750	2.7
71.01398	1.8
73.02960	0.5
85.02962	0.7
89.02455	1.3
96.95989	0.5
98.20625	0.5
99.05912	0.4
101.02462	1.4
113.02447	0.7
123.00935	0.5
125.02477	1.0
137.02470	1.4
161.02437	0.4
161.04597	1.1
165.01910	0.4
285.12521	1.3
289.07068	0.6
290.07587	0.8
321.19431	0.7
392.23654	1.2
393.24695	0.5
420.43933	0.4
452.18051	0.7
453.23071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.08870	0.4
59.01380	65.7
60.01714	6.3
60.35307	0.3
61.01805	0.8
61.98831	100.0
68.04202	0.3
69.38718	2.9
71.01393	3.7
72.01716	0.6
72.99319	0.3
73.02940	0.9
74.68703	0.3
83.01411	0.4
85.02952	1.3
89.02438	1.7
99.00796	0.5
101.02453	2.4
102.02757	0.7
108.02171	3.2
109.02950	2.0
113.02412	1.3
138.08658	0.3
151.03987	0.4
152.01167	2.5
153.01846	1.1
154.05031	0.7
155.10672	0.3
159.10196	0.3
161.04599	2.0
162.04788	0.6
165.31287	0.4
171.10066	0.4
174.39424	0.3
182.20064	0.3
217.10576	0.3
243.41022	0.4
305.02280	0.4
321.15256	0.7
334.45605	0.3
391.22556	0.4
392.23776	3.4
393.17264	0.4
452.12000	3.2
452.24854	0.6
453.09906	0.8
453.19495	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	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99532	0.4
59.01382	12.2
61.98832	100.0
69.03463	0.5
71.01381	3.5
71.17632	0.6
71.17936	0.6
73.02954	1.3
79.77253	0.5
81.70347	0.5
83.01389	0.5
85.02965	2.3
89.02453	1.9
97.02915	0.5
101.02448	3.6
109.02972	0.8
113.02488	2.5
123.04540	0.9
125.02483	1.6
131.03519	3.9
137.02493	1.6
138.02895	0.6
149.02380	0.6
151.04044	0.9
151.80350	0.5
152.01178	0.9
153.01959	0.5
161.04562	1.7
164.93584	0.5
165.01938	0.6
166.75529	0.5
171.81648	0.6
261.13409	6.6
289.07214	0.8
290.07605	0.7
393.17664	3.5
452.12109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85710	1.0
58.56127	0.7
59.01381	9.5
60.01712	1.5
61.01804	1.2
61.98833	100.0
69.87430	4.3
70.83187	0.9
71.01407	1.1
72.35585	0.7
73.02952	1.3
89.02440	2.0
90.93403	1.0
101.02407	1.5
163.06073	1.4
393.17538	1.1
441.76028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01388	11.4
60.01731	0.9
61.98837	100.0
62.98540	0.6
70.19072	1.0
70.19469	1.0
71.01394	3.7
73.02953	1.4
83.01423	0.7
85.02982	1.7
89.02446	2.3
95.01395	0.6
98.20539	0.6
99.04530	1.2
100.04880	0.7
101.02462	3.3
102.02798	0.4
104.61166	0.4
108.02168	0.6
109.03003	0.9
113.02473	1.0
119.03596	0.7
124.01733	0.4
124.04106	0.5
125.02419	1.9
127.40939	0.4
153.01917	0.8
154.02367	0.5
161.04593	2.3
167.03542	0.5
171.97511	0.5
185.73856	0.4
228.25987	0.4
290.10312	0.4
308.18188	0.6
320.18170	1.3
321.19110	0.8
334.06628	0.4
348.63794	0.4
392.19766	0.5
392.24142	0.8
452.09641	0.8
452.26245	0.6
453.23557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51339	0.4
57.03448	0.6
59.01376	4.4
61.98829	100.0
69.67284	0.9
69.67683	2.7
71.01381	2.9
73.02960	0.7
73.15108	0.6
83.01395	1.9
87.00858	1.1
89.02458	1.6
93.10125	0.5
95.05032	0.6
97.02959	1.2
101.02451	2.7
109.02972	2.9
113.02448	1.0
119.03490	0.5
121.02957	0.6
123.04539	2.0
124.04881	1.1
125.02451	3.0
126.02769	0.8
137.01381	0.7
137.02415	3.9
138.02779	1.2
139.05992	0.7
149.02429	0.8
151.03990	1.1
152.04370	1.0
160.71887	0.5
161.04642	0.8
165.01964	1.3
167.03543	0.6
175.04010	0.5
203.07176	1.1
204.07513	0.9
206.05351	0.6
245.08290	1.1
246.08589	1.3
289.07208	3.1
290.07520	8.2
291.89438	0.5
309.11954	2.1
321.15619	0.6
333.01639	0.5
452.12997	3.1
453.19678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02462	1.2
59.26731	1.0
61.98830	1.2
70.94316	2.6
78.95907	12.1
81.53555	0.9
83.67740	1.1
96.96014	2.6
100.16051	1.1
110.98534	8.3
115.30211	1.1
117.89182	1.2
167.01122	10.9
173.83130	1.3
185.02177	2.0
190.56407	1.0
269.24954	2.2
283.26431	100.0
284.26813	9.4
296.14578	1.1
353.61124	1.2
363.36292	2.7
407.34970	3.7
407.39795	5.0
451.28412	20.3
451.34042	5.2
451.39185	1.7
452.28540	2.1
452.34274	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	452.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92554	0.6
55.01879	2.1
57.03453	2.5
58.00589	0.7
58.47424	0.6
59.01382	100.0
60.01712	4.4
61.98833	39.9
63.99261	2.8
69.03455	2.1
69.49930	5.6
71.01385	23.6
72.01725	1.7
72.99286	1.0
73.02955	10.5
83.01391	4.2
83.05010	0.8
85.02952	12.0
86.03300	1.4
87.00892	0.8
89.02441	7.3
93.03457	3.2
94.03806	1.5
95.01409	2.7
97.02965	1.6
99.00878	3.7
99.04526	1.6
101.02451	23.3
102.02806	2.1
107.01402	0.8
109.02981	1.1
110.09176	0.6
111.00893	1.7
113.02453	13.3
114.02841	1.1
119.03549	1.2
123.00887	4.8
124.01717	9.7
125.02504	17.6
126.02801	8.5
129.01939	1.1
131.03452	0.8
134.03641	0.7
137.02470	7.9
138.02762	3.7
143.03503	2.1
144.03827	0.9
149.04573	1.0
149.98476	1.3
149.99594	13.7
150.99904	7.2
159.03000	3.0
161.04558	16.7
162.04916	3.2
163.00339	0.8
167.03516	0.8
168.00641	24.9
169.00995	13.5
170.01678	1.1
178.02318	0.7
179.03368	0.7
189.01993	1.1
190.02310	1.0
218.01904	0.9
229.18062	1.0
255.10211	1.3
282.07050	1.5
300.86923	0.8
306.59772	0.6
307.17517	0.8
313.05566	1.2
314.05920	1.4
319.40454	0.7
320.17999	1.6
321.19186	18.0
331.06686	2.6
332.07098	4.5
333.07495	0.8
342.06924	2.7
391.23389	22.9
392.23724	25.3
393.23874	1.3
434.08173	1.7
451.21661	1.3
451.33221	2.3
452.09076	65.1
452.21863	4.1
453.09241	8.5
453.23434	9.4
457.20352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35657	0.6
57.03450	0.8
59.01384	4.3
61.74593	0.5
61.98831	100.0
70.95015	1.2
71.01386	1.7
83.01402	1.4
85.02947	1.3
87.00900	0.6
89.02448	2.4
101.02461	1.5
109.02969	2.1
110.03308	1.0
113.02480	0.7
115.13588	0.6
119.03641	0.6
123.04530	0.9
124.04836	0.6
125.02436	2.5
126.02840	0.7
137.02440	1.9
138.02753	0.6
148.15393	0.5
149.02463	1.0
149.04604	1.5
151.00366	0.6
151.03981	0.6
161.02463	0.7
163.00493	0.7
167.03529	0.5
179.03415	0.7
185.71132	0.5
204.07547	0.7
206.05334	0.7
246.08492	0.8
289.07205	2.7
290.07544	6.7
300.63763	0.5
336.02628	0.5
363.07324	0.6
375.68091	0.7
452.10931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
58.64408	0.5
59.01382	3.4
61.98834	100.0
66.97166	0.4
71.01394	2.1
71.61876	0.6
72.99304	0.7
75.00871	0.9
79.27367	0.5
83.01412	2.0
87.00854	0.6
89.02467	1.5
93.03481	0.6
97.02979	0.8
101.02449	1.5
109.02990	2.5
113.02499	0.8
123.04557	2.1
124.04921	0.6
125.02481	5.9
126.02797	2.1
137.02455	12.4
138.02806	6.1
140.07237	0.7
149.02435	0.8
150.03220	0.9
151.04036	2.3
152.04366	1.4
161.02463	0.9
161.04575	0.7
165.01901	0.6
177.01999	0.6
194.11859	0.5
203.07181	1.0
216.03877	0.5
240.34595	0.5
245.08334	0.8
246.08563	0.8
250.36557	0.5
272.06512	1.0
289.07254	2.6
290.07553	5.7
442.74350	0.6
452.12903	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58678	0.6
55.01882	5.4
57.03456	4.6
58.00593	2.0
59.01382	41.7
60.95016	0.6
61.98837	4.3
64.32751	0.8
65.81131	0.5
69.03461	0.9
71.01385	60.5
71.63568	0.6
72.01730	0.6
72.99308	3.6
73.02543	0.7
73.02953	19.7
75.00864	1.5
83.01393	12.9
85.02953	31.4
86.00112	2.5
86.03326	1.0
87.00885	2.8
89.02442	10.5
95.01384	3.6
96.95992	1.0
97.02928	2.1
99.00889	10.4
101.02445	53.3
102.02806	1.3
110.26311	0.8
111.00870	1.7
113.02454	24.3
115.04015	1.0
119.03484	1.0
125.02473	3.2
129.01898	1.9
131.03485	1.3
137.02466	0.7
143.03505	4.2
145.02924	0.8
149.04498	1.2
155.14392	0.7
159.02988	6.0
161.04559	32.6
162.04944	1.1
179.05490	0.7
198.10338	0.8
205.03534	1.4
225.64217	0.7
227.16432	0.7
292.42624	0.7
319.21240	100.0
320.21561	10.7
360.03467	0.7
363.20169	2.8
384.20218	0.7
391.23087	1.9
451.25299	10.3
452.25998	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	451.1252
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
57.03457	6.8
57.27395	1.0
59.01385	64.8
60.44514	1.2
61.98833	15.9
63.02392	1.5
65.00329	1.2
71.01389	14.9
71.63217	1.2
72.99321	1.1
73.02939	4.6
78.56219	1.2
81.03467	5.4
83.01393	13.0
85.02962	5.3
87.00907	1.6
89.02448	9.3
92.37584	1.2
99.00882	2.0
99.04537	3.5
101.02453	13.8
107.01411	2.5
109.02970	7.7
110.03368	1.2
111.03417	1.8
113.02447	5.4
114.60320	1.0
119.03503	3.6
121.02960	1.9
123.04528	36.5
124.04872	2.5
125.02457	41.3
126.02824	1.7
131.03499	1.6
135.00978	1.3
135.04544	2.7
137.02464	3.3
138.70235	1.1
149.02477	2.6
149.04514	1.3
151.00395	6.2
152.00706	4.2
153.00874	4.5
154.01161	2.0
159.03081	1.6
161.04546	7.3
162.05000	1.5
163.04018	2.0
164.00777	1.7
165.00838	1.7
167.03502	100.0
168.03850	5.6
178.99918	2.5
179.03520	1.6
179.05560	1.6
180.00182	1.6
181.00311	2.0
187.03964	1.9
191.03506	2.5
193.17195	1.4
243.06554	2.1
245.03511	3.4
245.08168	3.4
246.04015	1.7
255.02991	4.2
256.03320	7.0
257.01056	1.7
257.03473	9.2
258.03772	4.0
259.04062	2.6
270.18143	1.4
271.02582	3.4
271.06149	9.8
272.00241	1.4
272.02768	7.1
273.03082	17.4
274.03320	12.5
275.03619	9.8
285.02747	1.5
289.07193	80.0
290.07498	7.8
300.02802	3.8
301.03207	12.2
302.03448	30.0
303.03876	36.9
304.03992	34.1
305.04556	21.9
319.17575	2.0
360.41672	1.3
391.23373	18.6
450.24158	1.7
451.10431	67.4
451.25388	6.9
452.10788	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
57.03443	1.0
59.01381	100.0
60.01717	1.6
61.98836	15.2
63.42675	0.7
69.46770	4.1
69.47179	1.5
71.01383	14.7
72.99302	0.7
73.02947	5.4
83.01403	1.9
85.02957	5.9
87.00856	0.9
89.02446	9.3
89.02926	0.9
97.02959	0.7
97.84138	0.7
98.19854	0.8
99.00897	1.9
99.51051	0.6
101.02443	14.3
104.25414	0.6
107.95766	0.7
109.02973	1.2
109.87122	0.7
113.02457	7.5
119.03516	3.2
121.02879	0.7
121.68634	0.6
125.02492	1.8
127.30843	0.6
137.02499	1.2
143.03529	1.4
143.05070	2.7
153.01991	1.1
159.03059	1.3
161.04536	8.2
170.13184	0.5
179.05696	0.9
181.25809	0.6
181.57785	0.7
229.18034	1.0
289.07162	1.5
319.17462	0.7
391.23395	42.4
392.23856	5.5
451.16199	0.6
451.21286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03447	5.1
59.01385	18.9
61.98837	23.4
62.98551	0.7
65.00345	1.0
68.13060	1.0
69.03452	2.0
69.65918	4.8
71.01392	8.4
73.02956	1.8
81.03461	3.6
83.01386	6.5
83.05028	1.1
84.81802	0.8
85.02939	4.4
87.00899	1.0
89.02445	7.4
89.59591	0.8
90.98584	2.6
93.03469	2.5
95.01399	1.7
95.05052	3.4
97.02971	9.9
98.19872	1.7
99.00868	1.0
99.04504	2.1
101.02435	8.3
107.01396	1.6
108.02188	2.6
109.02957	33.1
110.03336	1.3
113.02472	3.8
113.84498	0.8
119.03510	2.2
121.02959	6.2
122.03759	2.2
123.00853	0.9
123.04533	25.1
124.04898	0.8
125.02446	24.8
126.02821	0.8
133.02992	2.3
135.04526	3.6
137.02461	39.2
138.03175	1.1
138.68849	0.7
139.04033	5.2
145.02957	1.1
146.03746	1.7
149.02448	7.5
149.04689	0.7
150.03212	3.1
151.00389	7.1
151.02866	0.9
151.04008	19.1
152.04338	1.2
153.01894	0.8
157.06651	1.1
159.03168	1.1
159.04526	4.3
160.05296	2.3
161.02449	5.1
161.04597	2.9
161.06096	7.7
162.03233	3.2
163.04066	2.7
164.01163	5.4
165.01953	12.0
166.02614	1.0
167.03497	2.9
169.01469	1.4
173.06104	1.2
174.03230	1.1
175.04048	4.6
175.07619	3.2
177.05640	1.1
178.99973	1.0
179.03487	8.9
180.04237	0.9
185.06245	0.9
187.04028	7.1
188.04762	5.9
197.06442	0.8
199.07767	0.9
201.05690	1.2
202.06358	3.7
203.03741	0.9
203.07149	20.7
204.07401	0.9
205.05040	14.3
221.08250	6.0
227.07217	2.4
243.16176	1.6
245.08191	35.6
246.08592	3.2
247.06210	2.4
271.02753	1.0
271.06119	3.0
289.07196	100.0
290.07541	9.5
291.00485	0.8
307.13998	0.9
341.05081	6.1
405.21344	5.1
406.21774	1.1
451.12503	57.2
451.21967	5.8
452.12778	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35843	0.4
54.96503	0.5
57.03450	2.7
57.03714	0.4
59.01388	2.6
59.63251	0.4
61.84309	0.4
61.94939	0.5
61.98828	4.1
69.03449	0.6
69.80835	2.6
71.01369	2.0
72.99297	0.6
73.02915	0.4
81.03463	1.7
83.01380	2.2
85.02943	1.0
89.02441	1.4
93.03442	1.4
94.02991	0.8
95.01375	0.9
95.05029	2.7
95.78237	0.5
97.02959	4.7
98.20592	0.9
98.51102	0.4
99.04534	1.0
101.02430	1.3
106.99654	0.4
108.02155	0.6
109.02954	21.4
110.03273	0.8
113.02464	0.7
119.03545	0.6
121.02962	3.5
123.04519	12.5
125.02447	16.1
133.02975	0.6
135.04500	1.8
137.02460	11.5
138.03236	1.1
139.04030	3.3
145.02930	1.0
146.03755	0.7
147.04451	0.6
149.02417	6.4
150.03204	0.6
151.03990	9.3
159.04498	1.6
160.05293	1.1
161.02478	4.1
161.06071	4.1
162.03188	1.4
163.03986	1.6
164.01167	3.0
165.01921	5.6
167.03455	2.0
168.00656	0.6
173.06068	0.8
175.04007	2.9
175.07669	1.4
177.01776	0.6
179.03474	6.6
180.04108	0.8
185.06252	1.0
187.04005	3.1
188.04762	3.0
189.01968	0.5
189.05276	0.6
191.03491	0.5
195.06502	0.9
199.07646	0.8
201.05551	0.9
202.06383	2.3
203.03435	0.9
203.07114	10.8
204.07407	1.2
205.05054	7.0
206.05214	0.4
209.92056	0.4
212.04810	1.0
217.08601	0.9
218.23790	0.5
219.51987	0.5
221.08159	2.5
221.95036	0.4
225.07870	0.5
227.07138	2.0
230.05765	0.8
231.03000	0.6
245.08167	16.3
246.08516	1.4
247.06050	1.1
248.06253	0.6
253.42145	0.5
271.06091	1.7
289.07169	100.0
290.07535	9.7
299.05698	1.0
313.07187	1.7
316.50009	0.5
331.08224	2.3
355.08307	0.6
451.11136	2.1
451.22150	2.8
452.08087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71079	0.5
55.01872	0.5
57.03441	3.0
58.20415	0.4
59.01382	7.5
61.98830	14.7
65.87302	0.4
67.01901	0.5
69.03454	1.0
70.07150	2.0
71.01384	4.9
72.99305	0.7
73.02925	0.9
81.03446	3.1
83.01385	6.1
85.02955	1.6
87.00903	1.2
89.02459	4.4
93.03466	2.4
95.01389	1.1
95.05024	3.3
97.02943	6.9
99.04511	1.0
101.02442	4.1
101.06076	0.6
103.04089	0.6
107.05025	0.7
108.02184	1.3
109.02950	25.3
110.03313	0.5
111.00894	0.7
113.02434	2.4
117.03436	0.6
119.03477	1.9
119.05030	0.8
120.99677	0.8
121.02971	5.1
122.03753	1.3
123.00941	0.6
123.04527	22.7
124.01656	0.8
124.04834	0.8
125.02446	18.1
126.02791	0.7
131.03487	0.6
133.02959	1.4
135.04492	4.3
137.02441	22.8
137.06036	1.0
138.02916	0.7
139.04024	4.3
141.09215	2.3
145.02908	1.6
146.03700	0.9
147.04466	1.2
149.01280	0.6
149.02441	7.7
149.04385	0.6
150.03189	1.7
151.00400	0.8
151.04019	11.2
152.04597	0.6
159.03381	0.5
159.04480	2.9
160.05273	1.3
161.02454	10.0
161.04649	0.9
161.06059	5.9
162.03238	3.3
162.06349	0.6
163.00401	1.3
163.03992	3.3
164.01108	3.1
165.01936	8.3
165.05562	1.4
166.02689	0.8
167.03513	3.7
173.06065	1.1
174.03204	0.7
175.03970	3.4
175.07628	1.9
177.01901	1.4
177.05579	2.0
179.02023	0.7
179.03500	7.7
179.05725	1.0
180.04135	0.7
181.05035	0.9
185.06111	0.9
185.08130	0.6
187.04030	5.1
188.04764	4.2
189.01909	1.3
189.05556	1.1
193.05083	0.7
199.07568	0.7
201.05560	1.8
202.06340	1.7
203.03436	1.3
203.07138	15.1
204.07483	0.8
205.01469	0.7
205.03265	0.6
205.05061	10.9
206.05490	0.7
212.04672	0.7
217.05086	1.0
217.08652	1.2
221.04448	1.0
221.08124	2.3
227.07137	2.8
227.09032	0.5
229.05008	0.6
230.05779	1.0
231.02972	2.1
243.06697	0.5
243.15999	1.9
245.04425	1.0
245.08185	18.8
246.08563	2.1
247.06148	2.0
269.08090	1.1
271.06079	1.4
287.05856	0.7
287.09268	1.2
289.07166	100.0
290.07529	8.8
299.05399	2.2
313.07150	2.1
319.14090	0.7
329.06314	0.5
331.08221	32.3
332.08615	4.2
355.08340	0.5
361.09329	5.6
362.09695	0.8
405.21307	8.0
406.21542	0.7
416.15793	0.5
451.11792	9.2
451.17950	1.0
451.22577	0.8
452.11871	1.1
479.10663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
57.03466	0.7
59.01385	18.2
59.01667	1.0
60.80421	0.6
61.98837	14.5
61.99138	0.8
69.23908	0.5
69.51449	3.6
71.01385	5.6
73.02975	1.6
83.01405	1.1
85.02962	2.5
87.00891	0.8
89.02473	2.7
89.03976	0.6
91.01945	0.5
93.03484	1.0
95.05069	1.4
97.03010	0.4
98.20587	1.0
99.04581	0.6
101.02447	5.3
108.02200	1.0
109.02960	23.9
110.03336	1.0
111.00906	0.7
113.02488	1.9
117.03526	1.0
117.86235	0.4
119.03543	1.0
119.05067	1.1
121.03007	1.4
123.04533	12.8
125.02489	1.6
133.02937	4.8
137.02470	2.1
143.03676	0.5
145.02995	2.0
147.04517	3.9
149.02499	1.0
150.03244	1.7
151.04033	5.3
159.04575	0.8
161.02475	6.2
161.04622	2.1
162.03207	0.6
163.04025	1.1
175.04042	0.7
176.01163	1.1
177.01942	23.9
178.02263	1.2
179.05812	0.7
187.04036	1.3
189.01941	51.5
190.02696	11.2
191.03514	11.7
192.03889	0.8
201.02061	0.7
203.03523	5.3
216.00636	6.9
217.01421	34.0
218.01895	3.2
219.03008	12.4
220.03261	0.6
231.02979	9.3
231.05069	0.8
232.03513	1.3
233.04622	1.6
245.08070	0.9
256.08542	0.9
281.04501	0.8
285.12469	2.7
289.06995	2.7
290.07800	0.6
299.05606	0.7
323.05765	1.1
341.06671	100.0
342.07016	13.1
383.40222	0.6
391.23383	3.6
391.99829	0.5
436.86642	0.6
451.10333	20.8
451.21051	2.0
451.28885	1.9
452.10931	3.2
452.18405	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1246
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.03874	0.3
55.14549	0.3
57.03448	6.3
59.01376	1.2
61.98825	1.4
65.45067	0.4
69.03458	1.1
70.10402	0.7
70.10806	0.9
71.01395	1.2
72.72810	0.4
81.03464	0.7
82.82121	0.3
83.01391	8.3
86.55805	0.3
86.89696	0.3
87.00850	0.4
89.02464	1.1
93.03461	2.8
101.02448	0.9
105.03480	0.6
109.02955	7.1
113.02453	0.3
116.41009	0.4
121.02998	0.8
122.03726	0.7
123.04523	9.4
125.02448	41.9
126.02746	1.0
133.03030	0.4
133.87965	0.3
135.04485	0.4
137.02444	100.0
138.02771	4.9
145.02954	2.9
149.02455	5.1
150.03224	9.6
151.04010	23.8
152.04379	0.9
159.04501	0.8
160.13095	0.4
161.02425	0.6
161.06096	1.4
163.03986	0.4
165.01917	1.3
166.02716	1.6
167.03445	0.6
174.78821	0.4
179.03592	0.5
184.04831	0.4
185.06108	0.7
187.04028	1.1
201.05490	0.5
203.07149	1.5
205.04973	0.7
227.07074	0.8
245.08221	1.5
253.04907	0.4
271.06128	7.5
272.06531	0.7
289.07196	5.5
290.07547	0.5
298.80347	0.3
313.09277	2.3
314.09805	0.4
329.08786	1.8
451.12442	15.5
452.13086	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98703	0.3
59.01383	6.8
60.01708	0.6
61.98833	100.0
69.40569	1.2
69.40990	1.8
69.63825	0.4
71.01397	1.3
73.02931	0.5
77.33786	0.3
85.02970	0.4
87.59061	0.3
89.02466	1.3
98.20641	0.7
101.02459	1.2
113.02492	0.5
125.02473	0.4
161.04662	0.5
187.98445	0.4
228.87895	0.4
263.32370	0.4
278.94592	0.4
332.56543	0.4
335.18509	0.4
434.18933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29173	0.7
55.01889	0.7
59.01386	22.1
60.01712	1.4
61.98835	100.0
69.03471	0.6
71.01380	8.3
71.44707	0.5
73.02956	3.2
83.01397	1.3
83.05019	0.6
85.02961	3.2
89.02469	2.7
93.03469	1.0
95.01402	0.8
97.02966	0.8
98.19780	1.1
99.00909	1.4
101.02476	7.3
102.02837	0.7
106.90706	0.6
109.02991	0.8
113.02467	2.9
119.03539	0.8
123.04588	0.6
125.02503	1.0
137.02501	0.9
161.04567	7.1
162.04950	0.9
179.05650	1.4
189.01936	0.6
193.01190	0.6
201.11401	0.6
289.07336	0.9
319.11859	5.0
357.06171	0.8
390.22321	2.9
391.23465	3.7
450.10773	2.3
450.21222	1.1
450.28128	1.5
451.10504	0.9
451.16321	1.5
451.22620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.9
59.01387	31.9
60.01723	1.8
61.98838	100.0
63.93745	0.9
68.70448	0.9
69.34667	0.9
69.35328	6.6
71.01393	5.6
72.01742	0.9
73.02941	1.3
85.02956	2.4
89.02466	6.3
99.04540	1.7
101.02469	5.8
113.02448	2.6
119.03483	2.1
125.02462	1.6
129.80702	0.9
131.64867	0.9
161.04570	2.6
188.75363	0.9
200.04449	0.9
256.21936	1.0
319.18097	1.0
390.22009	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89365	0.8
55.01867	1.3
57.03446	1.4
59.01380	52.2
61.98834	18.2
69.03439	2.6
69.35829	5.8
71.01384	11.9
73.02952	4.7
73.93168	0.8
74.11482	0.6
81.03469	0.8
83.01388	3.7
85.02964	6.1
89.02436	2.9
93.03464	9.4
95.01374	2.9
97.02914	2.5
99.00857	1.6
101.02448	10.6
107.01355	1.8
109.02958	2.5
112.11473	0.7
113.02413	3.4
119.03555	0.7
121.03010	0.8
123.00879	11.6
123.04473	1.1
124.00838	1.2
124.01674	21.7
125.02448	44.1
126.02793	1.6
131.03488	0.7
136.01672	0.9
137.02449	19.3
138.02791	0.9
139.04024	1.0
149.02448	0.8
149.04474	1.2
149.99582	38.2
151.00232	2.9
151.03957	2.3
152.01146	1.1
153.01976	1.2
156.55190	0.8
159.02994	0.9
161.04544	7.9
167.03467	1.9
168.00639	71.6
169.01167	5.5
177.01912	1.1
179.03473	1.3
187.33307	0.7
189.01863	1.4
216.00641	0.9
217.01350	1.7
219.03069	0.9
229.05020	0.8
229.17998	1.0
281.06564	4.8
288.06363	0.9
311.07800	0.9
313.05621	3.3
319.17548	1.4
331.06729	10.1
331.91208	0.8
332.07147	1.1
341.06595	4.1
387.08215	0.8
391.15543	1.0
391.23370	23.6
392.23761	2.7
398.18390	0.8
433.07779	1.8
451.08725	100.0
451.21182	3.6
451.32861	1.8
452.09061	14.2
452.44037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73625	0.3
59.01381	5.1
60.01714	0.5
61.98832	100.0
69.75117	2.0
69.75496	0.3
71.01389	1.2
73.02946	0.4
78.71338	0.3
84.40224	0.3
89.02452	0.8
100.18709	0.3
101.02428	0.9
107.41820	0.4
113.02465	0.5
119.03507	0.6
161.04631	0.4
241.13213	0.4
389.21927	0.7
390.22122	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
58.97819	0.5
59.01384	13.3
60.01722	1.1
61.98837	100.0
66.74685	0.6
69.64144	3.8
71.01398	2.1
83.23351	0.5
85.02979	1.1
89.02444	2.7
99.04549	0.8
101.02466	2.3
113.02471	1.0
125.02434	0.9
161.04613	1.3
179.05597	0.8
190.82596	0.5
190.84639	0.5
292.19128	0.6
390.22162	1.3
391.23718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24537	0.5
52.82338	0.6
55.48803	0.6
57.36560	0.5
58.42211	0.5
59.01380	16.5
61.96136	0.6
61.98831	100.0
69.41508	4.8
71.01390	3.4
71.01736	0.6
73.02943	0.8
83.01395	1.0
85.02969	1.4
89.02470	1.5
93.03479	1.8
101.02460	3.2
113.02492	1.4
123.00881	1.4
124.01665	3.6
125.02445	5.2
137.02423	3.1
143.46355	0.6
146.46985	0.6
149.99565	4.2
153.02036	0.7
161.04587	2.2
168.00648	9.0
169.01462	0.8
182.92374	0.5
189.02025	0.6
281.06500	0.6
298.06384	0.6
319.17828	1.0
331.06854	1.6
341.06628	1.0
391.23337	6.5
451.08603	11.9
451.21936	1.1
451.32590	3.1
455.34628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40135	0.2
58.36702	0.2
59.01382	3.2
61.98831	100.0
62.25718	0.2
62.82747	0.2
67.89972	0.3
69.74210	1.6
101.02472	0.3
115.40069	0.3
227.15404	0.3
390.22095	0.3
391.23538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92557	3.1
57.03451	8.2
59.01382	100.0
61.98798	6.2
69.03445	4.0
70.14474	4.5
70.14809	12.1
71.01395	3.6
71.05023	7.2
75.11969	2.6
76.40335	2.8
78.95905	27.1
83.05022	3.9
85.02930	3.7
95.04995	7.0
96.96010	5.9
97.06590	4.2
101.02418	3.0
103.52811	2.7
109.06609	8.1
119.05055	3.1
121.02971	11.9
121.06580	4.1
135.04634	3.3
135.08180	19.9
137.09723	86.4
138.10060	5.1
145.02928	3.5
149.06038	5.1
149.09712	4.1
151.07639	3.2
152.99597	39.8
156.00766	3.0
177.12859	19.7
179.07130	4.9
181.07153	3.2
181.08713	59.1
182.09023	4.0
188.72412	2.8
189.09105	3.2
221.11826	19.3
265.10840	19.8
317.21017	4.8
389.21713	5.4
431.24585	3.6
449.25168	20.3
449.32019	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	450.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28121	0.3
59.01382	8.4
60.01706	0.5
61.44767	0.3
61.98833	100.0
69.29263	2.6
71.01392	1.5
71.70135	0.3
73.02946	0.5
74.88176	0.3
85.02978	0.8
89.02455	0.5
92.36972	0.3
101.02470	1.3
109.02935	0.3
113.02461	0.7
119.05068	0.3
125.02478	0.6
137.02481	0.7
150.33296	0.3
161.04622	0.6
163.03992	0.4
168.00655	0.4
185.53345	0.3
219.13757	0.3
289.07205	0.8
303.18246	0.6
390.22043	0.4
391.23480	1.0
450.11081	0.6
450.24817	0.4
459.60504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
60.01713	0.9
61.98832	100.0
63.99250	0.6
69.29871	3.6
71.01392	2.3
73.02940	0.9
83.01411	0.8
85.02985	1.0
85.25127	0.4
89.02439	1.8
90.91071	0.3
91.01889	0.5
93.03446	2.1
99.00890	0.5
101.02440	2.5
109.02973	3.4
113.02464	1.2
119.03530	0.5
123.00982	0.6
123.04543	1.7
123.50778	0.4
124.01693	0.9
125.02473	2.0
133.03044	0.6
137.02460	2.8
141.89169	0.4
147.04546	0.6
149.02478	0.6
149.60567	0.4
149.99602	0.8
151.00339	0.4
151.04066	0.8
161.02461	1.2
161.04584	1.2
165.01936	0.5
167.03386	0.4
168.00589	2.5
169.01460	0.6
177.01907	3.4
179.03424	0.4
189.01926	7.0
190.02769	1.2
191.03551	1.7
203.03568	0.7
216.00667	0.8
217.01396	5.0
219.03009	1.6
231.03058	1.2
289.07278	0.8
313.05621	3.0
326.57425	0.4
331.06949	0.8
334.33316	0.4
341.06659	13.9
387.14673	0.5
391.23184	0.7
392.98343	0.4
447.35141	0.4
451.09628	5.2
451.21506	0.6
451.29022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
60.01713	0.9
61.98832	100.0
63.99250	0.6
69.29871	3.6
71.01392	2.3
73.02940	0.9
83.01411	0.8
85.02985	1.0
85.25127	0.4
89.02439	1.8
90.91071	0.3
91.01889	0.5
93.03446	2.1
99.00890	0.5
101.02440	2.5
109.02973	3.4
113.02464	1.2
119.03530	0.5
123.00982	0.6
123.04543	1.7
123.50778	0.4
124.01693	0.9
125.02473	2.0
133.03044	0.6
137.02460	2.8
141.89169	0.4
147.04546	0.6
149.02478	0.6
149.60567	0.4
149.99602	0.8
151.00339	0.4
151.04066	0.8
161.02461	1.2
161.04584	1.2
165.01936	0.5
167.03386	0.4
168.00589	2.5
169.01460	0.6
177.01907	3.4
179.03424	0.4
189.01926	7.0
190.02769	1.2
191.03551	1.7
203.03568	0.7
216.00667	0.8
217.01396	5.0
219.03009	1.6
231.03058	1.2
289.07278	0.8
313.05621	3.0
326.57425	0.4
331.06949	0.8
334.33316	0.4
341.06659	13.9
387.14673	0.5
391.23184	0.7
392.98343	0.4
447.35141	0.4
451.09628	5.2
451.21506	0.6
451.29022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03445	0.8
59.01379	100.0
60.01711	1.7
61.98830	68.9
69.43246	4.2
69.43638	0.7
71.01389	13.6
72.01712	0.7
72.99294	0.8
73.02950	2.8
83.01398	0.9
85.02958	4.1
87.00881	0.9
89.01913	0.8
89.02442	13.0
89.22248	0.5
93.03433	0.6
95.01395	0.7
99.00895	0.6
101.02438	10.0
102.02755	0.5
113.01797	0.5
113.02454	6.5
119.03499	7.3
122.03732	0.8
123.04482	0.6
125.02416	0.8
131.03482	0.9
133.02859	0.6
137.02377	2.2
143.03438	1.9
149.04546	0.7
161.04532	7.1
179.05603	3.5
227.16341	1.7
269.04382	1.6
281.06406	0.6
328.04953	0.6
329.05222	2.1
329.09067	0.5
359.06613	0.8
387.19550	0.6
388.20047	0.6
389.21753	16.4
389.26559	0.9
390.22070	2.5
405.11420	1.7
449.09897	1.5
449.19489	0.7
463.82117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03447	1.1
59.01381	100.0
61.98824	12.6
68.27888	0.7
69.33728	1.1
69.33913	1.7
69.34325	5.5
69.34639	0.9
71.01385	19.1
72.99329	1.1
73.02949	4.3
83.01389	2.1
83.49131	0.7
85.02953	7.8
89.02444	17.9
91.96126	0.7
93.42593	0.7
95.01376	1.2
97.27792	0.8
98.66684	0.8
99.00856	1.7
101.02444	16.7
113.02451	10.8
119.03497	9.0
131.03517	0.9
137.10057	0.7
143.03490	2.4
159.02959	2.4
161.04552	16.3
179.05606	3.3
227.16382	1.6
236.91841	0.9
389.21802	42.1
390.22363	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67391	0.6
59.01381	100.0
59.56455	0.6
60.01715	2.0
61.98830	9.7
69.34527	7.0
71.01378	6.6
73.02956	2.0
83.01385	0.9
85.02953	3.0
87.00920	0.7
88.76115	0.7
89.02460	4.9
93.03465	2.2
101.02464	4.0
113.02468	3.1
119.03489	1.5
137.02470	2.8
143.03516	0.9
152.04810	2.6
161.04552	3.0
167.07129	2.6
179.05589	2.3
199.09702	0.7
227.03506	7.7
228.03915	6.5
229.04012	7.4
255.03021	8.2
256.03326	8.9
257.03528	11.9
258.04095	1.1
281.06735	3.8
284.03247	6.3
285.03601	7.5
286.03870	14.9
287.04538	3.0
312.13092	0.8
354.13281	0.7
389.21805	7.9
390.22177	1.5
449.09808	30.7
449.23886	2.7
450.10031	2.6
450.15503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
59.01381	100.0
60.01713	1.4
61.98829	4.9
66.44221	0.3
68.48809	0.3
69.40150	2.0
69.40578	1.0
71.01382	8.6
71.05025	1.2
71.05989	0.3
73.02956	3.0
83.01398	0.7
85.02950	3.0
89.02442	2.8
93.63950	0.3
93.97599	0.4
95.01425	0.4
99.00888	0.9
101.02445	5.2
113.02454	3.9
114.06767	0.4
119.03520	1.4
131.63461	0.4
137.09650	0.4
139.07669	0.9
143.03500	0.5
155.10783	4.2
159.03017	1.5
161.04558	8.5
179.05547	0.5
209.15202	0.3
227.16510	9.3
228.16907	0.6
252.37663	0.4
329.05756	0.4
359.07034	0.4
389.21860	8.5
389.27081	0.5
390.22198	1.4
433.20447	0.7
435.41022	0.4
449.24179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01699	1.3
61.98833	4.4
63.40477	0.8
69.35069	5.1
69.35487	3.2
71.01379	13.5
73.02956	2.4
74.09624	0.8
83.01417	1.0
85.02967	2.8
89.02452	13.3
98.19869	1.5
99.23823	0.8
101.02441	9.3
101.88892	0.9
103.44028	0.9
107.01410	0.9
113.02473	6.2
119.03497	5.1
125.02472	1.3
135.04527	2.4
137.09727	1.8
143.03497	1.8
149.04628	0.9
151.00420	4.9
152.00720	1.4
153.09195	2.3
155.10780	10.8
159.03079	1.0
161.04539	7.8
167.75169	0.8
179.05589	4.2
192.32762	0.8
199.09778	2.8
209.15599	1.0
245.03665	0.9
255.02866	1.0
256.03143	1.4
271.02628	1.6
272.02771	2.2
273.03024	3.7
287.05551	3.8
300.02728	2.4
301.03290	3.9
302.03448	7.6
303.04095	5.0
359.20749	13.5
360.21243	1.4
389.21854	11.8
390.22214	1.1
449.10123	10.7
449.19919	11.6
450.20233	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22739	0.9
55.01873	2.0
57.03445	2.1
58.00590	1.3
59.01379	100.0
60.01700	1.2
61.98831	20.5
69.03453	9.9
69.57155	6.9
71.01384	34.2
71.05005	1.0
72.99310	1.4
73.02957	10.1
83.01390	4.0
85.02951	11.3
87.00893	1.3
89.02457	14.2
93.70144	0.7
95.01382	2.8
97.02959	2.6
99.00890	6.1
101.02446	23.6
107.01388	2.0
113.02448	17.1
119.03520	5.2
124.07687	3.8
125.02448	2.6
129.01974	1.2
135.04506	5.5
136.97002	0.8
137.09735	0.9
141.01953	1.2
142.76604	0.8
143.03461	3.2
151.00365	7.9
153.09129	1.3
155.10771	1.7
159.02979	4.2
161.04555	41.2
162.04845	1.5
165.12808	1.2
176.43973	0.9
179.05606	3.0
185.00938	7.0
209.15448	1.7
212.72324	0.9
215.03493	1.2
227.03403	1.1
227.16530	3.3
243.02937	10.3
244.03284	6.4
245.03511	7.6
257.04343	1.8
258.04883	2.1
259.05072	2.5
270.01657	2.1
271.02377	6.9
272.02686	7.8
273.02972	11.4
285.04037	3.9
286.04590	6.2
287.05222	10.8
287.11115	1.4
287.13901	7.1
288.05447	2.4
288.14395	1.1
299.01837	1.0
300.02487	2.5
301.02750	3.7
302.03323	3.4
303.03918	1.4
314.04297	5.8
315.04617	6.3
316.04871	15.2
317.05463	3.0
389.21790	37.2
390.22214	5.3
429.08478	1.0
449.09891	55.0
450.10260	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	449.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01390	8.2
61.98835	0.9
64.53053	0.3
69.03436	0.4
69.61021	2.1
69.90206	0.3
71.01388	0.6
71.68958	0.3
78.95911	51.8
83.05054	0.5
85.02911	0.4
88.23032	0.3
89.02448	0.3
96.96015	0.6
96.96967	6.6
101.02475	0.3
111.00849	0.3
111.04532	0.3
113.02477	0.3
116.92899	0.3
147.41924	0.3
150.98050	1.9
152.99599	100.0
153.99922	1.6
159.04427	0.3
161.04538	0.4
169.93407	0.3
171.00647	4.2
195.13936	0.3
201.12904	0.3
246.57951	0.3
252.19348	0.3
295.22775	0.5
333.46991	0.3
389.21359	0.6
398.72180	0.3
449.22922	14.6
450.23279	1.7
462.65576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08315	0.3
59.01091	0.5
59.01382	9.2
61.98830	0.9
62.96428	0.4
69.42921	2.7
71.01369	0.5
71.17105	0.3
78.95905	76.4
81.09588	0.3
85.02941	2.6
96.96958	6.3
109.06590	0.3
111.00856	1.7
113.02448	0.5
115.03948	0.3
119.39260	0.3
121.06560	0.3
129.01950	1.8
150.97997	1.6
152.99588	100.0
153.99933	2.7
155.00017	0.6
161.04601	0.5
169.08708	0.8
171.00652	2.6
195.13870	0.7
227.16444	0.3
277.21802	0.3
295.22748	1.1
387.30673	0.3
389.21524	1.0
449.22998	21.1
450.23547	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	449.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.24895	3.8
61.98832	61.8
69.51895	27.3
71.01389	67.6
72.99303	4.8
73.02940	17.5
80.91685	11.6
83.01370	9.4
85.02963	21.8
87.00847	9.1
89.02457	56.6
95.01391	4.9
95.37299	4.4
99.00881	4.1
99.04509	5.2
101.02435	55.6
105.01936	15.5
108.02176	8.0
109.02949	9.9
113.02434	26.3
119.03482	17.9
120.99609	5.5
121.02945	10.4
122.95705	3.7
123.04513	6.7
125.02449	29.7
136.99100	11.2
137.02452	10.7
143.03435	5.1
149.02498	6.6
151.04013	12.7
151.98508	4.1
152.01117	5.1
153.01950	9.7
153.05516	4.9
153.74869	4.0
161.02419	13.0
161.04538	14.2
162.05571	5.9
163.00418	5.3
163.05977	6.8
165.01811	7.7
177.01930	10.7
179.05569	12.9
184.01936	4.5
185.02527	4.3
189.01970	4.1
201.05685	5.8
213.14961	5.1
215.03270	4.8
225.05508	6.0
227.09270	9.2
241.05066	6.1
245.04549	4.1
269.04590	36.2
285.03900	4.9
287.05667	24.8
287.18628	73.2
288.18991	9.2
343.04575	10.0
389.14590	36.5
416.40787	5.1
449.08401	7.1
449.15161	4.8
449.23984	79.8
450.10190	8.8
450.24005	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	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60721	0.6
57.53198	0.6
59.01380	100.0
60.01712	1.5
61.98832	29.3
69.61685	3.6
71.01388	3.8
73.02968	0.9
83.01394	0.9
85.02950	1.4
89.02431	0.9
90.05947	0.7
99.00874	0.8
101.02459	2.1
104.29991	0.6
113.02441	1.7
125.02417	3.6
137.87474	0.6
151.00414	0.8
161.04579	5.8
223.24298	0.7
248.48941	0.6
259.06149	3.6
269.04730	2.8
287.05542	3.3
389.21655	3.8
390.22583	0.9
449.11069	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30301	0.4
57.03449	0.8
58.00595	0.6
59.01382	100.0
60.01724	1.3
60.84106	0.4
61.98833	20.0
65.35173	0.5
68.35875	0.4
70.16277	0.7
70.16695	1.5
71.01387	14.5
72.99337	0.7
73.02948	2.9
81.03460	0.6
83.01395	1.9
85.02948	4.8
87.00901	1.4
89.02446	12.4
93.03444	0.6
95.01394	0.9
98.19988	0.6
99.00893	0.7
99.04553	0.5
100.41451	0.4
101.02448	11.0
109.02923	0.6
113.02451	6.8
113.65582	0.4
119.03517	5.5
121.03033	0.5
125.02460	2.9
127.04006	0.5
131.03502	0.8
134.92931	0.4
137.02478	0.5
140.07179	2.8
141.07545	1.2
141.41212	0.4
143.03528	1.2
149.04578	0.7
159.03008	1.5
161.02577	0.5
161.04556	7.0
167.03535	0.5
175.04039	1.0
178.16420	0.5
179.05643	2.7
195.13960	0.8
206.56046	0.4
210.25021	0.4
215.07010	0.6
227.09348	0.5
227.16586	1.3
243.06581	0.5
250.30139	0.4
256.36835	0.6
259.06113	1.8
269.04672	1.1
269.17419	0.5
287.05698	2.4
287.18625	8.4
361.06064	0.5
389.14456	0.7
389.21878	3.4
449.10684	1.5
449.24561	6.5
450.24374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.03432	0.7
59.01380	29.5
59.61719	0.6
61.22301	0.6
61.98832	4.8
62.96410	25.3
65.88221	0.6
69.03455	0.8
69.49798	4.6
71.01379	2.1
72.99300	0.8
73.02944	1.2
78.95903	59.0
80.97469	30.4
83.05035	1.0
85.02945	2.0
89.02436	1.0
95.05008	0.9
96.96027	0.8
96.96950	0.8
98.20623	0.8
99.00903	0.7
99.92545	1.1
101.02458	0.8
111.00889	2.8
113.02431	0.8
116.92879	1.1
121.02917	1.2
123.08179	0.8
129.01994	0.6
149.00090	14.0
150.00471	0.7
151.07706	0.8
152.99527	1.7
161.04538	1.8
161.50389	0.6
167.12996	0.8
179.01161	0.8
205.15938	7.0
242.98282	4.8
285.12579	1.9
337.23901	0.9
355.16791	15.7
356.16989	1.7
385.17853	20.7
386.18179	2.9
389.21829	2.5
390.22528	0.7
431.24033	0.8
449.14948	100.0
449.25400	6.1
450.15277	12.7
450.25378	1.3
456.86188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
59.01371	4.6
59.48265	2.2
62.91655	2.5
63.20621	2.3
67.28409	2.2
69.41476	2.3
69.41718	5.8
69.42133	10.9
70.52374	2.5
71.01384	3.7
85.02957	16.7
87.00875	6.2
97.10369	2.0
98.20567	5.2
116.47441	2.2
129.01924	11.4
151.75922	2.4
176.40952	2.2
209.06660	100.0
230.29684	2.3
308.19376	2.6
430.13727	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34269	0.4
57.03425	0.4
59.01382	36.4
60.01713	1.0
61.98833	100.0
69.73189	1.4
69.73584	0.9
71.01385	4.8
73.02962	0.7
83.01401	1.1
85.02966	2.1
89.02445	4.8
95.01410	0.5
99.00866	0.5
101.02443	4.0
109.03024	0.7
113.02422	2.5
114.02771	0.5
119.03520	1.7
122.03789	0.7
125.02501	0.9
133.02953	3.1
134.03362	1.5
137.02463	1.2
148.04842	0.6
153.09267	1.1
157.99239	0.4
161.04547	3.4
162.04912	0.7
179.05664	1.0
203.03441	0.5
225.14967	0.9
226.15398	1.7
244.70045	0.5
269.04617	1.5
281.06818	0.9
284.03305	0.8
285.03790	2.1
286.04361	1.3
297.04108	1.7
298.04486	4.2
299.05310	3.5
300.05917	4.4
327.05093	6.3
328.05426	21.5
329.05701	2.3
340.05609	1.5
357.06137	1.1
358.06470	7.9
358.10388	0.7
359.06644	0.7
370.06656	0.5
388.20596	3.9
389.21854	5.0
448.09641	8.4
449.10382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	1.3
57.06765	0.6
59.01380	95.9
60.01711	8.0
61.98830	100.0
69.41874	5.7
70.31298	0.6
71.01369	8.9
73.02926	2.8
75.00854	1.9
83.01370	1.5
85.02977	4.2
87.66930	0.7
89.02449	5.8
93.03450	0.8
95.01375	1.1
98.20634	1.3
99.00884	1.1
101.02464	7.5
107.01376	0.9
113.02433	4.3
119.03474	2.1
125.02454	1.3
128.83636	0.8
129.25745	0.8
151.00349	1.0
159.03032	1.2
161.04564	6.5
170.72893	0.8
209.15283	0.9
212.04330	1.2
225.14917	0.8
227.03508	25.4
228.03842	36.1
229.04083	2.9
255.02982	26.9
256.03342	51.3
257.03873	6.7
272.02896	1.1
284.03271	15.8
285.03644	43.3
286.04367	14.1
287.04703	1.3
299.01944	0.9
300.02686	0.8
301.03284	1.5
328.05487	1.7
354.17871	0.8
388.20609	2.3
389.21884	9.0
423.25708	0.8
448.09641	80.1
449.09964	11.2
449.18967	0.9
449.24313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03451	2.9
59.01381	100.0
60.01713	1.4
61.98830	76.7
69.69029	3.7
71.01383	24.0
72.01722	0.8
73.02942	3.8
83.01391	2.3
85.02953	9.1
87.00868	1.6
89.02447	13.6
95.01378	2.0
99.00871	2.5
99.04501	1.4
101.02444	16.8
104.19762	0.6
113.02449	10.7
119.03497	6.1
125.02409	1.5
131.03535	0.8
133.87592	0.7
138.01952	1.2
143.03464	2.4
149.04582	0.7
159.02933	2.2
161.04559	15.3
161.86288	0.6
162.04901	0.9
165.12868	4.5
179.05589	3.3
209.15314	2.5
225.14810	0.8
226.15138	1.8
227.16483	2.6
300.05865	0.7
305.15778	1.0
327.05069	0.8
328.05112	2.3
358.06171	0.7
388.20184	1.6
389.21805	55.7
433.19617	0.6
448.09204	1.2
474.61597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43033	0.3
59.01382	27.4
60.01734	0.4
61.98833	100.0
71.01383	3.4
71.60648	0.2
72.17476	0.3
72.99331	0.3
73.02952	0.7
85.02965	0.5
89.02435	2.7
89.49767	0.3
95.67372	0.3
101.02444	1.9
108.31036	0.2
113.02460	1.9
116.86660	0.3
119.03505	1.8
125.02486	0.9
138.01944	0.5
143.03542	0.5
161.04584	1.8
162.05002	0.2
165.12930	0.3
179.05661	1.2
204.23720	0.3
227.16469	0.4
259.05920	0.4
269.04654	0.4
279.38040	0.3
287.05649	0.4
291.49023	0.3
334.62888	0.3
389.21832	2.3
449.24304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.0
61.98832	100.0
71.01379	1.2
85.02988	0.6
94.05116	0.5
101.02462	0.9
113.02477	0.7
115.24100	0.4
125.02482	1.6
146.57253	0.4
161.04573	1.0
200.92657	0.4
221.73517	0.5
238.38812	0.6
259.06174	0.9
269.04517	0.9
287.05652	0.6
389.21927	1.1
420.11896	0.4
428.96146	0.5
449.11017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
58.00602	0.2
59.01383	7.6
60.01720	0.3
61.98831	19.1
69.03457	0.5
69.94835	0.9
71.01382	4.7
72.01718	0.3
72.99301	0.3
73.02945	1.2
73.86497	0.2
81.03465	0.3
83.01403	0.6
85.02945	1.9
87.00887	0.7
89.02446	4.1
90.02797	0.4
95.01412	0.4
97.02960	0.8
98.03328	0.2
99.04531	0.2
101.02447	3.8
103.04004	1.9
108.02248	0.3
109.02971	0.5
113.02467	1.0
119.03507	1.8
121.03006	0.3
123.00890	1.1
123.04551	0.3
124.01712	1.8
125.02474	7.3
126.02779	2.1
131.03592	0.2
132.03055	0.2
133.05061	1.2
134.05431	0.6
135.04541	0.7
137.02434	0.9
138.02823	0.3
138.05594	0.3
139.23116	0.2
140.07178	100.0
141.07527	5.0
143.03508	0.4
145.05098	0.5
149.99573	2.0
151.00020	0.9
151.03941	0.3
153.01964	0.3
160.04018	0.4
161.02411	0.2
161.04636	0.5
162.23741	0.2
163.06151	1.3
165.01906	0.2
165.05450	0.2
167.03566	0.4
168.00633	4.5
169.00993	2.7
178.05157	0.2
179.05592	0.7
182.08237	0.4
204.50412	0.3
205.07243	0.4
219.31725	0.3
235.81932	0.2
247.08199	0.7
259.06110	0.4
269.04401	0.4
286.10864	0.5
287.05649	1.1
287.18619	1.0
307.10266	1.1
313.05524	0.3
314.06055	1.0
316.11084	0.4
412.15903	0.2
448.11627	12.1
449.11859	1.9
449.18433	0.3
449.24298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01381	20.3
60.01705	0.5
61.98831	100.0
62.41300	0.5
66.63821	0.4
71.01378	5.0
72.99306	1.0
73.02952	1.4
83.01397	1.0
85.02960	2.0
89.02450	4.8
99.00845	0.5
101.02451	3.5
103.66634	0.5
105.00118	0.5
107.01383	0.5
109.02975	0.9
110.36883	0.6
113.02448	2.5
115.49509	0.5
119.03522	2.1
120.99691	0.8
121.02965	0.8
124.01669	0.6
125.02436	4.9
131.03497	0.7
137.02522	0.6
138.05646	1.3
139.04051	0.8
149.04549	0.5
151.00371	1.1
153.01929	0.9
157.13637	0.6
161.02466	1.1
161.04556	1.4
163.03937	0.6
165.02025	1.0
173.06084	0.6
175.03970	0.6
178.99930	1.1
179.05666	1.2
190.85677	0.5
205.05135	0.6
215.07176	0.8
225.05734	0.6
227.09155	1.0
259.06085	5.2
269.04630	1.5
270.10602	0.7
283.06238	0.6
287.05612	4.9
389.21899	0.7
413.18268	0.6
421.11411	1.1
449.09647	1.6
449.20264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1616
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.82106	0.3
57.03432	0.4
59.01382	6.3
60.01714	0.5
60.99308	0.4
61.98836	3.3
63.29609	0.3
71.01382	3.5
71.63259	0.3
72.99313	0.7
73.02956	1.0
74.65323	0.3
74.99110	0.4
75.00880	0.4
83.01394	0.4
85.02955	0.7
87.00888	0.9
88.00407	0.6
88.98817	1.3
89.02444	4.2
93.03464	0.4
99.00890	1.0
101.02464	2.5
108.02210	0.5
109.02932	0.5
113.02458	0.9
119.03506	1.2
121.02956	3.3
122.03755	1.1
123.04527	9.0
124.04853	0.4
125.02473	1.6
131.03497	0.3
135.04549	2.1
136.04849	0.5
136.99062	0.3
137.02463	0.5
138.05637	1.1
140.06239	0.4
140.07175	2.4
147.03262	0.6
149.02449	0.5
149.04778	0.4
160.04053	0.4
161.04602	0.4
162.05621	100.0
162.90628	0.3
163.05962	6.1
164.07155	0.9
176.07184	0.4
177.01976	0.3
179.05669	0.6
196.06151	0.9
201.05556	0.4
213.15047	0.4
225.05708	0.4
264.45206	0.3
269.04568	1.9
286.10858	33.0
287.11246	3.6
287.18628	4.1
361.05896	0.4
361.09747	0.4
448.15961	10.1
449.10507	0.4
449.16452	1.9
449.23581	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	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
66.63875	0.4
71.39536	0.7
74.85004	0.4
78.95908	16.6
87.46938	0.4
104.97487	0.7
107.41327	0.5
110.98535	11.5
133.00920	0.5
141.35924	0.4
143.92628	0.4
152.99622	1.9
158.86212	0.4
167.01149	13.0
185.02238	3.3
208.97711	0.6
221.08209	3.0
225.00726	0.5
279.23294	100.0
280.23636	11.6
300.02753	0.6
389.67404	0.4
447.08591	0.6
447.25092	21.0
448.25510	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	447.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88081	0.5
55.01867	0.6
57.03444	1.9
58.00589	1.1
59.01387	32.9
60.01720	0.5
61.98836	2.9
65.00333	0.6
69.94148	0.4
70.92406	1.2
71.01388	15.5
71.05018	1.3
72.99316	1.9
73.02950	2.2
81.03446	0.7
83.01406	1.7
83.05019	0.7
84.02184	0.5
85.02970	4.6
86.00108	0.5
87.00887	1.9
89.02451	11.3
95.01398	1.3
97.02957	0.7
99.00873	1.3
99.51063	0.5
101.02454	8.8
101.50056	0.5
104.52409	0.4
107.01367	0.9
109.03004	0.7
111.00905	0.5
111.04469	0.5
113.02454	5.9
115.04038	0.6
119.03506	4.4
121.02911	0.5
125.02451	0.5
127.11361	0.6
143.03522	0.7
149.02524	0.6
151.00403	2.2
151.07698	0.5
153.09203	1.0
161.04570	2.0
163.00330	0.8
163.04002	0.6
164.04877	0.6
178.99904	1.4
179.05669	1.1
181.16032	1.5
215.76530	0.5
221.19188	1.1
225.14963	2.9
226.11200	0.6
227.03419	2.4
239.20227	2.7
241.13419	0.6
243.02895	2.3
245.04485	0.4
255.03008	6.0
256.03311	1.0
267.19702	1.2
271.02472	7.5
272.02975	0.7
281.21243	0.8
284.03415	2.5
285.03970	1.6
285.12479	1.9
285.20734	32.5
286.21069	3.8
299.05725	0.5
299.99384	0.6
300.02780	11.9
301.03537	10.3
302.03922	1.0
327.05228	2.2
327.21671	0.5
331.24878	1.8
347.24683	0.6
357.06296	0.7
387.20413	1.7
403.25339	0.6
447.09402	13.0
447.26007	100.0
448.09659	2.1
448.19965	0.8
448.26382	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	447.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98671	0.7
53.81777	0.7
57.03448	1.0
59.01379	10.9
61.98825	1.9
69.95393	3.4
71.01392	0.8
75.00860	1.0
78.95903	6.0
81.68037	0.7
83.05035	1.2
86.14798	0.7
89.02471	1.0
93.03443	1.1
99.00913	0.9
100.35255	0.7
107.01374	1.2
109.02956	0.8
109.30515	0.6
117.03477	15.2
118.03847	0.7
119.05028	49.4
119.08609	0.8
120.05382	2.1
121.02941	1.6
125.02364	0.7
132.58884	0.6
133.02927	0.8
135.04568	0.7
145.02960	100.0
146.03287	5.1
151.00359	2.4
152.99608	6.4
153.09250	0.9
163.04010	39.5
164.04369	2.1
178.99840	1.2
180.83104	0.8
182.95934	0.6
189.12756	0.7
211.13367	0.8
213.96368	0.7
221.19142	8.0
225.15068	1.3
227.03453	2.9
243.03056	1.4
255.02995	5.0
265.18112	5.8
268.72995	0.7
271.02469	5.4
272.02853	0.8
283.19150	9.4
284.03250	2.3
285.03937	1.5
300.02731	10.8
301.03467	8.5
301.20190	20.1
302.04062	0.9
302.20551	1.6
321.52969	0.7
327.05170	2.4
387.20163	0.9
429.22955	0.9
447.09576	10.6
447.23865	50.3
448.09723	1.8
448.24301	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	447.2389
Annotation	Ugaferin
Peak:m/z	Relative Intensity
57.03455	1.1
59.01385	14.2
61.98833	1.0
70.28363	2.4
71.01381	1.5
72.99323	0.6
73.02962	0.9
78.95898	3.1
82.24870	0.6
85.02956	1.2
89.02431	1.0
101.02417	0.7
111.00912	0.8
113.02463	1.7
117.03475	16.4
118.03789	1.0
119.05029	50.3
120.05377	1.9
121.02953	1.2
125.14576	0.6
133.02972	0.7
145.02956	100.0
146.03314	5.0
151.00409	1.4
152.99614	4.6
153.09209	1.6
161.04549	1.5
163.04010	39.8
164.04379	2.3
167.55478	0.7
178.99902	0.8
221.19073	8.7
222.19377	0.7
225.14955	2.4
227.03542	1.2
255.02930	4.1
256.03766	0.8
265.18091	7.6
271.02469	3.9
283.19144	10.2
284.03311	2.4
285.03998	1.5
300.02719	6.1
301.03586	6.1
301.20181	23.3
302.20517	2.9
327.05035	1.8
357.06131	0.8
387.20264	1.4
429.22858	0.9
447.09705	8.4
447.23819	56.2
448.24094	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03077	0.5
59.01382	100.0
60.01717	1.3
61.98835	17.0
69.33927	2.5
69.34346	1.9
71.01385	5.0
73.02963	0.7
74.84209	0.5
85.02954	1.6
89.02464	3.3
98.19830	0.8
101.02447	3.1
113.02469	1.2
119.03513	2.0
125.02485	0.9
127.73283	0.5
139.07504	0.5
143.03484	0.6
149.04628	0.6
151.00410	1.8
153.09196	0.7
161.04582	2.2
171.04489	0.5
174.03238	0.7
179.05693	0.7
183.04457	1.1
211.04030	0.7
225.14986	1.6
227.03500	47.1
228.03836	4.0
229.05095	0.9
255.02986	57.2
256.03586	8.6
257.04282	0.8
284.03259	42.4
285.03949	14.6
286.04382	1.2
297.43216	0.5
301.03445	0.8
305.97363	0.5
327.05099	2.2
340.05930	0.5
370.55295	0.5
387.20285	2.5
447.09329	67.4
448.09692	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
57.03446	2.5
58.00598	4.2
59.01380	92.2
60.01712	1.1
61.98839	2.1
65.00724	0.3
69.03455	1.0
69.41557	1.0
69.41970	2.6
71.01383	69.8
72.01730	1.5
72.99306	4.4
73.02948	16.1
75.00865	0.7
81.03456	0.6
83.01385	5.6
85.02953	14.3
87.00885	3.8
89.02446	100.0
90.02785	1.6
94.76306	0.4
95.01389	4.2
97.02956	2.3
99.00882	17.6
99.04529	0.9
100.01235	0.4
101.02447	48.6
102.02802	1.5
102.75124	0.4
102.95342	0.4
107.01443	0.5
108.02209	0.5
111.00913	0.5
113.02452	23.9
114.02798	0.7
115.04011	1.7
115.61605	0.4
119.03504	24.9
120.03852	0.7
120.74386	0.4
121.02979	0.3
125.02457	4.5
129.01918	0.5
131.03505	19.6
134.56491	0.4
139.03914	0.5
143.03519	4.9
149.04558	37.2
150.04893	0.5
151.00365	1.5
152.48296	0.4
153.09190	0.5
159.02969	0.7
161.04562	7.9
163.00418	0.5
164.97005	0.4
178.99922	0.4
179.05591	9.1
183.13766	0.4
191.05608	11.7
192.05768	0.4
211.13370	5.1
212.13631	0.4
221.06569	0.9
223.53401	0.4
225.14793	0.6
227.03490	1.4
233.06615	2.3
243.02986	1.2
251.07686	1.6
253.09286	0.5
255.03003	3.8
271.02454	6.0
284.03137	1.1
285.03885	1.1
293.08600	0.6
300.02744	7.3
301.03497	6.7
315.18085	10.5
316.18387	0.7
327.04959	1.1
357.05997	0.5
387.20090	0.7
447.09338	8.2
447.22235	35.9
448.09656	1.2
448.22568	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	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.24179	0.5
52.44300	0.5
55.00378	0.5
55.01882	1.6
55.20568	0.5
57.03448	1.4
58.00595	3.6
59.01382	93.9
60.01710	0.8
61.98838	1.0
70.65937	0.9
71.01385	72.7
71.90458	0.5
72.01711	1.1
72.99312	4.1
73.02949	10.7
83.01389	3.9
84.02218	0.5
85.02953	14.5
87.00878	3.8
89.02446	100.0
90.02801	1.8
91.24689	0.4
95.01409	2.7
97.02946	1.0
99.00878	5.8
101.02449	42.7
102.02764	0.7
113.02454	24.1
119.03504	25.3
119.85538	0.4
125.02460	3.0
131.03506	16.6
132.03882	0.5
143.03506	5.8
149.04555	31.9
150.04871	1.5
157.50197	0.5
161.04546	5.9
179.05609	10.3
191.05612	7.4
211.13382	1.0
251.07642	0.8
255.02954	0.9
271.02368	1.6
276.67615	0.4
293.09119	0.5
300.02603	2.1
301.03271	1.3
315.18158	5.3
341.41830	0.5
345.63873	0.5
447.09335	2.4
447.22247	7.6
448.22476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
50.74612	0.3
53.85913	0.3
55.01879	2.7
57.03444	2.1
58.00587	0.8
59.01383	17.9
60.01696	0.3
61.98814	0.8
69.03443	0.7
69.41278	2.1
71.01382	39.1
72.01719	0.7
72.99306	1.1
73.02948	17.5
75.00864	1.1
78.36106	0.3
81.03419	0.6
83.01393	6.5
85.02951	18.0
86.00079	0.6
86.03265	0.4
87.00877	1.9
89.02443	7.3
95.01378	2.8
97.02965	1.6
99.00885	7.8
99.04491	0.4
101.02442	32.2
102.02776	0.4
107.01393	0.3
111.00893	0.8
113.02449	16.7
113.06149	0.3
114.02758	0.6
115.04002	1.1
119.03483	0.6
123.04474	0.4
125.02455	2.7
129.01924	0.9
131.03513	1.7
143.03525	2.3
149.04517	0.9
151.00397	0.8
153.12852	0.5
159.03000	3.8
161.04562	18.4
162.04929	0.9
165.61186	0.3
178.99846	0.7
189.02437	0.3
191.05585	0.4
211.13387	0.6
225.14893	0.4
227.03410	1.1
233.06631	1.2
243.02934	0.8
255.02957	2.4
271.02414	2.8
281.96484	0.3
284.03195	0.8
285.03961	0.8
287.25684	0.3
293.08707	0.6
300.02759	5.1
301.03391	4.1
302.04105	0.6
315.18112	34.1
316.18436	4.0
327.04971	0.6
357.06183	0.4
359.16965	0.5
414.76938	0.4
431.74594	0.3
447.09601	5.5
447.22308	100.0
448.09457	0.8
448.22681	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	447.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34789	0.9
57.03456	1.3
58.00602	1.3
59.01387	36.3
61.98836	7.9
63.02397	1.2
65.00324	1.0
70.68908	2.8
71.01395	15.2
73.02953	19.6
74.28333	0.8
78.11961	0.9
83.01378	2.5
85.02953	5.1
89.02463	5.8
93.44659	0.8
95.05034	1.7
97.02962	1.0
101.02452	100.0
102.02788	3.0
102.32775	1.0
107.01384	2.5
109.02974	1.7
109.06605	1.7
111.08170	1.1
113.02474	6.6
118.50150	1.0
119.03478	2.2
121.02982	2.0
122.31180	1.0
125.02472	1.8
131.03476	1.9
137.09753	0.9
151.00391	9.7
153.09294	1.3
161.04561	4.3
163.00359	2.6
163.11244	5.3
178.99883	4.4
181.12354	30.2
182.12651	1.3
195.13986	1.7
199.04256	1.0
207.10257	1.9
211.04022	1.7
220.92934	1.0
223.13351	1.8
225.11339	67.8
225.14966	5.2
226.11661	5.5
227.03525	8.2
243.02922	7.4
245.04396	1.4
249.11378	1.7
255.02994	20.8
256.03354	2.1
267.12402	9.0
270.35318	1.1
271.02478	27.7
272.02908	2.8
284.03186	6.5
285.04010	6.0
289.07211	1.5
297.13489	1.3
300.02765	42.6
301.03522	38.7
301.16534	4.2
302.03897	3.4
314.04294	2.5
327.05200	2.2
327.14450	5.4
357.05685	1.0
357.15546	2.9
387.20428	2.7
391.04446	1.1
447.09372	43.6
447.22467	2.1
448.09839	5.8
454.39590	1.1
457.05862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96869	4.4
56.51705	5.0
57.03455	10.7
59.01385	100.0
60.97816	3.8
61.98833	29.6
69.34445	23.6
69.34871	13.2
71.01395	14.0
73.02942	4.2
78.95896	9.6
83.05038	10.0
84.54704	4.5
85.02931	4.6
89.02464	4.6
95.05023	4.7
97.06583	5.4
98.19889	7.4
101.02451	9.9
107.36266	4.7
108.02284	4.0
111.04531	4.6
113.02443	10.4
117.03476	25.6
119.05029	26.5
120.54139	3.5
121.06555	4.4
139.11296	12.2
145.02957	71.3
151.00363	15.6
152.99615	17.5
153.09241	6.5
161.02426	15.7
161.04553	7.9
163.04018	21.6
178.99902	4.7
183.10275	5.9
187.11206	4.3
189.09103	5.2
211.13359	10.7
221.19084	7.3
225.14998	13.7
227.03506	19.0
233.11874	7.7
243.02963	9.5
245.11771	6.3
255.02985	40.2
263.13025	5.0
265.18045	6.0
271.02451	36.7
272.02786	6.5
277.10693	8.3
283.18967	5.2
284.03320	20.9
285.03900	11.3
297.04065	6.8
300.02740	78.8
301.03458	52.1
301.20120	10.3
327.05066	14.3
357.05920	7.1
358.01337	4.3
384.81192	4.3
387.20020	9.7
401.23337	4.3
403.24927	5.4
447.09396	84.5
447.23755	70.3
448.09848	5.7
448.24313	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	447.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34542	0.3
57.03445	0.7
59.01383	7.4
61.98844	2.6
68.73702	0.3
69.03477	0.3
70.02417	0.6
70.02817	0.7
71.01374	1.8
72.99255	0.3
73.02958	0.6
78.95911	60.3
83.05002	0.4
85.02953	0.9
87.00896	0.4
89.02443	0.7
96.96971	7.3
97.06622	0.4
98.20600	0.4
101.02457	0.7
107.01364	0.4
109.02923	0.4
111.00887	0.3
111.30019	0.3
113.02469	0.7
121.03027	0.4
133.02934	0.6
149.00105	1.4
150.98030	2.0
151.00380	1.2
152.99599	100.0
153.09204	0.7
153.99918	2.4
161.04535	1.3
163.00377	0.5
171.00659	3.6
178.99850	0.5
200.58720	0.3
211.04132	0.3
225.14902	1.9
227.03575	1.7
243.03001	0.8
255.03009	3.1
271.02539	3.9
272.03146	0.4
284.03314	2.0
285.04068	0.7
293.21317	0.6
299.16092	0.3
299.99408	0.5
300.02759	6.2
301.03534	5.3
302.03922	0.4
311.22235	0.5
327.05182	1.4
332.14694	0.3
332.25342	1.1
333.25546	0.6
343.15820	0.4
357.06274	0.5
387.20398	0.9
403.24774	0.5
446.32413	0.6
446.68344	0.9
447.09109	4.0
447.13626	6.9
447.21912	10.8
447.32724	1.0
448.09589	1.0
448.15088	0.4
448.22333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40755	0.5
56.83732	0.5
57.03456	1.1
58.00593	1.2
59.01381	100.0
60.01700	1.3
61.98837	10.1
69.57763	2.0
69.58172	1.6
71.01382	21.2
72.99334	1.1
73.02965	1.3
78.59978	0.5
83.01398	1.3
84.43677	0.6
85.02950	3.8
87.00892	0.8
88.98801	1.3
89.02450	30.3
95.01409	1.4
101.02448	11.1
113.02468	10.0
119.03499	13.6
119.04297	0.9
131.03555	1.9
137.09775	0.8
143.03461	3.4
149.04588	1.8
161.04547	7.9
163.11208	0.7
164.16148	0.6
179.05606	14.4
179.66035	0.5
207.13959	0.8
224.30939	0.6
225.14989	2.8
235.19975	0.5
369.19266	1.5
387.20343	4.3
447.23013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01378	46.7
61.98817	4.1
69.03448	2.4
69.80446	7.6
71.01388	8.7
72.99299	1.4
83.14447	1.1
85.02951	2.9
86.80479	1.2
87.00877	2.5
89.02449	10.2
95.01422	2.6
97.02962	1.9
101.02450	6.1
108.02192	1.4
109.02944	3.6
113.02459	4.6
119.03517	2.8
123.00875	10.5
124.01659	15.8
125.02451	49.3
126.02744	2.0
133.05045	10.4
135.04602	1.4
137.02449	3.8
138.05617	12.5
139.05960	3.9
149.02391	2.2
149.11230	1.5
149.99586	23.0
151.00392	7.2
153.01938	1.6
161.04439	1.8
167.03491	3.0
168.00645	49.4
169.01422	7.5
179.05565	2.3
195.02975	25.1
210.03333	2.7
210.05336	48.5
211.05634	3.5
225.07675	100.0
226.07950	6.7
285.16971	2.6
285.66214	1.4
313.05667	9.6
318.14435	1.4
447.11371	95.0
447.50638	1.4
448.11737	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	447.1509
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
55.01877	1.9
57.03440	3.2
58.00589	4.8
59.01381	100.0
61.98830	13.9
65.33667	1.1
69.03449	2.0
71.01385	55.0
71.62193	1.1
72.99318	7.6
73.02942	6.7
74.99106	1.7
75.00896	2.4
83.01381	4.4
85.02954	14.6
87.00890	7.8
89.02448	56.6
90.02861	1.1
95.01391	4.5
97.02956	2.9
99.00872	4.5
101.02448	41.1
102.02785	1.6
105.04967	1.2
108.02162	1.9
109.02957	2.3
109.47298	1.1
111.04495	1.6
113.02448	19.3
118.98095	1.9
119.03500	24.5
120.03819	1.5
121.02975	1.8
122.03696	1.7
123.00867	4.1
123.04543	1.7
124.01688	6.2
125.02467	18.0
131.03510	5.8
133.05080	3.7
136.99040	1.7
137.02461	5.8
138.03232	5.7
138.05608	14.2
139.03967	3.4
139.05965	8.4
140.07172	22.1
143.03476	2.2
149.04520	4.6
149.99582	9.4
151.04044	2.2
152.01117	1.9
152.04636	1.5
153.01949	1.5
153.05585	6.8
161.04558	6.9
163.03954	2.1
166.05220	1.5
167.03384	1.5
168.00639	14.9
169.01349	2.4
175.03946	1.7
179.00008	1.9
179.03462	1.8
179.05588	5.1
180.04250	1.7
191.05597	3.0
193.04985	4.0
195.06590	2.6
197.04529	2.4
207.13759	1.3
209.08246	2.0
214.94107	1.3
237.04048	4.8
239.12852	1.8
252.06384	9.1
267.08749	21.8
268.09079	2.6
285.04089	2.3
285.13449	1.9
285.16705	1.5
293.08646	1.2
300.02609	1.3
313.05539	4.4
315.07263	3.2
315.10867	13.4
387.20285	1.9
401.18140	2.5
447.15677	85.9
447.21558	4.6
448.15799	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	447.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
61.98872	0.4
62.96405	1.2
67.13452	0.3
70.40573	0.4
70.40925	1.1
74.63430	0.3
76.38773	0.3
78.95907	42.2
81.28745	0.4
83.05706	0.3
83.39168	0.3
96.96944	2.1
111.14782	0.3
116.88794	0.3
138.60443	0.4
149.00101	20.8
150.00459	0.5
152.99568	1.4
158.92572	1.8
168.99681	0.4
179.01178	3.0
205.16008	1.2
255.03082	0.8
267.11432	0.6
271.02454	0.5
287.67102	0.5
300.02808	1.1
301.03497	1.2
314.38150	0.4
347.07910	0.7
417.12439	1.0
431.10275	3.0
447.13452	100.0
448.13834	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93517	0.9
59.01376	12.9
61.09292	0.9
61.26858	0.8
61.98830	8.1
63.94395	0.9
71.01379	1.3
79.01904	2.0
80.64516	0.9
83.89156	0.9
89.02453	2.0
91.58936	0.9
94.93839	0.9
97.02929	1.1
105.03485	1.0
106.07560	0.8
109.02924	4.3
121.02954	3.6
125.02480	1.3
133.02954	23.6
134.03722	1.5
135.04518	4.1
149.02390	1.6
151.00343	1.6
161.02463	2.3
163.00365	3.1
163.03972	3.5
165.01920	3.3
175.04027	6.7
177.01836	1.9
182.88863	0.8
183.04469	1.1
198.03183	1.1
199.03993	3.3
199.07581	1.3
201.01936	2.4
208.76918	1.0
209.06013	1.1
211.03999	1.5
212.04816	1.1
213.05544	1.4
225.05505	2.9
227.03520	1.0
227.07080	1.1
240.04303	1.6
241.05038	2.2
253.05014	2.1
255.03009	1.1
269.04568	3.7
276.67023	1.0
284.03317	8.6
285.04019	16.1
286.04327	1.4
297.04044	29.3
298.04761	19.2
299.05569	35.4
300.06015	4.0
311.05661	8.2
312.06152	1.1
324.02811	1.5
325.03543	2.7
327.05075	100.0
328.05411	10.4
339.05087	11.6
340.05472	1.3
341.06558	2.0
357.06137	56.8
358.06546	5.1
369.06131	2.5
387.07330	1.9
387.19974	1.3
409.92322	0.9
411.07056	1.1
429.08365	10.0
430.08694	1.4
447.09326	54.7
448.09567	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	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.44888	0.6
57.03446	2.1
58.58842	0.6
59.01382	100.0
60.01724	1.0
68.53754	0.7
69.38580	3.3
69.39003	2.7
71.01389	19.3
73.02943	4.0
83.01400	2.4
85.02953	7.3
87.00857	1.1
89.02457	7.6
94.23372	0.8
95.01405	1.2
95.04999	0.7
97.02953	1.3
99.00892	1.5
101.02446	12.8
109.02978	1.2
112.23108	0.7
113.02465	8.6
119.03542	2.1
133.02960	5.0
138.06877	7.4
143.03554	1.9
153.09219	23.1
154.09586	0.9
159.02986	2.5
161.04564	19.8
163.03949	1.0
165.02051	1.2
170.06969	0.7
179.04263	0.8
179.05684	3.0
191.03566	1.0
207.14037	1.8
225.14964	44.1
226.15392	3.0
284.03323	1.9
285.04031	2.2
297.04050	4.1
298.04749	3.6
299.05576	6.4
327.05099	32.4
328.05505	4.4
339.05069	0.9
341.19724	0.9
357.06085	8.3
369.06274	1.2
387.20248	21.3
388.20679	2.0
431.19467	0.8
447.09424	6.7
448.09576	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	1.1
65.00338	2.1
80.03233	0.8
83.01385	1.8
98.20664	1.7
107.01402	4.3
108.02191	2.0
109.02979	3.6
121.02967	4.6
135.00859	1.0
148.01704	2.8
149.02437	1.0
151.00377	19.0
163.00371	3.7
178.80190	0.8
178.99854	8.1
183.04610	1.2
190.99835	1.0
199.04036	2.0
201.05609	1.8
211.04070	1.9
215.03479	1.9
226.02719	2.3
227.03543	3.9
229.05070	1.3
243.02968	10.2
245.04579	3.7
254.02255	2.2
255.03009	32.2
256.03287	4.2
271.02496	53.6
272.02924	5.7
273.04080	1.4
283.02484	1.8
284.03168	1.0
299.01755	1.9
300.02774	100.0
301.03503	93.4
302.03873	9.4
360.36673	0.9
387.54034	0.8
447.09344	84.5
448.09671	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
59.15482	0.3
59.19222	0.3
61.43264	0.3
61.98834	1.8
63.02396	0.4
70.01256	0.3
70.34365	0.8
70.34760	0.7
70.88210	0.4
74.03206	0.3
83.01381	0.6
85.02934	0.3
89.02452	0.7
99.92575	0.4
101.02474	0.4
107.01394	0.8
113.02477	0.5
120.91347	0.3
125.02388	0.5
132.02135	0.5
133.23268	0.3
135.00925	0.5
151.00366	2.4
161.04591	0.6
163.00403	0.9
164.01237	0.3
164.84352	0.3
167.05072	0.4
169.01340	0.3
171.04453	0.3
178.99872	0.4
183.04512	1.1
185.06044	0.6
187.03996	0.8
211.04018	1.7
213.05489	0.4
227.03499	67.4
228.03813	6.0
228.05904	0.4
229.05049	1.4
239.03508	0.9
240.04416	0.4
241.04903	0.4
255.02979	85.5
256.03522	13.0
257.04382	1.3
284.03256	70.2
285.03918	23.9
286.04413	1.9
327.05212	1.5
357.05725	0.3
444.70090	0.3
447.09314	100.0
448.09637	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25835	0.4
59.01385	4.2
61.98819	1.0
69.57277	2.9
93.03488	0.5
107.01402	0.8
135.00847	0.7
136.53746	0.5
151.00342	1.9
163.00319	0.5
174.03322	0.6
178.99916	0.6
183.04520	1.5
185.05949	0.5
187.04021	0.6
211.03963	2.8
213.05563	0.6
214.85823	0.5
227.03508	77.4
228.03864	6.5
229.05031	1.7
241.05321	0.6
255.02997	100.0
256.03537	15.9
257.04495	2.1
284.03271	76.0
285.03940	27.0
286.04459	2.0
299.05682	0.5
327.05078	1.1
447.09351	81.8
448.09702	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.53466	0.6
61.98819	1.4
65.00318	0.9
67.26521	0.6
70.53378	1.5
93.03494	0.5
107.01393	1.5
109.02982	0.7
151.00394	3.8
163.00378	1.3
178.99838	1.6
183.04517	1.6
187.03989	0.7
199.78688	0.6
211.03979	1.3
227.03519	74.8
228.03883	7.8
229.05038	2.1
243.02838	1.3
249.09923	0.6
255.02998	92.8
256.03534	16.1
257.04495	1.7
271.02478	5.0
284.03278	68.3
285.03976	28.1
286.04385	2.5
300.02753	8.3
301.03433	7.6
327.05167	1.0
346.51205	0.6
442.62784	0.7
447.09344	100.0
448.09662	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	446.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.5
61.98825	100.0
69.86436	28.3
69.86872	32.2
120.72230	8.7
180.03995	9.4
195.63235	10.2
211.14154	11.6
218.62462	10.1
236.10077	23.0
237.10364	17.6
238.10779	29.2
300.02759	17.0
301.03406	13.5
446.28949	90.3
447.09113	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37819	0.4
59.01384	3.0
61.96007	0.5
61.98820	0.5
63.02410	0.6
65.00338	0.5
69.35767	4.6
71.01394	0.9
98.85595	0.5
105.39887	0.5
107.01353	2.2
109.02921	0.5
121.02990	1.1
148.01678	1.0
151.00356	5.8
163.00360	1.5
171.04510	0.8
175.04074	0.6
178.99858	1.8
187.04008	0.8
197.02495	0.5
199.03992	3.4
199.94531	0.5
201.02005	1.4
203.03488	1.1
215.03448	3.9
226.02722	1.7
227.03481	5.3
228.03899	0.8
242.02193	7.1
243.02966	40.7
244.03360	3.2
254.02138	1.0
255.03000	9.3
256.03317	1.0
257.04556	10.5
258.04895	1.3
270.01703	9.9
271.02478	58.0
272.02850	5.7
284.03262	1.4
285.04065	23.0
286.04742	8.0
287.05212	0.5
299.01996	7.4
300.02750	33.2
301.03467	15.3
302.03775	1.2
314.04337	44.3
315.04929	8.2
316.05435	0.7
327.05078	1.0
357.06104	0.9
447.09326	100.0
448.09644	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	446.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.13247	0.3
58.00591	0.2
59.01381	6.7
61.98833	3.9
68.01423	0.4
69.03465	0.4
71.01391	4.1
73.02956	1.2
79.59767	0.2
81.03465	0.3
83.01366	0.4
85.02956	1.6
87.00880	0.5
89.02444	3.0
95.01379	0.4
97.02973	0.3
98.19890	0.5
99.04552	0.4
101.02437	3.0
103.04015	1.6
108.02134	0.3
109.02951	0.4
113.02469	1.0
119.03516	1.8
121.02960	0.3
122.02484	0.4
123.00880	0.7
123.03264	8.2
124.01662	1.1
124.03685	0.3
125.02473	3.6
126.57613	0.3
131.03503	0.3
133.05109	0.4
137.02434	0.5
138.05612	100.0
139.04083	0.3
139.05962	4.0
140.07190	0.3
143.03548	0.6
149.99574	0.8
151.03964	0.3
152.01100	0.3
152.07188	0.3
161.04547	1.2
163.06136	1.2
168.00691	1.8
169.01385	0.4
180.06654	0.8
197.04535	0.3
211.22598	0.3
225.14973	0.3
247.08075	0.7
274.14969	0.3
300.10587	0.3
307.10208	0.8
313.05585	0.6
315.07312	0.4
383.83667	0.3
446.16544	8.2
446.22070	0.5
447.10919	2.4
447.17068	1.2
447.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08150	0.3
52.81216	0.2
55.01888	0.2
57.03453	1.0
58.03769	0.2
58.83229	0.2
59.01381	6.8
61.98832	12.4
68.01404	0.3
69.03464	0.3
69.70848	1.4
71.01383	4.5
72.99301	0.6
73.02953	1.3
83.01387	0.6
85.02954	1.1
87.00876	0.7
89.02444	3.3
95.01395	0.2
97.02961	0.5
98.19894	0.4
99.04504	0.2
101.02445	3.7
102.02811	0.3
103.04012	1.4
108.02242	0.5
109.02954	0.5
113.02480	1.2
119.03497	1.8
122.02493	0.3
123.00890	1.1
123.03270	9.3
124.01721	1.4
124.03594	0.5
125.02468	4.9
131.03482	0.2
133.05061	0.9
137.02454	0.9
137.04819	0.3
138.05609	100.0
139.03978	0.7
139.05977	3.9
140.04288	0.3
140.07207	0.2
143.03493	0.5
145.05098	0.4
149.99565	1.9
151.00415	0.3
151.04025	0.3
152.01155	0.6
153.01993	0.3
153.09410	0.3
161.04556	1.1
163.06113	1.9
168.00647	3.8
169.01448	0.3
179.05592	0.6
180.06621	0.7
247.08293	0.7
267.08582	0.5
270.63672	0.2
300.10684	0.2
307.10278	1.0
313.05682	1.1
315.07196	0.8
315.10675	0.3
446.16513	9.1
446.21304	1.0
447.11133	6.9
447.16318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00618	0.1
59.01380	3.7
61.98827	0.1
68.01409	0.4
69.03447	0.1
71.01379	1.8
72.99333	0.1
73.02940	0.9
74.58129	0.1
81.03437	0.2
83.01400	0.3
85.02929	0.9
87.00876	0.2
89.02448	1.7
95.01362	0.1
95.05045	0.2
97.02960	0.3
98.20615	0.4
99.00881	0.2
101.02444	2.5
103.04018	1.5
108.02164	0.3
109.02985	0.2
111.33138	0.1
113.02483	0.3
119.03510	0.8
122.02476	0.2
123.03264	9.5
124.03582	0.3
125.02449	1.5
131.03506	0.1
132.36349	0.1
136.07715	0.1
137.04857	0.2
138.02066	2.2
138.05608	100.0
139.05957	4.6
140.07147	0.3
140.46770	0.1
143.03481	0.4
145.05043	0.4
148.38840	0.1
148.43976	0.1
152.01172	0.2
152.07188	0.2
161.04614	0.2
163.06123	1.2
165.04251	0.2
180.06625	1.0
181.78059	0.1
199.83582	0.1
205.07175	0.2
210.07680	0.1
229.32101	0.2
247.08249	0.7
291.59332	0.1
300.10956	0.2
307.10364	0.9
359.83511	0.1
446.16666	8.2
447.17017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39362	0.3
54.31604	0.3
56.86592	0.3
57.03436	0.5
59.01381	3.9
61.98832	100.0
67.08981	0.3
67.29546	0.3
71.01381	2.4
72.99326	0.8
73.02962	0.6
75.00875	0.5
78.95930	0.7
83.01405	0.7
85.02969	0.8
87.00885	0.9
89.02429	2.1
92.28416	0.3
96.96939	0.7
97.02947	0.3
100.24223	0.3
101.02441	2.4
101.67355	0.3
108.02153	1.9
109.02970	1.4
110.03632	0.4
113.02452	0.5
118.98090	1.0
119.03509	0.9
120.15228	0.3
120.93118	0.3
123.03282	1.9
123.04501	0.3
125.02489	1.6
137.02478	0.6
138.05608	21.6
139.04033	0.4
139.06007	0.6
152.01189	2.2
153.01962	0.9
160.03995	0.4
161.04533	0.6
180.06725	0.4
181.05090	0.4
195.02989	0.5
210.05403	0.4
225.07709	1.0
421.05072	0.3
446.07767	0.4
446.16980	2.2
447.10812	3.7
447.17172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74837	0.9
57.03425	2.2
59.01090	1.3
59.01375	18.5
61.98830	100.0
67.47716	0.9
69.03437	1.0
71.01385	11.3
71.10694	2.2
72.99312	2.5
73.02953	1.3
74.99133	0.9
75.00881	1.9
83.01413	1.3
85.02946	4.1
87.00874	7.1
88.98761	1.2
89.02436	10.6
96.97005	1.1
99.04517	1.4
101.02463	7.9
103.04021	1.3
108.02177	1.5
109.02943	2.2
109.04867	0.9
111.00867	1.5
113.02436	3.6
119.03503	3.2
121.06569	1.1
123.00962	1.0
123.03249	4.0
123.04534	1.8
124.01641	1.7
125.02467	7.2
131.03506	1.3
135.04527	1.7
136.07594	1.1
137.02446	3.2
138.05608	57.4
139.04030	1.5
139.05968	2.2
143.03540	1.3
152.01138	1.3
153.05569	1.2
160.03996	3.5
161.02525	1.1
161.04575	2.4
163.06091	1.4
165.01907	1.4
166.02470	1.0
179.03699	0.9
179.05565	3.1
181.01393	3.8
195.02922	3.1
195.06581	1.1
196.03740	7.4
210.05293	3.3
211.06085	9.5
225.07715	7.8
285.04086	1.4
315.07272	2.1
315.10614	1.0
319.16458	0.9
341.38715	1.0
446.16620	5.7
447.15945	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13255	0.4
56.58874	0.4
59.01397	2.3
69.46056	4.0
78.95908	19.4
110.98534	12.0
110.99284	0.7
127.07685	0.5
167.01157	14.4
185.02223	3.5
219.39816	0.4
277.21713	100.0
278.22043	9.5
278.24857	0.8
361.14984	2.5
429.21613	1.2
445.23514	18.3
446.24048	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	445.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90554	0.9
57.03460	1.3
59.01382	100.0
61.98825	2.6
71.12999	2.2
83.05020	1.0
120.72964	1.0
123.04472	0.8
154.21028	0.9
155.44409	0.9
181.06564	1.0
198.98248	0.9
201.12918	1.0
265.14450	1.0
401.23434	1.4
445.07675	2.0
445.26505	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	445.281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09998	1.2
59.01389	11.6
61.98835	17.9
69.03464	66.9
70.03793	2.6
71.01397	5.8
71.57874	1.2
71.58206	1.1
83.05004	2.4
87.04521	20.7
93.03426	1.2
95.05057	1.2
101.02424	1.1
111.08138	2.6
113.02454	21.5
113.06147	1.2
115.03938	1.0
120.17940	1.0
121.02975	1.7
121.06619	1.9
121.45393	1.0
123.08200	1.1
124.01598	1.1
125.09697	1.5
127.11247	1.2
127.93571	1.1
129.05519	1.2
131.03508	24.2
152.01152	4.0
157.12314	1.5
167.03468	3.7
184.18079	1.0
203.70341	1.3
215.12881	1.4
224.33330	1.1
241.01593	1.4
270.01773	1.4
299.02103	1.5
299.56531	1.4
309.71695	1.1
313.23837	5.3
329.23328	2.3
331.24918	40.7
332.25146	5.9
337.21478	1.1
357.24609	1.8
427.26807	1.7
445.07904	3.0
445.22540	8.4
445.28088	100.0
446.23059	2.0
446.28445	15.7
450.72787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.8
57.03446	6.4
58.00595	3.5
59.01383	68.7
61.98830	1.5
69.03461	1.6
69.50487	3.8
71.01385	94.9
72.01734	1.8
72.99304	3.1
73.02949	28.9
75.00881	1.2
81.03466	0.6
83.01395	15.2
84.02184	1.0
85.02955	41.9
87.00870	3.6
89.02451	57.8
90.02740	0.8
95.01385	5.2
97.02944	3.2
99.00890	12.9
101.02448	79.9
101.45180	0.7
102.02782	2.1
111.00914	2.0
113.02454	33.7
115.04021	0.8
119.03506	14.2
125.02474	4.0
127.67522	0.7
129.01926	1.6
131.03508	13.0
143.03477	6.6
149.04556	22.8
150.04817	0.9
151.11243	1.4
159.02980	4.7
161.04564	34.9
162.04927	1.4
173.84428	0.6
175.07634	0.6
179.05600	2.7
191.05640	5.8
193.47658	0.7
205.03542	0.9
233.06689	1.1
278.35623	0.7
313.16565	100.0
314.16891	11.2
357.15839	1.1
445.20819	16.4
446.21030	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	445.208
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01884	6.8
57.03446	6.4
58.00595	3.5
59.01383	68.7
61.98830	1.5
69.03461	1.6
69.50487	3.8
71.01385	94.9
72.01734	1.8
72.99304	3.1
73.02949	28.9
75.00881	1.2
81.03466	0.6
83.01395	15.2
84.02184	1.0
85.02955	41.9
87.00870	3.6
89.02451	57.8
90.02740	0.8
95.01385	5.2
97.02944	3.2
99.00890	12.9
101.02448	79.9
101.45180	0.7
102.02782	2.1
111.00914	2.0
113.02454	33.7
115.04021	0.8
119.03506	14.2
125.02474	4.0
127.67522	0.7
129.01926	1.6
131.03508	13.0
143.03477	6.6
149.04556	22.8
150.04817	0.9
151.11243	1.4
159.02980	4.7
161.04564	34.9
162.04927	1.4
173.84428	0.6
175.07634	0.6
179.05600	2.7
191.05640	5.8
193.47658	0.7
205.03542	0.9
233.06689	1.1
278.35623	0.7
313.16565	100.0
314.16891	11.2
357.15839	1.1
445.20819	16.4
446.21030	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34894	0.5
55.01882	3.8
56.26309	0.5
56.87400	0.4
56.92359	0.5
57.03447	2.4
58.00592	4.3
59.01381	81.6
60.01701	0.6
60.21725	0.4
61.98838	2.5
68.99836	0.5
69.03442	1.3
69.37663	4.5
71.01384	90.2
71.54911	0.4
72.01723	1.4
72.99310	4.2
73.02950	18.9
75.00891	1.0
77.96970	0.5
79.70880	0.5
81.03444	0.5
81.23552	0.4
83.01399	6.1
84.02132	0.6
84.66055	0.5
85.02955	19.4
86.03278	1.1
87.00872	4.1
89.02447	100.0
90.02747	2.5
95.01402	3.8
97.02949	2.5
98.19819	0.8
99.00887	12.2
101.02447	53.1
102.02786	1.4
107.10854	0.4
113.02454	24.6
114.02799	0.8
119.03501	15.0
121.02947	0.7
125.02460	4.4
131.03505	23.9
132.03828	1.1
137.02513	0.5
142.71169	0.5
143.03514	4.0
149.04555	50.6
150.04861	1.8
151.11240	1.6
159.02948	2.0
160.03694	0.6
160.23457	0.4
161.04565	12.3
162.04645	0.5
173.04379	0.5
179.05630	4.0
181.12302	1.6
191.03944	0.8
191.05615	13.3
191.10686	0.5
201.30548	0.5
209.11845	0.9
217.65147	0.5
245.00595	0.5
250.60658	0.5
251.07585	1.0
255.03003	0.6
268.21164	0.5
270.01550	0.7
271.02267	1.0
283.02319	0.6
293.08511	1.5
299.01859	1.0
312.02612	0.6
313.13217	0.7
313.16571	10.9
314.16788	0.9
390.60898	0.5
419.13480	0.6
445.07953	2.1
445.15027	0.6
445.20535	5.0
446.20953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.4
59.01383	100.0
60.01715	1.1
69.52530	1.1
69.52940	3.0
71.01387	19.3
72.99310	1.2
73.02981	1.0
75.56811	0.5
83.01395	0.6
85.02957	3.4
87.00899	1.0
89.02451	34.5
90.02809	0.8
95.01406	0.8
101.02447	9.2
101.45988	0.5
107.84653	0.6
113.02456	9.4
119.03500	13.9
119.04298	1.0
125.02470	0.5
131.03505	1.2
143.03537	3.4
149.04608	1.4
152.08502	0.6
153.09276	1.8
161.04552	5.7
179.05614	16.8
179.07175	1.1
180.05978	0.8
205.12325	0.8
214.95029	0.5
218.58092	0.6
223.00917	0.6
223.13499	1.8
287.71088	0.6
385.18924	1.4
445.20895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23306	0.7
51.26637	0.6
58.96775	0.8
59.01383	100.0
60.01724	0.9
61.33309	0.6
61.98826	5.9
69.62141	4.2
69.62545	1.5
71.01377	9.3
72.99316	0.9
73.02960	1.2
75.00889	1.1
83.01402	1.0
85.02949	1.6
87.00891	1.4
89.02443	11.6
95.06117	0.8
101.02441	6.9
113.02441	4.2
119.03516	5.6
119.05024	1.9
125.02422	1.0
129.02013	0.7
131.03514	0.9
136.32780	0.7
137.02512	0.8
137.06119	1.2
143.03574	1.0
143.79836	0.7
151.00410	1.2
161.04515	3.3
163.04086	1.3
175.04015	1.0
179.05652	2.7
179.10803	1.2
187.11310	1.9
189.01871	0.8
205.12405	1.9
209.11806	1.1
233.11845	2.9
235.05986	0.9
241.01360	4.3
242.02214	1.1
245.01038	1.0
255.03152	1.3
270.01675	3.3
271.02414	3.2
277.14523	1.1
283.02505	0.9
292.97760	0.7
298.01056	1.7
299.01999	4.4
300.02737	1.0
341.03223	2.0
385.18811	2.3
420.28839	0.8
445.07309	6.5
445.20901	1.1
446.08356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40297	0.6
50.56629	0.7
59.01381	100.0
60.01714	2.0
66.15627	0.8
71.01382	14.9
83.01414	0.7
83.05051	2.8
85.02943	1.4
87.00867	0.9
89.02448	33.5
90.02798	1.2
95.01382	0.9
98.19842	1.6
101.02454	10.3
113.02459	9.7
119.03498	14.2
131.03551	2.2
141.73100	0.7
143.03554	2.6
149.04576	1.3
161.04547	5.0
179.05618	18.6
191.48096	0.7
200.74933	0.7
244.37347	0.7
443.45761	0.8
466.39386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15859	0.6
57.03450	0.9
59.01381	100.0
60.01715	1.5
61.98843	0.8
69.03500	0.8
69.61975	1.5
69.62380	3.0
71.01384	13.6
72.99319	0.8
73.02950	0.9
77.46649	0.6
83.01391	1.0
85.02959	3.2
87.00907	0.7
89.02447	16.8
95.01412	1.0
101.02445	8.7
101.03075	0.9
104.06686	0.7
113.02451	4.9
119.03506	8.4
125.02467	1.6
143.03496	0.7
149.04634	1.0
151.71964	0.8
161.04601	2.0
163.11295	1.6
168.00645	1.5
169.15968	0.8
179.05696	2.4
179.10789	2.1
205.12305	7.5
244.68498	0.7
280.57468	0.7
445.13901	1.5
445.20547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	19.9
58.56927	7.1
59.01386	100.0
61.98833	89.7
71.01389	27.2
71.63914	12.7
73.02950	9.8
83.01428	12.8
83.05043	16.9
85.02940	11.3
87.01437	10.0
89.02438	20.0
95.05022	10.7
101.02455	24.7
101.16695	8.0
111.04536	8.2
113.02453	13.0
121.02971	47.7
123.04551	10.1
135.04520	9.5
149.02441	10.7
154.07652	8.9
161.04547	11.7
163.03920	10.1
164.04782	12.0
165.05647	8.3
166.02760	9.2
167.03424	11.9
175.04027	9.8
179.05659	8.5
205.12338	17.9
209.11818	8.8
223.68579	8.5
241.01456	19.0
245.00938	8.6
269.24927	8.3
270.01715	17.9
271.02328	14.8
283.19208	22.6
299.01846	21.2
357.09937	11.6
397.16452	9.6
401.08890	8.6
401.23923	10.0
427.21567	10.9
445.07462	16.8
445.16913	13.5
445.23679	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.2
59.01382	38.3
61.98833	3.8
69.03470	2.5
71.01392	34.3
72.99337	2.5
73.02966	11.1
75.00885	4.2
83.01391	8.3
83.05036	3.2
85.02960	8.0
87.00867	2.3
89.02441	13.7
97.02959	5.2
99.00871	2.5
101.02450	32.7
109.06593	2.9
111.04530	5.3
113.02444	11.4
113.06082	1.7
119.03549	2.7
120.05893	1.9
121.10242	4.7
125.02460	4.3
125.06088	5.7
131.03513	6.3
133.10254	2.9
135.11813	17.7
139.03983	2.1
143.03513	2.9
149.09724	6.7
151.00381	7.6
154.97852	1.9
159.08145	10.6
159.11804	15.2
160.12140	2.0
161.09740	32.3
163.11153	2.3
175.11278	3.3
177.12860	6.5
178.99866	2.9
179.10786	100.0
180.11151	6.1
193.12331	7.7
203.10802	38.7
204.11090	3.3
221.11852	15.3
223.09775	80.5
224.10107	7.1
229.53110	2.5
233.11852	2.8
240.20621	1.9
241.01491	2.9
242.02240	2.0
243.02885	2.0
251.12863	2.4
257.03531	1.8
265.10837	26.1
270.01578	2.9
271.02469	6.8
287.88477	1.9
295.11923	9.4
299.02069	4.7
300.02710	6.7
301.03589	20.0
302.03772	2.2
325.12936	56.4
326.13245	6.5
355.13937	8.3
356.14496	1.9
385.15137	3.7
445.07861	6.3
445.16922	2.1
458.19553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	4.6
59.01383	100.0
61.98833	27.2
66.40659	3.6
71.01385	63.2
71.63639	5.5
72.24478	4.4
72.99317	6.6
73.02961	24.5
74.99086	8.5
83.01391	8.9
85.02960	21.1
87.00886	5.6
89.02448	56.3
93.03489	3.7
95.01366	6.0
99.00886	11.6
101.02454	42.9
107.01376	5.3
111.85164	3.8
113.02480	23.3
119.03486	13.2
125.02470	10.6
125.49100	3.9
131.03499	4.9
131.71671	4.0
135.04506	4.4
135.08122	4.6
137.09695	6.5
143.03539	4.8
149.04535	16.7
151.00380	17.1
155.10808	48.0
161.02480	5.4
161.04584	19.8
178.99844	6.2
199.09683	9.0
245.00784	4.0
265.14404	4.5
270.01730	5.7
271.02481	7.5
301.03436	4.2
313.16504	29.8
323.02008	6.5
327.01404	5.8
341.02887	9.8
347.72830	5.0
373.26108	7.4
409.20569	6.2
445.07809	60.8
445.20728	79.6
446.08182	8.5
446.20975	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	445.2079
Annotation	Dendroside G
Peak:m/z	Relative Intensity
55.01882	3.7
56.59753	1.3
57.01329	1.0
57.03447	41.2
58.00604	1.3
59.01381	100.0
61.98828	4.8
69.03432	1.3
69.46880	8.4
71.01381	36.1
72.99321	3.1
73.02949	8.4
80.73651	1.1
81.03485	1.2
82.95077	1.0
83.01395	6.4
85.02953	15.2
87.00883	2.5
89.02448	23.6
93.03461	2.3
95.01394	4.9
97.02936	1.4
97.50247	1.0
99.00886	4.1
99.04518	21.3
101.01766	1.8
101.02444	37.1
102.32021	1.0
103.04017	1.3
104.37618	1.1
111.00892	2.0
113.02450	15.0
119.03503	11.4
121.02944	1.6
123.00880	21.7
123.03255	1.4
124.01674	38.4
125.02484	11.7
125.09727	2.4
131.03551	1.9
137.02406	7.8
138.03265	12.1
138.05612	20.7
139.00371	2.1
139.04012	48.3
140.04362	1.3
143.03552	2.2
143.99971	1.0
149.09749	1.4
151.04004	1.3
161.04594	10.8
163.06136	1.7
165.05609	1.3
169.11156	1.1
179.05605	7.8
205.12239	1.5
223.13394	4.5
225.95206	1.0
233.36720	1.0
237.15039	1.4
239.16534	3.8
247.13403	1.4
265.14471	3.1
275.60672	1.1
283.08322	3.5
283.15588	2.4
301.09348	7.7
327.20660	1.4
343.10403	4.1
445.20856	93.0
446.21368	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	445.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.03448	79.6
58.03780	1.0
59.01380	54.2
61.98819	3.5
68.54707	0.9
69.03414	1.2
69.61089	6.9
71.01382	20.0
72.99317	1.3
73.02953	4.8
75.00874	1.1
79.29504	0.9
81.03460	1.9
83.01385	3.9
85.02959	6.9
87.00869	1.3
89.02444	9.7
93.03462	5.9
95.01376	3.7
99.00850	1.8
99.04520	41.0
101.02444	25.4
111.00858	2.2
111.19453	1.1
113.02460	7.4
119.03490	5.9
119.05006	1.2
121.02932	3.0
123.00882	52.3
123.04546	1.3
124.01670	80.8
125.02483	21.1
129.01926	1.3
131.03505	1.9
135.37375	1.0
137.02431	11.6
138.03226	25.8
138.05577	14.9
139.00371	2.4
139.04012	100.0
140.04338	3.3
143.03528	3.2
149.02440	1.3
150.03239	1.5
151.03842	1.4
153.01881	1.0
161.04570	10.2
163.06053	1.8
165.05591	3.7
166.52631	0.9
179.05573	3.6
181.05037	3.7
203.05539	2.6
223.13358	2.1
235.13432	1.0
243.08658	1.2
243.14912	1.1
265.14346	1.4
270.21014	0.9
283.08133	8.0
301.09293	15.5
343.10361	9.6
344.10431	1.3
352.96613	1.1
445.13754	3.9
445.21301	9.3
446.21466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38665	14.5
59.01388	100.0
61.98828	41.2
69.31030	89.5
69.31450	38.0
71.01390	44.3
71.05028	14.4
72.08984	11.4
75.00857	11.6
84.16378	12.1
89.02451	28.3
101.02406	13.9
102.54347	12.6
115.76390	12.5
121.02943	21.2
135.04449	15.0
151.00392	25.7
151.07634	13.7
152.01146	88.2
165.01912	36.7
166.02724	47.8
167.03479	89.2
180.04266	58.6
181.05034	75.6
195.06625	37.5
231.14090	15.6
270.01825	21.8
299.02280	19.4
331.79617	13.7
427.21176	16.1
445.07660	50.4
445.17712	77.9
445.23608	28.6
446.17310	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	444.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
57.22076	0.5
59.01379	14.7
61.98830	100.0
71.01385	4.5
73.02917	0.6
82.00612	0.4
85.02942	0.6
89.02444	5.1
99.95755	0.5
101.02463	2.0
108.02230	0.6
113.02448	2.1
114.14281	0.5
119.03487	2.5
129.06303	0.4
135.50491	0.5
137.02490	1.2
161.04523	2.1
161.09712	0.6
179.05678	1.5
179.10825	1.7
197.60886	0.4
205.12370	1.6
223.13495	0.4
268.42953	0.5
341.15948	2.5
367.17810	1.9
433.44995	0.5
444.12741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
58.99632	0.7
59.01379	8.9
61.98834	100.0
63.99267	1.0
69.59182	2.5
69.59604	1.8
71.01391	7.7
72.99325	0.8
73.02931	1.6
75.00883	1.4
81.46620	0.6
83.01401	1.0
85.02974	1.9
89.02467	2.0
92.69288	0.6
98.19866	1.2
99.00900	0.7
99.04503	0.7
101.02453	4.0
102.98608	3.7
103.04021	1.0
108.02181	6.1
109.02972	3.4
113.02481	1.4
119.03478	0.9
125.02488	1.4
152.01160	6.4
153.01944	3.0
161.04678	0.9
190.99881	1.0
192.00279	1.5
196.06619	0.6
206.02290	2.2
207.02614	2.2
221.04500	3.0
221.40283	0.6
222.05040	3.2
278.46707	0.7
281.14023	1.0
282.14352	1.5
329.12338	1.0
363.22348	0.7
373.08038	1.0
444.13412	0.9
444.19565	2.2
445.13751	8.5
445.19717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75406	0.8
55.01873	3.8
57.03449	49.4
59.01378	49.6
61.98832	6.0
69.03450	1.6
71.01384	40.1
71.61684	1.4
72.99300	2.9
73.02943	10.9
81.03462	2.6
83.01392	7.6
83.05037	1.9
83.25649	1.0
85.02957	14.9
87.00880	3.2
89.02445	18.2
93.03456	5.3
95.01410	4.8
97.02958	1.7
99.00882	3.6
99.04516	28.2
101.02448	35.3
102.98589	2.4
103.04005	1.6
108.02157	3.4
109.02955	2.9
111.00867	3.4
111.04543	1.8
113.02469	13.7
119.03516	6.6
119.05087	1.2
119.09386	0.9
121.02966	1.3
122.03752	1.7
123.00887	34.4
123.03240	2.7
123.04571	1.4
123.08164	3.9
124.01677	44.7
125.02473	18.5
125.09747	1.5
129.89381	1.0
135.47433	0.8
137.02438	14.6
137.04922	0.9
137.06038	1.5
138.03247	16.4
138.05614	23.1
138.06731	2.3
138.76747	0.9
139.00395	7.2
139.04019	51.8
140.04372	2.7
143.03513	3.1
149.02400	1.4
151.03992	2.0
151.07712	1.7
152.01184	2.7
152.04733	0.9
153.01894	1.6
153.09175	3.7
161.04529	11.9
165.05504	2.2
167.07111	1.9
171.11745	2.5
179.05615	3.1
181.05054	2.2
181.07224	1.9
182.99300	1.3
193.05087	1.0
203.03593	1.2
203.05489	1.2
205.12346	1.6
223.06151	1.7
223.13380	1.6
237.14929	7.2
239.07124	3.7
239.16617	5.2
247.13472	1.1
265.14554	2.0
281.13922	12.4
283.08359	8.8
283.15387	1.7
301.09293	10.2
343.10226	5.8
359.00345	1.2
445.20770	100.0
446.16177	1.6
446.21237	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	443.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01373	2.4
61.98839	1.7
71.63179	0.8
82.05099	0.6
83.05038	0.9
99.08171	1.5
106.66089	0.6
127.11313	3.1
141.12852	1.9
150.47496	0.7
150.68872	0.7
155.10767	2.6
155.14427	0.9
161.09769	0.6
173.11827	56.8
174.12172	2.4
241.21910	0.9
269.21124	4.7
285.20761	2.3
287.22272	76.9
288.22620	8.4
303.97879	0.7
332.26764	0.7
443.23914	2.4
443.33768	100.0
444.24490	1.1
444.28360	1.1
444.34137	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	444.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14066	1.0
59.01382	10.9
61.98831	100.0
69.81676	4.1
71.01368	2.7
85.02951	1.7
87.35091	0.8
89.02453	3.6
98.19900	1.0
101.02442	2.0
108.02197	1.5
119.03537	1.1
183.85817	0.9
192.45822	1.0
228.36687	0.9
445.19775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
58.88533	0.5
59.01381	6.4
61.98831	100.0
63.99254	0.6
69.95772	1.3
69.96162	1.1
71.01392	4.6
73.02956	1.0
75.00879	1.6
85.02969	1.2
89.02452	2.1
101.02460	2.6
102.98629	2.9
108.02168	4.6
109.02964	2.2
113.02475	1.4
116.65472	0.6
119.03485	0.7
121.02950	0.8
121.48452	0.5
125.02508	1.0
139.07761	0.5
151.03987	0.6
152.01189	5.3
153.01941	2.0
161.04602	0.9
172.12141	0.6
190.99843	0.7
192.00232	1.3
206.02255	1.4
207.02582	1.7
221.04588	1.9
222.04877	2.6
267.12762	0.5
282.14267	1.5
289.59320	0.6
315.07202	1.2
329.12332	0.8
444.12756	0.7
444.19156	1.0
445.13495	7.4
445.19934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23281	1.9
59.01381	61.6
61.98833	21.6
63.41332	2.0
71.01389	3.1
71.63989	2.8
72.99310	17.0
75.00877	6.4
80.17870	2.0
82.70042	2.0
83.05029	8.9
84.72912	1.9
84.78673	2.4
93.03450	3.8
95.05006	2.8
97.06563	2.1
100.81564	1.8
108.02152	7.8
109.06573	2.6
111.04498	2.7
113.02450	2.7
117.56878	2.1
121.02972	38.5
123.00902	4.7
123.04540	11.0
123.08199	3.6
124.01667	14.1
125.09720	3.2
129.97153	2.1
134.03758	2.8
135.04530	23.3
137.02446	3.3
137.09760	2.9
138.03192	2.5
139.04051	7.1
148.01738	3.6
148.05318	100.0
149.02455	41.2
149.05710	5.0
157.10115	2.1
162.03244	4.5
163.04008	82.0
163.07661	77.8
164.01187	2.9
164.04802	77.1
164.07912	4.0
165.05142	5.0
165.09216	4.3
168.00630	20.1
171.10243	3.6
178.06352	49.1
179.03549	2.7
179.07141	52.5
181.06540	2.5
183.02989	29.6
201.12941	2.5
202.10138	2.3
203.14334	4.8
205.12317	6.0
225.05554	2.8
235.13399	3.1
247.13322	12.1
248.13676	2.7
263.12848	2.7
279.12408	5.6
313.07184	8.7
353.17419	3.4
368.16129	5.7
369.16666	2.6
410.17450	3.0
425.19629	6.1
428.18372	4.7
443.20917	46.1
444.21121	7.0
449.38617	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	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62992	0.7
55.08676	0.8
57.03445	3.6
59.01391	7.0
60.51735	0.8
61.00236	0.8
61.98518	1.2
61.98829	20.6
64.69094	0.8
67.27316	0.7
69.03448	1.7
71.01383	28.3
71.63710	1.3
72.99313	10.0
83.05022	1.4
85.02950	7.4
85.03415	1.2
87.00891	1.0
96.96007	1.0
97.02992	1.8
97.06581	1.8
97.27374	0.8
115.00375	10.6
119.05018	1.3
122.63513	0.9
123.04556	1.6
125.09658	1.1
127.11301	1.2
133.01492	4.5
137.02446	0.9
137.09711	2.5
145.02951	1.8
146.96199	0.9
152.01146	0.8
155.10852	0.9
163.04012	2.8
164.04768	1.2
165.12863	1.2
167.03516	2.1
171.10274	19.5
172.10628	1.4
183.13881	2.4
193.12268	1.1
197.11864	1.1
209.11987	1.4
211.13437	8.7
221.11734	1.5
229.14354	6.3
233.17133	0.9
239.12941	1.4
283.06247	1.1
285.04074	3.0
291.19589	2.1
327.21756	100.0
328.22125	12.3
381.13559	2.3
405.24585	1.0
425.21524	2.8
443.22559	5.6
444.13467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70418	1.5
59.01376	100.0
61.98842	1.5
108.86755	1.4
219.45432	1.6
383.31693	2.4
443.33417	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	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44267	1.0
59.01381	100.0
60.01720	1.6
61.98804	1.3
66.62480	1.1
69.67002	1.0
70.11992	2.7
70.12412	3.5
70.61005	1.3
70.73309	0.9
89.38021	1.1
89.78388	1.2
102.50176	1.1
124.19815	1.1
129.71782	1.2
147.04684	1.2
163.67160	1.2
185.92505	1.2
251.73898	1.4
443.24582	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	443.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06641	2.9
56.13938	3.3
57.03421	3.2
59.01382	100.0
61.98812	4.5
66.14362	3.3
69.03423	4.0
69.87293	13.7
74.35690	2.7
98.19737	2.9
100.99561	3.1
111.48705	3.0
112.30763	3.0
117.23251	2.6
132.76709	2.8
149.06145	3.1
183.70076	3.3
227.43121	2.9
243.43843	3.1
263.58340	3.0
443.24561	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	443.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.0
59.01372	2.8
61.98827	2.0
67.10812	0.6
69.03424	0.9
69.29108	0.6
71.01376	1.0
81.03463	1.7
81.54734	0.6
83.05029	17.3
85.68385	0.6
89.16870	0.7
89.58925	0.8
95.05040	1.2
103.03963	0.7
105.05901	0.7
109.06587	4.3
111.08163	84.3
112.08515	4.4
115.73530	0.6
125.09751	1.5
127.11269	0.7
129.09227	4.2
131.90254	0.7
133.68437	0.6
141.12868	0.7
155.07179	1.6
159.10219	0.7
163.07559	1.1
173.08179	32.8
173.09679	1.6
174.08559	1.9
269.21179	4.5
285.20514	0.8
287.22281	24.5
288.22574	2.8
299.00516	0.8
414.98312	0.7
425.29117	3.5
443.30112	100.0
444.25641	0.8
444.30457	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	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64039	0.5
55.01882	6.1
57.03447	5.1
58.00591	1.5
59.01383	33.3
61.47180	0.5
61.98839	1.4
67.61294	0.5
68.99819	0.6
69.03461	1.5
69.38913	3.9
71.01388	72.8
71.36022	0.5
72.01720	1.7
72.99316	2.3
73.02953	26.7
75.00876	2.0
77.61125	0.5
81.03455	0.6
83.01393	12.4
84.02174	0.6
85.02960	36.7
86.00121	0.7
86.03299	1.1
87.00887	2.1
89.02447	12.7
95.01386	4.8
97.02962	2.5
99.00887	12.7
101.02453	61.0
102.02767	1.6
111.00891	1.2
111.09074	0.5
113.02457	28.5
114.02787	1.0
125.02464	3.2
129.01959	2.3
131.03526	2.8
143.03522	4.2
149.04547	1.5
159.02992	7.8
161.04572	52.3
162.04895	2.8
191.05655	0.6
205.03558	1.9
215.05713	0.6
233.06625	1.0
293.08871	0.7
311.15021	100.0
312.15353	9.3
337.96390	0.6
355.14075	0.8
433.90778	0.5
443.19211	11.7
444.19348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Plucheoside C
Peak:m/z	Relative Intensity
55.01881	6.9
57.03450	7.6
58.00592	4.2
59.01381	74.2
60.01700	0.8
61.98829	4.5
66.01538	0.5
68.99813	0.8
69.03455	3.3
70.86749	0.7
70.87064	1.3
71.01385	100.0
72.01724	1.7
72.99306	6.1
73.02950	26.0
74.03284	0.7
75.00875	1.4
80.06996	0.6
80.56262	0.6
81.03459	1.4
83.01389	18.5
83.05030	0.6
85.02953	44.2
86.03288	0.6
87.00880	5.4
89.02448	46.7
90.02745	0.7
95.01400	5.3
95.33272	0.6
97.02966	5.3
98.20720	0.7
99.00886	13.4
99.04490	0.7
100.01180	0.8
101.02446	73.9
102.02774	1.5
111.00890	8.8
113.02455	28.2
114.02774	1.2
115.04010	2.6
117.03481	0.7
119.03502	2.8
123.04487	0.6
125.02444	8.2
127.03992	0.7
129.01947	1.7
131.03511	24.6
135.76022	0.6
143.03490	6.3
145.02957	0.6
149.04559	13.8
153.01979	0.9
159.02985	6.0
161.04561	35.0
162.04851	0.8
179.05708	0.7
191.05624	3.8
205.03439	1.1
215.05659	0.9
231.27448	0.6
233.06683	6.9
263.12961	0.8
281.06674	0.6
293.08801	1.7
293.13785	0.8
311.15002	63.6
312.15347	7.5
355.13889	0.8
416.14594	0.8
443.19168	39.4
444.19601	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	441.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91959	0.8
59.01091	1.3
59.01384	19.7
61.98824	0.8
69.64986	6.1
70.76526	0.8
74.76407	0.9
96.95990	1.6
101.11955	0.9
144.50105	0.9
273.24203	0.9
361.34647	1.9
379.35834	14.8
380.36154	2.1
381.33713	36.1
382.34006	6.6
423.34927	6.5
424.35242	1.3
441.36734	100.0
442.37140	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	442.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
57.03450	1.7
59.01387	19.6
60.01710	2.2
61.98835	100.0
71.01389	15.2
72.01707	1.0
72.99307	2.1
73.02968	5.3
75.00881	21.3
81.03436	0.9
83.01402	4.4
85.02953	4.9
86.03258	1.0
87.00889	1.6
89.02443	7.4
90.02753	0.9
99.00890	1.5
99.98622	1.3
101.02441	21.8
102.02791	1.9
103.00368	0.9
108.02236	1.3
109.02956	1.4
111.04556	1.1
113.02454	4.7
115.05555	1.8
119.03510	2.4
119.04992	1.4
121.02856	1.0
125.02451	2.0
131.03525	2.2
131.05016	4.1
132.03862	0.9
133.06602	42.2
134.02486	3.3
135.23116	0.8
137.02467	2.1
139.07631	1.0
150.03305	0.9
159.03233	1.5
159.04472	7.2
161.04573	2.6
162.04857	1.0
163.04091	1.0
177.05583	2.3
178.02353	1.0
179.05574	1.0
180.22246	0.9
181.05142	0.9
203.03517	4.3
221.04550	32.7
235.11861	6.5
236.12219	8.4
238.84610	1.0
249.13416	1.0
281.13953	5.2
294.39536	0.9
310.16064	1.4
323.07657	1.7
381.17685	1.7
382.18018	15.2
383.18268	1.6
442.18964	1.3
443.11859	2.2
443.19263	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	442.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72990	0.5
59.01384	7.0
61.77372	0.6
61.98834	100.0
62.98547	0.7
71.01382	3.8
71.62772	0.8
72.01714	0.8
73.02969	2.1
83.01415	1.3
85.02959	2.2
89.02469	1.0
99.98656	1.6
101.02444	4.7
102.02804	0.8
113.02473	1.4
114.50095	0.5
136.82536	0.6
161.04626	1.6
171.11880	0.5
191.68661	0.5
206.02197	0.8
208.46407	0.7
221.04547	1.3
235.11816	3.4
236.03871	0.9
236.12233	4.4
248.72821	0.7
281.14056	1.1
381.17719	1.4
382.17990	10.7
383.18298	1.0
442.17548	3.2
443.19589	1.2
465.49832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54651	0.6
56.18241	0.6
56.38223	0.5
57.54152	0.5
59.01387	4.7
60.01745	0.6
61.98835	100.0
69.47052	3.1
69.47460	1.6
71.01401	1.7
73.02952	0.6
85.07287	0.6
88.28346	0.5
89.02441	0.8
91.19637	0.6
101.02463	1.8
119.65440	0.5
122.08444	0.6
124.98281	0.5
155.14583	0.6
161.04530	0.6
184.67036	0.6
190.99931	1.1
206.02281	1.1
221.04568	2.9
235.11897	1.4
236.12241	1.0
287.80664	0.6
297.69299	0.6
317.24258	0.7
375.71906	0.7
382.18301	2.0
442.19107	1.7
443.19144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.86428	0.7
55.01876	1.7
56.80928	0.7
57.03439	1.2
58.00594	1.4
59.01380	39.8
61.98833	3.5
63.93917	0.7
69.90758	3.3
70.70735	0.7
71.00989	1.5
71.01383	28.8
72.99306	2.9
73.02956	5.7
75.00868	0.8
83.01399	3.6
83.05030	1.5
85.02950	9.5
87.00901	1.8
89.02442	19.3
95.01379	2.6
95.34963	0.7
97.22923	0.7
99.00890	2.0
101.02440	18.6
111.04524	1.1
113.02454	9.5
119.03500	7.5
133.06586	1.5
137.02472	0.7
143.03481	0.8
152.01154	1.0
159.04561	0.9
161.04500	1.8
189.12796	1.7
221.04593	1.9
227.03725	0.8
237.14992	1.5
237.73799	0.8
281.14011	2.1
289.82065	0.7
443.19199	100.0
444.19553	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3219
Annotation	oscr#33
Peak:m/z	Relative Intensity
59.01377	2.5
61.98817	0.9
63.68007	0.7
66.40520	0.7
69.36030	5.5
69.36445	1.4
72.99289	1.0
96.96023	4.1
98.00079	2.7
103.26123	0.7
162.83885	3.5
163.59108	0.8
164.83635	3.8
239.76208	0.8
248.35881	0.8
251.91617	0.7
277.21735	1.9
333.31699	1.1
335.33182	48.0
336.33511	7.2
351.32626	6.7
353.34180	1.5
359.22382	0.9
361.30893	1.1
379.32175	29.7
380.32410	5.0
397.33209	11.5
398.33594	1.7
423.31137	47.0
424.31522	9.0
441.05853	2.4
441.32147	100.0
442.05060	1.6
442.32407	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3222
Annotation	oscr#33
Peak:m/z	Relative Intensity
57.03461	4.5
59.01374	8.3
61.98815	1.0
79.48466	0.8
79.95728	3.2
80.73009	0.7
83.05049	1.6
90.17625	0.8
95.05029	1.7
95.13280	0.8
96.96015	19.6
97.06590	15.9
122.97587	1.4
123.08175	7.9
125.09724	86.7
126.10067	4.7
135.46970	0.8
143.10722	1.2
169.08730	2.0
178.17302	0.9
187.09753	28.7
188.10083	1.6
225.22110	1.0
231.21744	0.9
253.21629	1.5
271.22775	30.1
272.23160	2.8
301.27103	0.9
353.33276	1.1
379.32095	2.2
400.15979	0.8
423.31055	3.7
441.25290	24.1
441.32108	100.0
442.25607	3.1
442.32443	16.0
442.52902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.5
59.01379	100.0
59.60349	3.6
64.23286	3.6
67.17397	3.7
74.56601	4.0
98.11716	4.8
161.04482	4.6
277.25708	3.9
441.26691	9.7
441.31818	10.4
441.37476	20.1
442.37808	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	441.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.45806	22.9
74.99103	4.5
79.36464	2.6
98.20635	5.2
98.29082	3.6
107.27845	3.6
114.70768	2.8
135.67622	2.8
153.92279	3.3
155.86377	2.9
163.00784	4.5
280.16467	3.0
313.26688	3.0
368.25620	3.3
387.68964	3.4
441.26065	4.4
441.31937	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	441.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76777	1.2
53.46119	1.3
55.33652	1.5
55.97411	1.2
57.03450	2.2
58.00590	2.5
59.01382	20.2
71.01387	21.2
73.02959	7.3
75.00876	4.8
85.02962	7.1
89.02447	4.8
95.05036	2.0
97.06615	1.9
101.02461	10.6
101.03046	1.9
113.02468	12.1
117.77034	1.4
125.06056	2.3
152.22310	1.4
178.42191	1.5
275.23761	2.3
279.23294	100.0
280.23621	11.3
293.24866	31.4
294.25162	4.5
303.23331	3.9
321.24356	12.7
333.24341	8.6
351.25473	3.8
379.32550	2.4
441.31952	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	441.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.2
70.81685	7.4
70.82031	3.5
71.01403	18.5
73.02925	4.6
75.00871	3.3
85.02934	5.7
96.96019	6.1
101.02445	4.7
113.02423	10.7
121.31301	3.2
144.59142	3.4
233.47108	3.6
279.23312	100.0
280.23587	14.0
293.24615	4.1
307.80365	3.1
321.24280	12.6
333.24521	3.9
363.29034	6.9
381.30084	8.8
441.25583	10.1
441.32181	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.4
71.01379	27.1
71.63795	2.3
73.02954	7.6
75.00886	10.2
76.88963	2.3
83.01369	2.1
84.01104	2.1
85.02946	8.8
89.02452	7.3
95.01378	3.0
101.02441	6.3
103.71230	1.9
108.49069	1.8
113.02451	15.4
147.02954	2.0
279.23285	100.0
280.23492	12.7
289.25351	2.9
293.24908	15.3
294.25266	2.3
303.23361	3.3
305.24997	2.6
321.24344	21.7
322.24695	3.1
333.24359	11.7
351.25714	4.4
441.26578	2.9
441.31943	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	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28051	12.2
53.50882	13.7
55.51911	13.1
58.99613	22.4
59.01375	40.5
59.27129	13.4
61.98821	53.5
64.58850	14.4
65.43176	16.7
67.72923	15.0
71.01369	17.0
71.38820	15.0
71.39162	18.5
74.06349	14.0
75.00856	15.2
89.02438	23.6
101.02418	35.3
113.02512	17.9
125.02452	23.3
132.97882	93.9
137.02460	17.7
142.69684	14.8
172.62752	14.4
299.55499	17.8
368.43158	16.5
423.07202	49.1
424.07733	17.9
441.18820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76237	5.0
54.18287	5.6
59.01379	54.0
61.98826	100.0
66.81150	5.4
69.56422	41.2
71.01390	34.3
72.99325	11.8
73.02949	22.1
75.00878	12.7
84.88239	5.2
85.02967	13.7
87.00861	6.7
89.02433	15.2
93.71502	5.2
97.02973	6.5
101.02460	22.9
113.02490	12.1
119.03519	6.4
123.04501	7.5
125.02450	22.9
137.02438	7.1
142.80492	5.0
195.06725	6.3
305.65500	6.5
309.15433	10.7
340.08124	5.6
423.07214	8.7
441.19177	58.9
442.18759	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
57.03453	2.3
58.00631	1.3
59.01089	2.6
59.01382	50.7
59.69109	1.3
61.98832	100.0
65.55180	1.5
65.66352	1.5
69.40063	11.4
70.61037	1.2
71.01389	24.6
72.99316	1.5
73.02947	14.1
83.01397	8.8
85.02960	13.3
87.00891	1.6
89.02444	4.6
99.00891	5.7
101.02447	35.1
113.02448	13.5
115.67389	1.5
121.10415	1.3
125.02425	5.1
139.00334	1.3
143.03581	2.4
146.31908	1.6
159.02995	2.0
161.04591	10.8
215.42230	1.5
235.09500	2.0
235.11874	57.2
236.12186	4.7
381.17642	77.0
382.18048	9.1
441.17429	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28127	1.4
55.01883	2.5
57.03445	5.8
59.01379	82.3
60.01738	2.1
61.98826	13.3
69.03463	1.7
71.01379	28.8
71.61933	2.4
72.99331	2.3
73.02949	12.7
83.01395	6.0
85.02959	17.0
85.59823	1.4
86.57518	1.3
87.27289	1.4
89.02437	5.8
97.02969	2.0
99.00896	5.0
101.02441	41.3
109.02963	3.4
109.06577	1.8
111.04517	1.6
113.02448	16.9
119.03495	1.7
122.03743	4.5
124.05305	4.3
125.02448	2.4
125.06081	1.8
131.03503	36.7
137.06062	3.7
139.07646	32.0
140.07994	2.3
143.03499	2.3
148.76813	1.7
151.04005	1.9
159.03015	2.1
161.04561	13.6
168.07870	7.7
169.08665	3.6
187.11295	8.0
189.09378	1.5
205.12401	7.7
231.10120	1.4
235.13351	2.0
249.13437	100.0
250.13855	7.5
261.11368	1.8
279.12363	22.4
280.12616	2.2
303.12405	1.7
315.23239	1.5
381.17651	28.8
382.18045	2.7
405.21231	6.1
405.35583	1.5
414.25253	1.6
441.19070	15.9
442.18964	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	441.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03444	1.4
59.01384	9.3
61.98815	3.2
69.03450	3.6
69.90463	1.0
70.23083	2.2
71.01381	9.2
73.02950	7.5
75.00874	3.6
78.59073	0.8
83.01367	1.4
85.02929	1.5
89.02464	4.2
97.24905	0.9
98.19910	1.1
101.02446	100.0
102.02765	2.7
105.01930	2.5
108.02158	2.7
109.02969	1.5
109.33630	0.9
113.02428	2.9
119.03452	2.8
125.02430	1.4
125.06110	2.0
127.07661	1.5
131.03506	1.1
135.04503	3.1
137.06052	1.3
139.11288	4.4
152.01195	2.5
161.04437	1.3
179.03508	3.6
179.05469	1.2
183.10265	24.9
184.10556	1.4
197.11763	2.3
221.06631	2.2
225.11301	11.5
237.11267	1.3
241.14423	1.0
255.12357	7.5
285.13470	3.2
441.14206	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	441.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75890	1.7
55.01880	4.9
57.03452	11.0
58.00595	3.4
59.01383	80.0
61.98837	18.4
64.17142	2.0
67.01891	1.9
69.03450	3.9
69.86847	10.5
71.01384	85.5
72.99313	7.0
73.02949	26.0
75.00856	4.9
78.65928	1.7
78.95915	4.4
83.01396	14.4
85.02954	38.0
86.03294	1.8
87.00384	3.1
87.00883	43.3
87.04533	2.2
89.02441	47.4
95.01359	5.0
96.96033	1.9
96.96951	5.5
97.02948	3.8
99.00880	8.3
101.02449	72.2
102.02772	2.6
103.04010	3.5
109.02963	2.3
111.00887	75.8
113.02457	34.1
114.02859	2.4
115.04025	5.8
116.92883	1.9
117.01926	5.1
117.05588	15.0
119.03499	17.3
125.02454	8.9
129.01878	2.7
131.03523	8.8
133.05040	15.2
134.91380	2.1
141.01877	2.5
143.03497	11.9
145.05106	2.6
149.04552	5.8
159.02977	5.4
161.04543	25.4
163.06111	4.2
173.00917	8.3
177.01913	3.0
179.05663	13.4
189.07690	10.4
191.05542	2.2
205.07182	4.1
218.66454	2.2
221.06847	2.3
235.08069	2.2
279.10849	64.4
280.11194	5.0
336.41315	1.9
352.45944	2.0
381.14047	5.4
423.07419	2.1
441.16183	100.0
442.16776	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	441.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42640	1.3
55.01884	1.6
57.03456	2.0
58.00601	4.6
59.01381	100.0
60.01731	1.5
61.06767	1.3
61.98827	11.2
62.76718	1.3
69.03507	1.1
71.01381	64.3
71.62223	1.4
72.01723	1.6
72.99325	6.0
73.02959	6.0
81.39669	1.3
83.01416	5.2
85.02956	19.2
87.00874	3.9
89.02448	69.7
90.02758	1.4
94.61025	1.4
95.01386	6.6
97.02982	2.5
98.16679	1.2
99.04547	1.7
101.02444	53.9
102.02808	1.7
107.05059	2.2
108.02180	13.2
109.02964	17.2
113.02455	23.3
119.03493	29.0
121.06586	3.0
122.03794	2.3
123.04542	2.1
124.05301	1.8
125.02449	1.9
131.03500	1.9
133.06584	15.4
135.04539	3.0
136.05315	1.4
137.06073	3.2
139.07654	19.9
143.03563	3.4
149.04616	3.2
149.06120	4.8
152.01178	10.1
153.01956	3.7
161.04532	13.3
163.03986	1.6
169.08713	2.4
179.03616	2.3
179.05675	6.3
183.10329	5.5
204.11511	2.0
205.12428	4.3
217.12350	7.1
235.13441	4.7
261.11508	1.9
315.07297	2.5
330.13214	28.0
330.16849	2.2
331.13943	14.9
332.14487	2.0
397.18613	6.5
441.17911	82.7
442.18234	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50273	1.9
58.00613	3.4
59.01383	100.0
61.05001	1.7
64.12575	1.8
70.16148	3.2
70.16541	4.3
71.01385	16.2
73.02944	6.4
75.00879	4.4
85.02949	2.6
89.02442	3.9
95.45035	1.8
98.20586	3.8
101.02451	8.8
113.02433	3.6
242.22079	3.4
273.22327	3.8
277.21713	77.9
278.21997	9.2
291.23282	13.3
319.22754	11.3
331.23087	4.5
349.23743	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.8
58.00604	3.1
59.01089	2.4
59.01377	28.2
61.98845	2.5
62.89409	1.2
69.03446	1.8
69.12505	1.2
69.41617	2.7
69.42033	10.0
71.01380	29.9
72.99311	2.5
73.02954	9.3
75.00871	6.1
83.01376	2.7
85.02947	10.1
87.00902	1.4
89.02452	7.6
95.01433	2.8
98.20872	1.6
100.69879	1.3
101.02443	11.2
110.20261	1.2
113.02447	18.4
118.13220	1.2
119.03514	1.6
120.99103	4.6
122.73635	1.5
125.06123	3.5
139.07640	2.1
149.90457	1.2
176.08330	1.3
255.21381	1.8
273.22235	8.2
277.21713	100.0
278.22061	12.5
287.23914	2.0
289.21625	2.4
291.23267	32.1
292.23553	2.5
301.21732	5.1
302.22424	1.8
319.22754	17.4
331.22775	12.2
332.23068	1.9
349.23822	3.7
375.25693	1.3
402.18259	1.4
438.40851	1.4
439.30548	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	439.3427
Annotation	Passifloricin A
Peak:m/z	Relative Intensity
59.01385	8.5
69.31583	2.4
69.31991	10.0
70.34272	1.1
71.05038	1.3
106.94145	1.1
119.66856	1.1
137.02597	1.3
169.60764	1.2
175.47578	1.1
231.65097	1.4
307.30063	2.4
335.32956	2.2
336.72977	1.2
337.31027	2.1
349.34937	1.8
359.33322	2.4
377.34372	10.9
378.34662	1.6
379.32147	21.6
380.32370	3.2
395.35239	26.2
396.35541	4.4
403.32169	11.9
404.32587	1.9
421.33194	22.9
422.33569	5.1
439.34274	100.0
440.34552	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
58.00588	1.3
59.01386	11.4
61.98832	3.8
69.03468	2.2
69.36468	2.8
69.36892	3.4
71.01385	10.0
73.02955	9.4
75.00879	6.3
77.76577	0.8
83.01402	1.2
84.27667	0.7
85.02954	2.6
89.02460	5.3
97.02977	1.0
98.19833	1.3
99.04508	1.1
100.16230	0.7
101.02453	100.0
102.02784	2.2
105.01958	2.7
108.02176	1.0
109.02985	1.1
113.02454	3.9
119.03481	2.8
125.02431	1.0
125.46928	0.8
131.03465	0.9
135.04529	1.7
137.06108	1.0
139.11302	5.8
152.01129	0.9
155.07089	1.0
161.04599	1.5
166.67163	0.7
178.08974	0.8
179.03542	2.1
182.31738	0.7
183.10275	29.9
184.10571	2.2
186.14650	0.8
197.11813	2.2
221.06676	3.2
225.11353	15.1
226.11731	1.4
237.11461	1.2
241.14352	1.5
255.12363	8.8
256.12799	1.1
285.13501	3.9
374.89297	0.8
441.14932	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	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96988	0.4
59.01380	0.6
67.13000	0.3
69.76926	1.9
71.01405	0.6
78.95911	50.9
79.95756	0.6
89.02456	0.4
96.96038	24.8
96.96969	100.0
99.99438	0.4
101.02473	0.7
110.98566	0.7
152.24855	0.4
439.08450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	2.5
57.03458	3.8
59.01373	30.4
60.75513	2.6
63.06960	2.7
64.53475	2.8
65.81214	2.8
70.55917	8.6
71.01382	31.9
73.02957	12.4
74.34595	2.5
75.00887	5.8
82.30470	2.5
83.05043	3.3
85.02959	10.3
89.02442	7.0
99.18469	2.7
101.02462	7.6
113.02435	16.9
153.95988	3.0
160.04439	3.5
169.62296	3.0
175.44209	2.8
192.42780	2.7
223.61288	2.8
257.94131	3.0
273.22293	5.6
277.21689	100.0
278.22083	11.6
291.23309	24.7
319.22778	16.2
331.22806	10.4
342.74292	3.0
349.23975	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19025	3.4
59.01387	9.5
69.35912	32.2
71.01369	24.9
71.31115	3.8
75.00887	6.1
77.76157	4.0
85.02962	5.3
89.02467	6.9
91.11084	3.6
101.02430	9.5
104.36109	3.8
243.61046	3.9
277.21716	100.0
278.22058	14.3
301.21805	5.7
319.22766	7.2
320.23276	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	438.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
59.00874	0.5
59.01384	4.1
61.98836	100.0
71.01392	2.3
71.63574	0.5
73.02961	1.0
83.25721	0.6
85.02969	1.0
89.02463	1.1
101.02472	2.1
109.02996	0.7
113.02504	0.6
118.50705	0.5
119.03528	0.7
123.84306	0.5
125.02457	1.3
137.02493	1.3
143.10774	0.6
143.99251	0.5
151.11313	1.8
157.12355	0.6
160.04146	0.8
163.04088	1.3
179.03600	0.5
180.04192	0.5
195.10263	2.8
209.45638	0.4
262.79398	0.5
265.04547	0.5
275.14063	2.3
276.14389	4.0
320.58673	0.5
418.61374	0.5
434.19919	0.5
438.10895	0.7
438.20209	0.6
439.20724	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	438.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06571	1.0
59.01381	11.7
61.01809	1.5
61.98833	100.0
65.96628	1.2
71.01367	1.8
78.49079	1.0
104.62988	1.1
109.03004	1.1
117.63027	1.2
124.01684	1.8
125.02440	3.8
137.02452	1.7
149.99536	1.3
168.00624	2.5
175.04012	2.9
192.11942	1.2
232.32333	1.1
250.48923	0.9
300.55130	1.2
331.06506	1.2
418.53217	1.1
438.10468	2.5
439.16449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
59.01379	6.4
61.98830	100.0
69.38936	1.2
69.39357	3.1
71.01380	3.7
73.02960	1.5
80.78733	0.4
82.63428	0.4
83.01405	1.5
85.02953	2.3
89.02427	1.1
96.34671	0.5
96.96046	0.6
98.20595	0.8
99.00890	0.6
101.02454	3.8
102.02802	1.2
103.50420	0.5
113.02467	1.4
114.02798	0.6
119.00797	0.5
126.25754	0.5
134.03702	0.5
137.02469	0.5
149.05992	0.5
161.04575	1.1
161.06056	0.5
184.39632	0.5
284.85706	0.5
291.18192	2.1
292.18491	4.9
301.03528	0.6
375.27527	8.0
376.27844	0.8
438.16797	1.4
438.24167	2.3
439.18222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35545	0.3
57.23862	0.4
69.78036	2.1
78.95903	23.0
79.87992	0.3
79.95747	2.4
85.02960	0.4
89.74425	0.4
96.96013	100.0
96.96959	51.4
97.95939	0.7
107.36346	0.3
110.98499	0.5
111.00842	0.5
196.33263	0.4
216.95276	0.5
237.84174	0.4
254.34680	0.5
378.13074	0.5
439.08600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49238	0.2
57.09297	0.3
58.08850	0.3
59.01382	2.1
63.10638	0.3
70.03543	1.1
71.01396	1.7
73.02956	0.8
78.95908	48.7
85.02950	0.5
89.02435	1.9
96.05251	0.3
96.96069	6.5
96.96966	100.0
97.02929	0.4
101.02450	4.2
110.60400	0.3
110.98543	0.5
113.02428	1.0
119.03507	0.3
131.03490	0.7
143.03467	0.5
161.04509	0.6
162.18921	0.3
170.32140	0.3
179.05595	2.2
219.69682	0.3
221.06660	0.8
248.74449	0.3
311.09940	0.3
337.57339	0.3
403.14566	2.0
439.08502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
57.03177	0.5
57.03447	5.4
58.00591	1.5
59.01379	30.6
61.98831	2.4
69.03458	1.0
71.01382	53.7
72.01720	0.9
72.99309	1.6
73.02947	19.7
73.26082	0.4
75.00867	1.3
81.03474	0.5
83.01385	11.9
85.02950	27.5
86.00083	1.2
86.03267	0.6
87.00865	2.8
89.02445	10.0
95.01387	3.5
97.02965	2.1
99.00886	9.4
101.02443	49.9
102.02793	1.1
103.04025	0.4
111.00871	1.4
113.02450	22.0
114.02778	0.8
114.72790	0.4
115.04040	0.5
119.03516	0.8
120.84042	0.4
125.02426	2.6
129.01895	1.1
131.03470	2.0
141.12823	0.7
143.03465	2.5
149.04495	1.0
159.02992	5.5
161.04559	28.9
162.04950	0.9
179.05594	0.4
205.03444	0.8
215.05394	0.4
305.19684	100.0
306.20032	9.8
349.18491	1.0
437.23920	13.8
437.29019	0.7
438.04236	0.5
438.24338	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	437.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40102	0.5
61.98759	0.6
65.14556	0.5
69.61543	2.3
69.61971	1.5
78.91792	0.4
78.95840	1.2
80.96262	0.5
111.14201	0.5
113.05981	1.5
117.22638	0.5
149.09570	0.7
152.99492	0.7
158.84573	1.6
163.11162	1.0
225.08203	0.5
249.93365	0.5
255.23309	5.1
269.24680	0.6
328.70691	0.6
375.36401	10.2
376.36411	2.4
391.35965	0.8
393.37384	100.0
394.37665	15.8
419.35309	3.4
420.35678	0.9
437.26788	2.7
437.36398	59.7
438.27335	0.9
438.36804	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	438.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58595	0.4
59.01390	1.1
59.58364	0.5
61.98833	100.0
71.01383	0.8
78.95903	2.7
85.02954	0.6
89.02470	0.6
96.96025	1.7
96.96963	5.2
118.28682	0.5
125.02482	1.3
139.22414	0.5
153.53612	0.6
161.30545	0.5
244.99779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47594	0.3
55.01879	4.4
57.03451	3.5
58.00584	1.0
59.01380	26.0
60.01719	0.5
60.99302	0.3
61.98824	1.0
68.99833	0.3
69.03458	1.1
69.41965	1.4
69.42373	0.5
71.01382	47.4
72.01724	0.6
72.99309	2.4
73.02950	19.4
74.03284	0.4
75.00869	0.7
81.03464	0.6
83.01385	12.1
84.02161	0.3
85.02951	25.6
86.00095	1.6
86.03289	0.5
87.00881	2.7
89.02440	7.3
90.14178	0.2
95.01398	3.0
97.02949	1.8
97.06541	0.3
99.00878	7.5
99.04552	0.3
101.02444	46.3
102.02779	1.1
111.00905	1.8
113.02448	17.3
114.02747	0.4
119.03513	0.5
123.00817	0.2
125.02410	1.5
129.01917	1.4
131.03511	1.8
135.97688	0.3
136.38054	0.2
141.01805	0.3
141.12825	0.5
143.03481	2.4
143.14314	0.3
149.04539	0.9
158.36775	0.2
159.02982	4.1
161.04553	20.4
162.04889	0.8
185.15341	0.3
205.03510	1.2
213.14955	0.6
233.06662	0.7
305.19684	100.0
306.20013	9.8
306.23599	0.4
316.20557	0.2
344.63394	0.3
349.18622	0.8
365.96313	0.3
396.86057	0.3
437.23923	9.4
438.24530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09988	1.2
55.01867	3.5
57.03451	92.9
58.00602	1.5
58.03785	2.1
58.37669	1.0
59.01382	100.0
61.98833	17.8
71.01385	30.3
71.64507	1.5
72.99313	2.5
73.02941	12.6
73.21905	1.2
75.00895	2.2
83.01388	6.5
85.02956	16.7
87.00893	1.8
89.02452	12.0
95.01361	2.5
97.02953	1.3
99.00888	6.5
99.04523	73.4
100.04887	1.6
101.02451	43.6
109.02969	1.4
111.00857	2.3
113.02463	12.3
119.03508	4.2
120.99616	1.4
125.02449	27.8
131.03502	2.0
135.04482	1.2
137.02379	2.8
140.34364	1.2
142.82433	1.2
143.03503	3.4
149.04539	2.8
152.85715	1.2
159.02927	2.2
161.04556	11.2
201.11383	3.3
257.04425	1.7
293.16055	21.5
294.16422	2.4
305.16046	13.8
335.17050	4.2
375.20316	1.6
407.18900	1.2
437.11014	2.3
437.19949	16.2
438.20810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
57.03450	4.3
58.00601	1.9
59.01385	34.4
60.01713	0.4
61.98844	2.7
68.99821	0.4
69.03458	1.2
71.01389	53.6
71.63266	0.5
72.01747	1.0
72.99317	2.8
73.02953	28.2
74.03315	0.4
75.00875	0.9
80.68015	0.3
81.03495	0.7
81.68656	0.3
82.17519	0.3
83.01395	21.1
83.05008	0.3
84.01723	0.4
85.02958	32.5
86.00108	2.2
86.03290	0.8
87.00887	2.6
89.02448	5.3
95.01399	4.1
96.90651	0.4
97.02961	2.5
99.00887	9.3
99.04516	0.4
101.02453	62.5
102.02795	1.5
103.04022	3.1
111.00880	1.7
113.02459	20.8
115.04051	0.5
119.03498	1.0
125.02457	3.7
127.11275	1.1
129.01967	1.7
129.12843	0.4
131.03459	0.3
143.03516	2.5
145.05083	1.8
159.03009	4.7
161.04575	25.6
162.04897	1.1
163.06128	2.0
173.11761	0.5
199.13432	0.4
205.03531	0.9
223.25517	0.3
229.07190	1.5
247.08270	1.5
283.11053	0.5
288.06259	0.4
291.18152	100.0
292.18481	9.5
335.17178	1.3
437.23929	31.7
438.19275	0.6
438.24869	4.1
453.97510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09988	1.2
55.01867	3.5
57.03451	92.9
58.00602	1.5
58.03785	2.1
58.37669	1.0
59.01382	100.0
61.98833	17.8
71.01385	30.3
71.64507	1.5
72.99313	2.5
73.02941	12.6
73.21905	1.2
75.00895	2.2
83.01388	6.5
85.02956	16.7
87.00893	1.8
89.02452	12.0
95.01361	2.5
97.02953	1.3
99.00888	6.5
99.04523	73.4
100.04887	1.6
101.02451	43.6
109.02969	1.4
111.00857	2.3
113.02463	12.3
119.03508	4.2
120.99616	1.4
125.02449	27.8
131.03502	2.0
135.04482	1.2
137.02379	2.8
140.34364	1.2
142.82433	1.2
143.03503	3.4
149.04539	2.8
152.85715	1.2
159.02927	2.2
161.04556	11.2
201.11383	3.3
257.04425	1.7
293.16055	21.5
294.16422	2.4
305.16046	13.8
335.17050	4.2
375.20316	1.6
407.18900	1.2
437.11014	2.3
437.19949	16.2
438.20810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38626	4.8
55.87315	5.4
57.03432	16.3
59.01379	100.0
61.98568	7.8
61.98833	85.3
71.01384	84.5
72.99313	5.8
73.02945	38.5
83.01380	19.8
85.02950	18.7
87.00880	17.2
89.02449	56.9
95.01380	8.5
97.02962	7.1
99.00880	17.7
101.02447	89.9
109.02962	14.4
113.02439	29.6
116.42104	5.5
119.03476	15.4
121.02941	6.1
122.72958	5.2
123.04501	12.6
125.02477	24.2
131.03490	12.8
137.02477	8.7
143.03505	5.9
146.66176	5.8
149.04469	11.0
151.04062	11.0
153.09196	9.9
160.03123	5.6
161.02463	9.1
161.04533	19.5
163.00247	5.9
165.05496	5.7
167.03505	11.2
177.01935	5.3
197.08150	6.8
215.09242	57.1
238.75732	5.7
270.62772	5.8
285.04077	5.8
289.07315	9.2
293.12402	29.2
305.16116	32.0
317.12363	6.8
335.13507	9.8
336.13675	5.3
347.07745	14.5
377.18402	7.0
400.48569	5.0
437.10962	26.8
437.20490	30.3
438.11563	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99704	8.5
59.01379	73.6
61.98838	100.0
71.01386	43.6
73.02951	11.6
75.00854	11.2
78.57469	9.7
85.02941	16.5
87.00892	11.4
89.02418	28.7
98.19822	19.8
101.02416	33.1
113.02450	13.5
121.05922	10.1
125.02421	14.5
129.64931	10.4
131.03564	12.4
137.02405	21.2
160.03981	13.2
161.04588	15.6
165.01904	16.5
169.05161	10.1
179.03474	23.7
180.04202	11.9
183.03886	9.6
186.85213	9.6
213.05501	10.3
225.07701	11.9
287.05530	13.0
385.78021	10.6
437.09433	13.2
437.19199	87.0
438.20251	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	437.1967
Annotation	7-Ketogedunin
Peak:m/z	Relative Intensity
56.61294	0.8
57.03436	1.2
57.14192	0.9
59.01376	2.7
60.69859	0.8
61.98817	2.7
69.56559	2.8
69.56982	3.5
73.02945	1.4
79.05532	2.4
83.05061	1.1
95.01422	1.6
95.05012	0.8
96.96021	2.9
97.06602	1.0
97.71375	0.8
99.00877	1.7
99.92589	2.0
107.05047	1.6
109.02953	1.8
116.10849	1.0
117.01918	3.1
118.89951	1.0
119.05024	1.5
120.89720	1.4
121.02969	3.2
123.00899	1.0
123.04568	1.1
124.51289	0.9
131.05008	1.3
134.03770	1.6
135.04523	1.5
135.90279	0.8
136.05315	2.2
136.90285	0.8
145.02928	1.2
147.04552	7.8
149.06070	3.7
158.03792	1.3
159.04401	1.2
159.11700	1.2
162.06874	4.7
173.06114	3.3
177.12872	12.1
178.13222	0.9
183.85120	0.8
185.06152	1.0
185.13315	1.0
186.03200	6.4
186.06839	3.7
187.03851	1.5
188.08382	1.1
200.04831	1.2
201.05615	6.3
201.09224	3.4
207.06647	28.9
208.06976	2.2
214.06375	3.9
215.10741	1.1
216.11403	1.0
229.08705	3.9
261.22275	1.2
273.22052	1.7
293.24976	1.1
317.15326	1.2
317.21283	2.2
319.17001	3.0
334.19205	1.2
335.16632	2.2
337.23862	3.7
345.14917	1.4
363.16025	15.0
364.16440	2.4
378.18304	13.1
379.18549	2.3
393.15674	1.5
393.20731	25.3
394.20908	4.9
430.34845	0.9
437.19675	100.0
437.29416	2.6
438.10953	1.2
438.19983	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.9
61.98832	52.2
62.82407	1.7
69.03450	2.4
71.01382	21.8
72.99312	3.7
73.02945	7.1
74.99071	1.9
75.00877	8.5
78.95914	2.7
81.03435	8.9
83.01395	11.2
85.02965	7.2
87.00878	7.0
88.98795	5.2
89.02444	28.5
93.03513	2.7
95.01395	2.8
95.05035	7.7
96.96014	3.2
96.96998	2.6
97.02963	15.8
99.00882	18.5
99.04510	5.1
100.85296	1.8
101.02441	14.5
106.56833	1.8
109.02961	28.9
111.00880	15.1
113.02442	5.9
119.03541	4.9
120.21855	1.8
121.02959	7.1
122.03764	2.2
123.04529	27.7
125.02454	23.9
131.03525	3.5
133.02992	1.9
135.04515	5.5
137.02440	23.0
137.06133	2.2
139.04025	9.4
146.03639	2.3
149.02441	15.3
149.04506	3.2
151.04012	12.9
153.01912	2.5
159.04488	2.1
161.02481	9.6
161.04591	4.7
161.06015	4.3
162.03201	3.5
163.00371	12.5
163.04005	3.4
164.01109	9.2
165.01936	11.9
165.05478	2.5
167.03481	37.2
175.04019	3.3
177.01903	14.0
177.05553	2.4
178.02599	2.6
179.03455	10.8
179.05595	3.9
181.04788	2.2
187.04056	4.8
188.04808	3.4
194.63657	1.9
195.02921	4.5
197.04588	2.3
201.05653	2.0
203.07135	11.9
205.01414	4.8
205.05109	9.5
206.02211	7.8
207.02895	4.0
231.03020	3.5
245.08115	13.9
247.06158	7.2
289.07205	62.1
290.07474	6.8
305.12393	2.5
317.06696	15.8
318.06949	1.8
329.06726	13.1
347.07700	100.0
348.07883	12.0
359.07767	10.5
377.18228	3.6
401.08789	3.4
419.09875	3.3
437.11041	27.2
437.16339	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	436.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89122	0.7
55.01873	0.8
57.03465	1.1
59.01383	11.3
61.64075	0.8
61.98834	100.0
67.58404	0.7
71.01385	11.3
72.01715	1.3
73.02957	2.9
79.95788	0.7
83.01410	1.3
85.02969	2.0
89.02454	10.3
90.02785	1.7
99.00920	2.6
101.02454	7.3
101.34468	0.7
102.02802	1.1
106.64735	0.8
113.02454	2.2
119.03544	1.6
131.03511	2.0
135.94786	0.8
143.03528	0.8
149.04549	4.8
150.04900	2.1
150.22928	0.8
160.52670	0.7
161.04565	2.1
167.80328	0.7
191.05676	1.6
192.06075	0.9
265.31912	0.7
305.19604	5.7
349.11578	1.1
373.25815	5.0
436.23096	3.4
437.24048	3.9
437.29358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54544	0.6
51.80952	0.7
55.01872	2.1
57.03454	11.4
59.01384	96.4
60.01706	1.0
61.98834	5.7
63.80058	0.9
67.01866	1.0
68.99828	1.7
69.03450	2.5
69.30777	5.7
69.31182	1.8
71.01382	17.2
72.99310	1.3
73.02957	6.4
75.00876	1.1
77.57683	0.9
81.03455	7.7
83.01398	9.5
85.02946	7.7
87.00866	2.3
89.02445	10.1
93.03458	3.8
95.01395	1.7
95.05029	4.5
97.02962	11.1
99.00896	11.5
99.04529	12.6
101.02449	16.3
101.06097	1.7
107.05015	1.6
108.02185	1.7
109.02965	19.0
111.00873	1.8
113.02431	6.4
119.03503	2.2
121.02987	5.2
121.03696	1.0
122.03720	1.2
123.00880	1.6
123.04535	19.3
124.01659	1.5
124.04819	1.4
125.02453	18.9
133.02930	1.7
135.04517	4.5
137.02446	10.5
138.05582	1.2
139.03992	7.8
141.01981	1.6
143.03534	1.2
145.02959	1.8
146.03796	1.1
149.02477	12.4
149.04495	1.0
150.03279	1.6
150.05632	1.0
151.00420	1.1
151.04005	10.3
152.04317	0.8
153.01939	2.1
159.03123	1.4
159.04510	2.4
159.36102	0.8
160.05154	0.8
161.02480	9.1
161.04541	7.0
161.06049	5.3
162.03101	1.8
162.99103	1.5
163.00374	13.8
163.03941	3.6
164.01228	4.4
165.01926	7.2
165.05583	2.0
166.02728	1.4
167.03493	26.5
168.03925	1.5
173.06021	0.7
175.03960	3.7
175.07710	0.8
177.01942	11.0
177.05576	1.2
178.02483	2.0
179.03470	7.2
181.05023	1.9
183.02953	1.4
187.03972	2.7
188.04700	2.3
189.01939	1.6
191.03546	2.3
195.02998	3.0
201.05525	1.6
201.11273	2.6
202.06290	1.3
203.03519	1.0
203.07152	8.1
204.07307	0.9
205.01529	5.4
205.05087	10.6
206.02200	5.0
207.02966	3.8
219.02896	1.3
221.04518	1.1
221.08173	1.6
227.07149	2.2
229.05006	2.4
230.05637	0.9
231.06380	0.9
235.11699	0.9
245.08171	10.1
247.06183	5.6
261.07666	1.6
273.07559	1.8
286.07193	1.1
289.07175	36.0
290.07513	4.0
293.16019	2.6
305.16058	10.4
317.06677	15.6
318.07086	1.0
329.06650	7.7
330.07217	0.9
347.07718	100.0
348.08075	10.1
359.07797	8.7
377.18146	2.6
391.23184	1.1
401.08823	4.2
419.09656	3.8
437.10889	20.8
437.19748	7.2
438.11887	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	436.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26086	1.4
53.51651	1.2
55.50911	1.3
56.82576	1.3
57.01605	1.2
59.01380	24.3
60.01712	2.3
61.01800	1.6
61.76718	1.3
61.98832	100.0
70.24634	5.3
71.01377	5.2
85.02944	2.7
89.02438	1.9
101.02475	1.9
108.02158	2.4
113.02441	2.7
125.92980	1.3
161.04536	2.1
195.37354	1.4
215.07137	5.9
215.12848	1.7
229.08665	1.3
257.03662	2.2
272.02835	2.4
273.03116	2.9
274.03195	3.5
300.03067	1.4
301.03146	3.5
302.03348	4.8
303.03549	9.4
304.04285	3.1
426.89703	1.3
436.08707	8.4
436.18640	3.3
437.23929	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	436.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.2
60.01703	2.3
61.01794	2.1
61.98833	100.0
63.39336	1.6
69.47694	3.8
69.48113	10.0
70.71103	1.6
71.01360	6.7
75.89732	1.7
82.29202	1.4
85.02965	2.3
86.84993	1.4
89.02456	4.0
91.90664	1.7
101.02431	4.2
108.02185	2.2
113.02478	1.8
215.07104	6.1
272.02853	4.1
274.03311	5.2
299.64230	2.3
301.03162	4.2
302.03214	5.0
303.03638	9.7
304.04333	3.1
436.08817	9.2
436.18677	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33822	0.4
59.01385	100.0
60.01731	1.0
60.90184	0.4
69.48717	3.7
71.01389	2.3
73.02970	0.6
80.85828	0.4
85.02959	1.1
98.19907	0.9
99.00927	0.6
101.02459	1.7
107.99093	0.5
113.02486	1.2
121.80888	0.5
128.83014	0.5
132.27115	0.4
152.81647	0.5
161.04619	1.7
178.22600	0.5
270.79852	0.6
291.14899	0.5
312.84158	0.5
375.23767	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	435.3476
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
57.03617	0.6
59.01365	1.0
63.59705	0.6
78.95899	6.8
95.98709	0.6
96.96012	14.3
98.19838	1.5
132.06493	0.6
137.06065	1.0
150.06810	0.7
152.99582	11.4
156.04253	1.2
185.02211	1.5
218.20390	0.6
321.31503	0.7
355.32135	5.2
356.32840	0.9
373.34802	2.3
391.35843	32.2
392.36246	4.9
399.32660	1.4
407.35220	1.5
417.33716	32.8
418.34067	7.1
435.27948	12.9
435.34702	100.0
436.28564	1.6
436.35086	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96412	0.5
64.97953	0.3
69.60620	1.5
69.61061	0.6
70.11156	0.2
74.28901	0.3
78.95907	73.0
86.33385	0.3
96.96018	0.5
96.96969	6.0
150.97987	1.7
152.99591	100.0
153.99957	2.1
171.00636	2.8
211.55914	0.2
223.05257	0.2
259.18542	0.2
281.24814	2.0
282.25134	0.3
435.25122	13.9
436.25406	2.1
441.88617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
50.89141	0.3
60.06100	0.3
69.43983	1.4
69.44394	0.8
72.13757	0.3
72.40881	0.3
78.95909	54.5
96.96966	6.0
102.25524	0.3
103.81348	0.3
141.84711	0.3
150.98009	1.6
152.99597	100.0
153.99936	1.9
171.00656	4.1
234.76787	0.4
270.17703	0.3
278.55182	0.4
281.24893	1.2
310.70944	0.4
435.25119	7.6
436.25555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03455	1.9
58.00596	4.2
59.01379	79.5
60.01717	1.1
61.98828	7.7
68.99818	0.4
69.03468	1.4
70.29607	0.8
70.29974	0.6
71.01382	80.0
72.01721	1.3
72.99311	5.1
73.02945	9.8
75.00876	0.6
80.21219	0.4
81.03459	0.5
83.01392	3.6
83.05029	0.4
85.02955	14.6
87.00877	3.8
87.43751	0.4
89.02444	100.0
90.02772	1.7
93.03465	1.9
95.01384	2.7
97.02943	1.2
99.00886	2.2
101.02444	42.5
102.02790	1.4
106.08803	0.3
113.02450	20.5
114.02803	0.5
119.03501	19.8
120.03836	0.6
125.02450	2.8
131.03505	22.1
132.03815	0.5
143.03488	4.0
149.04558	34.8
150.04880	1.1
161.04541	4.9
171.18544	0.4
179.04099	0.5
179.05618	9.1
180.05952	0.5
191.03981	0.5
191.05612	8.3
203.89543	0.3
207.48730	0.3
213.05473	1.2
274.10638	0.5
293.08411	0.5
303.18173	1.7
310.95355	0.4
373.25632	1.0
435.22134	3.1
435.27289	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.7
58.54729	6.1
59.01384	100.0
60.67175	4.5
61.98833	96.3
71.01386	50.2
71.05022	14.4
71.13088	6.2
72.99264	6.0
73.02951	9.3
75.00871	17.1
81.03476	6.7
83.01397	11.3
85.02930	14.2
87.00894	6.0
89.02472	26.1
93.03448	12.8
99.04510	12.0
101.02426	27.7
107.01434	6.7
109.02972	8.2
113.02455	12.7
117.05586	40.9
119.03516	9.5
123.04514	12.2
125.02419	14.6
137.02451	19.0
138.95805	5.6
149.02441	7.5
151.00385	28.8
161.04584	11.2
161.06012	5.0
213.11334	10.1
229.08801	6.3
237.06158	15.9
245.04718	7.2
273.07767	7.9
294.04108	8.8
335.13156	9.6
341.05057	17.7
345.14655	9.2
391.19833	6.4
397.32288	6.0
435.12872	11.9
435.17859	14.9
435.22736	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98832	77.1
70.00932	12.9
70.01344	24.8
71.01393	44.1
73.02932	16.9
74.99088	7.4
85.02950	22.2
89.02445	27.0
94.60519	6.7
98.20643	8.7
99.04483	14.3
101.02439	25.4
113.02465	17.7
116.97939	7.7
123.04594	9.6
125.02449	15.7
149.02397	7.0
161.04591	19.2
167.03461	7.3
345.14609	11.8
389.21643	9.5
391.19714	27.3
435.18427	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	435.1292
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03439	1.3
59.01381	2.1
61.98831	5.7
65.00323	1.2
67.14864	0.4
69.33517	4.2
71.01384	0.7
81.03461	11.8
83.01381	5.0
89.02436	0.5
93.03465	6.8
95.05022	0.9
98.20617	1.0
101.02455	0.6
107.01402	1.4
111.04498	0.7
118.47231	0.4
119.05022	9.6
120.05392	0.6
121.43974	0.5
123.04530	29.3
124.04931	0.9
125.02446	15.5
126.02817	0.7
135.04524	1.1
149.02428	2.1
151.00336	2.1
164.73540	0.4
165.05540	0.8
167.03494	84.0
168.03827	3.9
170.60049	0.4
179.03497	8.2
189.05569	1.6
191.03456	0.8
211.07628	0.6
213.75562	0.4
229.03969	1.1
255.06615	0.5
256.03284	0.9
257.03476	1.2
273.07678	100.0
274.08017	9.4
285.03745	0.5
285.88550	0.5
286.04016	1.2
287.04428	2.5
288.04749	2.1
289.04977	1.0
297.07590	1.0
435.10797	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35454	0.4
51.51368	0.4
59.01336	3.6
61.98832	8.2
69.30582	1.1
69.30984	4.1
71.01382	3.3
72.66720	0.5
73.02921	0.6
75.80600	0.5
76.94508	0.6
85.02917	0.8
89.02386	0.6
93.03459	8.8
95.04970	1.8
101.02392	2.2
106.38282	0.5
109.02966	16.5
110.03277	0.7
110.54753	0.5
113.02390	0.8
117.03394	2.2
119.05017	2.3
121.02953	1.0
122.03709	0.5
123.04523	13.6
124.01593	0.6
124.04801	0.9
125.02397	1.0
133.02888	2.0
135.00861	0.5
137.02350	1.6
145.02960	7.5
147.04517	3.6
149.02396	1.0
150.03166	1.4
151.04030	6.6
153.01846	1.3
159.04489	1.1
161.02432	2.2
161.04524	1.1
161.06052	1.0
162.03235	0.5
165.01811	0.6
167.03497	0.5
168.04138	1.4
176.01093	1.1
177.01939	24.0
178.02203	1.1
179.03453	1.7
187.03998	2.2
189.01942	48.9
190.02687	11.8
191.03497	12.0
192.04160	0.9
194.05792	1.4
201.01952	0.5
203.03522	5.2
207.06636	1.3
209.08124	0.6
216.00644	7.2
217.01419	34.2
218.02016	3.8
219.02985	14.7
220.03329	0.9
229.04985	0.5
231.02994	10.2
232.03467	1.5
233.04434	0.9
241.05034	1.8
241.16594	0.6
245.08220	1.0
268.06036	1.1
269.04370	1.1
271.06195	2.7
273.20862	0.6
281.04510	1.7
283.06177	1.9
289.07291	4.3
289.16571	1.4
297.07758	0.9
303.18155	1.4
311.05679	5.7
312.05984	0.6
313.06915	0.6
323.05637	2.0
325.07394	0.7
341.06668	100.0
342.07028	11.0
417.08316	0.6
435.10880	35.6
435.26266	1.3
436.11102	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	11.0
60.23280	2.4
61.98829	6.0
69.03462	3.4
69.36441	2.1
71.01369	10.8
71.38633	3.4
74.99102	5.1
77.00450	2.7
78.46572	2.3
84.85576	2.2
85.02962	3.9
87.00879	5.1
89.02458	4.4
96.96925	3.5
97.02947	8.8
101.02456	4.4
109.19778	2.2
110.22881	2.2
119.97369	2.3
126.56627	2.5
135.89291	2.6
136.99136	6.6
141.01936	11.1
149.02434	26.6
150.02144	3.2
150.03232	40.6
150.45619	2.3
161.02451	3.8
161.04550	4.4
162.03209	5.1
163.04094	2.7
164.04781	10.6
165.05569	100.0
166.05928	5.2
180.04221	3.4
195.06593	25.9
196.06998	3.6
267.10770	2.8
269.14716	2.4
295.78564	2.4
327.10712	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01385	6.4
61.98825	3.3
65.36359	0.7
69.51115	5.7
71.01389	4.1
73.02931	0.8
81.03493	1.0
83.01409	1.2
85.02961	2.8
89.02452	1.0
93.03459	65.0
94.03788	2.3
95.01363	1.5
99.00861	1.0
101.02447	2.7
108.02175	62.4
109.02319	1.2
109.02978	21.0
110.03242	0.9
113.02454	2.0
121.02893	0.8
123.00902	1.7
123.04556	1.0
125.02457	2.4
137.02443	100.0
138.02769	4.9
151.04022	1.6
152.01154	83.1
153.01949	33.8
154.02284	0.9
161.02492	0.8
163.04013	1.5
165.01935	1.8
167.03459	1.1
179.03503	0.9
179.79784	0.8
213.05571	0.9
246.24205	0.8
248.07430	0.7
273.07736	2.4
297.06140	21.8
298.06442	2.0
315.07214	16.7
316.07416	1.6
401.01157	0.9
435.09299	87.5
436.09698	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	435.0932
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
53.06568	0.6
54.57059	0.6
55.01866	0.8
57.03432	1.3
59.01380	15.0
61.98832	41.1
62.98516	0.7
63.99229	0.8
64.03072	0.6
69.03471	3.5
70.30560	2.4
70.48796	0.7
71.01379	8.7
72.99291	0.7
73.02958	3.2
78.02350	0.6
79.01898	1.2
79.95770	0.7
81.03458	1.6
83.01379	4.3
85.02967	5.0
89.02431	3.6
95.01371	2.4
97.02969	3.9
99.00875	1.0
101.02456	6.2
107.01375	1.5
107.05022	2.4
109.02888	2.1
113.02426	3.7
119.03452	0.8
121.02122	1.0
121.02951	10.7
122.03725	1.1
123.00101	0.7
123.00892	7.1
124.01670	23.1
125.02449	61.4
126.02793	2.7
135.04443	1.3
136.01624	0.9
137.02429	5.1
149.99588	40.0
151.00403	3.5
151.03876	0.9
153.05486	0.6
161.04543	2.8
163.03859	0.7
165.01912	1.0
166.99854	0.7
167.03447	1.5
168.00639	67.2
169.01381	5.7
169.74139	0.6
177.01938	0.7
179.03448	0.9
192.04160	0.7
196.67958	0.7
209.08121	1.0
210.08498	1.3
229.08678	2.4
273.07672	1.9
273.20566	1.1
289.16620	3.8
302.16708	0.8
303.17151	1.8
313.05582	2.7
417.08170	3.7
435.09198	100.0
435.26120	11.6
436.09528	14.3
436.26379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10777	0.7
54.37077	0.7
59.01384	2.3
61.98835	100.0
64.23627	0.7
65.51122	0.8
70.65030	1.8
70.65428	1.3
78.95909	5.0
80.96310	1.4
82.41478	0.8
96.96948	0.9
116.92885	3.4
152.99580	4.4
153.99948	1.5
155.00035	3.1
215.55109	0.7
346.66415	0.8
435.14981	1.0
435.27835	1.7
451.08002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0933
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
50.26244	0.5
57.03449	1.3
59.01382	8.5
61.98847	3.2
62.32423	0.6
68.99837	0.8
70.42488	1.3
71.01395	11.5
72.99319	0.6
73.02955	4.1
74.36794	0.6
81.03475	1.3
83.01394	2.5
85.02960	7.7
87.00884	1.0
89.02435	3.1
93.03465	15.8
94.03800	0.6
94.55341	0.5
95.01380	2.4
96.99336	0.9
97.02921	1.0
98.19946	0.8
101.02445	7.4
108.02183	68.6
109.02978	35.6
110.03300	1.5
113.02469	4.2
119.03498	1.2
119.05025	1.5
121.02953	2.1
123.00887	1.8
125.02444	1.5
135.00905	0.8
135.60710	0.5
136.01659	2.2
137.02460	29.2
138.02760	1.2
143.03500	0.8
143.97372	0.5
151.00381	1.0
151.04001	1.9
152.01163	85.3
153.01959	24.1
154.02318	1.0
161.04561	1.4
163.04025	1.0
165.01924	1.0
179.05630	1.0
189.05656	0.7
193.05025	0.5
219.73466	0.5
229.04802	0.7
273.06726	1.2
273.17099	1.2
281.06686	6.4
313.06610	0.7
314.07434	0.6
315.07269	13.6
316.07559	1.1
327.08844	0.7
357.13705	1.2
389.21997	2.8
391.10486	2.2
435.09338	100.0
436.09644	14.4
436.22607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.9
57.03453	5.2
59.01381	21.4
61.05359	2.7
61.98837	15.4
62.17437	2.4
65.00324	6.7
69.03471	4.6
69.49219	7.5
69.49628	14.1
71.01379	18.6
72.99302	6.5
74.99102	4.5
75.00869	10.5
81.03476	5.5
83.01385	13.3
85.02962	6.6
87.00869	7.5
89.02451	7.3
93.03445	8.7
95.01414	6.2
95.05020	6.1
97.02971	20.3
99.00848	6.0
99.04519	5.4
101.02444	5.3
105.01926	19.4
105.03434	3.5
107.01349	4.7
109.02955	58.2
113.02454	5.3
115.00363	9.2
119.03487	3.0
121.02962	26.1
123.04523	43.4
125.02457	37.8
135.00882	5.9
135.04488	9.6
136.99130	4.7
137.02473	47.3
139.03969	12.9
145.01451	24.0
149.02441	30.5
150.03204	2.9
151.00386	9.6
151.04024	30.9
152.04276	3.2
159.04469	3.7
161.02473	19.2
161.04626	3.1
161.06084	9.2
162.03232	3.2
163.00386	35.5
163.03973	6.1
164.01138	12.8
165.01935	56.3
166.02574	6.0
167.03484	27.2
175.03983	6.9
175.07802	3.8
176.01065	4.2
177.01904	42.3
178.02623	5.0
179.03519	10.7
185.02766	3.2
187.03957	11.7
188.04756	4.9
189.01849	3.7
190.99840	3.1
191.03549	4.3
193.01408	5.0
195.03130	2.9
203.07124	19.8
204.00681	4.0
205.01443	20.6
205.05052	19.9
206.02182	8.7
207.02925	7.2
219.02953	4.8
227.07214	5.5
229.04977	16.1
231.02936	8.0
233.00850	6.8
245.08194	26.0
247.06111	9.9
271.06018	9.5
273.03943	5.6
289.07178	100.0
290.07477	9.2
315.05109	94.8
315.08807	5.1
316.05383	10.3
317.06573	5.7
327.05096	16.0
329.06589	29.1
333.06171	40.9
334.06424	7.1
345.06097	21.0
346.06595	3.6
347.07748	50.8
348.07953	6.3
357.02112	5.4
357.06201	64.0
358.06424	9.2
369.06021	8.0
371.07733	11.0
375.07361	4.0
381.05771	4.7
399.07199	21.8
435.09207	19.5
436.09735	4.0
453.21378	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	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96207	0.9
54.67785	0.9
58.00576	1.1
58.71711	1.0
59.01381	18.3
60.01695	1.9
61.98831	100.0
69.64378	6.2
71.01384	17.6
73.02944	6.6
83.01394	3.1
85.02951	7.6
89.02454	6.1
93.03512	1.0
97.02945	1.7
98.20669	1.2
99.00887	2.3
101.02450	15.4
103.04010	1.5
110.69353	0.9
113.02444	5.8
119.03460	2.0
125.02427	3.2
131.03537	1.8
137.88528	1.0
143.03467	2.1
159.03043	1.4
161.04549	6.9
258.05411	1.3
273.07516	1.2
289.16583	10.2
300.02667	1.1
301.03134	2.3
303.17941	2.0
326.17752	1.2
335.96945	1.2
337.56442	1.1
430.85583	1.1
434.24783	3.1
435.22342	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	434.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60383	0.9
55.01890	2.0
59.01383	100.0
60.01716	10.9
61.01785	1.1
61.98835	90.4
69.35216	8.8
71.01383	17.5
72.01723	1.9
72.99312	1.1
73.02962	5.0
83.01408	2.3
85.02939	6.5
86.03326	1.0
87.00881	1.4
89.02454	4.7
98.20692	1.6
98.94746	0.9
99.00884	1.7
101.02453	13.8
102.02787	1.7
113.02448	4.3
119.03512	1.9
144.06712	1.3
159.03021	1.2
161.04581	7.4
162.04906	2.4
227.40131	0.8
239.56500	1.1
289.16495	1.4
295.22668	1.6
301.03198	1.6
303.18213	6.3
329.21393	1.4
347.22284	1.0
373.22174	2.5
374.22668	19.2
375.23022	2.7
434.08258	1.4
434.25629	2.8
435.21115	1.5
435.27026	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	434.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78905	0.6
55.26289	0.5
59.01389	1.5
61.98832	100.0
71.41808	1.4
82.90209	0.6
147.72723	0.6
179.74187	0.6
181.51292	0.5
300.24741	0.6
371.24377	17.5
372.24832	2.3
410.53601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
61.29438	0.3
61.98834	100.0
62.18498	0.3
65.70538	0.3
69.37165	0.5
69.37563	2.2
71.01379	1.8
73.02946	0.7
82.10336	0.3
83.01371	0.4
85.02972	0.9
89.02444	1.5
93.03455	0.5
95.01383	0.6
99.00846	0.3
101.02456	2.2
109.02955	1.0
113.02467	0.7
119.03519	0.4
123.04535	0.6
124.21370	0.3
125.02455	0.8
125.06075	0.3
137.02481	1.0
153.01947	1.0
161.04578	1.0
165.09259	0.9
168.00519	0.4
170.35287	0.3
177.01947	0.5
179.05623	0.3
189.01964	1.2
191.03423	0.4
192.03851	0.3
203.03642	0.3
209.08188	5.9
210.08440	0.3
217.01413	0.7
227.03590	0.3
228.03880	0.8
229.03938	0.3
255.02975	0.6
256.03265	1.5
257.03583	0.7
258.03760	0.5
271.02542	0.4
273.07663	0.4
285.03677	1.0
286.04105	1.1
287.04337	1.1
288.05011	1.0
289.16556	0.9
301.03146	0.7
302.04013	0.4
341.06714	2.2
371.13626	0.7
374.13257	0.8
378.86963	0.3
434.10574	2.9
434.15652	1.1
434.25171	0.5
435.11099	1.2
435.21988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01381	1.8
61.98830	100.0
69.41264	1.9
71.01400	1.2
73.02966	0.3
81.03464	0.3
83.01408	0.4
85.02967	0.4
89.02459	0.5
101.01292	0.2
101.02443	0.7
107.05027	4.6
113.02425	0.3
120.42513	0.2
121.02969	2.2
122.03737	3.5
124.01700	0.4
125.02448	1.9
137.02464	0.7
149.99562	0.5
154.02805	0.4
161.04555	0.3
162.26582	0.2
165.09200	1.4
168.00690	1.1
182.02225	0.6
209.08191	6.2
210.08592	0.4
229.08685	5.5
229.10808	0.5
236.33847	0.3
255.06570	0.3
262.04388	0.2
269.30856	0.3
272.02881	0.4
273.07697	4.9
301.03253	0.7
371.13602	1.0
434.24442	0.4
435.13153	9.4
435.26074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
56.25911	0.2
57.03441	0.6
58.00592	0.4
59.01385	12.6
60.01717	0.3
61.98838	3.2
63.29934	0.2
69.03465	0.3
69.86205	0.8
69.86610	0.4
70.15423	0.2
71.01388	9.4
72.99306	0.6
73.02949	2.0
75.00867	1.0
81.03455	0.3
83.01397	0.6
83.05019	0.2
85.02950	1.2
87.00886	0.5
89.02452	12.0
95.01416	0.2
97.02935	1.2
98.19914	0.2
99.00886	3.1
99.04530	0.4
101.01858	0.3
101.02457	4.0
109.02932	0.5
111.00931	0.3
112.04068	0.6
113.02456	1.8
115.03996	0.7
117.05580	0.2
119.03539	0.8
120.99646	0.3
123.04525	0.5
124.04043	0.3
125.02454	5.7
126.02811	0.4
131.03506	1.7
137.02449	0.7
140.07188	100.0
141.07533	4.3
141.79509	0.2
143.03488	0.6
149.02490	0.4
149.04562	2.6
153.01962	0.3
153.04362	0.3
154.08722	0.4
161.02510	0.2
161.04594	1.2
165.01884	0.2
167.03540	0.3
167.05823	0.2
177.01918	0.2
182.08266	1.3
191.05609	2.4
200.09334	0.5
204.06657	0.6
212.26183	0.2
215.05663	0.2
233.06662	4.7
233.08899	0.3
236.53464	0.2
267.16895	0.2
273.07678	0.4
286.96957	0.2
293.08810	6.9
294.09305	0.3
302.12534	0.6
324.37564	0.2
327.13452	1.0
345.14612	0.7
375.20633	0.3
416.15741	0.3
434.11566	0.2
434.16766	2.8
435.17664	0.4
435.22742	0.3
453.89078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13326	0.9
59.01374	6.7
61.98836	100.0
64.11111	0.8
69.66054	5.1
71.01385	2.4
73.02937	1.2
73.56091	0.9
85.02962	1.9
89.02463	1.4
101.02437	3.2
113.02492	1.0
134.48389	0.8
195.96452	0.9
289.16577	3.8
301.03271	1.4
318.76407	1.0
435.22159	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	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.1
58.00599	4.8
59.01385	100.0
59.10495	0.9
60.01726	1.0
61.98830	2.8
62.89350	0.9
69.31286	9.1
71.01389	59.3
72.01743	0.9
72.99313	4.1
73.02950	1.9
83.01407	1.9
85.02954	10.0
86.91077	0.9
87.00867	2.6
89.02453	82.8
90.02794	2.5
95.01390	4.2
101.02448	37.2
102.02795	1.4
113.02462	25.9
119.03510	38.3
131.03516	5.8
143.03542	8.2
149.04553	2.2
161.04582	6.5
162.04845	0.9
179.05614	35.2
179.07184	1.8
180.06071	1.1
229.04021	1.1
255.03049	2.2
257.03564	1.8
271.02536	1.3
271.19211	8.4
285.03821	2.1
286.03967	3.1
287.04556	1.3
300.02664	1.3
301.16864	0.9
310.02768	0.9
394.11093	1.0
395.00870	0.9
415.39999	0.9
433.10181	2.9
433.24469	73.5
434.24738	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23709	0.4
57.03466	0.9
58.09411	0.5
59.01382	100.0
60.01707	1.9
61.98833	8.0
65.12673	0.4
69.49976	3.3
69.88452	0.4
71.01387	7.7
72.99319	0.4
73.02946	2.3
83.01411	1.5
85.02959	2.8
87.00856	0.5
89.02453	5.5
95.01406	1.6
98.20596	0.6
99.00877	1.0
101.02460	4.8
109.02986	0.7
111.00912	0.9
113.02478	3.5
119.03528	1.6
119.05080	0.5
121.02890	0.7
123.00886	0.7
125.02486	0.8
136.98735	0.6
137.02492	1.0
138.03215	0.4
139.00412	0.9
143.03464	0.8
151.00446	1.6
153.02016	0.5
156.12566	0.4
161.04532	3.5
165.02058	0.4
166.02719	0.9
178.02699	0.5
178.99944	0.6
179.05672	1.8
191.03719	0.5
193.05150	0.8
203.03496	0.6
207.06615	0.8
218.05939	0.9
226.02797	0.5
227.03596	0.7
233.08234	0.4
243.03072	1.4
255.02951	3.3
271.02487	9.4
271.05978	0.9
271.19122	0.6
272.02930	1.1
277.18616	0.5
286.03879	0.5
300.02774	14.9
301.03552	5.2
301.16687	0.5
302.03873	0.5
313.06876	0.6
358.10858	0.5
373.12817	2.3
373.22369	2.7
374.22787	0.7
397.18454	0.5
401.12503	0.5
403.14279	0.6
418.12421	0.8
433.07990	8.6
433.15170	3.7
433.24524	3.1
434.08377	0.9
434.15686	0.8
455.04364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22972	1.0
55.01865	1.5
55.09508	0.8
55.56390	0.9
57.03447	3.6
58.00616	4.0
59.01385	100.0
59.72453	0.9
60.01701	1.3
61.98835	4.1
62.17814	0.8
62.90119	0.7
64.48183	0.9
70.94224	2.0
71.01388	53.6
72.01732	1.6
72.99316	3.9
73.02956	2.9
79.31508	0.8
83.01402	3.1
85.02944	10.3
87.00875	2.5
89.02454	76.0
90.02766	1.8
95.01413	4.0
96.76064	0.9
99.00832	1.3
101.02454	37.6
105.70170	1.0
107.01481	0.9
113.02460	21.7
119.03509	32.5
125.02462	12.1
131.03511	3.2
134.22182	1.0
135.00922	2.0
143.03517	6.5
149.04564	3.4
155.10762	2.2
161.04591	7.6
163.04016	1.2
165.01926	1.0
167.03506	5.7
179.05623	25.3
225.75525	0.8
227.03348	0.9
234.84720	0.9
235.17073	2.4
251.16672	1.3
253.18082	1.0
255.03078	1.2
256.03131	1.4
265.10812	3.2
271.02542	4.0
271.19156	21.9
272.19669	2.1
285.03848	1.2
286.04254	1.1
287.04477	0.9
289.10931	2.5
300.02725	6.6
301.03320	1.8
359.69638	0.9
415.13934	2.4
433.08102	2.8
433.24524	90.5
434.24777	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01386	100.0
60.01728	0.8
61.98837	7.8
69.29176	7.7
71.01389	11.9
72.99310	1.0
73.02972	3.4
77.94622	0.7
80.30466	0.7
83.01418	1.4
85.02949	4.5
89.02447	5.5
93.03466	1.1
99.00876	1.0
101.02451	8.6
109.03028	0.8
113.02440	4.5
119.03561	2.7
128.56415	0.7
137.02493	1.4
147.15759	0.7
151.00482	1.1
159.03033	1.1
161.04613	6.8
201.66954	0.7
206.09709	0.7
211.16946	1.0
225.73279	0.7
255.03101	2.1
256.03329	0.8
271.02567	4.2
286.04239	0.9
295.22873	1.0
300.02878	6.3
301.03531	2.3
303.52158	0.7
329.21713	1.5
373.13141	0.8
373.22327	15.8
374.22775	2.5
433.07410	3.6
433.24518	2.5
434.26016	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79601	0.2
59.91912	0.2
62.96420	0.3
69.46429	1.7
70.69305	0.2
72.18816	0.2
78.95904	70.6
94.61193	0.2
96.96960	5.2
98.20633	0.4
102.58556	0.2
125.20570	0.2
141.35591	0.2
142.35246	0.2
150.98010	2.0
152.99586	100.0
153.99950	2.4
154.21761	0.2
171.00671	2.8
178.40616	0.2
192.20114	0.2
279.23230	1.4
433.23575	11.0
434.23911	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01125	0.8
52.94634	0.8
59.01385	100.0
60.01712	1.5
61.98835	12.8
62.93993	0.9
65.00314	1.3
66.83678	0.7
67.31714	0.8
69.32993	0.7
69.33308	1.9
69.33713	6.3
71.01370	3.8
83.01380	1.1
85.02957	1.7
87.36552	1.0
89.02442	3.8
101.02442	3.4
107.01411	2.3
108.02164	1.5
109.02939	1.4
113.02479	1.6
119.03474	1.0
121.02955	1.8
128.58626	0.9
151.00394	8.8
157.41873	1.0
161.04599	2.9
163.00359	1.9
178.99870	4.1
183.10278	1.6
201.01842	1.0
211.03958	1.5
227.03455	2.7
243.02995	8.4
245.04507	1.2
255.02995	19.1
256.03473	2.2
266.30142	0.9
271.02490	39.4
272.02853	4.1
283.02423	0.9
300.02771	69.8
301.03470	42.2
302.04007	2.7
373.22290	2.9
433.07736	36.9
434.08041	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03420	1.6
58.00567	1.6
59.01381	24.0
59.45082	0.3
61.98833	3.7
63.02378	1.2
65.00328	2.3
69.37348	2.3
69.37769	1.4
71.01001	0.7
71.01380	13.7
72.02134	0.5
72.99291	1.0
73.02605	0.5
73.02949	7.0
83.01383	3.0
85.02943	3.4
87.00845	0.7
89.02450	12.3
93.03452	3.7
95.01366	1.2
97.02946	0.5
99.00900	0.6
101.02446	9.3
107.01381	5.9
108.02162	1.8
109.02927	1.7
113.02454	5.1
119.03547	5.9
119.05022	14.1
120.05357	0.6
121.02949	0.6
122.03719	1.0
125.02426	1.2
131.03447	0.8
136.03987	0.8
137.02400	1.2
143.03474	1.2
147.18535	0.4
149.04477	0.6
151.00369	18.0
152.01025	1.4
161.04547	2.0
165.01898	0.9
169.01379	0.5
175.00363	0.9
177.01898	2.5
178.99919	0.8
179.05586	3.2
179.14398	5.5
180.14650	0.5
181.12282	0.5
189.12854	0.8
191.14444	0.5
197.15462	5.8
205.15936	1.0
209.15584	0.6
217.15854	1.9
219.13896	7.9
220.14186	0.9
221.15498	2.3
223.16960	0.6
227.03557	0.5
233.15425	2.4
235.17035	5.6
236.17418	0.7
237.14922	3.0
243.03004	2.2
251.16597	2.1
253.18098	3.5
255.02956	3.5
268.03635	0.4
270.04346	0.5
271.02548	7.6
271.06113	41.6
271.19147	100.0
272.03177	0.5
272.06473	3.6
272.19473	10.6
295.06100	0.8
300.02734	13.4
301.03488	5.0
313.07080	1.2
433.07193	7.3
433.24481	32.6
434.11838	0.7
434.24887	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	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
60.04382	0.2
62.96383	0.3
67.86835	0.3
69.69094	0.6
69.69493	1.4
78.95906	57.3
84.04965	0.3
90.40958	0.3
96.96957	6.2
98.19945	0.7
125.70239	0.3
126.52207	0.3
150.98000	1.9
152.99590	100.0
153.99956	1.9
161.11523	0.3
171.00658	3.6
279.23264	0.8
408.23959	0.4
433.23593	6.1
434.24088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12665	0.6
55.01876	1.6
57.03449	2.8
57.13258	0.6
58.00602	4.4
59.01384	86.7
60.01719	1.0
61.98834	18.5
68.99827	0.8
69.03461	1.5
69.62740	3.2
70.44355	0.8
70.95314	0.6
71.01387	74.3
72.01723	1.6
72.99321	4.1
73.02952	12.8
75.00882	0.7
75.10732	0.6
81.03430	0.7
83.01397	5.0
85.02958	14.4
85.03446	1.1
87.00881	4.2
89.02451	100.0
90.02805	0.9
90.24101	0.7
95.01400	2.4
97.02924	2.2
97.12125	0.7
99.00888	9.2
101.02448	43.7
101.66842	0.7
102.02762	0.9
113.02457	23.5
113.03243	1.4
114.02807	1.0
119.03506	20.2
120.24775	0.8
125.02461	3.7
131.03508	20.6
143.03511	4.8
149.04559	31.1
150.04871	1.5
161.04576	7.8
179.05609	8.3
191.05626	8.1
192.05702	0.6
219.02820	0.7
225.12944	0.6
243.02864	0.8
245.39430	0.6
255.02916	1.7
271.02441	3.8
273.85675	0.7
285.03775	0.7
286.03751	0.8
300.02777	6.4
301.03207	1.6
301.16559	12.1
302.16876	1.1
373.17310	0.7
433.07471	2.8
433.20224	6.4
434.08380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	10.3
59.01382	82.1
61.98830	55.1
69.65323	60.5
71.01380	38.3
72.99313	21.7
73.02934	10.5
74.99093	18.9
75.00871	14.0
78.91863	14.3
83.01399	10.6
85.02928	10.3
87.00927	10.3
89.02435	26.4
93.04688	8.8
101.02444	30.1
109.02956	10.8
113.02442	12.8
113.37142	8.9
116.92902	10.8
117.30154	8.5
123.04519	10.6
125.02450	45.7
126.02800	8.6
126.05618	9.4
136.99126	25.8
137.02434	18.4
148.04053	13.8
149.02428	8.6
151.04008	12.9
161.02391	12.2
166.05090	18.4
210.04053	18.9
223.57733	8.8
272.76703	9.9
315.07397	9.2
397.17148	11.6
433.09656	10.1
433.14844	100.0
434.14905	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	433.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.8
59.01385	100.0
60.01707	1.0
61.93974	0.8
61.98833	2.6
63.32405	0.8
65.00338	3.3
67.52588	0.9
71.01389	13.6
72.99342	0.9
73.02935	1.1
75.00901	2.1
81.03458	2.6
81.28896	0.8
83.01405	3.5
85.02966	4.0
89.02445	14.7
93.03460	4.6
95.01398	3.1
97.02946	4.5
99.00861	0.8
101.02455	7.8
105.03483	2.3
107.01392	4.5
107.05043	1.1
108.02158	1.8
109.02966	1.9
113.02462	5.4
114.89945	0.8
117.03519	1.1
119.01461	0.9
119.03592	7.3
119.05029	30.9
120.05371	1.6
121.02962	5.9
123.00887	2.8
123.04530	1.6
125.02461	15.6
125.25522	0.9
128.75998	0.9
135.04471	1.0
137.02477	4.0
137.06239	1.0
139.04005	1.3
143.03485	1.2
143.05060	3.2
145.02959	2.3
149.02496	4.8
151.00404	8.9
151.04071	1.8
152.01141	1.4
155.03477	1.5
161.04514	1.7
163.00391	4.8
163.04007	1.2
164.01178	1.0
165.01950	8.4
167.03523	2.8
177.01903	2.3
179.03531	1.4
179.05598	2.0
185.06123	1.0
187.04074	2.8
190.99831	1.6
191.03474	1.7
193.01427	18.3
194.01672	1.2
199.07619	1.4
205.01454	1.3
207.02974	2.2
219.03017	2.9
223.02452	3.9
225.15060	2.0
227.07184	1.5
229.04913	1.0
241.08780	1.0
268.40430	0.9
269.08228	1.6
271.06183	8.8
283.06259	2.0
285.07703	1.0
297.07602	1.0
313.07187	82.7
314.07581	8.6
325.07297	2.3
343.08209	22.0
343.12192	1.7
344.08597	2.4
355.08008	1.2
373.13162	1.4
387.20337	17.5
388.20245	1.9
415.10187	2.2
433.11200	13.0
433.20792	2.5
434.11310	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	433.1144
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03442	0.7
59.01381	11.0
61.98562	0.8
61.98833	8.4
63.02393	2.3
65.00321	7.0
71.01385	5.6
71.14812	0.9
71.15150	1.1
83.01397	5.0
85.02930	1.3
89.02462	6.7
93.03468	7.5
95.01387	0.6
101.02429	3.5
107.00687	1.1
107.01395	15.6
108.02197	1.1
109.02957	0.9
110.00031	0.8
113.02441	2.6
117.03545	0.7
119.03529	2.1
119.05032	43.3
120.05370	2.0
121.02966	0.9
125.02453	1.0
131.01349	0.8
136.04083	1.1
137.02463	1.3
141.18651	0.7
145.03032	1.0
149.02400	0.6
151.00378	46.6
152.00874	2.0
153.01952	0.7
161.04611	1.1
165.01926	1.7
169.01433	0.8
175.00372	2.0
177.01917	6.7
178.99959	1.0
179.05588	1.6
186.88391	0.7
187.03973	1.0
227.07204	0.8
243.03017	1.7
254.02251	0.7
255.02975	3.9
269.04141	0.9
270.04401	1.0
271.02689	7.2
271.06119	100.0
271.19165	6.0
272.06445	11.5
295.06125	1.4
300.02771	15.0
301.03455	5.9
313.06985	1.9
353.27530	0.7
433.07153	7.2
433.24442	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	433.1142
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.68898	0.9
55.43208	0.9
59.01384	28.6
61.98819	2.8
63.02394	2.3
65.00325	7.0
67.63580	1.1
71.01388	15.1
72.95459	1.0
72.99303	1.2
73.02943	3.4
75.00886	1.3
79.01899	1.6
81.03449	3.0
83.01397	8.1
85.02943	4.7
89.02456	10.3
93.03458	7.6
95.01392	3.7
97.02981	6.2
98.19885	2.2
98.45760	1.3
99.04533	1.1
99.15628	1.2
101.02458	8.5
105.03470	2.0
107.01395	11.1
109.02955	4.0
111.00881	1.4
113.02469	5.7
117.03388	1.2
119.03513	4.5
119.05031	50.3
119.05894	2.4
120.05373	2.9
121.02950	8.0
123.00859	2.9
123.04536	5.5
124.04864	1.1
125.02461	21.3
126.02749	1.6
135.00940	1.1
135.04549	1.8
137.02477	6.2
139.00406	2.7
139.03998	2.6
139.54935	1.0
141.25117	1.0
143.03564	1.2
143.05006	4.0
145.02995	4.1
149.02492	5.9
151.00385	32.8
151.03912	2.0
152.00714	2.0
153.09190	1.4
155.03423	1.5
159.02995	1.4
161.02438	2.2
161.04527	4.6
161.05919	2.3
163.00414	6.6
163.04047	1.2
165.01903	12.3
167.03506	5.2
169.01436	1.4
173.06212	1.2
175.03864	1.5
177.01866	5.2
179.03529	2.3
179.05685	2.2
181.54250	1.0
185.06056	2.4
187.03918	5.4
191.03445	2.0
193.01427	25.9
193.05127	1.3
194.01855	1.8
199.07597	1.9
203.03474	1.9
205.01363	1.7
207.03044	1.5
208.28830	1.1
210.96175	1.2
211.81699	1.2
219.02919	2.3
221.08337	1.7
223.02431	3.0
225.14951	3.9
227.07103	3.4
269.08298	1.9
271.06131	39.0
271.09174	2.3
271.19177	2.4
272.06662	5.1
282.54184	1.1
283.06113	3.0
285.12448	1.4
313.07187	100.0
314.07544	11.7
325.07147	2.6
343.08255	28.3
344.08612	2.5
344.12659	1.3
355.08109	2.1
358.10651	2.6
359.15158	1.4
367.68814	1.1
373.12878	6.8
387.20370	2.5
401.12302	2.0
433.10837	19.5
433.16104	1.8
433.20792	9.5
434.11508	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	432.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42858	18.3
59.01390	18.7
61.98824	90.8
65.28991	23.6
67.04604	17.9
71.62356	26.1
75.91619	18.6
76.51114	19.7
78.95908	71.6
80.28223	18.1
80.86037	20.3
82.87614	20.2
129.69353	18.8
140.49948	23.1
152.99596	100.0
182.79268	20.7
204.65671	18.6
233.89299	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	433.0774
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
59.01371	0.8
65.00313	1.0
69.36418	2.7
70.24309	0.3
73.77434	0.3
83.01368	0.5
91.01882	0.6
93.03413	0.4
98.20599	0.5
107.01412	2.0
108.02197	1.5
109.02945	1.1
121.02940	1.1
135.00850	1.1
145.37791	0.3
148.01672	1.8
151.00357	6.2
163.00410	1.9
164.01134	0.8
165.22597	0.2
169.01541	0.4
178.99873	3.2
183.04506	0.3
187.03928	0.3
192.00548	0.5
199.04024	0.7
201.05563	0.5
211.03963	0.7
215.03539	0.9
216.04233	0.6
226.02744	1.6
227.03488	3.0
229.05064	0.4
243.02974	9.9
244.03470	0.9
245.04543	0.7
254.02217	2.0
255.02971	23.3
256.03394	2.4
271.02466	54.8
272.02917	5.7
273.03958	0.9
283.02542	0.5
299.01990	1.7
299.35593	0.4
300.02740	100.0
301.03375	31.2
302.03836	2.7
433.07733	55.5
434.08081	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	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88652	0.7
59.01379	17.7
59.74874	0.8
61.98830	93.4
63.02407	3.1
65.00327	6.6
71.01389	5.9
71.65238	1.1
73.02938	0.9
83.01383	4.4
85.02944	0.9
88.85516	0.8
89.02442	6.5
93.03465	8.0
93.04005	1.2
101.02444	3.4
107.01376	10.5
112.82978	0.8
113.02464	2.2
117.03474	1.2
119.03651	1.6
119.05023	38.1
125.02402	1.9
131.01431	1.2
133.74005	0.8
134.83524	0.8
137.02400	1.3
151.00377	42.1
152.88414	1.0
164.01089	1.0
165.01898	2.1
169.01379	1.8
175.00330	2.0
177.01945	5.1
179.05461	1.0
243.03058	1.2
255.02948	4.3
268.03674	6.7
269.04120	15.6
270.04843	4.7
271.02661	5.9
271.06104	100.0
282.04926	1.5
283.05994	2.0
284.06430	5.2
285.06842	1.2
295.06128	1.5
300.02728	13.9
301.03488	3.3
311.05502	2.6
312.06046	7.1
313.06918	1.8
324.05780	1.5
342.07095	2.1
432.04684	1.7
432.10165	26.3
433.07162	9.7
433.24377	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	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16245	0.7
53.69967	0.7
59.01387	14.0
61.98833	100.0
63.02407	1.8
65.00042	0.8
65.00316	4.5
69.36478	4.5
69.36898	2.3
71.01376	4.1
83.01408	2.4
85.02973	1.4
85.39797	0.7
85.85925	0.6
86.79314	0.7
89.02429	4.0
93.03457	5.9
94.59209	0.8
101.02486	3.2
107.01392	8.7
113.02454	2.0
117.03504	1.1
119.03600	2.1
119.05033	26.7
125.02475	1.6
137.02501	1.2
151.00374	28.9
163.00385	1.0
164.01108	0.9
165.02026	1.7
177.02000	4.6
178.99919	0.7
179.05710	1.0
240.04004	1.3
241.04666	0.9
243.03073	2.3
255.03065	3.2
268.03729	6.6
269.04163	17.0
270.04874	6.0
271.02689	8.4
271.06107	69.7
283.06204	1.3
284.06448	4.8
300.02734	13.3
301.03503	3.6
312.05978	6.1
342.07178	2.1
432.10178	23.7
432.22937	1.1
433.07089	6.6
433.24591	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	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03457	1.0
59.01378	18.1
61.01817	0.8
61.98832	100.0
69.41051	1.6
69.41447	5.8
71.01380	8.6
72.99300	1.1
73.02953	1.7
76.29144	0.7
83.01447	0.8
83.41277	0.7
85.02955	2.2
89.02448	6.8
99.87183	0.6
101.02441	4.2
107.01431	0.7
109.02953	0.9
112.33282	0.7
113.02474	3.2
119.03507	2.4
125.02457	1.0
151.00322	3.4
151.85161	0.7
151.86401	0.7
161.04596	1.3
163.04027	0.9
179.05592	1.1
202.02879	0.7
207.24390	0.7
241.04520	1.0
243.02957	2.1
255.02965	6.7
268.03732	7.9
269.04144	20.5
270.04797	6.0
271.02493	11.3
283.06122	1.3
284.06586	1.1
300.02734	23.1
301.03424	6.2
312.06024	3.8
342.07050	1.1
432.10190	23.3
432.23251	1.3
433.07291	11.2
433.24649	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	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18237	0.5
55.01877	1.9
56.44926	0.5
56.47865	0.5
57.03445	2.6
58.00602	3.5
59.01380	72.0
61.98830	100.0
69.03460	1.4
69.64262	2.0
69.64674	1.9
71.01385	60.3
72.99309	4.1
73.02949	10.8
75.00857	0.8
83.01393	4.4
85.02953	14.4
87.00880	2.6
89.02444	78.8
95.01405	2.6
97.02959	1.2
99.00880	6.7
101.02444	40.1
113.02451	17.3
119.03493	16.7
119.04305	1.1
125.02447	4.0
131.03510	15.5
131.04430	1.1
137.02463	0.6
143.03481	4.0
149.04556	27.4
152.00972	0.5
161.04559	6.2
174.32936	0.7
179.05620	8.2
182.09093	0.5
191.05577	5.9
191.06779	0.6
209.06090	0.7
227.03569	2.7
228.03821	2.9
243.03065	0.7
255.02850	3.8
256.01138	0.6
256.03427	4.3
257.03964	0.7
271.02545	2.1
284.03317	2.3
285.03772	6.6
286.04391	7.3
287.04581	0.9
300.02740	5.4
301.03625	1.7
301.16562	10.4
312.06085	1.9
313.68427	0.6
342.06833	0.8
369.01944	3.8
432.10181	7.3
433.08130	2.1
433.20374	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	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93958	0.6
59.01384	42.6
61.69450	0.5
61.98835	100.0
69.69520	3.4
71.01382	4.3
73.02977	0.7
82.56567	0.5
83.01415	0.8
85.02947	0.9
89.02454	2.6
93.03534	0.7
101.02430	3.0
103.12680	0.6
107.01392	1.1
109.02985	0.9
110.04575	0.5
113.02466	1.2
119.03532	1.2
121.02973	1.2
124.09400	0.6
125.02417	0.8
148.01787	0.7
151.00381	5.9
161.04568	1.3
163.00423	1.6
178.99886	3.5
183.10374	1.0
211.04041	0.6
215.03246	0.6
226.02708	1.0
227.03590	1.6
229.55663	0.6
241.01404	0.6
243.02975	5.0
245.04518	0.6
254.02301	1.0
255.02977	12.0
271.02472	24.1
272.03125	1.1
273.03961	0.6
283.06476	0.6
284.06647	0.9
284.22000	0.6
299.01971	1.7
300.02759	38.9
301.03558	24.1
312.05978	1.5
346.23508	0.6
373.22360	2.4
432.06070	0.9
433.07751	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77837	1.4
57.03438	4.6
59.01382	79.5
61.98827	5.3
69.03448	2.7
70.20289	5.9
78.70798	1.6
78.95906	3.5
83.05013	3.5
85.02956	1.8
93.03471	1.9
95.04991	2.5
97.02953	1.9
97.06597	2.4
107.04971	1.7
109.06587	1.6
111.04540	1.9
115.86306	1.5
117.03482	22.1
119.05042	30.6
121.02964	2.3
123.04558	3.1
125.02432	3.5
135.08206	1.5
137.06120	2.5
137.09720	1.7
145.02963	100.0
146.03305	4.7
148.05301	4.4
151.07648	4.1
151.11232	1.5
152.99536	10.9
161.09727	1.9
163.04027	17.7
163.07663	2.5
165.09198	1.8
169.12358	3.1
183.08191	2.3
189.12778	1.8
199.11299	4.4
201.09274	2.1
216.11453	2.9
217.12424	3.3
227.03531	5.8
229.05136	2.3
255.03012	9.4
267.19498	1.6
271.22763	30.2
272.23196	4.7
283.06128	6.9
284.03391	8.3
285.04053	17.1
285.20660	7.0
311.05612	8.7
313.23788	29.9
314.24158	5.3
341.06778	2.9
387.21133	2.3
387.25610	3.7
413.23267	5.4
431.10153	14.5
431.24359	58.8
432.10281	3.4
432.24487	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	431.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72178	0.6
57.03430	1.0
59.01379	100.0
60.01700	1.0
71.45251	1.1
89.02473	0.6
91.04008	1.7
93.03474	0.6
97.02953	0.6
106.78549	0.6
111.04533	0.9
115.80456	0.6
117.03477	7.1
119.05014	11.0
119.05794	0.9
121.02978	0.9
121.06557	0.7
145.02957	45.3
146.03328	2.6
151.11185	0.6
163.04022	8.6
167.11032	0.6
177.62212	0.6
185.18282	0.5
188.08365	0.6
225.22530	0.6
227.03508	0.9
255.03049	1.9
283.06268	1.6
284.03299	1.5
285.04031	3.1
285.20740	3.5
291.35370	0.6
297.24432	2.0
311.05801	2.2
326.68161	0.6
341.06912	0.9
431.10138	3.3
431.24261	16.6
432.24701	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03455	0.5
59.01381	100.0
60.01724	1.2
61.98835	0.3
69.34837	1.7
69.35248	0.6
71.01383	6.5
71.01761	0.4
72.99304	0.3
73.02957	2.5
83.01400	0.9
84.56519	0.2
85.00786	0.2
85.02964	2.6
87.00884	0.4
89.02431	1.3
92.13123	0.2
95.01432	0.4
99.00906	0.7
101.02444	4.9
104.61848	0.2
107.01437	0.3
113.02468	2.7
125.02453	0.5
137.02478	0.3
143.03522	0.4
159.03038	0.6
161.04556	5.9
185.06073	0.3
227.03471	2.5
228.03851	0.5
229.05122	1.0
241.01395	0.3
255.02985	4.9
256.03513	0.6
257.04654	0.6
268.03809	0.4
269.04388	0.4
270.01654	0.4
283.06149	1.2
284.03247	3.9
285.04022	9.0
286.04477	0.9
311.05521	1.5
341.06793	0.5
371.20724	5.6
372.21155	0.8
431.10086	4.0
431.22684	0.8
432.10016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.6
57.93383	3.4
59.01374	10.6
61.98821	4.0
69.03465	15.0
69.96860	3.5
70.03811	4.0
71.01382	6.9
71.05022	28.5
73.18194	4.2
76.77234	4.2
82.82497	3.6
83.05021	9.1
85.06612	8.0
97.06585	5.5
99.08172	17.4
107.05029	4.2
117.03495	5.0
119.05044	6.7
123.08156	4.4
134.50488	3.9
145.02959	26.1
148.05292	4.1
149.09735	22.5
151.11276	26.6
154.68230	3.5
156.05777	7.8
165.07072	8.1
169.06618	9.5
169.10121	4.8
169.12343	100.0
170.12700	4.4
171.04549	4.7
171.08086	10.1
173.09779	4.8
174.06839	16.1
181.10248	44.6
183.08134	13.2
184.08844	4.5
185.09749	4.7
191.10814	5.1
197.09717	9.6
199.11305	90.8
200.11629	7.1
201.12901	19.9
210.06729	5.1
215.10732	16.9
216.11525	69.4
217.12215	10.1
227.03322	7.1
234.12476	4.3
242.05991	5.2
243.10126	19.9
244.10486	5.0
253.15933	5.9
255.03050	7.8
260.10599	4.0
271.16837	6.7
278.11618	7.0
281.19110	5.3
283.06052	6.0
284.03204	7.5
285.03989	14.4
318.19818	5.9
323.23749	9.0
333.17020	7.7
333.22324	22.0
351.23215	14.7
362.83704	4.1
369.24350	4.8
387.25079	6.9
395.22235	11.2
410.94662	3.6
413.23328	31.5
414.23795	5.2
431.09778	8.8
431.24405	57.2
432.24615	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	1.6
61.98835	0.8
68.40162	0.4
69.61056	0.9
69.61462	2.3
71.01387	5.7
73.02962	2.4
83.01400	1.2
85.02982	1.7
87.00912	0.4
89.02448	4.2
97.59922	0.4
99.00915	0.8
101.02448	6.9
113.02447	2.7
119.03514	4.4
137.02524	0.5
143.03528	0.5
161.04549	4.5
165.12904	1.2
179.05605	0.8
191.14479	1.6
209.15500	0.9
227.03465	4.9
229.05244	1.0
231.13988	0.6
255.03008	7.5
256.03674	1.4
257.15536	1.6
269.17584	0.7
275.16531	2.0
283.06152	1.0
284.03284	6.7
284.06418	0.5
285.04016	10.5
285.07001	0.6
286.04407	1.0
299.05728	0.4
311.05600	2.2
327.18353	1.9
353.19913	0.6
358.24423	0.4
371.20914	2.5
431.09851	7.4
431.22983	1.5
432.10236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76732	0.4
55.01905	0.4
55.25120	0.4
57.03438	0.4
58.00592	0.7
59.01385	100.0
60.01720	1.1
61.98833	5.3
62.21846	0.4
70.39726	1.6
71.01396	6.4
72.99332	0.4
73.02957	1.4
83.01406	0.8
85.02962	2.0
87.00913	0.8
89.02449	5.3
95.01416	0.6
98.20602	0.5
99.00900	1.3
101.02452	7.0
102.26804	0.4
113.02440	2.8
117.03461	0.5
119.03503	4.9
120.10784	0.4
121.03029	0.6
123.45673	0.4
125.02465	1.0
143.03526	0.8
152.54843	0.4
159.03087	0.6
161.04585	3.6
163.00444	0.5
165.12903	1.5
179.05595	1.1
185.06013	0.5
191.14491	2.1
209.15472	3.3
227.03445	5.4
228.03838	0.5
229.05084	0.7
231.13940	0.7
255.02953	8.0
255.05348	0.6
256.03546	1.2
257.04395	0.4
257.15485	0.9
269.17755	0.7
275.16605	1.8
283.06174	1.4
284.03287	6.1
285.04095	10.3
286.04544	0.8
287.22354	1.1
311.05557	2.6
327.17966	2.1
341.07108	0.6
371.20663	3.7
431.09940	7.4
431.16382	0.5
431.17853	0.4
431.22150	1.0
431.27753	2.3
432.10254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.1
59.01374	11.2
61.98521	1.5
61.98835	28.3
69.03449	1.7
71.01372	1.3
73.02944	1.4
83.05029	4.5
88.04118	1.0
92.72449	1.0
95.04992	2.3
97.06585	13.3
98.20661	2.4
109.06612	1.8
114.44412	1.3
117.03453	1.1
121.02940	2.2
121.06545	1.5
122.03712	1.8
123.08171	7.6
123.88777	1.0
125.02529	1.1
125.09726	100.0
126.10044	4.1
137.09735	1.4
141.03725	1.2
143.10709	1.3
151.07657	2.3
161.02359	1.4
162.70717	1.2
163.07637	3.3
163.11314	1.1
169.08707	4.0
187.09756	83.9
188.10118	4.3
227.03481	7.8
228.03839	1.3
229.05014	1.5
243.12526	1.2
255.02968	11.8
256.03418	1.6
261.13409	23.0
262.13806	2.3
268.03732	1.2
283.06152	9.4
284.03281	11.0
285.04013	17.1
311.05576	10.8
324.07657	1.1
341.06647	3.5
343.22809	4.1
368.06592	2.0
387.21494	5.7
387.25961	1.8
431.10565	14.8
431.23050	63.9
432.10245	1.9
432.23474	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21628	1.0
57.03447	7.1
59.01379	11.7
60.24902	1.2
61.98836	23.8
69.95540	2.5
69.95931	2.9
71.01366	1.2
71.05014	1.5
72.99306	1.3
73.02943	1.1
83.05054	3.1
85.02941	1.0
95.05025	1.5
96.96017	1.9
97.06602	13.0
103.85040	1.1
121.02967	3.3
123.08198	7.8
125.02429	1.4
125.09732	100.0
126.10046	5.8
163.04031	1.4
163.07645	2.9
164.04669	1.5
169.08705	2.7
187.09766	80.5
188.10078	5.3
223.13335	1.3
227.03503	9.9
229.04915	1.2
255.02972	13.5
256.03598	2.0
257.04422	1.3
261.13425	24.3
262.13687	1.4
283.06100	7.5
284.03320	11.2
284.06161	2.2
285.03995	17.6
286.04514	2.0
299.18594	1.6
311.05609	12.3
341.06540	3.1
343.22678	3.2
351.65118	1.3
369.22369	1.2
387.21432	6.4
413.23416	1.3
431.10229	14.5
431.22906	62.7
432.10080	2.3
432.23380	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	431.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	29.8
59.01373	29.6
61.98812	7.3
69.03456	34.0
69.34801	51.7
71.05019	24.3
83.05017	8.2
85.06572	10.2
97.06592	10.2
98.03678	5.4
99.04519	9.6
99.08138	17.4
105.07122	5.8
109.06578	12.3
123.08155	6.8
125.09671	7.9
139.93852	7.1
146.18282	5.6
147.11751	5.6
151.11263	11.2
152.99603	5.8
161.06065	5.7
161.09662	22.0
167.03566	7.6
169.12358	49.2
173.09692	14.3
173.13344	12.0
181.10262	8.2
191.10721	23.6
191.14333	13.9
199.11243	8.5
205.08565	6.0
206.22885	5.6
217.08653	9.3
217.12325	37.0
227.03467	14.2
235.09758	15.0
255.02954	17.5
261.11398	8.1
283.06192	7.4
284.03186	10.0
285.04022	21.6
311.05597	19.5
338.51172	6.2
351.23062	37.4
387.21497	19.5
387.25891	40.8
388.25754	8.8
431.09799	20.3
431.24496	100.0
432.09360	7.6
432.24728	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	431.2205
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.49546	0.3
67.40672	0.3
69.94741	1.4
78.95906	65.0
80.63215	0.3
87.46328	0.3
96.96970	6.8
98.20596	0.5
150.97993	1.7
152.99591	100.0
153.99918	1.8
171.00635	4.1
277.21667	0.5
431.22089	6.7
432.22531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01547	0.2
60.76176	0.3
67.18156	0.2
69.33593	0.2
70.95508	0.6
78.95905	71.3
96.96965	6.2
103.38574	0.2
118.30074	0.2
150.98001	1.8
152.99590	100.0
153.99936	1.6
171.00641	2.9
188.77321	0.3
231.90352	0.2
277.21704	0.5
315.54535	0.2
379.42697	0.3
431.22040	10.2
432.22260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98490	1.6
55.01851	1.6
57.03448	7.0
58.00569	1.9
59.01382	51.1
69.03445	2.3
69.54733	11.1
71.01384	42.0
72.99253	1.9
73.02954	9.6
81.03453	1.4
83.01348	4.6
85.02941	8.5
87.00881	2.7
89.02444	54.4
95.01343	2.5
97.02922	4.1
101.02445	28.1
109.02938	7.4
113.02451	11.0
117.05563	1.6
119.03433	5.7
119.04985	6.5
123.00907	9.4
123.04433	4.8
124.01677	21.2
125.02448	83.5
126.02698	3.9
127.50070	1.6
131.03516	18.9
137.02435	10.2
139.03926	1.9
149.02425	2.8
149.03514	2.4
149.04550	34.5
149.98497	2.1
149.99594	32.2
151.00302	2.8
151.03947	4.8
161.02361	5.8
161.04500	3.0
163.00262	5.4
163.03804	1.5
167.03438	2.8
168.00642	65.4
169.01283	7.4
175.04007	2.5
179.05525	4.5
191.05635	8.0
208.20555	1.4
241.05125	1.8
243.02890	1.7
245.08095	3.1
285.03851	6.8
286.04559	1.6
289.07236	10.6
290.07623	1.9
313.05536	1.9
340.50256	1.6
373.07443	1.6
375.60986	1.5
401.63708	1.4
411.06876	3.2
431.11612	100.0
432.11917	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	431.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41157	3.0
57.03430	11.6
59.01374	26.8
59.54310	2.7
61.85089	3.4
61.98820	11.9
62.48848	3.5
69.03443	4.1
70.29939	9.6
71.01372	3.8
71.05026	3.8
76.20965	3.6
83.05048	8.6
85.02947	5.9
97.06590	6.1
97.84669	3.7
99.04523	4.4
107.04984	6.1
114.77702	3.5
117.03439	3.3
121.06583	5.6
123.08110	4.0
125.02443	4.7
125.09675	3.7
135.04471	3.4
135.08130	5.9
137.09773	4.4
150.63123	3.0
151.07602	4.0
151.11217	4.2
163.03941	5.2
163.07646	7.6
165.09204	4.5
169.12234	3.6
173.09680	4.7
173.13289	5.7
175.07567	4.0
189.16502	10.6
191.10748	11.3
199.11250	8.1
215.14331	4.1
217.08556	3.8
227.03389	6.9
235.09647	3.6
243.65700	3.7
255.03049	17.1
261.07657	5.7
283.06161	11.4
284.03262	14.8
285.04086	22.3
289.18146	4.2
311.05679	20.2
357.20981	5.1
387.25528	37.7
388.25665	10.2
413.23676	6.5
431.10239	17.7
431.24561	100.0
431.33310	5.0
432.24884	17.8
435.69266	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
52.67735	0.7
53.62611	0.8
55.01880	1.4
57.03445	4.7
58.00595	2.0
59.01381	31.3
61.98814	2.9
64.16585	0.7
68.96997	0.7
69.03453	2.9
69.55694	5.0
69.56089	1.7
71.01385	31.7
71.05016	3.8
72.99293	3.0
73.02945	9.9
74.99097	1.0
75.00883	1.0
81.03435	2.1
83.01379	6.0
83.05048	1.3
85.02962	13.1
87.00868	3.0
89.02444	22.8
93.03464	1.5
95.01395	5.3
95.05000	0.9
97.02969	4.8
98.20685	1.3
98.40054	0.7
99.00871	2.5
101.02447	21.6
105.01954	3.7
107.01360	1.1
108.02223	1.3
109.02961	3.5
110.02448	1.2
111.00868	0.9
113.02448	11.8
114.05588	2.0
117.03438	1.3
117.05586	9.4
119.03519	7.0
120.01220	3.2
120.99670	1.4
121.02975	2.2
123.00897	8.8
123.04518	5.5
123.08215	0.8
124.01671	25.2
125.02454	66.3
126.02762	2.5
131.03477	2.5
133.02933	1.0
136.99165	1.3
137.02472	7.6
143.03453	2.7
149.02399	2.7
149.04547	3.1
149.99590	34.7
150.03159	0.8
151.00256	2.7
151.04010	9.0
153.02011	1.0
159.02959	1.8
161.02393	3.2
161.04570	11.3
163.00325	2.2
164.07135	1.3
165.01920	2.0
166.00023	0.8
167.03531	5.2
167.10641	0.8
168.00644	65.5
169.01364	7.9
175.04037	1.4
177.01933	1.0
179.03477	1.3
179.05621	5.7
179.10692	1.4
186.29173	0.8
189.48912	0.8
205.05038	1.6
205.12314	1.1
207.03212	0.8
238.06256	1.3
239.07059	1.1
245.08202	1.3
249.95660	0.9
255.03035	1.0
267.96802	1.6
269.08231	1.8
269.17517	5.7
283.06155	4.1
285.04019	2.8
287.05460	1.1
289.07172	6.0
299.11380	10.2
300.11716	1.1
311.05606	6.9
313.05655	5.0
323.05612	0.9
341.06610	1.3
371.16986	0.9
411.07339	1.1
413.10950	2.0
431.11826	100.0
431.23343	7.2
432.12167	13.7
432.23218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47465	1.3
59.01373	5.4
60.99310	11.3
71.01388	5.7
71.02238	2.4
73.02918	1.8
75.00878	3.2
81.03487	1.6
83.01380	1.7
85.02961	5.3
87.00899	4.9
88.98810	100.0
89.02446	14.8
89.99113	2.0
93.03468	2.5
101.02450	5.2
108.02187	18.2
109.02974	11.9
119.03497	2.1
119.63779	1.3
125.02457	3.5
152.01157	20.9
153.01932	10.2
179.05647	1.4
191.01945	1.6
191.05611	45.7
192.05920	2.8
315.07120	7.6
387.09277	2.3
431.12012	27.6
432.12332	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	431.0982
Annotation	Vitexin
Peak:m/z	Relative Intensity
68.75069	1.1
69.41439	7.9
69.41857	2.7
71.01381	1.1
77.03963	4.2
79.01897	2.5
93.03462	4.9
105.03461	2.2
107.01320	1.3
117.03465	18.5
119.05021	1.5
121.02969	3.3
125.02394	1.3
135.04532	3.9
148.01707	1.2
149.02452	3.2
159.04500	4.5
161.02507	6.7
163.03996	5.2
165.01921	2.0
169.06599	1.2
176.86121	1.2
189.01921	1.2
196.05263	1.5
197.06129	2.1
203.03610	2.1
211.07649	1.9
215.07224	1.3
239.07068	2.6
253.05008	1.5
268.03793	2.9
269.04456	3.6
281.04602	7.0
282.05276	4.9
283.06128	70.0
284.06396	10.4
293.04489	2.1
295.06137	2.7
311.05624	100.0
312.05917	12.5
314.04401	1.6
323.05548	6.7
324.06143	1.4
341.06573	15.7
342.06943	2.2
431.09793	54.4
432.10086	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	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55143	0.3
59.01390	4.2
61.01833	0.4
61.98833	3.4
62.26699	0.5
63.02404	1.4
65.00336	0.5
71.01379	0.9
83.01401	1.1
83.61159	0.3
85.02922	0.4
89.02447	0.8
101.02458	1.0
107.01376	2.0
113.02435	0.5
117.03490	1.7
119.03571	0.5
121.63147	0.5
136.86798	0.4
148.01607	0.6
149.02425	1.6
151.00394	3.1
152.86485	0.4
171.04517	0.9
172.05251	0.8
183.04459	0.5
184.05318	0.4
196.05261	0.7
199.03951	0.5
200.04793	0.5
211.03981	1.3
212.04750	1.0
227.03603	0.5
229.25629	0.5
239.03519	3.1
240.04269	4.7
267.02975	2.4
268.03769	100.0
269.04440	35.0
270.04877	2.5
271.02527	0.4
283.06024	2.0
311.05524	2.6
379.69247	0.4
431.09827	75.0
432.10190	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78440	0.4
59.01374	2.6
63.02397	0.3
93.03473	1.1
107.01416	1.4
125.02492	0.4
132.02155	1.0
135.00900	1.7
141.07149	0.4
143.05029	1.1
151.00314	0.9
156.22165	0.4
157.06543	0.5
159.04517	1.1
163.00374	2.4
165.01997	0.8
167.05034	0.6
169.06549	1.0
171.04449	0.6
178.99908	0.4
183.04501	1.8
185.02428	0.5
185.06061	1.9
187.03967	2.6
189.05536	0.9
191.00002	0.5
195.04536	0.6
197.06070	0.6
199.03864	0.6
201.05573	0.5
211.03981	3.4
212.04539	0.4
213.05551	1.9
223.04138	0.5
227.03497	51.4
228.03821	5.3
229.05045	9.7
229.33211	0.4
230.05310	0.8
239.03496	1.5
240.04257	0.4
241.05034	1.3
248.58200	0.4
255.02980	71.0
256.03479	10.5
257.04532	5.4
258.04919	0.6
267.03082	0.7
284.03256	59.2
285.04022	100.0
286.04376	9.3
327.05200	0.7
380.85028	0.5
431.09811	52.2
432.10184	9.8
436.28043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10519	0.8
54.15171	0.7
57.03445	1.7
58.91563	0.9
59.01372	3.6
61.98835	100.0
69.45313	6.3
71.01371	1.5
74.26646	0.8
85.02928	0.7
97.02946	1.1
98.20629	1.7
101.02434	1.1
109.02956	1.3
113.02451	0.9
121.02944	0.9
122.03709	0.9
123.04517	1.6
125.01614	1.0
125.02448	10.2
137.02414	1.3
149.99619	1.3
151.03958	1.9
151.27304	0.7
161.02448	1.4
163.00339	1.4
167.03345	0.8
168.00627	1.9
181.06311	0.9
251.16542	1.1
269.17514	3.5
285.04059	3.2
289.07028	3.8
411.07230	1.7
431.11664	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	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83036	0.6
57.03454	1.5
59.01370	6.1
61.98830	6.2
71.01386	2.3
71.60434	0.9
71.60838	1.1
72.00906	10.9
72.99313	1.4
75.00862	1.8
78.95891	1.4
85.19979	0.7
88.98810	3.5
89.02459	2.1
93.03460	1.2
94.14590	0.7
95.01384	0.8
96.96976	2.4
98.02470	1.0
99.92573	1.1
101.02443	1.7
108.02158	0.9
109.02952	2.6
113.02445	1.1
115.00307	0.7
116.92892	1.9
119.03491	1.2
119.04981	1.0
119.27019	0.7
123.04443	0.8
125.02449	9.7
137.02423	3.4
139.04076	1.1
147.04521	34.0
148.04884	2.3
149.02466	1.6
149.90379	0.7
151.04016	2.0
152.01070	1.3
163.00368	1.9
164.07162	100.0
165.01999	1.2
165.07515	4.9
165.74669	0.6
175.03914	1.1
191.03377	0.9
203.07257	0.7
205.05145	0.8
279.93045	0.9
285.04053	3.2
289.07162	5.4
411.07211	2.2
431.12204	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66581	1.0
59.01381	35.3
61.98817	3.1
63.02389	1.0
64.12124	0.9
65.00329	1.2
71.01407	6.6
71.40647	1.7
78.10050	0.9
83.01360	2.1
83.86159	0.9
85.02929	2.0
86.38914	1.0
89.02428	5.2
90.18511	0.9
93.03464	2.2
95.01375	1.1
101.02445	2.8
105.63189	1.2
107.01382	2.5
113.02429	3.0
117.03458	1.8
119.03490	2.7
125.02431	3.7
133.02916	1.7
135.04439	1.1
137.02428	3.6
151.00360	4.6
158.03728	3.5
159.84294	1.1
161.02504	4.9
161.04581	1.7
170.03712	1.2
171.04570	1.7
173.02493	1.8
174.03264	1.2
178.99889	3.2
185.02315	1.1
186.03209	6.4
189.01886	3.0
190.02600	1.1
197.02448	1.1
198.03281	1.6
199.03857	2.3
201.01843	1.5
214.02734	11.5
215.03305	2.5
216.00569	2.2
227.03461	2.8
241.01425	69.6
242.02182	26.3
243.02817	8.6
245.00908	28.5
246.01274	3.5
247.75220	1.1
269.04468	1.9
270.01697	67.6
271.02423	46.9
272.02750	4.0
273.00586	2.2
281.04654	1.3
282.01761	1.3
283.06085	9.6
284.03433	1.1
284.06497	1.4
295.06134	1.1
298.01190	38.1
299.01956	49.3
300.02313	4.6
311.05569	11.5
312.06195	1.1
341.02911	1.4
341.06647	2.5
403.06653	4.2
431.06088	100.0
431.22476	2.1
432.06393	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01381	100.0
60.01722	1.0
61.98833	4.0
71.01398	0.9
71.63836	1.1
83.05034	1.2
83.80256	0.7
91.04018	2.6
99.92593	0.7
109.02913	0.8
121.06573	2.1
123.04494	1.0
125.16385	0.9
146.88731	0.8
149.06035	1.3
167.10818	1.1
179.07042	0.9
189.53583	0.8
195.13911	1.5
205.08670	1.2
268.30301	0.7
277.21686	1.5
295.22778	12.8
296.23129	2.1
315.25293	2.1
325.47754	1.0
341.24704	1.6
366.23502	1.3
369.30103	1.0
385.23697	3.0
429.22687	10.9
429.31955	2.7
430.22989	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	429.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87558	1.5
57.03447	2.1
59.01382	9.2
61.98819	5.6
71.63444	2.1
72.99305	4.6
79.04836	1.1
83.04999	1.5
84.59151	1.3
92.82304	1.5
93.38409	1.5
97.06563	2.3
97.40878	1.5
109.06607	1.7
113.09728	5.2
141.09158	5.5
141.12839	2.2
147.04456	1.7
159.10258	46.3
160.10634	2.8
161.99889	1.5
215.10588	1.9
228.11415	1.6
229.71156	1.5
238.02354	1.7
247.33122	1.5
250.49962	1.4
269.21249	4.7
285.20908	3.3
287.22290	87.4
288.22552	5.4
293.21173	2.4
385.23749	3.2
429.23010	19.7
429.32147	100.0
430.23059	4.2
430.32538	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	430.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29021	0.4
57.03456	1.6
59.01389	2.5
61.98836	100.0
69.54264	0.9
69.54662	2.7
71.01392	2.0
83.01379	1.1
88.00391	0.6
89.02460	1.2
101.02445	0.7
108.02203	1.3
109.02956	2.8
113.02493	0.6
118.40012	0.5
121.02990	0.7
123.04545	2.2
125.02460	12.0
133.02975	0.5
137.02451	1.8
147.04680	0.6
149.02472	1.3
151.03978	2.3
152.01212	0.6
153.01956	0.7
161.02483	2.2
163.00368	3.2
165.01973	1.0
175.04010	1.2
177.01956	1.0
187.04045	1.0
199.04103	0.6
203.07144	1.4
205.05168	0.5
235.59052	0.6
245.08195	1.2
261.90286	0.5
285.04062	5.1
289.07208	6.9
315.07404	1.4
346.77014	0.5
411.06961	2.6
431.12360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01381	100.0
60.01722	1.0
61.98833	4.0
71.01398	0.9
71.63836	1.1
83.05034	1.2
83.80256	0.7
91.04018	2.6
99.92593	0.7
109.02913	0.8
121.06573	2.1
123.04494	1.0
125.16385	0.9
146.88731	0.8
149.06035	1.3
167.10818	1.1
179.07042	0.9
189.53583	0.8
195.13911	1.5
205.08670	1.2
268.30301	0.7
277.21686	1.5
295.22778	12.8
296.23129	2.1
315.25293	2.1
325.47754	1.0
341.24704	1.6
366.23502	1.3
369.30103	1.0
385.23697	3.0
429.22687	10.9
429.31955	2.7
430.22989	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61642	0.4
57.03445	0.6
58.00607	0.9
59.01381	100.0
60.01720	1.4
60.09989	0.4
61.98832	9.0
71.01385	11.4
72.99319	1.5
73.02952	1.6
74.17670	0.4
83.01409	2.0
83.05025	0.6
85.02952	2.8
87.00912	0.9
89.02447	13.9
101.02448	11.4
109.02980	0.7
113.02448	2.9
119.03513	8.7
121.02992	0.5
125.02492	1.1
125.06103	0.6
137.02501	1.0
143.03557	1.2
161.04593	1.8
165.12900	1.5
168.00639	0.7
179.05571	3.4
201.80638	0.5
207.13939	4.2
219.13922	1.3
221.15590	0.6
227.03490	2.6
229.05063	0.6
231.13976	0.7
247.35706	0.4
249.15031	2.0
255.02989	3.9
256.03778	0.5
267.15958	0.9
284.03314	3.3
285.04041	11.9
285.07004	0.9
286.04474	0.7
429.08481	2.9
429.15952	0.9
429.20599	3.2
430.08807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.2
59.01386	100.0
60.01712	1.0
61.98841	1.1
69.61736	3.4
71.01390	14.6
71.01762	0.9
72.99320	1.0
73.02950	0.8
83.01400	0.9
85.02960	2.2
87.00900	1.1
89.02458	21.2
90.02780	0.5
95.01417	0.9
98.20633	1.0
101.02452	7.4
112.45379	0.5
113.02453	6.9
119.03513	8.2
131.03560	1.3
143.03551	1.4
149.04552	0.9
161.04594	1.9
179.05640	4.4
188.45969	0.5
267.16272	0.6
315.46033	0.5
429.21796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2282
Annotation	CJ 15544
Peak:m/z	Relative Intensity
51.52869	1.2
57.03444	3.1
57.84031	1.0
59.01382	19.0
61.98821	2.0
69.03452	1.4
69.56026	7.9
71.01385	1.2
71.05013	6.2
78.95904	2.4
81.03463	1.8
81.07094	2.0
83.05043	11.9
93.44567	1.1
95.05022	1.4
96.96013	1.5
97.06583	1.7
107.04994	1.2
109.06565	1.7
111.04526	61.3
112.04851	1.4
113.06086	1.1
121.06635	2.1
123.04506	3.3
128.51421	1.0
135.04578	1.7
135.08218	2.5
137.09705	3.7
152.99580	4.0
153.09277	1.4
163.07716	1.5
187.11241	1.4
189.12740	1.3
203.14305	1.5
205.15958	5.1
219.17516	1.5
230.56287	1.0
231.13876	3.4
233.15456	3.2
243.17520	4.0
261.18613	23.8
261.22812	1.2
262.18948	2.5
275.09238	2.6
341.24979	5.4
367.22626	1.2
385.23907	9.1
386.23950	1.2
401.23267	6.6
429.22754	100.0
429.32233	3.7
430.23041	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00627	0.5
58.12164	0.4
59.01379	100.0
60.01712	1.3
60.20517	0.4
61.98837	1.3
69.28689	4.3
71.01383	7.6
72.99301	0.5
73.02962	1.0
85.02960	1.5
87.00881	0.7
89.02443	10.8
93.03484	0.7
101.02448	4.2
102.98618	0.7
106.21845	0.5
108.47020	0.5
113.02437	3.0
114.51345	0.5
117.41845	0.4
118.98087	0.6
119.03479	3.9
121.06585	0.7
123.89291	0.4
125.02477	0.7
131.03519	0.6
137.02440	0.8
143.03592	0.8
149.04588	0.6
161.04590	1.3
165.38680	0.4
167.01677	0.5
179.05635	2.4
297.13562	0.6
429.21542	1.4
430.18054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03437	1.5
58.00598	1.0
59.01381	100.0
60.01725	1.2
61.81227	0.6
61.98834	2.2
69.03461	0.9
69.51457	4.0
71.01381	24.8
72.99323	1.8
73.02959	2.6
73.49695	0.5
75.00871	0.6
83.01401	1.8
85.02956	6.0
87.00879	1.7
89.02444	28.5
90.02766	0.7
95.01385	1.2
97.02964	0.6
99.00919	1.4
99.04529	1.4
101.02445	14.7
101.03075	1.0
102.98614	1.9
113.02466	9.1
117.05649	0.9
119.03510	8.2
119.04330	0.8
121.06622	0.7
123.04513	6.4
125.02479	1.9
131.03511	1.1
143.03514	2.7
149.04593	0.6
159.03008	0.7
161.04573	5.7
166.02699	0.7
179.05591	5.6
185.26842	0.5
205.12415	1.7
207.33441	0.5
209.43449	0.6
249.11462	1.2
251.16681	0.5
267.16223	0.7
297.13440	3.2
314.60269	0.6
329.08871	0.9
369.19244	2.1
429.17319	4.3
430.18011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03453	0.5
58.00594	1.0
59.01385	100.0
60.01723	1.1
60.95606	0.4
61.98843	0.4
65.13863	0.4
69.35304	0.9
69.35720	2.5
71.01389	18.2
72.99335	0.9
73.02962	3.6
75.00874	0.6
78.18163	0.4
83.01408	1.7
85.02959	4.6
87.00902	0.9
89.02451	18.2
90.02795	0.4
95.01378	0.7
97.02977	0.6
98.20691	0.7
99.00895	1.5
101.02453	12.4
113.02451	7.0
114.02844	0.4
115.04034	0.7
119.03508	6.0
125.02447	0.8
125.50560	0.4
131.03535	1.4
143.03531	1.8
149.04567	1.4
159.03012	0.7
161.04555	5.8
162.04929	0.5
175.37170	0.4
179.05635	2.7
211.16075	0.4
233.06950	0.5
234.06491	0.4
236.66730	0.4
297.13422	8.3
298.13928	0.6
303.08960	0.4
425.57825	0.4
429.17462	5.7
430.17926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.2
59.01386	100.0
60.01712	1.0
61.98841	1.1
69.61736	3.4
71.01390	14.6
71.01762	0.9
72.99320	1.0
73.02950	0.8
83.01400	0.9
85.02960	2.2
87.00900	1.1
89.02458	21.2
90.02780	0.5
95.01417	0.9
98.20633	1.0
101.02452	7.4
112.45379	0.5
113.02453	6.9
119.03513	8.2
131.03560	1.3
143.03551	1.4
149.04552	0.9
161.04594	1.9
179.05640	4.4
188.45969	0.5
267.16272	0.6
315.46033	0.5
429.21796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Hierapolitanin D
Peak:m/z	Relative Intensity
51.04739	0.4
55.01880	1.9
56.36867	0.4
57.03450	3.5
58.00587	1.0
59.01095	0.9
59.01382	15.0
61.98825	0.9
69.54214	0.8
69.54621	2.5
71.01387	14.5
72.99314	1.5
73.02946	5.8
75.00816	0.4
83.01392	4.6
83.05064	0.5
85.02955	8.7
86.00100	1.0
87.00874	1.2
89.02453	4.0
93.03468	0.8
95.01397	1.1
97.02946	1.0
99.00891	1.9
99.04516	1.3
101.02445	11.3
101.03082	0.8
102.98617	1.0
107.04995	0.4
108.02196	1.1
109.02948	0.9
111.00889	0.5
113.02456	4.7
118.92165	0.4
119.03441	0.5
121.02946	2.4
123.04520	10.2
124.01701	0.4
125.02419	2.9
131.03479	0.5
134.03706	0.8
135.02756	2.1
145.05070	0.8
149.04517	1.3
151.03992	0.6
152.01129	0.6
160.01607	0.5
161.02437	0.5
161.04555	1.1
165.05602	0.5
175.03949	0.7
179.01698	2.4
187.11119	0.5
203.14394	1.7
205.12323	0.8
205.15952	0.4
221.15453	1.6
225.07620	1.1
243.73756	0.4
249.14917	0.6
267.16006	39.7
268.16351	4.8
285.04044	1.4
298.04721	0.6
309.03769	0.6
385.35406	0.5
429.21286	100.0
430.08752	0.6
430.21597	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41253	0.7
61.50201	0.9
69.71514	5.2
347.33206	1.7
355.32074	1.9
365.34232	20.3
366.34518	4.1
381.33746	30.4
382.34106	4.3
409.33459	1.3
427.24780	4.5
427.34265	100.0
428.34607	19.1
449.60370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	1.9
61.43862	2.0
71.61611	1.7
71.62563	2.6
71.62945	1.8
72.99290	2.0
103.73557	1.7
199.00194	2.0
254.92958	1.9
383.35306	63.2
384.35883	8.2
409.33221	4.4
427.34244	100.0
428.34604	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	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36274	0.1
59.01375	0.3
66.66596	0.1
69.36915	1.3
71.01350	0.2
97.93082	0.2
99.00835	0.2
99.92580	5.3
100.92643	0.4
100.93356	4.6
101.93391	0.3
102.38870	0.1
113.92668	0.1
115.79214	0.1
115.92075	100.0
116.92080	6.1
116.92863	5.9
117.92723	0.2
120.91176	0.1
132.92336	1.1
139.64600	0.1
142.94408	0.3
155.95181	0.2
156.90062	0.1
172.95461	4.8
173.95499	0.3
255.23291	0.8
256.23715	0.2
258.35797	0.1
355.15909	0.6
356.16138	0.2
368.32635	0.2
371.15073	0.2
381.17578	0.8
382.17407	0.2
428.34695	0.3
429.19492	3.7
429.35010	0.3
430.19669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01855	1.9
56.91665	0.7
57.03454	6.5
59.01381	100.0
61.98830	1.6
69.44875	1.6
69.45284	4.2
71.01385	16.8
72.99290	0.8
73.02946	5.5
78.30150	0.8
81.03465	1.3
83.01387	3.3
85.02952	7.8
89.02454	5.2
95.01381	1.2
95.05022	0.9
99.00909	2.0
101.02446	12.8
113.02465	7.4
119.03526	1.8
121.01716	0.8
123.04529	5.8
135.00853	1.1
137.02431	0.8
143.03448	1.0
153.01933	1.2
155.30751	0.8
161.04543	9.0
163.03970	1.0
167.03497	15.0
185.04099	0.9
191.03551	5.2
192.11580	2.2
206.87166	0.9
207.13895	22.0
208.14078	1.4
209.04488	1.2
227.03500	2.1
249.14980	1.4
255.03035	1.9
267.15915	1.1
284.03180	1.7
285.04007	1.6
310.21094	0.9
343.25015	0.8
429.08545	3.1
429.21265	56.9
430.21671	7.4
431.62173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02728	2.0
59.01382	100.0
59.01680	5.4
60.01718	3.7
61.98822	3.6
69.36707	21.9
83.05041	2.8
88.30263	2.1
95.05006	2.2
97.65877	2.0
108.01102	2.0
112.88226	2.0
125.09785	2.4
148.05272	2.1
157.08763	3.0
175.87210	2.8
183.04382	2.6
187.11240	4.3
204.09721	2.2
219.77161	2.9
227.10847	2.8
247.13406	10.5
287.43094	2.5
293.21176	2.5
338.15036	2.7
353.17606	7.7
354.17896	2.6
383.22147	6.2
427.21106	7.9
427.25790	3.5
427.30530	10.5
428.21481	3.2
435.14691	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	427.3065
Annotation	oscr#31
Peak:m/z	Relative Intensity
53.64072	1.0
57.18292	0.9
58.14491	1.0
59.01384	2.4
77.68791	0.8
98.00106	1.8
98.20618	2.6
131.14757	1.0
319.29895	1.3
321.31622	54.7
322.28668	1.0
322.31937	6.8
337.31033	7.9
339.32654	1.4
365.30655	31.1
366.30948	4.0
383.31647	9.8
409.24026	1.5
409.29593	46.8
410.30096	8.9
427.30591	100.0
428.30954	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	1.8
59.01387	32.8
60.01713	1.1
61.98822	1.5
69.29610	6.8
69.30027	2.1
71.33037	0.7
75.00871	1.5
97.18333	0.9
98.20747	1.4
113.92637	8.8
147.02945	1.0
163.82094	0.9
191.82547	0.9
231.01552	1.0
279.23242	3.1
347.33157	3.4
365.34213	29.5
366.34598	5.0
367.32175	59.9
368.32617	10.6
383.35593	1.1
409.33258	10.0
410.33557	1.5
427.34268	100.0
428.34628	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99273	1.0
57.03445	1.9
59.01384	100.0
60.01715	1.3
61.05627	1.1
61.98819	3.0
69.39472	10.7
70.12266	1.1
71.05028	1.9
75.00860	1.2
83.05019	8.3
95.04996	1.2
97.06575	1.8
98.20614	2.1
106.76966	1.4
113.09725	1.5
121.02951	22.3
123.04517	5.4
125.09721	2.9
133.10204	2.5
135.04492	1.3
135.08156	1.2
141.09238	1.7
148.05348	1.5
149.06082	6.5
157.08694	3.6
159.10278	14.0
161.06133	2.1
164.04799	29.3
165.05603	12.0
173.11911	1.5
179.07121	7.5
181.86688	1.3
185.13321	1.9
203.14424	14.2
216.73863	1.3
247.13417	18.0
248.13875	1.7
252.03790	1.1
268.29904	1.2
285.20889	9.7
291.08755	1.4
337.92947	1.4
383.22049	2.9
427.20432	8.5
427.25827	2.9
427.30371	13.2
428.21240	1.5
428.30881	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.4
59.01380	57.7
70.03598	2.8
70.04015	5.0
71.01385	42.4
72.99311	4.2
83.05010	2.3
85.02950	4.3
89.02451	71.2
98.19862	1.6
101.02438	3.7
113.02457	5.1
131.02530	1.2
131.03511	7.3
149.04588	6.2
164.16757	1.2
167.78494	1.3
221.96606	1.3
225.42227	1.4
277.21725	100.0
278.22134	12.8
391.23053	1.5
427.30215	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	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03452	1.6
59.01379	62.0
60.01725	1.5
61.61187	1.3
61.98830	4.8
69.68539	8.7
71.01382	26.6
72.10541	1.4
72.87183	1.5
72.99305	1.8
73.02947	14.8
83.01393	11.1
85.02944	13.5
87.00868	2.0
89.02453	4.6
95.01331	1.8
98.20621	1.7
99.00890	5.4
101.02443	31.2
113.02448	11.1
122.62476	1.4
143.03526	2.2
159.02989	3.0
161.04576	13.5
221.10292	73.6
222.10658	4.8
345.07806	1.3
365.70895	1.4
367.16052	100.0
368.16501	12.5
369.31595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16659	0.8
59.01384	100.0
60.01716	2.3
61.98827	2.8
71.62914	0.8
91.04021	2.2
95.01373	1.1
95.05032	2.9
97.06606	7.8
137.02498	1.6
139.00371	2.3
142.14021	0.9
142.23865	0.8
148.05209	1.5
149.02383	1.4
151.07582	0.9
152.01154	28.8
159.06606	2.4
161.06000	2.0
161.09624	1.0
163.04030	4.8
163.07735	1.0
164.04784	2.4
165.01895	2.9
167.03508	21.4
168.03880	0.9
171.10362	1.2
178.06360	1.5
179.07428	1.0
180.04330	3.4
195.06635	4.1
207.06619	1.4
231.10359	1.0
275.20175	2.0
285.20724	2.2
293.21259	9.8
311.22339	1.3
339.23325	1.2
409.20395	1.3
427.17560	8.4
427.21692	4.4
427.26721	6.4
428.17477	2.0
428.26971	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.8
59.01382	100.0
61.98825	2.7
69.03461	3.2
70.46709	5.3
71.01398	1.7
78.34526	1.3
81.64055	1.3
83.05020	3.4
91.04031	4.0
97.06592	4.3
104.09328	1.4
121.06605	3.5
123.00837	1.4
123.08149	1.6
125.09817	1.3
135.04510	3.0
139.00349	2.7
149.06081	1.6
151.00391	2.8
152.01158	5.1
165.01920	4.1
167.03488	4.3
169.85417	1.6
173.09869	1.7
180.04269	4.1
189.09157	2.7
191.67690	1.6
195.06619	5.7
231.10110	1.6
249.14932	1.6
293.21198	11.2
294.21671	2.6
313.23779	1.9
352.32025	1.5
383.22198	4.0
427.16623	2.5
427.21674	20.9
427.26242	2.7
427.30859	3.3
428.21677	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	427.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29864	0.4
57.03454	0.5
58.57698	0.4
59.01387	3.8
61.98845	1.6
69.03452	0.9
69.37988	3.4
69.38406	1.0
69.87788	0.6
73.02937	0.4
76.47092	0.5
78.49247	0.6
80.28542	0.5
83.05061	0.8
90.80872	0.4
93.03450	0.6
94.79678	0.6
109.02978	1.0
110.03726	0.7
111.08195	1.5
121.06599	0.9
123.00905	1.9
125.09772	0.9
135.04567	0.8
137.02444	11.8
138.03210	2.1
139.00386	0.9
149.06126	0.7
151.03996	0.6
152.01134	2.5
153.05602	1.7
165.01932	62.2
166.02304	3.1
167.03494	2.0
179.03513	1.1
179.07135	1.1
180.00969	0.7
180.04283	86.9
181.04645	5.3
195.06619	100.0
196.06961	5.6
203.10809	0.9
217.12332	0.5
231.10274	12.0
232.10567	1.2
271.13370	0.6
383.22116	0.7
427.16867	14.9
427.22018	2.0
427.31085	0.8
428.17194	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	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14570	0.9
57.03462	2.3
59.01381	11.2
61.49287	1.0
61.98840	8.3
62.40981	0.9
65.08498	0.9
69.03442	3.9
69.69721	2.4
69.70135	2.8
71.01382	6.1
72.99287	1.1
73.02939	1.4
73.42312	0.9
75.33068	0.8
81.03454	1.0
83.01404	1.7
85.02947	2.6
87.00857	1.6
89.02443	2.5
95.01366	2.1
97.02911	2.7
99.04504	1.2
101.02439	2.1
106.06638	1.2
109.02965	1.6
113.02450	1.9
113.06098	2.7
120.04468	0.8
120.99650	11.1
121.02921	1.1
121.06579	4.2
123.00893	6.2
123.04575	1.4
124.01671	20.0
125.02451	57.9
126.02800	2.7
132.23064	0.9
137.02454	1.9
149.99585	34.1
150.05641	1.2
151.00227	2.8
168.00636	60.7
169.01364	5.3
178.58032	0.9
179.10764	2.8
209.98367	0.8
241.04916	1.0
250.13092	1.0
253.59697	0.9
265.14487	6.3
266.14938	1.1
285.04001	3.0
328.43414	0.9
409.11417	3.6
427.12415	100.0
427.19199	3.3
428.12653	14.3
450.80707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43464	0.5
57.03460	0.6
59.01376	5.7
59.01621	0.4
61.98846	2.4
69.61919	3.5
71.64171	0.5
78.44838	0.6
83.05045	1.1
91.89707	0.5
97.06584	0.5
109.02934	0.6
121.02985	3.2
121.06609	1.1
123.00872	3.6
124.01674	2.1
135.04491	0.6
149.06067	0.6
151.00375	13.1
152.01152	100.0
153.01463	5.4
163.03896	0.7
165.01913	0.9
166.02716	9.4
167.03496	81.9
168.03839	4.7
179.03494	0.7
179.07144	0.8
180.04128	0.7
195.06615	0.9
202.09860	0.5
207.06625	0.6
298.74258	0.6
313.06906	0.8
349.84302	0.6
383.22379	1.1
412.14822	0.6
427.17349	44.1
428.17331	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	427.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97088	1.0
59.01376	6.6
60.55631	1.0
61.98827	6.0
71.01373	1.2
71.62803	1.3
71.63194	1.1
72.15433	1.0
83.05023	1.1
85.02983	1.5
90.13873	1.0
93.03416	1.1
109.02982	1.3
113.06081	2.2
118.89996	1.1
119.05064	1.0
120.44115	0.9
121.02988	1.1
135.04558	2.1
137.02438	11.1
138.03227	2.9
144.11156	1.0
147.04533	1.7
148.05231	1.6
149.02408	1.2
149.06079	47.6
150.06393	3.3
151.04111	1.2
153.05571	1.7
161.06110	1.0
165.01932	65.6
165.09158	1.2
166.02261	3.5
177.09100	1.4
179.03325	1.2
180.04280	82.6
181.04630	4.8
189.09297	1.3
190.03583	1.0
195.06619	100.0
196.06950	7.3
201.09285	1.3
217.08154	1.0
231.10286	10.4
232.10670	1.2
347.08850	1.2
409.20306	1.3
427.21994	8.8
427.26395	1.9
428.21521	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	426.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03441	1.5
57.33140	0.5
57.40384	0.5
58.00597	1.2
59.01386	24.6
60.01718	0.6
61.31753	0.6
61.98827	3.6
63.54250	0.5
71.01391	15.5
71.63080	0.5
72.99301	2.1
73.02943	1.6
75.00891	0.9
81.03466	0.7
82.06603	0.6
83.01392	2.0
83.46303	0.5
85.02963	5.2
86.06126	24.9
87.00887	1.6
89.02453	7.4
91.05526	0.8
93.03465	1.1
94.74054	0.6
95.01398	1.8
96.91598	0.5
99.00889	1.4
101.02443	8.7
109.02908	0.7
110.06139	3.1
113.02460	5.0
116.07172	1.8
118.06587	0.8
119.03519	1.5
123.04535	0.7
125.02461	2.5
135.00925	1.2
135.04507	1.0
137.02426	1.0
143.03461	0.8
147.04526	7.9
161.04567	1.3
164.07162	4.8
172.11314	0.8
175.11295	0.6
176.03461	0.5
202.12315	3.6
210.70418	0.5
220.13440	1.6
229.05058	1.5
234.11316	2.9
235.11696	0.6
246.11336	5.5
264.12521	1.2
274.14371	0.8
289.07104	0.9
344.07849	0.6
391.10446	1.1
408.16672	0.8
426.17722	100.0
427.18179	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	426.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03442	2.7
58.00589	2.4
59.01097	1.5
59.01384	29.4
61.98833	13.8
64.66971	0.8
69.86495	0.7
71.01389	20.1
71.05024	5.9
71.63113	1.0
72.00900	1.6
72.83441	0.7
72.99304	1.8
73.02957	4.7
78.95922	0.9
83.01387	4.5
85.02947	8.0
87.00873	2.2
89.02448	12.5
91.05536	2.7
93.03452	1.0
95.01393	1.8
97.02934	1.3
97.53278	0.7
99.00865	1.3
99.04522	1.1
101.02451	16.0
102.98618	1.3
103.04002	1.7
109.02903	1.2
113.02470	4.7
116.07188	49.7
117.03420	0.8
117.07476	1.3
118.06612	2.9
119.03501	2.8
119.05032	13.7
123.04500	1.3
125.02459	5.6
135.04506	1.1
136.65558	0.8
137.02455	1.9
147.04527	8.5
151.04010	1.7
159.02928	0.9
161.04529	1.7
163.06102	0.8
164.07178	15.4
165.07552	0.9
175.03967	0.8
187.51062	0.8
203.14470	0.9
220.13429	12.1
244.06398	0.9
246.11629	1.0
247.13510	1.8
264.12463	3.2
265.14249	0.9
289.07178	2.7
301.07065	1.4
396.17612	1.3
426.17673	100.0
427.18646	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11287	10.6
59.01381	31.1
62.92507	11.0
66.25519	14.2
69.43990	100.0
71.21231	12.4
72.18403	10.6
98.20570	24.5
99.93447	10.2
105.71046	12.1
108.02120	16.5
109.03006	13.6
121.03011	18.0
123.04491	32.3
134.03743	44.0
135.04518	17.3
142.93747	11.2
147.04503	18.3
148.05298	46.1
149.06061	61.0
152.99487	12.3
163.04010	37.3
163.07684	22.9
178.06319	23.4
190.44930	13.8
199.81161	11.5
203.07094	21.6
229.54959	12.5
231.10172	16.6
237.09210	15.2
245.11899	23.0
251.10715	28.6
252.11552	15.1
252.15511	12.6
277.64752	14.8
285.04407	12.9
295.59192	11.7
296.10406	15.2
311.12854	67.2
322.15720	35.2
337.18179	23.3
379.19305	29.6
381.16803	31.7
425.19327	87.8
425.29291	21.5
426.19879	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	425.1973
Annotation	Andibenin B
Peak:m/z	Relative Intensity
59.01379	5.3
61.98830	5.4
78.95916	3.9
79.05460	1.6
83.05022	2.1
111.04545	1.5
117.03453	3.6
121.02954	3.5
123.04543	3.5
134.03754	49.9
135.04507	3.4
147.04491	1.6
148.05373	1.7
149.06079	7.6
151.07620	1.7
161.06062	4.8
163.04042	1.4
179.47351	1.5
193.05035	10.4
195.89487	1.5
212.20241	1.7
216.63562	1.6
322.19333	4.3
331.17065	2.1
333.14899	9.6
337.21667	2.9
345.18640	3.3
347.16562	3.3
348.17368	3.8
359.86490	1.6
363.19675	24.6
364.20108	3.8
381.20691	13.0
382.21378	1.9
386.05911	1.5
407.18613	14.1
408.19019	4.1
425.19717	100.0
426.20096	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95736	1.4
59.01380	7.4
61.98838	2.3
68.99812	4.3
71.01386	36.2
71.63718	2.7
71.64083	1.7
73.02932	1.4
75.00870	5.4
81.03442	1.9
82.94041	1.6
83.05016	3.2
83.63471	1.6
85.02932	2.2
86.02489	3.7
86.06935	1.3
87.00908	2.4
89.02448	6.3
99.00885	28.1
101.02449	19.3
117.01927	2.5
119.03494	5.3
121.82709	1.3
129.01942	3.6
147.03003	100.0
148.03340	4.1
163.11293	11.5
165.03911	1.4
171.82874	1.6
191.10739	6.0
231.13876	1.6
239.97108	1.7
262.61905	1.5
277.21719	90.2
278.22031	12.5
338.22147	9.0
367.22885	2.7
386.04422	1.7
425.25320	23.6
426.25986	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	425.1952
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
57.03429	6.3
59.01371	20.8
61.98830	31.5
66.84665	4.2
67.54186	4.4
69.68761	34.7
71.01377	9.7
83.05034	7.4
86.88436	5.0
89.02480	6.7
96.46098	4.6
98.19888	10.9
101.02467	8.4
125.75787	4.8
137.02411	8.1
143.10815	5.2
199.53851	5.3
209.32787	5.4
219.13902	5.8
227.07091	23.3
263.12872	28.0
273.79263	5.8
294.12411	6.1
333.11282	5.1
425.13913	8.8
425.19391	100.0
425.25095	5.6
426.19711	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.3
59.01371	20.8
61.98830	31.5
66.84665	4.2
67.54186	4.4
69.68761	34.7
71.01377	9.7
83.05034	7.4
86.88436	5.0
89.02480	6.7
96.46098	4.6
98.19888	10.9
101.02467	8.4
125.75787	4.8
137.02411	8.1
143.10815	5.2
199.53851	5.3
209.32787	5.4
219.13902	5.8
227.07091	23.3
263.12872	28.0
273.79263	5.8
294.12411	6.1
333.11282	5.1
425.13913	8.8
425.19391	100.0
425.25095	5.6
426.19711	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.197
Annotation	andilesin D
Peak:m/z	Relative Intensity
59.01376	3.7
61.98825	3.4
63.76204	0.8
69.03443	1.2
71.18801	2.1
71.69215	0.7
83.05049	4.4
83.05458	0.8
91.69234	0.8
96.95972	1.0
108.02177	2.0
109.02956	2.1
117.03456	3.8
119.05100	0.9
119.08631	1.6
121.02952	1.5
122.03717	1.0
123.04549	2.1
133.02953	2.1
134.03746	45.9
135.04448	3.4
136.01643	5.8
147.04507	2.8
148.05284	2.1
149.06081	21.7
150.06459	2.2
151.04019	8.5
159.04482	0.9
161.06180	1.3
163.03961	2.5
165.05540	1.5
173.06007	1.5
178.06415	1.3
179.14377	1.3
186.03214	2.6
187.03937	3.4
187.07605	2.6
188.04651	1.0
193.05063	12.7
201.05553	5.4
202.06267	2.2
214.06389	1.8
215.07079	2.5
253.12260	1.7
353.17392	1.2
366.18558	2.3
381.20654	6.4
381.24887	1.0
412.92142	1.0
425.19708	100.0
426.20087	18.9
426.25482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.9
59.01389	36.6
60.97688	7.5
69.30753	60.1
71.01386	60.5
73.02938	20.0
75.24652	6.3
83.01377	19.9
85.02947	22.3
88.92114	6.7
89.02447	14.4
99.00806	7.1
101.02449	39.2
109.02951	30.7
109.75477	6.8
113.02438	20.5
123.04524	12.4
125.02455	54.7
137.02438	77.8
137.54166	6.7
138.02750	6.5
151.03995	28.6
155.01764	6.3
161.02452	12.1
161.04527	19.1
161.05856	6.5
162.05023	6.3
163.04021	6.4
175.03963	25.4
175.05333	6.5
177.01926	14.3
187.03960	15.4
215.03217	6.6
229.05109	9.1
255.02896	14.0
256.03699	12.7
263.14984	28.9
273.03986	15.1
281.04434	8.6
407.07721	100.0
408.08157	17.9
425.08685	14.0
425.19666	81.5
426.19470	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	425.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71916	14.1
56.14969	11.3
59.01382	99.2
61.98823	31.2
63.02593	11.4
66.29248	14.2
69.67085	57.6
71.01392	25.4
73.02943	14.8
85.66930	13.7
89.02431	23.8
98.20641	18.6
101.02439	22.8
137.02437	44.1
151.04051	15.1
157.37973	17.4
164.89951	17.2
282.31656	13.1
310.57858	15.4
343.42432	15.5
361.15753	15.9
365.21844	41.8
400.54889	16.6
425.19687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1949
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
56.95081	12.3
57.60832	13.0
59.01382	50.8
69.50745	100.0
71.01372	25.1
78.95897	12.7
83.01334	13.8
89.02445	14.7
98.06235	12.9
112.71999	12.6
119.05031	15.6
120.99648	18.9
137.02425	14.0
151.49796	16.4
219.13878	44.5
267.69174	12.4
346.33395	13.0
425.19400	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	425.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37991	12.3
59.01384	82.9
59.59593	12.1
61.98838	56.3
66.28316	11.0
69.31027	100.0
69.31445	25.8
69.88127	12.5
71.01379	40.3
73.02943	10.9
75.00870	14.9
85.02950	19.4
89.02431	27.2
101.02469	36.7
109.02938	14.0
111.84863	13.0
113.02434	17.2
125.02444	48.8
132.63802	11.9
135.02994	38.8
136.07695	28.9
137.02438	67.3
150.09270	11.7
151.04021	29.6
161.02435	34.7
161.04564	16.4
174.01756	66.8
175.03946	21.8
176.10802	23.6
187.04042	27.9
224.12511	11.6
243.11357	99.5
255.02995	16.8
261.12433	37.8
273.04086	21.6
282.52390	12.4
289.06973	14.3
305.11392	99.8
339.16370	12.5
407.07867	88.8
425.08810	14.6
425.17941	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	425.1816
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
50.76667	2.9
53.32736	3.1
53.36033	3.9
59.01368	17.9
61.98852	5.9
71.01381	13.3
83.01387	4.3
85.02923	6.2
89.02467	3.3
97.02954	7.9
98.20642	7.4
101.02441	3.1
108.05820	7.8
109.02921	6.9
111.04528	9.3
113.02442	5.8
113.06076	12.4
119.05030	41.8
122.03726	8.9
123.08169	11.8
125.02444	3.9
125.06097	17.6
136.05287	12.4
137.06059	6.2
138.06889	9.7
139.07648	35.7
139.66910	3.6
141.10315	3.3
148.05296	7.4
149.06062	6.0
151.07652	69.9
152.04767	5.4
152.08426	35.8
152.96512	3.0
153.09181	15.2
163.04016	27.2
163.07610	9.2
188.08415	4.5
189.09106	4.5
201.12830	25.2
203.10757	11.4
204.11534	43.2
219.13885	72.0
220.14201	5.1
243.13892	6.9
245.11728	9.2
263.12875	100.0
264.13147	8.8
267.38925	3.2
287.12790	10.2
303.18176	3.3
306.06003	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	425.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41743	1.1
57.03449	64.9
57.47167	1.0
58.00603	1.9
59.01379	100.0
61.98836	27.5
62.68803	1.1
68.62096	1.2
69.42576	10.4
71.01385	41.1
72.99300	2.9
73.02953	9.5
73.47598	1.3
74.99091	1.4
75.00877	2.0
78.95918	1.5
81.03462	1.5
83.01357	7.5
83.05054	1.2
85.02967	8.6
87.00883	2.8
87.04484	1.5
89.02448	35.4
93.84298	1.3
95.01379	2.2
95.55910	1.2
97.02962	2.1
98.02503	1.5
99.00906	2.0
99.04522	53.6
100.04843	1.3
101.02448	38.0
107.05057	2.6
109.02965	12.4
111.00950	1.4
112.00442	8.2
113.02454	18.9
118.02989	1.3
119.03509	13.5
119.07108	3.0
121.02947	1.8
123.04507	6.1
125.02449	39.4
126.02672	1.4
131.03537	1.5
131.05037	1.3
133.02946	2.2
136.99187	1.5
137.02446	14.0
143.03499	5.7
149.02487	2.1
151.04019	10.8
161.02428	1.9
161.04573	8.3
163.04007	2.8
175.03979	11.2
177.01909	5.9
179.05591	7.0
187.04004	6.1
205.04941	1.7
214.02650	1.2
215.03471	2.0
217.05008	1.4
229.05043	3.2
230.05800	1.3
231.06766	1.3
243.02954	2.9
255.02913	11.2
256.03583	6.4
257.04291	1.4
263.11417	10.0
273.04092	5.7
281.04465	4.0
281.09305	2.5
281.12430	41.7
282.12814	3.9
283.02579	1.7
285.03986	3.0
286.17548	1.4
287.05811	1.4
323.13434	12.9
339.08719	5.1
363.16809	2.0
365.18301	10.6
381.09705	1.9
407.07690	39.7
408.08041	5.8
425.08722	4.1
425.16312	12.3
426.16986	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	95.8
58.00584	1.5
58.03785	2.4
59.01383	99.6
61.98836	17.6
69.54563	13.3
71.01386	53.7
72.99312	2.0
73.02943	15.1
75.00855	2.9
81.03458	3.2
83.01392	6.9
85.02966	18.6
87.00890	3.4
87.04516	2.1
89.02454	29.1
95.01381	3.0
99.00877	4.3
99.04526	57.0
101.02451	56.4
109.02950	6.1
112.00443	2.5
113.02456	19.7
115.04020	2.0
117.05592	1.8
119.03498	11.2
119.07140	9.8
121.02916	2.4
123.04519	5.4
125.02454	45.2
129.01874	1.6
131.05087	2.3
137.02449	10.7
143.03514	5.3
149.02507	2.9
151.03987	7.5
159.03001	3.9
161.02444	2.7
161.04611	22.1
161.08195	2.4
163.03975	3.4
175.03995	8.7
177.01956	2.9
179.05629	6.3
187.04019	4.6
191.03561	2.5
203.12846	5.2
218.41660	1.9
227.03401	2.1
229.05072	3.3
255.02995	6.3
256.03714	5.0
263.11386	26.1
273.04129	4.9
281.04453	3.4
281.12439	100.0
282.12607	8.1
294.84048	1.8
323.13412	20.6
324.13986	2.5
339.08771	3.6
363.16907	2.4
365.18140	12.8
366.18552	2.6
381.09827	2.4
407.07748	31.2
408.07898	4.2
425.08823	4.8
425.16675	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03444	3.4
59.01381	14.4
61.98829	4.9
65.00317	0.9
65.03955	1.9
67.01884	0.8
69.03446	1.0
69.55255	2.2
71.01381	8.6
72.00903	0.7
72.05269	0.3
72.99293	0.6
73.02945	3.0
75.00871	0.9
78.95905	0.5
81.03462	1.1
82.00379	0.3
83.01387	8.0
83.05016	1.2
83.19829	0.3
85.02947	4.1
87.00883	0.9
89.02447	3.7
89.03960	1.3
91.01896	0.7
93.03449	1.6
95.01382	0.7
95.05018	1.4
97.02974	2.7
99.00888	1.6
99.04497	0.4
99.98630	0.6
100.00401	2.6
101.01769	0.4
101.02440	8.2
103.05502	0.4
105.03445	0.8
107.04372	0.4
107.05038	5.8
108.02174	1.4
109.02953	20.5
110.03258	0.8
111.00859	0.7
113.02443	3.5
117.03453	0.5
118.02940	0.3
119.03487	1.0
119.05010	1.1
120.99644	0.6
121.02967	2.5
121.06560	0.6
122.03716	1.1
123.00838	0.6
123.04527	14.6
124.01649	1.1
124.04841	0.7
125.02446	19.9
126.02795	0.6
130.04240	0.6
131.03473	0.4
131.05023	2.6
133.02965	4.6
134.03714	0.8
134.58855	0.3
135.00902	0.5
135.04546	2.1
136.01646	0.8
137.02444	21.1
138.02745	0.7
139.04022	1.3
143.03493	0.7
143.04997	1.4
144.03012	2.5
145.02933	1.4
145.06581	1.0
146.03752	0.5
147.04527	1.4
149.02451	6.3
149.06023	1.0
150.03181	1.4
151.04008	28.4
152.04379	1.4
153.01918	0.3
155.04904	0.4
157.06505	0.6
158.03658	0.7
159.03110	0.6
159.04491	3.4
160.05212	0.5
161.02470	5.6
161.04533	5.2
161.06046	2.1
162.03113	0.8
163.00375	0.4
163.04005	5.9
163.06123	0.4
163.07559	0.3
164.01073	0.7
164.04437	0.4
165.01927	0.5
167.03468	0.3
168.44835	0.3
169.06595	0.4
171.04510	0.8
172.05103	0.3
173.02406	0.4
173.06061	1.0
174.01648	1.4
174.03194	0.8
175.04002	23.1
176.04379	1.8
177.01929	13.3
177.05510	1.1
178.02319	1.1
183.04512	0.7
185.06088	1.5
187.04004	12.9
187.07587	0.6
188.04657	2.1
189.01883	1.4
189.05559	2.3
190.02682	0.7
191.03444	1.1
193.05045	3.3
197.06070	0.4
198.03262	0.6
199.03992	2.4
200.04620	0.3
201.01898	0.6
201.05516	2.0
203.03505	2.1
203.07097	1.2
204.04196	1.0
205.05064	4.7
206.05527	0.3
207.06609	1.4
211.04042	4.2
212.04665	0.9
213.01801	0.5
213.05580	3.8
214.02664	1.6
215.03499	5.4
216.04082	0.4
217.01421	0.5
217.05045	3.8
219.02936	1.2
225.05553	0.8
227.03513	3.4
227.07124	0.4
228.04266	2.7
229.01538	0.4
229.05040	9.7
229.08542	0.5
230.05615	1.2
231.03015	2.0
231.06563	1.9
233.04501	0.4
237.05602	0.9
238.06508	0.3
241.05031	0.5
242.02138	0.6
243.00662	0.5
243.02945	4.3
243.06589	0.5
245.04483	0.6
247.06126	1.0
253.05058	2.5
253.08759	0.5
254.05432	0.4
255.02974	21.6
255.06386	0.9
256.03711	11.4
256.06448	0.6
257.04486	5.3
258.04807	0.7
259.05911	0.4
261.03854	0.4
269.04514	1.9
271.09753	0.5
271.14529	0.3
273.04037	12.3
273.07047	0.6
274.04565	1.9
279.06628	0.4
279.14435	1.7
280.03867	0.4
281.04544	8.2
282.01605	1.2
282.04858	1.1
283.02472	3.6
284.03015	1.1
285.04041	5.1
286.04358	0.4
287.05536	1.2
288.02881	1.9
293.16052	8.9
294.16446	0.6
295.09811	0.4
297.03998	1.7
297.07642	2.2
298.04608	0.6
299.05505	1.7
315.08804	1.9
321.07559	1.1
339.08707	14.5
340.09116	1.5
341.06757	1.6
357.09677	1.2
358.10211	0.3
363.08783	0.7
365.18195	2.8
381.09738	6.8
382.10110	0.8
383.07602	0.5
389.06500	1.4
407.07693	100.0
408.08011	16.2
425.08881	11.6
425.15482	0.4
425.20309	4.8
426.09088	2.2
426.20953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0879
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03521	1.9
58.09615	0.3
59.01454	2.1
61.98910	1.5
65.00063	0.4
65.00397	0.8
65.04041	1.5
67.01973	1.0
69.03542	1.0
71.01468	2.6
71.10064	0.3
72.00977	0.6
73.02682	0.3
73.03036	1.0
81.03551	0.7
83.00957	0.4
83.01484	6.5
83.05123	1.1
84.60725	0.3
85.02592	0.3
85.03043	1.1
87.00948	0.4
89.02544	0.9
89.04071	1.1
91.01984	1.0
91.05617	0.2
93.03473	1.4
95.01460	0.6
95.04578	0.3
95.05139	0.9
97.03066	1.9
99.79518	0.2
100.00405	3.4
100.04155	0.3
101.02444	2.8
103.05631	0.4
105.03569	0.8
107.05036	6.0
108.02184	1.6
109.02251	0.8
109.02961	19.4
110.03375	0.6
110.69560	0.2
113.02548	0.8
117.03580	0.8
118.03128	1.0
119.03615	0.4
119.05119	0.9
121.02941	2.4
121.06694	0.5
122.03853	1.1
123.01031	0.4
123.03706	0.5
123.04531	13.0
124.01721	0.6
124.04958	0.7
125.02454	15.8
126.02869	0.6
130.04338	0.6
131.05049	2.7
133.02965	4.4
133.06691	0.5
135.01012	0.7
135.04539	1.8
136.01767	1.0
137.02451	19.9
138.02870	0.6
139.04053	1.2
140.56148	0.3
143.05055	1.4
144.03055	3.0
145.02916	1.3
145.06734	0.7
146.03819	0.4
147.04544	1.3
148.01759	0.3
149.02448	6.4
149.04504	0.3
149.06226	0.7
150.03241	1.2
151.04016	26.5
152.04369	1.4
155.05032	0.4
157.06699	0.4
158.03810	0.4
159.04497	3.5
160.05302	0.3
161.02458	5.0
161.04689	1.2
161.06203	1.9
162.03166	0.5
163.00429	0.3
163.04010	6.0
164.01254	0.4
165.05713	0.4
171.04642	0.6
172.05417	0.4
173.02521	0.7
173.06200	0.9
174.03397	0.8
175.04012	24.2
176.01195	0.3
176.04361	1.5
177.01929	12.7
177.05684	1.1
178.02414	0.7
183.04584	0.6
185.06062	1.9
187.04007	13.7
187.07678	0.4
188.04623	1.8
189.01947	1.4
189.05562	2.0
190.02826	0.7
191.03619	1.1
193.05067	3.5
194.05806	0.3
199.03966	1.8
200.04866	0.6
201.02025	0.5
201.05531	1.6
202.06151	0.3
203.03505	1.7
203.07306	0.9
204.04437	0.7
205.05074	4.1
206.05597	0.6
207.06743	0.7
209.06062	0.4
211.03998	4.2
211.07735	0.4
212.04785	1.1
213.02106	0.3
213.05539	3.1
214.02734	2.2
214.06233	0.4
215.03488	4.3
215.05301	0.3
216.04211	0.6
217.01610	0.5
217.05034	4.1
217.06750	0.3
218.05437	0.3
219.02998	1.5
225.05635	0.6
227.03510	4.4
227.07213	0.5
228.04266	2.7
229.05052	9.2
229.08667	0.5
230.05534	1.7
231.03006	2.2
231.06516	1.4
237.05643	0.6
239.03503	0.6
241.05025	0.5
242.02286	0.5
243.02960	5.6
243.06708	0.5
244.03256	0.5
245.04689	0.5
247.06198	1.2
253.05048	1.8
253.08890	0.3
254.05743	0.6
255.02986	20.8
255.06456	0.8
256.03729	11.7
257.04523	5.1
258.04755	0.4
258.74496	0.3
259.06094	0.3
261.04074	0.5
264.04276	0.3
269.04547	2.3
270.05084	0.4
271.06201	0.6
271.09848	0.7
273.04053	12.3
274.04636	1.2
280.03757	0.5
281.04541	7.3
282.01666	0.7
282.05112	0.7
283.02487	4.0
284.03113	1.3
285.04062	4.8
285.06946	0.3
286.04376	0.6
287.05817	0.5
288.02853	1.0
289.07260	0.3
293.16116	3.0
295.09799	0.5
297.04129	2.4
297.07721	2.0
298.04669	0.8
299.05573	1.6
306.09573	0.3
315.08792	1.8
316.09097	0.3
321.07681	0.6
339.08731	14.1
340.09064	1.5
341.06668	1.2
357.09784	1.4
363.08746	1.1
381.09778	6.2
382.10248	0.8
383.07654	0.6
389.06644	1.4
407.07712	100.0
408.08075	15.8
408.12482	0.4
425.08768	10.8
425.20273	0.8
426.09106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3119
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
57.03448	8.3
58.00596	7.3
59.01378	2.6
60.55852	1.1
61.98822	2.1
71.01385	20.2
71.62872	2.3
83.98193	1.4
85.02935	3.3
86.00103	4.2
86.61320	1.3
87.00871	4.1
88.01646	4.5
95.01383	1.8
95.05022	3.7
97.06595	1.5
98.03741	1.9
109.83683	1.3
123.08163	2.4
145.05058	3.0
147.08315	1.6
165.12807	3.2
179.14410	4.4
181.16100	1.9
189.12874	3.9
191.14514	1.9
197.15494	10.2
207.13863	1.9
209.15514	6.8
217.08444	1.3
219.13893	44.3
220.14253	5.5
221.15521	2.2
223.17044	2.6
233.15327	1.5
237.14951	41.2
238.15326	4.1
239.16541	12.7
251.16632	2.5
269.17596	25.8
270.17932	3.6
277.21695	2.8
287.18735	6.6
310.12051	1.6
313.16650	2.3
361.31244	4.4
379.32205	23.1
380.32648	3.0
423.31201	100.0
424.31601	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.9
57.03455	5.9
58.00574	2.7
59.01387	56.9
60.01704	0.7
61.98844	4.4
69.03436	1.9
70.31279	1.3
70.31646	1.0
71.01388	68.5
72.01707	1.5
72.99315	4.7
73.02953	23.5
74.16530	0.7
74.25161	0.6
75.00877	1.2
75.51223	0.6
77.79401	0.6
80.01558	0.6
81.03463	0.9
81.34313	0.5
83.01398	14.8
85.02959	33.9
86.00071	1.7
86.03284	0.9
87.00891	5.0
89.01923	1.4
89.02457	26.8
95.01392	3.4
97.02967	2.8
99.00895	10.7
101.02451	74.4
102.02718	1.6
111.00903	5.6
113.02460	23.9
114.02789	0.9
115.04007	1.0
119.03514	0.7
123.01968	0.7
125.02463	3.6
127.11295	1.0
129.01901	2.2
131.03508	29.2
132.03806	0.9
143.03497	3.4
147.31662	0.6
149.04568	6.7
159.03009	4.0
161.04570	20.9
162.04868	1.2
165.09206	0.9
189.65121	0.5
191.05563	1.5
194.69456	0.6
199.13470	0.7
205.03535	1.1
233.06656	4.3
239.44235	0.6
251.52989	0.6
291.18149	100.0
292.18503	9.8
335.17197	1.3
379.16766	1.4
423.22418	38.4
424.22644	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	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00082	0.5
71.52404	0.5
78.95901	15.1
90.57957	0.4
90.59474	0.4
91.75641	0.4
94.99053	0.4
104.97444	0.7
105.35345	0.5
110.98523	10.5
111.77459	0.4
122.75760	0.4
152.99583	1.0
167.01128	11.4
185.02211	3.0
214.96065	0.4
247.06506	0.4
255.23288	100.0
256.23636	11.7
336.82404	0.5
423.25146	17.3
424.25558	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08418	0.5
70.38440	1.7
78.78770	0.5
78.95908	15.2
93.05545	0.4
94.81198	0.5
99.92604	1.8
100.92592	0.7
104.97443	0.4
110.98542	7.5
118.89969	0.7
119.89997	0.8
120.89693	1.3
137.89960	1.0
152.99605	1.9
163.11279	1.2
167.01140	8.9
185.02200	2.3
207.66068	0.5
213.01135	0.4
255.23296	100.0
256.23630	11.6
276.16141	0.5
339.19763	0.6
339.23459	1.2
379.32376	1.1
423.13504	1.6
423.25134	15.9
424.12915	1.2
424.25464	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.2
57.03451	3.4
58.00599	1.6
59.01382	27.3
60.01711	0.4
61.98809	0.2
68.99823	0.4
69.03452	0.8
69.54936	0.3
69.55344	1.4
71.01388	43.0
72.01727	0.9
72.99310	2.2
73.02952	17.7
74.03317	0.3
75.00873	0.9
81.03448	0.3
83.01393	10.8
84.01742	0.2
85.02957	24.2
86.00109	1.3
86.03281	0.8
87.00871	2.4
89.02451	6.7
95.01378	2.7
97.02953	1.4
99.00887	7.8
101.02449	47.5
102.02785	1.1
111.00880	1.6
113.02458	18.5
114.02772	0.5
119.03478	0.5
125.02439	1.3
127.11284	0.7
129.01953	1.6
129.12823	0.2
131.03496	1.2
143.03496	2.2
149.04541	1.0
159.02998	3.7
161.04567	20.3
162.04909	1.0
191.05624	0.3
199.13412	0.5
205.03537	0.5
291.18143	100.0
292.18500	9.5
335.17297	0.7
423.22412	8.3
424.22684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.3
57.03449	4.1
58.00588	1.3
59.01380	28.3
61.98821	1.1
63.08060	0.3
69.03446	1.3
69.76448	1.3
69.76870	0.8
71.01385	51.2
71.05028	0.4
72.01740	0.9
72.99308	2.1
73.02950	20.4
75.00847	1.0
81.03465	0.5
81.05692	0.4
81.67727	0.3
83.01388	12.2
83.38509	0.4
85.02954	27.8
86.00096	1.3
86.03305	0.7
87.00887	2.8
89.02452	7.1
91.12061	0.3
93.62161	0.3
95.01393	3.7
97.02957	2.4
98.19793	0.4
99.00883	9.6
99.04520	0.3
101.02445	54.2
102.02795	1.5
104.05560	0.3
106.22398	0.3
111.00849	1.8
113.02454	21.1
113.43946	0.3
114.02789	0.4
115.04032	0.8
119.03463	0.3
125.02429	2.4
127.11277	0.7
129.01941	1.4
131.03528	1.9
143.03517	2.7
144.48767	0.3
149.04547	0.9
159.03009	4.7
161.04562	24.5
162.04843	0.9
193.52112	0.3
199.13327	0.5
205.03537	1.2
233.06712	1.0
238.97717	0.4
266.81311	0.3
291.18140	100.0
292.18488	10.6
335.17191	1.1
423.22382	21.4
424.22745	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	423.1816
Annotation	nymphaeol B
Peak:m/z	Relative Intensity
57.03433	1.1
57.90638	0.8
59.01375	2.7
61.98821	2.5
66.60131	0.9
66.71211	1.0
67.37166	0.9
69.83037	5.0
69.83429	1.9
76.13612	1.0
79.05529	1.2
79.38609	0.8
86.69579	1.0
89.03961	2.0
95.05030	1.0
96.96029	1.9
97.02962	1.3
108.02163	2.8
109.18947	1.0
111.59254	0.8
117.03457	4.4
118.44267	1.1
118.89977	2.6
121.02948	1.5
122.03616	1.1
123.04545	6.1
124.47429	1.0
125.09811	0.9
127.07683	1.0
133.02950	2.8
134.03755	100.0
135.04202	4.6
135.08162	1.4
136.01671	10.2
147.04485	2.2
148.05286	2.7
149.06102	49.0
150.06445	3.4
150.10997	0.9
151.04016	13.5
152.04369	1.1
159.04404	1.2
161.06129	1.3
162.03192	1.8
177.05615	3.0
177.12892	1.4
186.03236	8.4
187.03996	3.3
187.07695	1.3
193.05089	22.3
194.05475	1.9
201.05589	11.6
202.06224	1.8
211.13477	1.0
215.07198	1.7
217.12372	1.7
243.06569	1.2
320.17822	1.2
364.16797	3.0
379.19095	10.4
380.19522	1.9
423.18167	95.7
423.35339	2.2
424.18497	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	423.1813
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01378	2.7
59.98524	0.9
61.98824	1.3
71.35332	1.1
74.99509	0.5
77.31537	0.6
79.94170	0.6
80.16245	0.6
85.02949	0.7
89.03983	1.5
105.01969	0.7
108.02203	0.8
109.02980	1.1
117.03465	6.8
121.02938	1.7
122.03773	1.0
123.04534	0.8
125.09728	0.9
133.02994	0.8
134.03743	93.7
135.04221	3.1
137.02428	1.0
147.04512	1.0
148.05324	1.8
149.06079	14.2
150.06410	0.8
152.99728	0.6
161.06052	0.7
161.09767	0.7
178.02844	1.0
187.09793	1.3
193.05063	35.0
194.05418	2.5
214.09988	0.8
229.12349	2.6
305.15414	2.3
319.17004	1.7
320.17819	4.5
335.19992	1.5
379.19171	2.8
423.18127	100.0
424.18491	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	422.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19591	0.9
57.03437	1.1
57.65087	1.0
58.99607	3.4
59.01381	11.2
61.98833	94.1
69.29974	8.8
71.01390	7.9
73.02936	2.5
77.09691	1.0
85.02954	2.7
87.00886	4.4
89.02457	3.9
91.48631	0.9
101.02464	4.5
102.98605	25.6
102.99266	1.9
107.02375	1.0
112.04067	7.4
113.02456	1.8
117.01960	1.1
120.99660	100.0
122.00059	2.1
125.02473	2.7
126.05618	4.6
137.02473	1.1
138.05646	2.5
149.02519	1.0
161.04510	3.4
167.03534	0.9
172.04332	1.2
205.07210	1.1
235.50366	0.9
238.89249	0.9
243.02982	1.6
249.06206	2.6
255.02960	1.6
266.12070	0.9
271.62674	0.9
277.12827	1.4
283.05002	19.2
283.08081	1.5
324.72955	1.0
363.16449	1.2
402.09698	1.0
423.07056	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	422.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85558	1.1
59.01388	11.1
60.01730	1.2
61.98833	100.0
63.29780	1.3
69.58807	5.4
69.59227	2.7
71.01385	7.5
73.02947	2.1
74.99120	2.0
83.01376	1.2
85.02977	2.8
89.02459	4.1
99.00867	1.2
101.02467	7.2
106.63515	1.1
113.02441	3.4
119.03493	1.4
125.02479	1.4
134.18242	1.3
136.96101	1.2
161.04549	2.9
246.91069	1.3
291.14532	4.4
293.37393	1.3
351.84561	1.4
393.24188	1.3
423.18616	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	422.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72814	0.7
59.01379	3.0
59.95001	0.6
61.25217	0.7
61.98832	100.0
66.87603	0.7
69.55771	3.8
71.01388	1.3
74.02921	0.9
92.44388	0.7
96.81316	0.6
101.22647	0.6
102.98616	2.3
112.04059	0.8
120.99655	9.8
161.04649	1.0
195.78058	0.7
246.10252	0.8
255.02711	0.7
259.08279	0.7
283.05115	2.5
316.77374	0.8
363.16727	0.8
398.66763	0.7
423.07291	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	422.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63173	0.9
52.51868	0.8
57.03439	1.3
59.01383	11.6
61.98837	100.0
69.34734	1.6
69.35136	7.0
71.01392	10.7
72.99310	1.2
73.02953	4.1
75.10936	0.9
81.16441	0.8
83.01381	2.5
85.02969	4.8
87.69795	0.8
89.02450	3.0
96.96022	1.1
98.19851	2.0
99.00897	1.3
101.02458	8.9
107.47238	0.8
110.30472	0.9
113.02446	3.7
125.02477	1.2
126.09875	1.0
131.03459	1.0
135.04515	0.9
137.02505	1.1
149.04596	0.9
159.03041	1.2
161.04546	3.9
167.03487	1.3
179.07086	1.7
181.05009	2.4
182.05388	1.3
195.06689	1.4
196.07434	1.3
197.58015	0.8
211.09831	1.8
212.10085	2.8
290.17020	1.1
291.18134	12.6
299.93866	1.0
417.46017	1.0
423.07269	1.1
423.22681	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	422.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.8
61.98834	100.0
69.47375	14.0
69.47788	6.0
154.54298	3.2
163.03862	2.7
202.71124	3.2
278.58783	2.7
305.17615	3.1
323.18610	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.6
59.01382	20.7
60.01727	0.6
61.98833	10.7
69.92937	1.9
71.01385	14.2
72.99316	3.3
73.02970	3.7
74.99098	0.7
75.00869	3.1
78.95902	1.2
79.95736	9.4
80.96497	2.0
81.03464	0.6
83.01376	1.7
84.95081	0.5
85.02958	4.8
87.00874	2.8
89.02456	7.4
93.03438	1.8
95.01384	0.6
96.96013	5.3
96.96949	2.0
97.02934	1.2
98.20614	0.8
99.00877	2.5
101.02444	8.5
107.05025	1.4
109.02926	2.0
109.31391	0.5
110.43552	0.5
111.00872	0.9
113.02442	4.1
116.92833	1.0
119.03503	2.8
119.05028	28.5
120.05362	2.2
120.99695	1.3
121.02947	2.0
125.02456	3.3
129.05582	0.8
131.04993	0.6
134.03716	0.8
135.04535	16.9
136.04887	0.9
137.02446	2.9
138.97035	0.6
139.03955	0.6
143.03539	1.3
149.02451	0.9
158.08170	0.6
159.02975	0.5
159.04460	0.5
159.06644	1.8
161.02460	1.0
161.04523	4.2
163.00375	0.9
163.04010	25.5
164.01093	0.7
164.04359	1.6
165.05530	1.9
177.01865	1.5
177.05548	3.9
179.05569	1.4
181.05063	44.2
182.05461	3.0
182.06813	0.6
195.06773	0.5
199.00694	10.0
199.03763	0.7
201.11395	0.9
215.00220	5.8
215.03459	0.7
217.04968	0.9
223.06114	7.6
239.03520	1.2
242.99718	1.3
243.02943	1.9
249.05879	0.6
253.07263	0.6
255.03008	2.3
257.04593	0.8
261.00708	11.1
261.09784	1.9
262.01041	1.0
269.04407	0.6
282.01508	0.6
285.04129	3.3
295.99075	0.7
297.03934	0.9
303.01782	4.3
313.03534	0.7
333.02878	2.1
343.10269	1.3
363.03891	4.2
363.16333	2.8
405.05914	1.2
423.06049	100.0
423.15210	2.8
424.06339	12.5
439.91165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03449	2.6
59.01372	4.0
61.98838	2.4
69.03453	7.6
71.01383	73.6
71.63941	2.1
72.01746	1.4
72.99311	2.7
73.02949	3.4
74.86890	1.4
81.03468	3.8
81.06628	1.2
82.96014	1.3
83.01394	6.1
85.02957	22.6
95.01406	1.5
96.95952	1.3
97.02956	9.6
98.71773	1.4
99.00880	5.9
113.02454	27.1
125.02435	11.1
129.24704	1.4
166.71573	1.4
267.20032	1.7
277.21713	100.0
278.22061	14.2
301.21902	2.8
331.22897	1.6
332.17978	1.4
373.23813	9.6
417.11542	1.5
421.30133	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03443	3.2
57.80124	1.1
59.01366	3.4
61.98828	2.6
68.70028	1.1
69.03451	6.6
71.01385	74.9
71.64320	1.2
72.01690	1.3
72.99310	2.6
73.02951	3.8
81.03444	3.0
83.01400	5.0
83.05054	2.1
85.02947	19.3
89.59683	1.0
95.01386	2.0
97.02944	7.6
99.00883	4.7
101.02444	2.9
112.06860	1.1
113.01691	1.6
113.02455	28.9
125.02461	12.0
150.18082	1.1
221.07013	1.1
268.01724	1.1
269.17572	1.6
271.19159	1.9
277.21719	100.0
278.22083	14.9
291.23349	3.0
301.21619	1.5
304.19275	1.2
317.24203	1.1
329.21402	1.4
345.24243	2.7
373.23871	11.2
421.29541	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2594
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03453	3.7
59.01386	10.4
61.98825	6.5
69.03471	1.8
71.05040	2.5
71.62983	2.7
71.78319	1.5
78.41586	1.6
83.05033	8.7
85.06603	2.3
87.04543	2.3
92.53819	1.8
96.96030	4.8
97.06596	3.9
107.05045	1.9
107.63167	1.7
109.06696	1.5
111.08196	2.9
113.02431	1.7
123.08165	2.8
125.09744	9.2
146.27364	1.9
159.11765	1.7
166.65952	1.7
170.31126	1.6
171.10291	19.0
174.44211	1.5
181.12372	1.6
185.11856	2.5
205.16051	4.6
209.11913	2.7
211.13428	6.5
211.91490	1.7
215.14417	2.6
221.15543	2.8
231.14056	3.4
233.15482	33.5
234.15813	2.7
249.14961	12.4
251.16466	2.5
257.17505	3.0
259.13132	1.6
329.04465	1.6
329.08490	1.5
331.26193	2.5
341.24771	3.9
359.25769	2.8
377.26959	2.9
385.24020	5.0
403.24902	56.2
404.25323	12.2
421.26050	100.0
422.26266	17.4
446.03802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
59.01375	4.5
61.98839	1.2
69.03455	5.1
69.36388	11.2
71.01385	53.4
72.99306	2.4
73.02930	3.8
79.39194	1.1
81.03455	2.2
83.01388	5.3
85.02957	18.9
87.00893	1.5
95.01392	1.5
97.02969	9.2
98.20573	2.8
99.00878	4.9
100.13935	1.2
101.02442	3.9
113.02452	24.7
119.22192	1.2
125.02461	13.8
131.74840	1.3
151.72545	1.2
152.75352	1.3
156.62134	1.3
253.22112	1.5
277.21713	100.0
278.22046	13.8
291.23312	1.9
301.21783	1.6
345.24118	2.4
373.23862	11.7
374.24118	3.0
376.59158	1.3
421.29544	1.7
423.13904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1867
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
59.01377	11.5
61.98826	1.0
69.03438	1.2
69.41134	2.2
69.41557	3.9
69.87791	0.7
71.01385	2.1
83.01373	0.7
85.02964	1.2
89.02451	1.0
91.12678	0.7
96.96027	1.0
97.02956	1.2
101.02452	2.8
108.02181	11.7
109.02964	7.2
111.04564	0.9
121.02946	1.2
123.00939	1.0
124.01677	6.6
125.02465	12.0
135.04564	1.1
136.01668	1.5
137.02454	39.7
138.03256	10.7
139.04022	16.3
145.02936	1.1
147.04462	0.6
150.03195	1.4
151.04024	11.9
152.01141	5.3
152.04790	7.3
153.01933	2.4
153.05573	2.1
155.10837	1.0
162.03188	3.1
162.16933	0.7
163.04033	4.0
164.04793	3.0
165.01875	0.8
165.05568	2.7
166.02698	1.3
167.07115	0.9
170.02245	2.3
175.03996	4.3
176.04724	3.5
177.05595	11.4
178.05956	0.9
179.03482	2.9
179.07185	0.8
180.04268	9.9
181.05066	15.5
182.05396	1.4
184.03775	2.5
185.11722	0.9
188.04784	1.2
189.05573	2.0
190.06276	0.9
191.07097	2.0
193.05077	1.1
194.05820	8.0
194.63652	0.6
195.06612	30.7
196.06987	2.1
206.05827	1.3
207.06645	7.2
208.07289	1.8
209.08185	6.8
219.06551	0.9
221.08066	0.7
236.06973	0.9
237.07622	1.5
238.08429	0.8
253.10831	1.2
257.03433	0.9
258.03665	1.0
259.04037	0.8
261.08090	0.8
286.03784	1.1
288.04474	1.0
324.48596	0.8
329.23569	1.1
331.11844	1.1
347.24329	3.0
361.12921	12.1
362.13263	2.0
373.12958	1.5
375.14496	1.9
391.14047	15.6
392.14380	1.6
405.16022	0.9
406.16345	36.7
407.16653	4.6
421.09360	3.3
421.18701	100.0
422.10910	5.6
422.19049	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62281	0.4
55.01877	4.9
57.03453	3.7
58.00587	2.0
59.01380	30.2
61.98826	1.4
69.03459	1.1
69.07009	0.4
69.62192	2.7
71.01385	58.4
72.01723	0.9
72.99310	3.3
73.02947	22.8
75.00871	1.2
81.03439	0.6
83.01389	11.7
85.02955	29.0
85.13576	0.4
86.00098	1.5
86.03283	0.6
87.00880	2.3
89.02448	9.5
95.01399	3.7
97.02959	1.9
98.19869	0.8
99.00890	9.6
99.04454	0.5
101.02446	51.2
102.02781	1.0
111.00883	1.6
113.02450	21.6
114.02779	0.6
115.04037	0.7
119.03502	1.4
125.02423	2.3
129.01942	1.6
131.03520	2.5
143.03519	2.7
149.04562	1.7
159.03011	4.7
161.04561	24.2
162.04945	1.2
198.95918	0.4
205.03528	1.3
258.01620	0.8
259.02515	1.1
274.19080	0.4
289.16559	100.0
290.16943	9.7
333.15570	1.1
385.12576	0.5
421.08090	1.2
421.15363	0.4
421.20718	13.5
422.21082	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.3
61.98511	7.7
61.98827	100.0
69.61032	7.4
69.61443	20.4
71.01385	12.5
73.02911	4.6
83.01383	5.3
84.09887	4.0
85.02958	4.8
89.02425	9.4
98.20578	8.5
99.04514	4.4
101.02437	15.3
113.02441	4.6
119.03561	4.4
125.02419	5.3
137.02438	8.6
146.82138	4.0
151.49580	3.9
155.10803	21.8
161.04543	5.5
180.99416	3.6
199.09792	23.9
228.53946	4.2
241.10677	4.0
409.84387	4.3
421.16116	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.7
61.98831	4.1
69.42300	10.7
69.42619	1.2
71.01401	9.8
73.02959	16.6
76.30590	1.5
85.02962	3.1
87.04504	2.9
89.02444	2.4
101.02451	100.0
102.02793	3.2
112.29741	1.3
113.02459	5.7
119.03484	2.2
120.99664	3.2
131.03499	2.1
137.02460	2.6
137.09717	10.0
138.03253	1.4
155.10797	61.6
156.11105	3.3
161.04599	2.7
169.12306	2.5
181.08778	2.9
194.71906	1.3
195.06621	1.8
195.21695	1.5
199.09760	47.8
200.10098	2.5
241.10831	10.6
275.15070	3.9
301.12933	4.2
331.14001	4.5
406.16336	2.1
421.18381	5.5
449.36203	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	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.7
61.98831	4.1
69.42300	10.7
69.42619	1.2
71.01401	9.8
73.02959	16.6
76.30590	1.5
85.02962	3.1
87.04504	2.9
89.02444	2.4
101.02451	100.0
102.02793	3.2
112.29741	1.3
113.02459	5.7
119.03484	2.2
120.99664	3.2
131.03499	2.1
137.02460	2.6
137.09717	10.0
138.03253	1.4
155.10797	61.6
156.11105	3.3
161.04599	2.7
169.12306	2.5
181.08778	2.9
194.71906	1.3
195.06621	1.8
195.21695	1.5
199.09760	47.8
200.10098	2.5
241.10831	10.6
275.15070	3.9
301.12933	4.2
331.14001	4.5
406.16336	2.1
421.18381	5.5
449.36203	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.6
61.98845	12.2
69.74860	7.0
73.04577	7.2
98.20594	12.9
119.70113	7.5
229.16690	8.5
259.15601	10.3
312.09705	6.5
401.16245	6.4
419.53436	7.9
421.16248	100.0
421.21191	9.5
422.16739	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	46.7
61.98832	27.7
69.72292	27.2
71.01366	12.7
74.99118	9.7
80.31934	5.1
89.02464	9.8
98.49882	4.6
99.04529	5.2
101.02417	8.1
103.03796	6.2
119.03511	7.2
127.07735	5.4
131.52411	4.9
136.99146	5.6
137.02429	10.9
138.14543	5.3
150.54312	4.9
161.04553	5.8
213.05548	8.9
216.04308	15.1
230.60562	5.2
241.05029	30.8
259.06122	100.0
260.06439	9.4
265.74551	5.5
301.07019	6.1
331.98685	5.0
361.12839	6.4
391.13916	14.2
421.11087	8.7
421.15866	35.3
422.16513	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.0
61.98832	22.4
71.01363	9.8
71.39566	8.1
89.02474	10.2
124.39420	7.9
164.45738	7.8
269.10678	9.2
344.02206	9.3
421.16351	100.0
422.16666	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	421.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72026	1.2
58.47123	1.0
59.01382	9.7
61.98844	16.9
71.01392	5.8
71.61600	1.4
72.99303	1.8
73.02971	1.2
74.99120	6.1
78.95920	2.5
80.91683	2.8
82.35728	1.1
83.01362	1.4
85.02966	2.1
87.00873	2.1
89.02441	4.6
101.02413	3.7
101.34864	1.1
102.98610	3.2
112.04128	1.9
113.02425	2.0
117.00477	1.8
117.97346	6.6
120.01265	100.0
120.99671	8.7
121.01585	2.6
123.04447	1.1
125.02447	4.1
136.99155	7.5
137.02455	2.6
138.05629	6.9
138.98714	2.5
139.04002	1.3
149.02426	2.3
154.05110	1.3
155.97647	1.2
155.98849	6.5
158.08156	3.6
160.87088	1.0
161.04617	2.6
165.01907	2.2
171.01244	3.2
177.01915	2.7
192.34097	1.3
193.01393	1.9
208.03790	1.6
223.06096	4.2
258.30142	1.2
283.05038	1.3
289.07828	3.5
298.03714	2.1
300.10770	3.4
361.05646	2.6
391.17566	1.3
421.11929	5.4
421.20941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12326	2.3
59.01381	23.1
61.98836	24.6
69.03487	2.5
69.35148	20.7
71.01387	16.5
73.02950	2.8
85.02978	5.3
89.02462	9.2
95.01355	2.1
96.80292	1.9
96.96014	3.7
98.20649	4.4
101.02421	10.8
106.48046	2.3
108.08258	2.2
109.02959	13.1
111.82749	1.8
112.47642	1.9
113.02463	5.4
120.99678	8.4
124.01688	5.0
125.02444	14.8
127.07679	5.1
130.00256	2.0
133.60242	2.0
137.02446	50.4
138.03299	10.9
139.04019	14.2
151.04051	11.1
152.04762	6.1
153.01959	5.1
153.05632	2.3
155.10774	16.3
159.99460	2.1
163.04015	5.6
164.04837	3.7
165.05647	4.8
175.04033	2.3
176.04729	2.7
177.05586	13.0
178.05165	3.1
179.01794	2.0
179.03506	3.2
180.04312	6.0
181.05054	22.7
194.05916	7.0
195.06627	33.8
199.09714	12.5
207.06517	3.1
209.08284	6.8
238.41699	2.2
331.14169	3.8
361.13068	7.5
391.14023	13.7
406.16336	37.5
407.16760	3.4
421.18814	100.0
422.19122	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	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	27.0
57.34353	25.2
59.01376	76.9
60.03628	25.1
61.98859	34.1
71.01391	42.6
98.20633	56.3
98.36176	22.4
101.02470	45.0
107.49872	27.2
119.83959	26.0
136.99083	41.0
144.93047	23.9
151.42323	22.9
222.96021	27.2
240.10713	27.9
248.86899	23.2
259.06436	23.4
421.16351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65091	0.3
59.01388	1.0
61.98831	100.0
62.85591	0.3
66.36215	0.3
69.76502	2.0
71.01369	0.3
81.49517	0.3
82.14057	0.3
84.50224	0.4
88.84227	0.3
90.06769	0.3
98.20568	0.3
225.32903	0.3
242.07648	0.4
328.88031	0.3
420.09631	0.4
420.15912	0.8
421.16003	0.4
424.70551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
61.98831	100.0
62.98545	0.5
69.66639	2.7
71.01382	1.6
73.02961	0.7
77.04659	0.4
87.00832	0.5
89.02442	0.8
93.96506	0.5
100.39159	0.4
101.02473	1.3
108.26583	0.5
109.02944	2.5
113.02446	0.8
121.03040	0.5
121.99323	0.5
123.00900	0.6
123.04511	0.6
124.01663	2.2
125.02460	2.9
137.02455	11.2
138.03236	2.5
139.04048	2.6
145.03062	0.6
150.03276	0.5
151.04001	2.3
152.04848	1.5
153.05615	0.9
155.10797	0.7
162.03249	0.5
163.04018	1.5
165.05556	0.8
175.04044	0.5
176.04793	0.8
177.05609	1.7
180.04301	2.4
181.05057	4.4
190.06334	0.4
194.05893	2.0
195.06636	6.3
199.09799	0.7
205.05061	0.5
205.74651	0.5
207.06697	0.7
209.08223	1.7
213.05466	0.5
215.07256	0.9
224.07181	0.5
259.06085	1.4
361.12732	2.3
375.14529	1.2
383.20834	1.1
384.21027	0.8
391.14130	3.8
406.16284	8.7
421.18750	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81470	2.3
59.01386	5.2
61.37687	2.3
61.98830	100.0
62.46331	2.5
71.63034	4.2
73.49744	2.2
123.23761	2.5
167.03468	5.0
199.97862	4.4
403.19894	2.6
421.29526	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	420.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65706	1.1
55.78598	0.9
57.03448	1.2
59.01371	4.3
59.60772	1.0
61.98834	100.0
62.07672	1.1
71.63381	1.4
96.07233	1.1
99.04468	1.5
124.17698	1.1
124.47580	1.3
187.27470	1.3
278.34473	1.3
357.26477	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	421.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.9
61.98835	100.0
71.01395	1.9
71.63388	0.8
73.02959	0.8
74.37944	0.4
85.02960	0.9
89.02461	1.2
96.30089	0.4
101.02449	1.4
119.03508	0.5
122.99144	0.6
137.02481	0.7
150.03291	0.5
151.04024	0.5
159.44672	0.4
179.31621	0.6
185.11734	0.6
199.19775	0.5
224.37239	0.4
289.16757	1.0
292.83157	0.5
301.16956	0.5
421.09698	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01382	100.0
60.01706	0.9
61.98835	3.2
62.87244	0.6
62.90495	0.6
70.39946	2.2
71.01382	5.8
71.05019	0.6
72.99279	0.7
73.02957	1.2
83.01379	1.0
85.02975	1.1
87.00874	1.1
87.14541	0.6
89.02453	8.5
95.01388	0.7
96.67222	0.6
97.06603	2.1
101.02460	4.3
106.14122	0.7
111.00883	0.8
111.40186	0.7
113.02447	3.2
119.03516	3.1
123.04508	0.7
153.12854	16.7
161.04544	1.5
179.05598	1.6
179.10799	6.1
180.11295	0.8
197.11832	33.9
197.53972	0.6
198.12234	1.7
201.11385	0.7
213.12981	0.8
347.24506	2.5
359.11340	0.7
375.21790	0.8
419.16821	2.2
419.22232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01381	100.0
60.01730	1.1
61.98833	13.9
65.34544	0.5
71.01379	4.9
71.62388	0.7
73.02952	1.1
74.99131	0.6
83.01406	1.0
83.05064	0.5
85.02959	1.4
87.04531	0.4
89.02439	2.8
93.03481	0.5
97.03017	0.6
97.06594	0.5
99.04562	0.6
101.02437	2.5
109.02955	3.5
113.02450	1.5
119.03509	0.7
120.71639	0.4
120.99704	0.5
121.02938	0.7
123.00933	0.5
123.04545	1.4
125.02456	2.8
131.03644	0.5
132.15308	0.4
136.99210	0.4
137.02510	0.8
138.03221	0.7
139.00334	0.5
139.41278	0.4
149.02396	0.8
151.04056	0.5
161.02441	0.6
161.04602	1.1
166.02800	0.4
167.03505	1.0
177.05609	0.6
179.05676	0.5
192.62141	0.4
203.10884	0.6
204.78215	0.4
205.05087	1.0
211.03983	0.7
212.04793	1.3
213.05545	4.2
221.11922	1.2
227.03528	0.7
239.03464	0.7
256.03915	0.6
257.04611	3.1
257.17709	0.5
259.06158	1.4
269.04617	1.1
273.87057	0.6
274.08551	0.6
287.05545	0.8
351.61899	0.5
357.13135	0.5
401.12732	1.4
419.09445	3.9
419.18274	0.6
419.23019	1.5
420.18506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62085	0.5
56.74401	0.4
59.01379	5.1
61.98833	3.2
70.00743	0.9
70.01127	1.0
71.01387	2.2
73.02941	0.5
74.99100	0.7
75.00854	0.5
77.33244	0.4
83.01384	0.6
85.02924	0.9
87.00889	0.5
89.02451	2.6
95.01360	0.5
98.20595	0.6
109.02943	1.5
111.00893	0.7
113.02440	0.9
119.03493	0.7
123.00851	1.5
123.04454	0.8
124.01658	6.0
125.02425	1.7
129.01932	0.8
136.99220	0.5
137.02463	3.7
138.03218	1.7
139.04019	6.1
151.04062	0.6
152.04781	1.0
153.05554	1.5
161.02406	0.9
161.04559	0.8
162.03249	0.8
163.04028	0.7
167.03265	0.4
173.02425	1.4
174.03200	2.5
175.04057	2.7
176.04729	0.4
177.05562	1.5
187.03951	0.7
188.04694	0.6
189.05507	1.7
191.07103	0.6
192.04335	0.6
193.04967	0.6
201.05634	0.4
204.04147	0.6
205.05037	2.3
206.05812	3.1
207.06570	1.8
219.06630	1.0
220.07491	0.6
221.08269	4.8
222.08463	0.6
224.04681	0.5
225.05666	0.6
237.07695	0.9
240.76697	0.4
250.08443	1.9
251.09090	0.5
252.04459	0.6
253.05016	1.6
255.06546	1.1
267.06567	0.7
269.04407	0.5
270.05365	0.7
271.02777	0.7
271.06076	1.0
272.06964	0.5
273.07568	0.5
277.56213	0.5
280.03882	2.1
281.04547	3.8
282.05096	1.4
283.06116	2.2
284.06726	0.9
285.04288	0.6
285.07654	1.5
286.04791	0.9
293.04346	0.6
294.05219	1.2
295.05939	1.1
297.04031	1.4
297.07562	0.6
298.04822	4.6
299.05511	2.7
299.08655	0.5
300.06277	1.2
301.07211	4.8
311.05667	3.3
312.06296	4.3
313.07172	16.8
313.10822	0.9
314.07755	3.0
315.08643	3.3
316.09402	0.5
325.07156	1.0
326.07938	3.0
327.08716	15.3
328.05786	1.8
328.09274	3.0
329.06635	8.2
329.10330	2.8
330.07126	0.7
341.10242	2.3
342.07211	0.5
343.08212	10.0
343.11896	1.3
344.08948	18.5
345.09393	2.5
357.09760	1.3
357.13568	0.8
358.10556	41.6
359.11319	72.5
360.11694	8.8
371.11273	0.6
373.12903	63.2
374.13339	8.4
389.12396	17.5
390.12781	3.0
402.13132	0.8
403.13748	0.7
404.14740	68.0
405.15051	11.0
405.20068	0.8
419.17108	100.0
420.17407	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	419.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49493	1.0
53.34504	0.8
57.03438	1.7
59.01379	17.2
59.18958	0.9
61.34398	1.0
61.98821	4.8
62.37474	0.8
70.41550	0.9
70.64878	2.8
71.01379	2.3
71.33434	0.8
77.03922	1.3
78.78633	1.0
85.02972	1.3
85.42117	1.0
87.00824	1.0
93.03459	2.8
95.01382	1.4
95.39626	1.0
96.62654	0.9
101.02448	1.5
103.22601	1.0
108.02157	0.9
112.53550	0.9
121.02947	9.4
122.03725	4.1
123.04494	1.6
125.02467	1.2
135.04504	1.0
136.01620	1.0
145.78314	0.9
149.02443	100.0
150.03250	23.7
151.03757	1.7
164.04799	12.2
165.05559	29.4
166.05905	1.6
179.03494	3.5
180.04242	1.3
194.05832	2.6
195.06630	9.1
208.07417	1.4
209.08226	4.4
213.09181	3.3
257.08203	10.0
329.14005	5.3
330.14133	1.2
347.24429	1.3
356.12628	15.0
357.13116	2.8
371.14990	59.8
372.15302	8.9
410.40280	0.9
419.21182	1.9
420.19434	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	419.1559
Annotation	Lamioside
Peak:m/z	Relative Intensity
55.01870	3.5
57.03436	2.4
58.00589	5.2
59.01381	100.0
60.01728	1.3
69.45055	0.9
69.67988	4.6
69.68401	1.5
71.01383	64.5
71.26697	0.9
72.01704	1.3
72.99308	4.2
73.02945	12.6
83.01386	7.5
85.02949	22.1
87.00869	5.2
89.02446	53.6
90.02774	1.3
91.31377	0.9
95.01389	4.2
97.02966	1.6
99.00871	4.4
101.02444	54.1
113.02451	26.3
114.02821	1.0
119.03502	25.3
120.55537	0.8
131.03493	2.4
143.03497	5.4
149.04515	1.1
152.01151	5.2
159.03004	3.1
161.04550	15.1
167.03481	7.1
176.01097	1.9
179.05653	6.7
179.79755	1.0
181.05092	2.0
191.03479	1.7
216.86594	0.9
239.09222	1.0
257.10281	19.2
258.10602	1.9
308.77258	0.9
382.70120	0.9
419.15570	18.5
420.15833	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	419.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24712	2.3
56.94399	2.4
57.03440	8.4
57.36121	2.5
58.41338	2.7
59.01375	35.9
60.39263	2.1
61.98818	10.2
69.03441	2.8
70.30581	7.6
70.30912	2.6
71.01381	28.3
72.99303	4.1
73.02936	7.5
81.03476	3.1
83.01395	4.2
85.02952	20.4
89.02442	11.7
93.03464	26.0
95.05040	3.1
97.02957	12.6
97.06535	2.4
98.20564	3.1
101.02453	26.2
108.02167	10.0
109.02946	11.8
109.06592	12.7
111.04494	3.9
113.02439	8.9
121.03010	2.7
123.04523	4.9
124.01668	6.2
125.02443	39.1
128.00748	2.7
131.03448	6.4
133.10251	26.6
134.03745	6.3
134.10550	2.7
135.08183	7.1
137.02448	40.0
137.57249	2.4
138.03178	3.0
139.03963	8.2
143.03438	3.7
151.03902	2.8
151.11259	8.9
153.09212	93.5
154.09503	3.8
161.09714	5.4
165.01883	3.6
167.03424	6.8
167.10745	19.2
168.00546	3.4
168.40216	2.6
177.09180	5.5
189.09171	6.7
195.10272	24.0
197.08186	100.0
198.08516	8.1
207.10257	58.6
208.10565	5.9
210.05544	5.7
212.04764	28.8
213.05486	8.5
221.08145	5.7
239.09174	11.8
255.10515	3.2
256.10663	4.4
257.10898	7.2
269.10211	7.7
281.06705	11.6
298.04672	2.9
299.05655	4.3
299.11349	29.6
312.06198	4.9
313.07190	10.8
327.08710	10.9
329.06680	4.6
329.12289	7.5
343.08170	3.2
344.08829	14.9
357.13361	9.1
358.10678	20.7
359.11273	35.9
373.12930	37.1
374.13293	5.8
375.10413	3.3
389.12210	12.8
404.14722	45.8
405.15186	6.0
419.09821	16.5
419.17087	66.2
419.22614	4.3
420.17441	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	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88595	0.8
53.90439	0.7
55.01883	4.3
56.53901	0.9
57.03452	2.4
58.00603	4.5
59.01379	100.0
60.01699	1.6
69.98806	3.5
71.01384	54.0
72.01698	1.5
72.99312	4.4
73.02943	7.7
74.99086	1.7
79.01261	0.9
83.01400	6.1
85.02960	17.0
87.00873	2.6
89.02444	42.5
95.01395	4.2
99.00880	4.4
101.01769	2.0
101.02445	41.2
113.02450	23.9
114.02773	1.0
119.03503	19.1
131.03549	2.7
143.03528	2.3
147.47682	0.9
149.04529	1.1
152.01158	2.7
159.02974	2.2
161.04568	10.7
167.03534	6.2
176.01288	1.4
179.05557	4.9
181.05115	1.3
182.05887	1.6
191.03464	2.1
197.08173	2.6
213.72670	0.8
238.04736	1.4
239.09158	1.3
257.10318	14.0
258.10556	0.9
419.15512	11.5
420.15839	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	417.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57780	1.5
58.00606	2.0
59.01389	14.9
70.32123	6.3
71.01384	24.8
72.99309	3.2
73.02963	2.7
75.00869	4.4
85.02969	7.2
89.02468	5.7
95.01421	2.3
97.02926	1.5
100.79546	1.5
101.02447	8.3
113.02460	10.4
116.92854	1.7
119.03443	2.0
161.04623	2.1
178.85887	1.5
183.45047	1.5
185.18219	1.7
239.23831	2.4
255.23296	100.0
256.23700	11.4
267.23199	3.8
269.21985	2.6
269.24866	52.8
269.27679	3.5
270.25162	6.2
279.23312	7.1
281.24673	3.3
293.82132	1.8
297.24304	13.9
298.24503	2.2
309.24466	8.9
313.23911	4.5
327.25388	3.8
417.26233	2.5
430.25293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	17.6
65.84509	3.9
68.03565	2.9
71.01392	20.2
71.64490	4.2
75.00880	7.7
85.02949	9.0
89.02421	10.9
101.02425	7.9
102.27419	3.0
113.02498	15.3
155.86800	4.0
247.32779	3.0
255.23311	100.0
256.23566	11.7
269.24863	16.6
281.24396	4.7
297.24374	21.5
309.24396	9.2
327.25360	6.0
327.43863	3.4
398.72574	4.1
403.46594	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	418.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06110	26.0
56.86861	24.0
57.20172	23.1
59.01377	32.5
61.98827	100.0
69.90852	25.7
79.38132	24.2
154.35745	22.4
154.61299	21.2
225.06653	24.4
264.49042	24.4
296.78549	22.2
301.21655	57.0
310.12112	28.2
438.26788	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07673	0.9
59.01378	2.4
61.98819	5.1
68.51597	0.9
69.03452	1.8
69.93785	5.9
78.95913	6.1
79.05721	1.0
83.05042	1.5
84.79556	0.9
97.02959	5.7
112.00036	1.0
115.04037	2.8
115.92158	1.1
116.92883	1.0
117.03474	19.4
140.07190	33.6
141.07445	1.4
149.78622	1.0
150.54700	1.0
152.99600	10.4
161.02478	7.1
163.04063	2.3
164.04292	1.9
277.21725	100.0
278.22058	13.9
317.21005	1.2
321.24399	4.1
333.20587	1.2
418.26785	4.3
419.28149	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	417.228
Annotation	Phyllanthin
Peak:m/z	Relative Intensity
50.64244	1.1
50.88762	0.9
57.03443	12.3
59.01382	6.6
60.57626	1.0
61.98814	4.6
69.03445	1.5
69.36121	9.7
69.64864	1.0
71.05006	1.4
73.02927	2.2
78.82494	0.9
79.86385	1.0
83.05025	81.2
84.05354	1.8
84.79932	1.0
85.02927	1.1
85.06589	1.2
88.04651	0.8
93.03423	1.1
97.06577	1.1
107.04983	1.3
109.05893	1.3
109.06593	22.1
110.54016	0.9
116.94666	0.9
119.08589	2.9
121.02912	2.3
123.08161	2.4
127.07603	1.2
135.08151	2.0
147.08122	1.2
149.09528	1.3
151.00328	1.3
159.11768	1.2
207.10121	1.8
209.15919	1.3
227.03430	2.0
269.19012	1.5
297.22171	16.8
298.22397	2.8
311.23672	1.2
319.53339	1.2
321.12747	1.2
341.17438	1.8
341.21179	29.3
342.21371	3.8
355.22775	2.1
357.16690	1.3
357.24048	1.2
373.23813	27.4
373.28436	1.8
374.24054	3.6
385.20151	14.2
386.20380	2.3
399.25424	1.5
400.22293	3.7
417.07861	2.4
417.22601	100.0
418.22794	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	417.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.0
71.01387	28.9
75.00857	4.3
77.14790	3.1
85.02956	4.5
101.02448	9.8
113.02457	6.8
114.49988	3.5
115.91969	3.6
116.71572	3.3
145.02988	3.5
192.14348	3.5
237.26872	3.3
255.23320	100.0
256.23636	9.8
269.24789	5.0
297.24228	9.2
309.24460	6.7
310.24792	4.2
340.15866	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47515	0.6
55.01876	1.7
57.03457	2.3
58.00597	0.9
59.01380	100.0
60.01712	1.2
61.98848	1.7
69.51657	1.7
69.52072	4.4
71.01383	36.7
72.01721	1.3
72.99317	1.2
73.02946	11.2
74.27311	0.7
75.00872	1.0
79.07644	0.8
81.03477	0.8
82.78685	0.7
83.01389	4.9
85.02951	15.5
87.00877	1.2
89.02444	9.7
89.02932	1.0
90.02802	0.8
95.01395	2.4
97.02954	1.3
98.19867	1.4
99.00894	4.9
100.14504	0.7
101.02444	22.8
101.03073	1.4
101.05706	0.7
106.62701	0.8
110.89136	0.7
111.08177	1.2
113.02454	14.0
113.03227	0.9
113.47009	0.7
119.03522	2.1
125.02470	1.8
131.03484	0.9
139.07645	10.4
140.71312	0.7
143.03528	2.6
149.04570	1.6
151.05112	0.9
159.03001	4.5
161.04558	40.6
162.04881	1.5
165.09265	2.5
179.05600	0.8
195.10321	2.7
283.22556	0.7
284.11987	0.9
285.12451	1.9
332.21393	0.8
357.15555	21.6
357.19849	1.5
358.16110	2.8
417.12155	1.0
417.17435	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03451	6.0
58.00580	2.5
59.01382	28.4
60.01694	0.8
61.98833	2.0
71.01388	30.4
71.63508	1.0
72.01709	1.0
72.99297	2.2
73.02950	16.8
75.00871	0.9
83.01383	4.7
85.02961	16.2
87.00872	1.9
87.04498	3.6
89.02449	10.1
89.46803	0.6
95.01376	2.7
97.02962	1.4
97.06577	1.3
98.59696	0.9
99.00874	3.1
99.04573	0.9
101.02449	21.1
109.06622	0.7
111.00864	0.8
111.08141	0.8
113.02467	11.1
119.03513	3.9
123.08121	2.1
125.02378	0.7
139.11336	0.9
141.09154	1.1
141.12854	1.1
143.03555	0.8
151.11272	0.7
153.09181	1.7
159.02945	1.7
160.38249	0.7
161.04544	4.7
163.11212	1.1
164.11353	0.8
169.12320	1.0
173.11633	0.7
175.14911	0.8
177.01889	0.8
181.12349	7.9
187.13327	1.2
195.80843	0.7
199.13487	1.2
211.03836	0.7
217.14339	1.2
225.11330	3.7
227.03545	6.9
228.13675	1.0
234.82037	0.7
237.14996	1.5
240.04205	1.4
255.03006	7.5
255.16040	3.7
256.03601	1.2
267.03427	0.7
284.03204	6.2
285.03970	5.0
327.13553	1.1
357.26569	10.2
358.26611	1.5
387.27304	1.1
389.29065	22.1
390.29388	3.1
417.08752	8.0
417.21225	100.0
418.21555	13.6
418.27432	0.9
418.29318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03452	0.7
58.00624	0.3
59.01379	6.5
61.98822	2.6
63.51689	0.3
68.87068	0.4
71.01383	13.9
71.62171	0.6
72.99331	0.6
73.02956	4.7
74.99105	1.5
83.01395	1.5
85.02951	4.8
87.00889	1.5
87.27831	0.3
89.02440	3.9
93.03471	0.5
95.01424	0.7
97.02968	0.8
99.00872	1.8
99.92509	0.3
101.02444	7.6
101.66363	0.3
103.04033	0.8
109.02955	1.7
113.02453	4.4
115.03996	0.6
119.03489	1.3
120.99651	0.7
121.02953	22.5
122.03224	0.9
123.04536	0.6
124.01658	1.1
125.02441	2.9
129.01958	0.5
133.05080	3.7
135.04549	2.6
136.99158	1.3
137.02434	0.9
143.03496	0.9
149.99579	1.2
151.00610	1.0
151.07564	0.4
157.05121	0.9
158.98363	0.3
159.02977	1.3
161.04555	7.7
163.07581	0.4
166.06349	100.0
167.06709	5.9
168.00644	3.5
169.01392	0.4
181.08701	86.2
182.09033	4.9
200.74361	0.4
235.08203	3.1
340.43735	0.4
359.98251	0.4
417.10956	4.5
417.17657	1.6
418.11526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1558
Annotation	Syringaresinol
Peak:m/z	Relative Intensity
59.01387	4.0
60.81086	0.8
61.98823	2.7
67.01888	1.2
69.42996	4.8
69.43404	1.6
71.01383	2.4
75.00874	0.8
78.22847	0.7
83.01391	2.5
85.02975	1.0
89.02438	1.1
93.03456	1.9
95.01360	1.0
97.02940	1.6
99.00878	1.0
108.02219	0.8
109.02937	2.6
111.00872	3.4
112.98827	1.2
119.03480	1.0
119.05030	5.2
121.02134	1.4
121.02969	24.2
121.06614	1.1
122.03265	0.9
123.00891	5.9
123.04444	0.9
124.01689	4.9
125.02475	2.1
127.00384	3.6
129.80661	0.8
136.98813	2.6
137.02457	6.1
137.99599	0.8
138.03246	3.0
139.00389	14.8
139.03998	7.3
141.01915	0.9
144.90926	0.7
147.04538	0.9
149.02444	3.3
149.06047	2.3
150.03200	2.1
151.00327	1.8
151.03992	1.2
152.01126	2.8
152.04727	0.8
153.01945	9.8
153.05594	1.8
154.02695	3.3
159.04512	3.1
160.01753	0.8
161.06125	1.2
162.03265	2.1
163.04027	5.9
165.01938	2.9
165.05528	0.7
166.02698	4.1
167.03464	2.4
168.04272	3.0
173.06061	1.1
173.12009	0.8
175.04007	2.3
176.04849	4.4
177.01999	3.8
177.05548	2.6
178.02730	18.5
179.03500	1.7
181.05086	3.6
187.03903	0.9
188.04890	0.8
189.05502	0.9
191.03453	1.3
191.07162	2.2
192.04259	3.4
193.05074	20.6
194.05449	1.0
202.02841	1.3
203.03484	2.3
205.05136	3.5
206.05779	1.8
207.06599	3.3
209.04585	3.4
217.05098	2.7
218.05852	2.3
219.06627	2.0
221.08144	1.4
227.03487	3.2
227.07201	1.0
232.07356	3.5
233.08154	1.9
234.58804	0.7
243.06528	1.6
255.02991	2.6
255.06668	0.8
257.08170	0.9
267.06558	1.8
271.05893	0.9
283.06207	1.3
284.03210	2.0
285.04715	1.0
285.07635	4.2
286.08377	1.5
287.05655	2.5
298.08530	1.3
299.05698	1.2
314.08044	1.2
317.34598	0.9
327.04889	1.0
329.06662	2.8
329.10196	1.7
357.09863	2.6
359.11301	3.3
360.11829	1.2
369.09869	3.0
372.12418	4.4
373.12637	1.1
384.12091	1.1
387.10706	26.0
387.14658	21.3
388.11139	2.8
388.15012	2.5
401.12271	1.3
402.13214	25.7
403.13574	3.4
417.08450	14.0
417.15536	100.0
418.08737	2.9
418.15970	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.85645	0.3
57.03452	0.3
59.01374	0.6
62.26377	0.3
69.34950	2.5
69.35349	0.6
74.99107	0.4
75.03149	0.3
82.63973	0.3
90.81686	0.3
93.03474	0.5
107.01387	0.9
109.02901	0.4
112.22879	0.3
119.64919	0.3
125.02443	0.3
132.02206	0.5
134.03729	0.3
135.00864	0.6
136.99089	0.3
143.05011	0.3
147.04546	0.4
148.04778	0.2
151.00389	1.5
153.01895	0.3
163.00409	0.6
165.01944	0.4
168.17447	0.3
171.04410	0.3
174.03204	0.4
174.13660	0.2
178.99881	0.4
183.04440	1.3
185.06104	0.4
187.03957	0.7
211.03954	2.1
213.05505	0.5
214.02689	0.3
218.67876	0.3
227.03494	73.7
228.03847	6.9
229.05038	1.7
239.03470	0.8
240.04115	0.3
255.02980	91.9
256.03506	16.1
257.04349	1.5
284.03256	83.1
285.03885	24.4
286.04419	1.8
327.05157	0.9
354.62012	0.3
417.08279	100.0
418.08612	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	417.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11205	0.5
55.01873	0.6
57.03434	1.0
58.00584	1.3
59.01382	22.7
61.98829	4.3
71.00989	0.8
71.01384	17.3
71.64984	0.5
72.99305	2.0
73.02958	2.4
74.99100	11.0
75.00900	0.5
77.25790	0.4
83.01387	1.5
83.05027	1.0
85.02957	4.0
87.00896	2.6
89.01901	1.0
89.02446	17.3
93.03455	5.6
95.01394	1.7
99.00883	1.4
101.02444	11.2
106.04214	0.7
107.05035	8.1
108.02185	0.8
108.05318	0.5
109.02954	1.2
113.02450	6.0
117.03457	0.9
119.03509	7.5
119.04985	2.8
121.02979	0.6
121.06596	1.2
123.00874	0.5
123.04541	0.5
124.68385	0.5
125.02470	1.6
130.04256	0.8
131.03519	1.0
131.04997	1.4
134.03743	55.0
135.04189	2.4
136.99155	8.8
137.02423	2.4
138.03207	0.6
143.03503	1.0
143.05049	2.2
145.02963	0.5
147.04521	23.8
148.05191	1.8
149.06084	26.4
150.06425	1.4
151.00365	2.7
152.01146	0.8
161.04572	2.0
161.06058	1.8
165.01869	0.9
166.02718	6.3
167.03357	0.6
177.01888	0.6
179.03439	0.8
179.05592	0.8
181.05074	10.1
182.34361	0.5
195.08093	0.7
210.60823	0.4
222.06851	2.4
223.07719	0.5
235.07727	2.7
236.08434	1.3
237.09209	25.9
238.09479	2.9
239.10826	1.6
240.77303	0.4
246.28236	0.5
255.10263	100.0
256.10617	10.3
265.10925	0.7
267.10663	1.6
287.68179	0.5
297.03928	0.7
311.11276	0.5
315.12308	0.4
329.10574	1.4
387.10889	2.0
388.11295	0.5
402.13254	1.1
417.16187	10.5
417.21017	1.4
418.15961	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02143	0.2
55.01887	0.6
57.03461	1.1
58.00602	3.3
59.01381	70.3
61.98832	25.1
61.99298	0.3
69.03462	0.8
71.01384	66.2
71.25259	0.2
71.61604	0.2
72.99313	3.9
73.02949	9.7
74.99106	1.5
75.00869	0.4
81.53606	0.2
83.01386	2.8
85.02953	9.9
87.00873	2.5
89.02447	100.0
93.03467	0.4
95.01412	0.7
97.02960	1.1
99.00884	1.8
99.04559	0.3
101.02448	44.8
103.04050	0.3
108.02184	2.4
109.03036	2.5
110.03308	0.5
111.00950	0.3
111.04531	0.2
113.02456	10.9
115.04027	0.4
117.97457	0.3
119.03500	7.0
120.99652	0.5
121.02922	0.4
122.07327	0.2
123.00886	0.5
124.01699	0.6
125.02463	3.4
131.03508	29.8
136.99155	1.4
137.02449	3.4
139.00626	0.2
139.03996	0.3
139.30887	0.2
143.03476	1.7
149.04556	79.5
149.99585	0.4
151.00667	0.6
152.01152	2.0
153.01556	1.6
154.02333	0.3
161.02489	0.4
161.04576	3.3
163.04039	0.4
164.30171	0.2
165.01878	0.4
166.06325	0.8
167.03409	0.4
168.00606	1.1
175.02492	0.4
175.03947	0.4
177.01932	0.3
179.03510	0.4
179.05681	0.3
181.08644	0.5
187.10907	0.5
188.05022	0.2
191.05618	13.3
207.03001	0.4
221.06569	0.3
251.07700	1.1
259.06009	0.3
267.05060	0.4
267.10666	0.2
281.08829	0.7
293.08743	1.5
295.23026	0.2
311.09808	3.4
316.07370	0.3
328.15030	0.4
329.10922	0.3
329.20547	0.2
343.13995	0.6
380.91724	0.2
398.11926	0.3
416.12717	3.6
417.08167	0.7
417.14011	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	416.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98832	100.0
62.98561	0.6
69.83395	3.8
71.01389	1.2
74.20827	0.6
74.72181	0.6
74.99113	6.0
75.00915	0.7
78.95918	0.8
86.16852	0.7
87.99942	0.6
89.02441	1.3
96.96986	0.8
101.02451	1.6
104.87995	0.9
106.87156	0.7
136.99130	4.9
146.73033	0.8
149.14026	0.9
152.01273	0.7
160.40198	0.8
196.58536	0.7
196.61168	0.7
279.12610	0.9
300.84174	0.8
309.40884	0.7
315.07202	1.0
337.26901	0.7
358.05261	0.7
403.09961	0.8
417.11136	0.9
417.28568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
59.01383	36.5
61.80033	0.6
61.98822	3.5
69.03461	1.1
69.33263	0.7
69.72282	4.2
71.01375	11.6
72.99310	0.9
73.02946	1.5
74.68301	0.7
81.08073	0.7
83.01376	1.2
83.05022	3.2
85.02952	2.2
87.00867	2.3
89.02439	10.2
95.01376	0.6
97.02953	1.5
99.00922	0.9
99.04543	0.9
101.02432	8.5
107.05052	3.4
108.28295	0.6
109.02956	1.6
109.06590	2.2
111.08195	0.8
113.02456	3.3
115.92086	1.8
119.03510	2.4
123.08210	0.8
125.02458	1.4
127.04048	0.7
133.06543	0.9
137.02530	0.8
137.06143	1.0
143.03563	1.7
147.04460	0.7
147.08142	2.1
149.06163	1.1
151.07619	3.6
161.04539	0.7
161.09740	0.9
163.03992	2.3
163.07666	1.2
165.09200	0.9
167.07198	0.9
173.09709	1.3
178.06425	1.6
179.05597	2.7
189.09181	4.7
191.10780	1.9
201.09091	1.2
201.12971	0.8
206.15904	0.8
207.13907	16.6
208.14265	1.5
215.10840	2.4
217.08675	0.8
221.06573	1.0
230.13098	1.3
231.13808	0.9
235.08151	1.4
247.15186	0.9
263.07669	0.7
265.19702	1.2
277.19492	1.6
295.20663	1.7
301.21799	1.3
311.23798	7.0
312.24017	1.1
327.23511	1.2
339.19461	3.5
353.24957	2.1
355.22858	5.2
355.28488	1.5
369.24341	0.9
371.22083	3.5
371.26236	4.8
372.26605	1.0
397.23932	6.3
398.24066	1.4
415.14474	10.8
415.24960	100.0
416.15359	1.4
416.25317	15.6
416.30386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39098	1.5
55.01894	1.9
57.03451	4.4
59.01385	18.8
61.98842	9.6
69.03500	1.9
69.55401	12.4
71.01407	4.9
71.05049	3.7
73.69726	1.6
79.05534	12.4
80.09470	1.7
81.03466	2.4
83.05038	17.1
91.89675	1.6
93.03468	2.0
95.05010	2.5
97.06588	2.3
99.04556	3.1
101.66280	1.6
107.05077	2.7
108.02202	2.1
109.02956	10.7
109.06689	1.6
111.04565	4.9
121.03009	4.5
123.04579	5.6
123.08194	4.1
125.06149	3.8
131.08725	2.2
135.08264	4.5
137.06145	4.2
137.09756	4.3
143.74916	1.8
145.06633	1.9
145.10278	1.7
147.11845	6.3
149.06107	2.4
149.09781	2.6
151.07664	4.3
161.09805	3.7
163.04071	2.1
163.07745	1.8
163.11372	2.8
164.04800	2.6
167.10936	2.2
169.12401	2.9
171.08279	2.2
173.09769	2.8
178.06454	2.8
187.07666	2.4
189.05681	2.3
189.09290	3.1
189.13002	3.0
191.10773	10.7
201.12910	7.3
203.10986	3.1
207.10403	7.7
207.13914	38.3
208.14313	2.5
217.08855	2.4
219.14014	4.1
230.09459	2.7
235.09724	13.5
241.19633	2.5
245.11873	10.7
246.12601	2.2
247.28685	1.6
251.12875	2.3
263.12943	3.4
279.09006	4.0
309.22900	2.1
309.26147	7.2
317.21173	11.7
318.21609	2.5
326.18976	4.2
327.23337	33.0
327.26733	2.0
328.23865	5.6
335.24081	2.3
341.17816	1.8
341.21259	9.5
341.24927	2.0
353.25165	7.2
354.25519	2.5
369.24573	6.9
371.22284	19.8
371.26242	35.5
372.22656	3.7
372.26724	5.6
381.24597	4.7
397.23734	12.8
415.25253	100.0
416.25455	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2491
Annotation	Gutierrezianolic acid 2-methylbutyrate
Peak:m/z	Relative Intensity
56.09619	0.9
56.33930	1.0
56.76434	0.9
57.03452	1.8
59.01388	7.9
61.98837	6.9
69.03489	1.1
70.10381	1.1
71.01392	3.6
71.63484	1.0
72.99313	18.9
73.02951	1.4
75.00877	1.2
82.82470	0.9
83.05050	2.5
89.02457	3.8
95.59665	1.1
97.02978	2.6
97.35912	0.9
98.07535	1.0
101.02438	3.4
121.02962	2.2
122.08231	1.0
123.04543	3.2
125.02454	1.8
137.09686	1.3
149.09787	1.0
150.28526	1.2
151.11266	1.7
153.12859	2.1
158.07364	1.2
173.09741	3.1
178.06339	1.1
185.13263	1.4
191.10771	3.9
199.07654	1.6
217.08707	2.0
235.09875	1.7
241.46533	1.1
243.13753	1.2
247.13417	1.7
260.45377	1.0
279.09033	1.2
285.24973	1.1
303.15985	1.1
317.21161	2.5
326.18900	1.5
341.21234	2.2
341.24921	2.8
369.24353	3.1
371.22122	4.3
371.25986	12.7
372.26370	3.2
415.06366	2.2
415.14783	4.7
415.24966	100.0
416.25198	17.5
416.29843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Dendroside A
Peak:m/z	Relative Intensity
55.01886	1.4
57.03463	2.0
58.00600	4.4
59.01382	100.0
60.01716	1.2
61.98829	0.9
69.40416	6.5
70.92982	0.7
71.01385	66.2
72.01726	2.7
72.99317	4.7
73.02953	4.8
83.01407	4.2
83.05081	0.9
84.02204	0.7
85.02959	13.1
87.00875	4.2
89.02449	96.1
90.02793	1.7
95.01407	4.1
97.02929	0.8
99.00912	1.4
100.60950	0.7
101.02451	41.0
102.02809	1.0
105.53277	0.8
113.02456	30.9
118.50056	0.8
119.03510	40.2
120.03867	1.0
125.02522	1.2
131.03506	3.4
137.02473	3.1
143.03513	9.0
149.04590	3.9
150.46445	0.7
161.04568	10.9
162.04991	0.7
179.05615	25.1
179.14470	2.7
180.06085	0.9
253.18077	8.0
343.47861	0.8
415.18015	1.8
415.23352	22.0
416.23804	3.1
416.85440	0.8
427.18051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
55.01890	2.9
57.03453	7.7
58.00593	1.6
59.01382	31.9
61.19089	0.6
61.98826	1.6
69.03438	0.8
71.01386	59.3
71.64219	0.8
72.01718	1.1
72.99297	2.6
73.02952	14.1
75.00863	0.8
81.03438	0.6
83.01392	6.2
83.05018	0.9
84.42175	0.5
85.02431	1.0
85.02951	21.0
87.00884	3.0
87.04510	2.2
89.02448	25.4
95.01393	5.0
97.02968	1.3
97.06584	0.5
98.03734	1.6
99.00895	5.7
101.02448	37.8
102.02803	1.1
109.06557	0.7
113.02454	25.9
119.03508	9.5
125.02440	2.2
131.03476	0.8
133.32762	0.5
137.02443	2.0
137.09709	0.8
143.03497	3.8
149.04492	0.5
149.09775	1.0
150.20586	0.5
159.02998	5.5
161.04559	35.5
162.04895	1.4
163.11383	0.5
179.05624	1.8
189.12860	5.6
190.13222	0.9
205.03505	1.1
205.15973	12.5
205.17891	0.8
205.45576	0.6
206.16267	1.0
207.17570	4.8
209.15443	1.0
217.15974	13.1
218.16338	1.4
223.17023	1.8
225.18594	3.2
233.15535	2.6
235.17038	74.8
236.17365	6.6
251.16597	0.7
253.18098	100.0
254.18445	11.2
355.24905	0.6
387.27588	1.0
415.06149	0.6
415.18546	0.8
415.23389	14.2
416.23703	1.9
427.88718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52209	1.0
54.70436	1.2
55.01868	3.7
56.13256	1.0
57.03447	4.4
58.00607	5.1
59.01382	100.0
60.01691	1.2
60.10558	1.2
60.99304	4.1
61.98820	2.4
68.81983	1.0
68.99789	1.6
69.03461	5.5
71.01384	79.0
71.05014	1.7
72.99312	6.4
73.02953	9.3
75.00845	1.4
79.05534	4.1
81.03462	3.0
83.01389	7.0
83.05028	5.4
85.02958	18.7
85.06557	1.2
87.00877	14.1
89.02448	87.7
89.44482	1.3
95.01389	5.6
95.05055	1.2
97.02956	9.1
97.06575	2.5
97.42594	1.1
99.00893	4.0
99.04527	2.9
100.52637	1.1
101.02448	62.6
102.02800	1.2
105.07064	1.1
109.02947	1.3
109.06620	1.4
111.00916	1.2
111.04511	2.3
111.08160	2.6
113.02454	29.9
114.34012	1.2
118.93392	1.0
119.03510	25.8
119.43469	0.9
121.02991	1.8
121.06557	2.0
122.03691	1.4
125.02448	12.7
125.06078	1.7
125.09716	2.9
127.03992	1.5
127.07572	1.0
127.80731	1.2
131.03485	4.1
133.06609	1.2
135.08150	1.5
137.06090	2.3
143.03491	11.1
145.02924	1.3
147.08165	1.8
149.02475	1.9
149.04530	2.6
149.06134	2.3
149.09723	1.6
151.07649	4.2
157.06573	1.3
161.04596	12.2
163.04082	1.9
173.09778	1.8
174.06851	2.1
175.11296	4.4
179.05614	25.3
185.04500	2.0
189.09187	1.5
191.10846	1.5
201.12827	1.2
207.10260	3.6
207.13901	18.9
219.05005	1.2
221.06702	6.1
235.08107	12.4
245.11758	2.0
251.14612	5.3
253.09283	10.2
263.07758	4.5
287.07712	2.1
295.24249	1.8
305.08685	1.8
317.22775	3.5
319.20642	3.2
326.18808	2.4
335.23758	24.1
336.24124	4.1
341.21161	2.8
349.21838	1.2
352.20575	1.5
353.24863	10.0
354.25168	1.3
369.24475	2.4
371.22067	1.7
371.25983	9.8
372.26410	1.8
397.23828	2.6
415.14600	84.2
415.25064	43.2
415.30206	1.7
416.15121	10.3
416.25439	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.5
59.01367	17.2
61.98826	10.1
64.10330	3.1
69.03521	3.6
70.16496	3.2
71.62903	3.6
73.18659	2.8
83.05040	3.1
83.32341	3.5
85.06573	3.6
110.84999	3.6
121.02964	4.4
137.09741	10.3
147.11800	9.4
149.06100	4.5
153.12865	5.0
163.04002	5.2
164.04765	6.0
173.09695	25.3
178.06326	3.1
191.10760	79.2
192.11108	6.1
217.08669	7.7
220.40982	3.2
235.09688	7.1
235.17047	4.8
241.12323	5.7
258.00269	4.3
327.19321	3.4
341.21149	9.6
369.24420	12.4
371.22205	100.0
372.22534	12.9
380.16705	4.6
397.23593	10.4
415.25037	64.7
416.25305	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	415.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
70.82047	1.0
74.99100	6.9
75.00861	1.2
77.00671	81.1
78.00593	0.5
78.01016	1.0
114.89955	0.5
121.06643	0.5
123.24445	0.5
132.84860	0.5
147.08163	2.4
149.09732	1.2
161.09737	1.6
163.11298	1.9
187.11311	3.1
192.07964	0.5
203.10718	0.5
219.96373	0.5
279.14215	0.7
280.14728	1.2
307.17242	1.0
309.22253	1.7
321.18765	0.9
333.24149	0.6
337.21741	100.0
338.22089	18.2
366.28238	0.5
415.14813	0.8
415.23517	13.9
415.30487	1.5
416.23840	2.2
416.31253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2124
Annotation	Atranone A
Peak:m/z	Relative Intensity
50.97790	3.1
51.56205	3.0
57.03439	7.8
59.01372	11.4
61.98839	7.1
69.03423	5.2
70.46638	6.6
70.47005	7.1
72.99311	6.6
81.03448	4.5
83.05018	6.4
93.61036	3.3
95.05019	8.5
96.96004	8.7
96.96970	4.3
99.92566	3.6
108.02163	9.7
112.03083	3.1
117.07130	3.9
121.02934	7.8
122.03751	3.4
123.04507	35.0
137.09720	35.8
137.10683	4.9
145.06596	3.7
145.10217	6.4
147.11745	13.1
149.02432	17.1
153.12878	29.5
157.06642	6.8
158.07346	15.7
161.06152	4.4
173.09711	82.6
174.09988	6.5
191.10777	61.6
197.11844	4.5
199.07538	4.7
207.13838	4.6
217.08662	29.3
235.09856	17.1
242.00316	3.4
245.11836	3.4
267.38965	3.5
279.08841	4.5
291.74490	3.5
303.16031	14.5
327.23203	9.8
350.18732	4.0
353.21201	3.8
355.87143	3.7
369.24463	7.1
371.22168	100.0
372.22577	13.1
415.20782	25.6
415.25729	56.8
416.20712	6.1
416.25333	13.7
416.30539	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	415.1609
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	6.9
57.03442	4.9
58.00595	1.7
59.01379	35.3
60.01728	0.5
61.98838	0.9
69.03455	1.3
69.32273	4.2
71.01382	83.6
72.01720	1.5
72.99308	3.2
73.02947	28.3
74.03285	0.9
75.00881	1.2
81.03436	1.3
83.01386	14.9
83.49557	0.5
84.01713	0.5
85.02950	39.9
86.00098	0.9
86.03314	0.9
87.00870	3.0
89.02444	11.6
95.01385	5.8
97.02946	2.9
99.00874	14.6
99.77359	0.5
101.02444	64.8
102.02794	1.7
111.00900	0.8
111.77736	0.5
113.02450	31.8
114.02813	1.2
115.03973	0.9
119.03471	0.6
119.05054	0.6
120.04875	0.5
125.02456	6.7
129.01949	1.8
131.03470	3.5
142.93584	0.5
143.03490	4.7
149.04570	1.7
159.02988	7.8
161.04559	54.6
162.04904	2.2
167.03470	0.7
205.03516	1.9
233.06645	1.4
253.07196	1.9
283.11859	100.0
284.12167	9.7
293.08673	0.8
415.16055	14.9
416.16647	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	415.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22429	1.3
54.04351	1.3
57.03453	4.1
57.50473	1.2
59.01390	5.0
60.16808	1.3
61.98835	33.7
61.99139	1.7
69.03472	1.4
69.59064	4.9
69.59491	4.4
71.01394	9.5
71.05051	4.0
79.05537	23.8
79.05952	1.7
83.05028	9.9
87.04559	1.9
89.02441	1.7
93.03474	2.0
95.05044	1.9
97.03000	2.2
97.06647	2.2
98.20627	1.7
107.05062	2.5
109.02943	20.8
109.06594	3.5
111.04565	6.5
111.08225	2.0
115.91401	1.4
115.92148	6.1
116.92909	1.5
121.02964	1.8
122.03768	2.0
123.08197	3.7
125.06091	2.2
135.04578	1.9
135.08238	4.5
137.06157	5.0
137.09732	3.0
142.69257	1.5
145.06573	1.5
145.10320	1.7
147.08209	2.3
149.06218	1.4
151.07707	4.4
153.12868	1.6
161.09790	2.2
163.04112	2.1
163.11166	1.4
171.08214	2.0
173.09798	6.5
189.09311	6.5
191.10869	3.2
201.12943	3.3
207.10370	17.7
207.13901	82.2
208.14394	6.1
213.16521	7.1
217.08865	4.1
245.12029	5.9
251.12991	5.1
273.22614	2.4
301.21695	1.6
309.22464	3.7
317.21268	5.6
326.19345	1.7
327.23288	86.6
328.23630	12.4
335.23965	3.3
353.24905	7.9
369.24570	2.6
371.22183	52.0
371.26053	6.7
372.22476	6.8
372.26797	2.0
397.23837	49.3
398.24188	6.8
413.23306	1.8
415.25269	100.0
416.25644	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	415.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00650	1.3
51.58590	1.4
57.03432	3.0
57.49233	1.3
59.01380	6.5
61.98836	31.8
69.03468	3.1
71.01390	11.5
71.05017	3.3
73.02956	1.9
79.05542	31.5
81.03436	1.3
83.05038	10.0
85.02959	2.5
85.06630	2.1
87.04535	2.8
93.03420	1.5
95.05038	2.5
97.02925	1.9
97.06575	1.4
99.04531	1.5
99.92616	3.8
104.30550	1.5
107.05029	3.0
109.02971	22.5
109.06606	3.5
111.04515	6.7
115.92114	7.0
115.92799	1.3
121.06631	2.5
123.04519	2.1
125.06091	3.2
126.52695	1.5
127.03988	3.1
127.16266	1.4
131.08604	1.6
133.10333	1.5
135.04587	2.0
135.08211	4.1
136.01733	1.4
136.05269	1.9
137.06067	4.9
137.09727	3.9
147.08147	2.6
147.11847	1.8
149.06012	3.0
151.07651	6.3
151.11320	2.6
153.12708	1.9
161.09749	3.7
163.04051	1.6
165.09230	2.1
169.08557	1.7
171.08240	1.7
173.09683	5.8
174.06882	3.1
189.09213	10.7
191.10794	2.6
201.12831	5.7
203.10735	2.6
207.10381	16.6
207.13914	96.6
208.10692	1.9
208.14240	8.8
213.16478	6.1
217.08647	3.9
219.13950	4.5
230.09471	1.6
245.11803	11.0
251.12874	6.4
309.22308	2.3
315.19727	2.3
317.21140	4.7
327.23303	77.1
328.23572	12.2
335.23752	3.5
341.21265	1.7
353.24945	10.5
354.25497	2.3
369.24301	5.7
371.22205	54.2
371.26083	5.0
372.22659	8.9
397.23856	56.8
398.24075	9.7
413.23459	2.2
415.12405	5.9
415.21033	19.2
415.25415	100.0
416.13507	1.4
416.25818	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	415.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
55.74371	1.2
57.03439	3.9
58.00589	4.4
59.01384	99.2
60.01704	1.2
61.98849	2.2
68.99790	1.3
69.03455	4.6
70.20053	4.7
70.20413	0.9
71.01385	77.2
71.05019	1.1
72.01722	3.0
72.99306	8.6
73.02950	8.1
75.00863	1.9
81.03458	3.7
83.01402	7.6
83.05009	2.1
85.02958	16.7
87.00871	14.3
89.02449	85.7
90.02764	1.5
91.04029	1.7
95.01379	3.8
97.02969	8.1
99.00874	4.4
99.04518	1.7
101.02451	59.6
101.24152	1.1
102.02789	1.9
109.02966	1.2
113.02456	25.3
114.02789	1.8
119.03503	27.2
120.65948	0.9
121.02975	1.6
125.02456	12.9
131.03505	4.1
135.04601	1.3
143.03508	11.2
149.04570	2.7
161.04605	13.2
179.05623	25.3
179.07170	1.8
185.04536	1.6
187.07535	1.5
221.06651	7.0
235.08228	12.1
253.09248	9.7
263.07779	6.0
284.09811	1.2
287.07703	2.1
305.08844	2.3
326.18893	1.7
341.21210	4.9
371.26010	2.0
397.23911	1.3
415.14594	100.0
415.25381	10.4
416.14899	9.9
416.25388	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	415.1611
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	1.7
56.26953	0.4
57.03453	2.6
58.00595	2.7
59.01380	79.6
60.01718	1.0
69.03445	1.3
69.94283	2.5
71.01383	75.4
72.01712	1.4
72.99309	2.8
73.02947	17.6
75.87865	0.4
81.03452	0.5
83.01384	3.9
85.02954	14.4
86.03287	0.6
87.00890	2.4
89.02445	100.0
90.02779	1.6
95.01412	2.4
97.02916	1.2
99.00886	12.2
101.02444	42.4
102.02775	1.1
109.02940	5.2
111.00933	0.7
113.02451	16.1
119.03504	9.7
125.02438	3.6
129.01767	0.4
131.03508	21.9
132.03793	0.8
143.03464	3.0
149.04555	43.5
150.04851	1.8
150.52928	0.4
159.02985	0.9
161.04565	10.8
179.05620	4.6
191.05618	11.4
192.05904	0.9
211.82498	0.5
221.06546	0.7
233.06670	0.6
251.07571	1.6
283.08856	0.7
283.11880	13.0
284.12119	1.0
289.07004	0.8
346.59171	0.5
353.76135	0.4
415.16083	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
58.00595	1.2
59.01381	10.9
59.93336	0.6
61.98826	1.7
62.08400	0.7
69.03462	3.8
69.49683	1.9
69.50108	2.7
71.01387	10.4
72.99332	0.8
73.02943	2.1
77.08736	0.6
79.01904	0.5
81.03452	2.1
83.01385	3.1
85.02960	3.1
85.71660	0.5
87.00911	0.9
89.02448	8.0
95.01393	2.0
97.02979	3.6
99.00877	0.7
101.02448	7.8
101.06089	3.6
107.01408	2.0
109.02923	1.3
113.02451	4.5
119.03516	3.1
123.00900	8.7
124.01669	20.4
125.02451	63.1
126.02789	2.4
129.83055	0.6
137.02414	3.5
141.07329	0.6
143.03464	0.8
149.99586	35.7
151.00394	3.4
152.39247	0.5
159.02992	0.9
159.72726	0.6
161.04575	3.3
165.01936	0.7
167.03477	1.1
168.00641	65.9
169.01289	6.5
179.05579	1.1
209.48560	0.5
253.18085	0.8
305.09302	0.5
313.05655	0.6
318.26144	0.7
340.98544	0.5
355.24844	0.7
360.14377	0.6
386.13870	0.6
397.11307	5.4
398.11539	0.7
415.12442	100.0
415.23541	4.0
416.12766	13.2
416.23886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03443	4.3
57.70375	1.1
58.00608	6.2
59.01385	100.0
60.99300	1.9
61.98835	5.4
69.03451	2.9
70.22708	2.6
70.23100	2.4
71.01389	76.2
71.05013	1.1
72.99307	9.0
73.02954	8.7
75.00889	2.4
77.12104	1.0
81.03472	3.9
83.01391	7.5
83.05036	4.1
85.02958	19.7
85.06612	1.9
87.00885	15.9
89.02452	85.3
89.15592	1.0
90.02805	1.8
91.04020	1.6
95.01403	4.1
97.02947	9.0
99.00909	3.2
99.04540	1.2
101.02448	61.0
102.02789	2.0
103.00451	1.1
109.71045	1.0
110.97225	1.1
111.08153	1.3
113.02464	29.4
119.03516	28.6
121.03028	1.5
123.04584	2.0
125.02454	14.2
125.09759	3.3
131.03505	3.7
133.06609	1.7
143.03519	11.5
149.04524	2.7
151.07642	3.5
161.04558	9.7
163.04128	1.8
163.81949	1.1
173.38463	1.1
175.11314	2.5
179.05621	26.2
180.06030	1.5
187.09790	2.8
191.10704	1.3
197.82751	1.3
201.13014	1.4
207.10364	1.7
207.13960	5.8
221.06644	5.0
235.08199	14.0
250.57957	1.2
251.14494	3.0
253.09338	10.9
263.07761	4.2
280.33365	1.3
287.07767	1.5
305.08975	2.2
309.25919	1.4
317.22897	1.3
323.10175	1.5
326.18744	2.2
327.23248	4.2
335.23776	12.0
341.21225	2.4
349.21768	1.6
353.24890	4.7
371.22256	2.2
371.25989	10.5
397.23560	1.5
413.23462	1.8
415.14621	90.5
415.25058	26.3
415.30249	1.7
416.14911	10.9
416.25461	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	413.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21772	0.5
55.81828	0.5
59.01384	36.5
63.58077	0.4
71.63307	0.7
75.00868	4.3
75.02416	0.5
76.53110	0.5
88.67963	0.5
99.44087	0.4
107.30535	0.5
127.08065	0.6
269.00128	0.5
293.28540	0.9
309.31580	1.0
333.31586	4.8
334.31686	0.6
335.29468	0.7
351.32693	27.2
352.32907	4.9
353.30597	63.9
354.30948	10.8
354.35297	0.6
355.28555	2.0
377.30518	0.6
395.31656	12.5
396.32028	1.4
413.32715	100.0
414.33032	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	414.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34043	0.7
54.50195	0.7
56.03926	0.8
56.88325	0.8
59.01383	7.9
61.98835	100.0
67.56610	0.7
71.01392	3.7
71.62327	1.0
71.62717	1.3
72.99318	1.5
73.02937	1.9
74.99095	1.9
85.02962	2.6
89.02448	4.0
95.01417	1.2
95.20821	0.8
96.96004	0.8
98.95599	2.3
101.02451	3.5
108.02189	13.5
109.02960	10.8
113.02435	1.8
119.03481	0.8
125.02438	1.1
135.04535	3.3
136.99139	2.2
152.01176	11.5
153.01897	4.3
155.18050	0.9
161.04584	1.5
165.01930	1.0
176.01152	5.5
177.01515	3.9
179.03513	1.1
191.03491	8.2
192.03847	8.2
235.09743	1.1
235.11800	2.0
236.12219	3.0
242.70865	0.8
315.07153	1.6
337.52246	0.8
357.08310	1.4
368.16394	2.3
397.11578	1.3
414.13373	8.9
415.12402	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	414.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65265	0.5
57.03458	0.5
59.01381	100.0
60.01717	1.1
61.98835	9.7
69.78158	1.5
69.78572	2.1
71.01389	10.5
72.99318	1.2
73.02962	1.0
74.99117	0.8
77.68941	0.6
85.02966	2.3
87.00879	1.1
89.02448	10.8
89.02987	0.7
90.48969	0.5
93.03473	3.9
97.20095	0.5
101.02435	5.9
108.02171	4.2
109.02950	2.8
113.02448	4.7
114.99689	0.9
115.00362	4.5
118.02992	5.2
119.03514	4.8
121.03000	0.7
131.03505	0.7
136.04044	48.6
136.99135	0.8
137.02441	2.8
137.04420	2.2
144.18085	0.6
146.06151	0.7
149.04642	0.6
152.01135	4.8
153.01965	1.2
153.03119	0.6
161.04581	2.4
164.07130	3.2
175.04047	0.7
177.04300	12.3
178.04707	1.0
179.05614	3.4
190.06412	3.2
192.06664	14.3
193.06955	1.4
205.08698	7.2
208.06149	4.6
209.06389	0.8
234.04184	1.3
239.27776	0.6
252.05109	7.6
357.08362	1.2
414.10361	13.5
415.12253	7.0
415.19891	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	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.5
59.01380	34.1
61.98837	25.3
66.01881	2.8
70.11319	3.5
71.01381	32.3
81.06837	2.7
83.05021	7.0
87.00846	3.1
89.02442	41.1
97.06600	3.1
98.87550	3.0
101.02444	7.2
104.92848	4.8
107.05001	3.1
113.02432	7.4
119.03547	3.5
121.06577	3.8
161.04572	4.5
161.09816	3.8
179.05640	7.5
187.11325	4.1
198.99345	3.3
201.12984	3.5
207.14040	5.0
215.10777	6.5
217.12372	2.8
233.11940	5.7
233.15469	100.0
234.15808	8.2
325.25375	12.4
333.22131	5.8
351.23148	5.1
369.24411	16.5
370.24707	4.7
395.22125	4.5
413.23352	55.4
413.32819	4.7
414.23776	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	413.2331
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
52.23784	0.7
55.73695	0.7
57.03439	1.9
58.41676	0.9
59.01378	3.3
61.98837	2.1
65.85436	0.7
68.99833	1.2
69.03460	1.3
69.46772	6.2
71.01386	1.1
71.04997	0.7
81.30821	0.6
83.05037	3.2
89.02480	1.3
92.13646	0.7
93.03474	1.4
95.05007	1.1
95.49805	0.6
97.06596	3.0
99.04569	1.3
104.92831	0.7
107.05056	0.8
109.02962	0.8
117.07069	1.0
121.06607	3.3
133.06554	1.0
135.04509	2.8
135.08118	1.5
137.06097	1.1
149.06107	1.5
149.09700	1.2
171.08138	1.0
175.07645	0.9
175.89941	0.6
183.08153	0.8
185.09702	1.1
187.07619	2.1
187.11345	1.0
189.12941	1.2
197.09811	0.8
200.08357	1.1
205.12306	0.8
213.09178	1.0
215.10741	1.4
217.12314	1.3
233.15433	1.3
249.12843	9.2
250.13220	1.5
254.13144	1.8
255.17513	2.5
257.19025	1.5
263.00729	0.6
277.10800	2.8
283.16873	1.0
309.22333	0.8
318.19873	2.0
323.20316	0.8
325.25412	2.6
333.22244	5.2
334.22418	1.0
351.23230	3.9
352.23462	1.0
369.24164	4.4
370.24396	1.6
395.22299	1.3
413.23328	100.0
414.23651	19.2
414.29138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98844	1.8
70.26904	4.1
70.27287	3.5
73.22917	1.4
77.68215	1.5
89.04046	1.8
93.16876	1.5
103.99986	1.7
110.92139	1.4
111.01774	1.4
159.17345	1.5
287.60623	1.9
356.38702	1.7
413.36734	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18844	1.0
52.17098	1.1
53.84209	1.3
58.96488	1.1
59.01384	100.0
60.01719	1.3
71.31544	2.7
77.13784	1.2
387.81503	1.2
413.36545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
71.63219	1.0
75.07527	0.6
76.61301	0.8
79.80837	0.6
85.88200	0.6
94.49849	0.6
103.22080	0.6
140.10573	0.6
156.75027	0.7
177.96815	0.6
201.01169	0.6
321.31421	0.9
323.33365	0.8
333.31726	2.8
351.32693	18.8
352.33032	3.8
367.32184	36.1
368.32462	4.9
395.31613	1.6
413.32724	100.0
414.33044	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	413.109
Annotation	Futalosine
Peak:m/z	Relative Intensity
53.25668	0.5
55.01879	0.6
57.03451	0.6
59.01385	6.0
61.98823	2.3
62.19542	0.5
64.43441	0.5
69.03454	5.1
69.42121	4.4
69.42513	1.0
71.01384	7.7
73.02938	2.2
74.99094	0.5
75.09688	0.5
81.03456	1.4
83.01375	2.8
85.02952	2.0
87.00879	0.5
87.05623	0.9
89.02455	3.0
95.01382	2.1
97.02950	4.1
99.00903	0.6
99.04498	2.4
101.02450	5.4
107.01396	2.1
108.02199	1.5
109.02945	2.6
111.00880	0.7
113.02420	3.2
116.05069	2.0
119.03512	1.4
121.02951	0.6
123.00056	0.9
123.00875	7.7
124.01669	21.8
125.02449	76.2
126.02801	3.4
129.06682	0.7
130.08762	1.5
131.03465	0.5
131.40126	0.5
137.02443	2.1
149.02423	0.5
149.99586	38.8
151.00331	2.7
160.04019	1.8
161.04517	2.6
167.03413	0.8
168.00639	70.9
169.01300	6.5
221.96208	0.5
304.08252	2.5
313.05835	1.1
331.06735	0.8
395.09793	4.8
396.10522	1.1
413.10880	100.0
414.11353	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44015	1.6
55.01857	2.3
56.31489	1.6
57.03442	1.9
58.85476	1.9
59.01390	31.1
61.98833	4.4
69.54328	11.9
69.54723	3.6
71.01389	26.5
73.02949	10.6
74.08144	2.1
79.57137	1.7
83.01389	4.8
84.24094	1.6
85.02941	15.9
89.02429	5.0
91.69901	1.6
95.01332	2.0
99.00862	2.6
101.02444	29.5
113.02457	12.9
131.03481	1.7
161.04582	13.1
221.10316	100.0
222.10641	7.5
318.26355	1.8
353.14575	56.4
354.14810	5.8
383.50500	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	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
59.01389	4.2
61.98833	100.0
64.21629	0.8
69.10058	0.8
69.35405	8.6
71.01379	3.1
73.02943	1.3
74.28082	0.8
83.01404	1.4
85.02959	1.5
89.02454	1.9
89.52222	0.9
93.52440	0.9
101.02438	2.3
108.02181	10.0
109.02962	5.6
115.04034	1.7
125.02428	3.1
128.11282	0.8
149.02422	2.9
150.02783	1.2
152.01158	7.7
153.01898	2.6
161.04700	0.9
189.55527	0.8
192.08557	0.8
192.10822	0.9
233.52919	1.0
262.92221	0.9
278.68973	0.9
286.04135	1.9
376.33578	1.0
412.03378	1.1
412.07700	11.8
412.12692	1.6
413.10742	9.7
413.18503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47828	0.3
57.03453	1.6
59.01383	2.8
67.01896	2.4
68.19852	0.3
69.32871	0.5
69.33280	2.3
71.01389	2.0
78.95921	0.6
83.01381	0.8
85.02962	1.4
87.00879	5.3
89.02445	2.6
96.96021	1.8
96.96973	0.7
98.20612	0.7
101.02457	1.4
108.02150	0.3
111.00886	100.0
112.01230	3.3
112.76770	0.3
113.02461	0.7
119.03522	0.9
129.01932	0.4
131.03502	0.3
148.29890	0.2
154.99876	0.8
173.00917	14.8
174.01338	0.6
179.05563	0.7
191.01974	3.1
315.07269	0.5
323.06235	0.3
341.10858	0.6
413.09283	4.5
413.13849	0.3
414.09760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19222	0.7
57.03441	2.0
59.01381	28.7
60.05532	0.5
61.98837	6.5
64.12720	0.6
71.01385	5.5
71.62244	0.6
73.02947	1.0
74.99110	1.5
75.00883	1.0
83.01384	1.1
85.02959	1.8
87.00871	1.9
88.98783	0.9
89.02461	1.5
96.96045	0.7
98.95612	1.8
101.02422	3.8
104.02679	4.8
108.02219	1.0
109.02957	1.3
111.00885	1.2
113.02480	1.7
119.03520	1.1
121.20806	0.7
125.02456	10.8
126.02805	0.8
132.33429	0.6
134.03836	0.6
135.04532	1.8
136.03990	0.6
136.04968	1.1
136.99149	1.3
138.05620	0.8
139.00406	1.1
148.01646	8.8
152.01157	1.6
153.01958	2.3
154.02792	1.0
161.02478	1.6
161.04524	1.7
163.04088	1.1
165.05510	0.6
169.05066	1.3
175.99533	1.4
176.01146	79.6
177.01537	5.7
191.03500	100.0
192.03816	7.8
195.71835	0.7
235.11818	4.8
250.10802	1.0
251.11261	1.4
261.04056	0.7
367.16205	3.1
413.03030	0.8
413.07974	1.2
413.13364	9.3
413.18512	1.4
414.13760	1.1
414.21548	1.0
425.89365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11967	0.7
52.38854	0.6
55.01876	6.8
57.03445	6.9
58.00593	1.8
59.01380	37.1
60.01702	0.7
61.98828	2.8
69.03448	1.5
69.74299	4.3
71.01385	66.4
71.05027	1.0
72.01739	1.2
72.99312	2.7
73.02951	27.0
74.03300	0.9
75.00877	1.0
83.01390	16.2
85.02954	35.4
86.00089	1.0
87.00436	0.7
87.00858	3.4
89.02447	10.4
94.07948	0.6
95.01385	5.2
96.96018	1.7
97.02943	2.0
99.00883	13.3
101.02445	64.0
102.02765	1.0
109.02917	1.3
111.00913	1.9
113.02450	23.5
114.02777	0.9
115.04035	1.2
125.02451	6.9
129.01953	1.4
131.03502	2.3
140.95741	0.6
143.03494	3.8
149.02470	3.6
149.04573	1.4
159.02986	5.3
161.04555	33.6
162.04831	1.1
202.13226	0.7
233.06792	1.2
279.14481	100.0
280.14856	9.9
285.03979	1.2
411.07462	12.1
411.13324	3.3
411.18686	28.6
412.07623	2.4
412.19098	3.2
434.61090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.5
59.01386	55.1
61.98830	91.9
62.62915	4.7
71.01385	22.9
71.65102	7.1
76.18118	5.1
83.01395	5.9
85.02953	12.6
87.00869	7.9
89.02452	21.3
91.32717	3.9
95.01381	5.7
96.96009	7.9
101.02456	22.8
113.02458	16.2
119.03526	9.1
125.02433	9.2
146.25313	4.9
208.35977	4.6
231.13881	19.3
245.04401	8.1
249.14923	33.4
273.04022	6.7
411.07263	11.3
411.20392	100.0
412.20377	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.59084	1.2
61.66678	1.3
141.09200	3.6
180.02644	1.1
203.11012	1.1
222.73613	1.2
287.22113	1.9
322.68854	1.4
325.59882	1.3
411.31189	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.08065	2.3
71.45717	2.3
76.19982	2.1
78.95883	3.5
108.61949	2.3
117.23764	2.1
126.73934	2.5
152.99557	4.7
206.94897	2.6
218.00217	2.7
251.23680	3.8
314.44376	2.8
411.30963	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	411.133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94318	0.4
57.03180	0.6
57.03449	10.0
59.01092	0.6
59.01380	11.4
69.03424	0.4
71.01382	5.2
71.60339	0.4
72.99295	0.5
73.02943	2.1
78.95905	2.2
79.95736	4.2
83.01373	0.8
85.02953	2.4
87.00891	0.4
89.02431	2.8
92.17329	0.4
95.95246	0.8
96.96011	35.7
96.96927	4.6
99.00887	1.0
99.04518	8.1
101.02448	6.5
105.05566	0.6
111.00893	0.6
113.01776	0.4
113.02447	2.2
118.05093	1.0
119.03500	1.1
122.97577	13.1
125.02451	4.9
129.61430	0.4
137.22058	0.4
143.03499	0.9
144.06676	1.3
159.03004	0.5
161.04500	2.3
231.06947	18.9
232.07222	1.5
249.09937	2.6
267.10840	10.8
268.11130	0.8
291.09106	1.4
309.11929	2.6
309.74323	0.4
349.15222	0.6
352.90579	0.5
411.13312	100.0
412.13586	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	411.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45632	0.3
59.01378	2.7
61.98833	1.4
69.86182	1.6
71.01376	1.0
78.38657	0.3
79.95736	4.3
80.07217	0.4
80.96507	0.4
85.02946	0.4
89.02444	0.7
95.95230	1.1
96.96014	39.2
98.20501	0.6
101.02431	0.7
122.97588	11.9
134.34663	0.3
231.06963	21.3
232.07277	1.6
241.11078	0.3
247.06377	0.5
249.08061	1.0
270.58075	0.3
278.65048	0.3
291.09265	1.7
411.13297	100.0
412.13626	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	411.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
58.00571	0.4
58.59938	0.3
59.01385	12.6
59.63564	0.3
60.01715	0.3
61.98830	2.8
69.82635	1.8
71.01380	6.4
72.99313	0.5
78.02205	0.3
79.95768	1.5
80.96519	0.4
83.01388	0.5
85.02950	1.5
85.06591	1.1
87.00890	0.6
87.04520	0.5
89.02447	5.6
92.49691	0.3
95.01409	0.5
95.95224	0.5
96.96016	21.0
98.19976	0.4
101.02459	4.0
113.02456	1.8
116.95977	0.3
118.94084	0.3
119.03474	2.1
122.97578	2.6
125.02441	0.5
135.04517	1.1
138.97058	0.9
149.02417	0.4
153.01971	0.5
189.07648	0.6
231.06937	5.5
232.07368	0.3
249.08038	1.0
250.10847	0.6
253.55701	0.4
279.14594	0.5
291.09070	0.6
411.13278	100.0
412.13559	11.1
430.65335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12213	0.5
55.63838	0.6
59.01384	5.0
60.15993	0.5
61.98836	100.0
69.64240	2.6
69.64644	1.2
71.01396	2.3
85.02983	0.8
89.02473	0.6
96.59949	0.5
96.96036	0.8
101.02478	2.3
148.10767	0.6
161.04674	0.8
165.05533	0.7
220.99190	0.6
231.07060	0.8
359.01154	0.6
362.13477	0.7
411.08334	0.6
411.13638	2.4
411.18774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01384	9.6
61.98832	100.0
71.01379	3.7
71.17981	1.1
73.02966	0.7
83.01405	0.7
85.02931	0.6
87.00892	0.8
89.02455	2.1
90.02775	0.6
96.96029	1.5
101.02454	3.1
109.02983	1.4
113.02497	1.3
114.02816	0.9
115.42839	0.6
119.03513	0.7
120.99684	0.9
125.02454	3.0
149.02486	2.6
153.02003	0.6
161.04604	0.8
171.04462	0.8
179.05695	0.9
189.05655	0.6
199.54401	0.6
217.05219	0.9
285.04092	1.5
285.12650	0.6
350.19006	0.9
363.75339	0.6
408.75110	0.6
409.64774	0.5
410.08578	0.8
410.17593	0.6
411.07358	8.6
411.13440	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	411.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27679	6.7
57.03453	68.2
57.27264	6.9
58.45012	7.4
59.01383	98.7
61.98847	13.2
70.76640	17.1
71.01386	50.1
73.02931	17.2
78.95936	10.3
83.01394	8.9
85.02942	12.6
87.00887	14.4
89.02447	22.6
94.00726	8.4
96.96006	21.3
96.96994	12.7
99.04531	55.3
101.02454	61.1
109.02958	9.4
111.58481	7.6
113.02475	20.6
119.03458	7.5
125.02496	39.9
131.86220	7.0
149.02455	31.4
150.03255	47.0
161.04553	25.4
165.05568	100.0
195.06654	45.5
196.17549	7.0
216.02412	8.0
231.07037	16.0
249.09750	21.5
267.10910	59.2
309.12027	16.7
327.10767	47.3
411.13824	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12561	0.7
51.92131	0.6
57.03436	0.9
59.01380	6.2
60.01695	0.6
61.98833	100.0
71.01380	3.8
73.02965	1.4
83.01415	1.2
85.02975	1.2
89.02444	1.7
95.01380	0.9
96.96014	1.1
97.02961	0.8
101.02437	4.5
102.02753	0.9
113.02507	0.8
113.62526	0.8
119.03495	0.8
120.99684	2.2
125.02457	1.9
125.09751	0.9
126.10122	0.8
161.04521	1.2
188.10165	1.6
231.10321	1.2
231.13850	1.6
245.04489	0.7
272.03195	1.0
356.69394	0.8
384.46136	0.7
411.07367	1.9
411.13321	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01379	11.0
60.01724	0.7
61.98830	100.0
64.15788	0.6
64.97633	0.8
65.32570	0.7
70.94812	1.3
71.01392	4.5
72.00928	0.8
73.02930	1.2
73.24623	0.7
79.95751	1.9
81.34171	0.7
85.02966	2.5
89.02438	3.7
90.92330	0.7
95.01374	0.7
96.96011	25.2
100.62386	0.6
101.02444	3.6
113.02446	1.6
114.66000	0.6
118.05151	3.3
122.97597	8.8
125.02476	1.0
140.63625	0.8
149.02521	1.3
150.09259	0.7
161.04578	1.7
189.07722	0.9
231.06946	13.7
237.40482	0.7
259.55991	0.8
279.14392	0.8
285.03983	0.8
291.09143	1.0
334.34930	0.7
345.08432	0.7
411.07755	3.5
411.13266	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30632	0.4
55.01880	5.4
55.77795	0.4
55.80381	0.3
57.03455	3.9
58.00587	1.3
58.58286	0.3
59.01381	27.0
59.50270	0.3
60.99306	0.4
61.98835	0.7
68.99805	0.6
69.03455	4.2
71.01386	42.2
71.63871	0.5
72.01705	0.7
72.99303	1.6
73.02951	19.1
75.00888	1.0
81.03439	0.3
83.01391	11.7
85.02955	25.9
86.00112	1.4
86.03283	0.8
87.00874	2.5
89.02454	6.8
95.01396	3.0
97.02957	2.8
98.83093	0.4
99.00887	8.5
101.02447	47.5
102.02790	1.6
111.00882	1.4
113.02459	17.0
113.09750	0.8
114.02804	0.6
115.11289	0.6
125.02482	2.0
129.01915	0.8
130.28410	0.4
131.03510	1.1
140.06119	0.4
141.01979	0.8
143.03516	2.8
149.04549	0.9
159.03033	3.8
161.03220	0.9
161.04567	18.1
162.04929	0.6
164.04739	0.6
164.71304	0.4
185.00908	1.3
185.11908	0.5
191.05710	0.4
203.01869	0.4
205.03537	0.9
215.05618	0.4
233.06700	0.5
238.48323	0.4
243.03027	0.4
277.16559	100.0
278.16904	9.5
321.15558	0.9
409.15381	0.7
409.20807	13.1
410.21118	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2363
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.82341	0.2
62.96423	0.4
69.91519	1.2
78.95910	72.5
81.92063	0.3
96.80297	0.2
96.96972	7.1
150.98019	1.7
152.99599	100.0
153.99969	1.7
171.00659	2.9
206.87294	0.3
227.14859	0.2
241.21704	0.3
255.23306	2.3
409.23605	10.9
410.23926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96685	0.2
55.80056	0.2
60.59427	0.2
61.40747	0.2
62.96382	0.3
65.00375	0.2
78.95905	69.9
83.16121	0.3
89.87712	0.3
96.96964	5.0
101.27694	0.2
150.98019	1.7
152.99586	100.0
153.99936	2.1
171.00629	2.6
255.23227	2.3
256.23605	0.3
409.23566	12.9
410.23895	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
70.93587	0.5
74.96356	0.3
78.95903	72.2
96.96967	5.5
111.42740	0.2
125.29064	0.2
150.98016	1.9
152.99585	100.0
153.99927	2.1
171.00633	2.8
173.90921	0.2
204.98396	0.2
215.18898	0.2
255.23341	1.9
356.88596	0.2
370.27017	0.2
409.23593	12.6
410.23862	2.0
426.72189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.6
58.00607	2.6
59.01384	59.2
69.50551	19.3
71.01388	40.9
72.01675	2.1
72.99307	3.3
73.02937	11.1
75.00880	11.2
78.95925	6.2
79.15504	2.3
84.02174	2.2
84.64184	2.2
85.02951	28.3
87.00880	2.8
89.02455	15.6
89.53385	2.4
97.06598	3.2
98.20640	4.5
104.65504	2.1
113.02460	19.8
113.51839	2.6
117.01940	5.8
131.03497	6.7
139.07678	2.7
144.90904	2.2
149.06078	7.4
152.88425	2.6
152.99634	3.8
182.93474	2.3
222.56288	2.3
232.17361	2.5
250.13110	2.6
273.22278	8.3
277.21744	100.0
278.22101	19.0
289.21811	3.9
291.23233	22.1
292.23596	3.6
301.21677	18.2
302.22177	3.8
303.23291	6.2
319.22766	22.7
320.23157	5.3
331.22812	35.6
332.23010	4.0
349.23679	11.1
356.98831	2.8
409.16919	4.1
409.25674	4.8
417.36694	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60421	0.6
55.01869	0.9
57.03447	1.1
58.00604	0.9
59.01382	100.0
59.12321	0.6
60.01706	1.8
61.98829	4.2
70.07169	2.5
71.01383	15.0
73.02966	2.2
77.32222	0.8
83.01392	1.2
85.02956	5.9
89.02451	10.6
95.01409	0.9
99.00900	1.1
100.44482	0.7
101.02447	10.6
113.02445	6.1
119.03544	4.1
143.03485	1.7
145.26146	0.8
149.02466	1.3
149.04543	0.9
150.03247	2.3
155.03058	0.8
159.03036	1.3
161.04568	7.7
165.05553	3.4
177.23906	0.7
179.05629	3.9
195.06659	0.8
349.18668	28.2
349.22858	1.4
350.19101	2.6
361.12878	2.0
393.17651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97219	0.3
55.01647	0.4
55.01889	4.2
57.03450	2.8
57.71534	0.3
58.00598	1.2
58.32473	0.3
59.01384	26.4
60.01709	0.5
61.98830	1.2
69.03467	1.0
69.42992	2.6
71.01388	41.4
72.01737	0.8
72.99321	2.3
73.02956	17.9
75.00893	0.8
80.77528	0.4
83.01395	10.8
85.02958	23.9
86.00094	1.1
86.03297	1.0
87.00870	1.8
89.02453	6.4
90.87339	0.3
95.01411	2.3
96.96037	0.5
97.02961	1.9
98.19867	0.6
99.00891	7.5
100.01199	0.3
101.02451	44.3
102.02779	1.1
111.00893	1.5
113.02458	18.6
113.09743	0.7
114.02790	0.7
115.11340	0.6
125.02462	1.5
129.01962	1.4
131.03523	1.2
143.03508	1.7
144.83257	0.3
149.04547	0.4
159.03018	3.6
161.04570	19.1
162.04854	0.6
164.04836	0.7
165.05116	0.4
185.11856	0.4
205.03572	0.6
208.16521	0.3
233.06677	0.5
277.16574	100.0
278.16885	9.4
321.15500	0.7
360.81802	0.3
407.45197	0.4
409.20898	8.7
410.21011	1.1
420.95248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.52456	0.9
57.03449	68.1
57.46267	0.9
58.03774	1.0
59.01381	100.0
60.01707	1.1
60.34290	1.0
61.98822	3.9
62.90546	1.0
65.08450	1.0
69.28948	11.0
71.01388	27.4
73.02947	7.9
75.00884	1.2
81.03455	1.7
83.01380	4.3
83.66203	1.1
85.02958	10.7
87.00892	1.5
89.02442	13.7
90.81537	1.2
95.01373	1.9
95.05004	1.0
97.02920	1.3
97.06592	2.2
99.00883	3.2
99.04523	51.6
100.04874	2.8
101.02448	36.4
101.08332	1.0
102.02787	2.1
111.62263	1.0
113.02463	12.7
119.03477	4.9
125.02447	30.6
134.03618	1.8
143.03477	3.0
159.02991	3.1
159.06631	1.8
161.02420	1.7
161.04575	17.7
179.05606	2.9
247.11774	3.4
259.07199	1.1
265.12918	36.5
266.13251	1.6
305.12604	1.2
307.14023	6.6
349.11496	4.4
349.18674	12.6
350.19180	1.9
409.16855	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	409.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	19.9
59.01381	100.0
60.22239	17.5
61.98831	16.0
69.03447	27.9
71.01386	76.4
73.02964	19.3
85.02931	45.6
89.02446	37.8
97.02938	29.2
98.20723	32.0
101.02455	85.3
113.02441	35.8
137.02443	29.9
141.02013	20.2
145.02937	40.7
161.04495	37.7
162.21893	19.3
168.96404	20.0
203.02112	20.9
230.37187	24.7
263.15060	97.2
325.80045	19.3
409.20724	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	409.2
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51152	14.4
59.01376	100.0
61.98829	87.2
69.01300	13.2
69.02387	13.6
71.01379	29.4
73.23390	13.6
85.02945	16.9
101.02404	23.9
101.06119	18.5
106.49123	14.7
108.02191	40.9
133.63315	14.1
152.01208	17.9
165.98566	13.7
202.16934	17.6
259.80508	15.6
261.14990	18.9
271.45657	15.5
332.11221	15.7
341.48367	17.7
409.19055	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	407.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.23976	12.6
61.98841	27.5
62.32993	13.1
71.01373	16.3
71.30812	24.6
71.31153	22.2
72.99346	18.8
78.95928	21.5
84.02129	12.9
98.19907	15.4
112.89376	14.6
115.46312	14.3
125.09660	14.8
182.73595	13.3
188.83760	15.6
255.02980	24.0
320.38129	17.3
330.37317	14.8
347.17163	24.5
363.19556	27.6
407.07700	43.5
407.19302	25.0
407.24115	53.1
407.28085	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03449	2.2
57.09069	0.5
58.00599	4.2
59.01381	100.0
60.01715	1.9
61.98829	3.7
69.03461	0.6
69.51688	2.9
69.66280	0.5
69.96953	0.5
71.01385	55.1
71.49419	0.5
72.01730	0.9
72.99312	4.2
73.02948	4.0
75.00875	0.5
82.02988	0.5
83.01393	3.0
85.02956	12.2
87.00888	2.6
88.52857	0.5
89.02446	65.3
90.02795	1.3
95.01395	4.0
97.02969	0.8
97.06591	0.7
99.00866	1.7
99.04540	0.7
101.02448	34.4
102.02776	1.2
109.02945	1.9
113.02452	22.4
114.02777	1.2
119.03506	27.4
120.03790	0.9
120.75417	0.6
122.61643	0.5
123.04532	2.1
124.12315	0.5
125.02444	1.6
128.03497	0.6
131.03465	3.7
135.98421	0.5
139.07709	0.6
141.09250	2.6
143.03522	4.1
143.04561	0.9
149.04582	2.0
151.04053	1.0
159.02948	0.6
161.04562	10.7
168.63100	0.5
173.41264	0.5
175.03972	0.7
179.05626	11.5
180.05981	0.5
183.04517	0.6
187.03983	0.9
199.04004	1.6
211.04044	1.9
213.05585	1.9
214.02684	1.3
225.05659	0.9
227.03494	4.5
228.04303	2.6
239.03488	0.7
242.02016	0.6
243.02902	4.1
245.17572	11.2
246.17889	1.1
253.05220	1.0
255.02988	19.4
256.03726	9.3
257.04443	2.6
259.11884	0.6
269.04578	1.9
269.13889	0.6
277.13019	0.9
281.04559	2.4
282.01761	0.9
283.02435	2.8
284.03253	0.7
285.03937	2.8
288.02786	1.7
289.13101	1.2
297.04010	1.3
347.17053	6.1
348.17667	0.7
380.32452	0.5
406.80032	0.5
407.07718	39.5
407.22858	30.5
407.27316	0.5
408.08014	5.6
408.23233	4.9
431.93289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03449	2.2
57.09069	0.5
58.00599	4.2
59.01381	100.0
60.01715	1.9
61.98829	3.7
69.03461	0.6
69.51688	2.9
69.66280	0.5
69.96953	0.5
71.01385	55.1
71.49419	0.5
72.01730	0.9
72.99312	4.2
73.02948	4.0
75.00875	0.5
82.02988	0.5
83.01393	3.0
85.02956	12.2
87.00888	2.6
88.52857	0.5
89.02446	65.3
90.02795	1.3
95.01395	4.0
97.02969	0.8
97.06591	0.7
99.00866	1.7
99.04540	0.7
101.02448	34.4
102.02776	1.2
109.02945	1.9
113.02452	22.4
114.02777	1.2
119.03506	27.4
120.03790	0.9
120.75417	0.6
122.61643	0.5
123.04532	2.1
124.12315	0.5
125.02444	1.6
128.03497	0.6
131.03465	3.7
135.98421	0.5
139.07709	0.6
141.09250	2.6
143.03522	4.1
143.04561	0.9
149.04582	2.0
151.04053	1.0
159.02948	0.6
161.04562	10.7
168.63100	0.5
173.41264	0.5
175.03972	0.7
179.05626	11.5
180.05981	0.5
183.04517	0.6
187.03983	0.9
199.04004	1.6
211.04044	1.9
213.05585	1.9
214.02684	1.3
225.05659	0.9
227.03494	4.5
228.04303	2.6
239.03488	0.7
242.02016	0.6
243.02902	4.1
245.17572	11.2
246.17889	1.1
253.05220	1.0
255.02988	19.4
256.03726	9.3
257.04443	2.6
259.11884	0.6
269.04578	1.9
269.13889	0.6
277.13019	0.9
281.04559	2.4
282.01761	0.9
283.02435	2.8
284.03253	0.7
285.03937	2.8
288.02786	1.7
289.13101	1.2
297.04010	1.3
347.17053	6.1
348.17667	0.7
380.32452	0.5
406.80032	0.5
407.07718	39.5
407.22858	30.5
407.27316	0.5
408.08014	5.6
408.23233	4.9
431.93289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
58.53190	0.4
59.01376	0.5
63.77589	0.3
64.03114	0.3
70.23111	1.4
78.95905	100.0
81.72429	0.3
96.96000	1.1
96.96964	7.7
98.19956	0.7
98.36084	0.4
150.98030	1.6
152.71965	0.4
152.99600	79.6
153.99947	1.9
171.00652	58.7
172.01012	1.3
269.65991	0.3
310.42041	0.4
322.59570	0.5
327.29156	0.4
364.63913	0.4
407.22232	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03448	2.9
57.89605	0.7
58.00601	4.1
59.01379	100.0
60.01704	1.1
61.01781	0.6
61.98837	4.1
67.41135	0.6
69.96126	1.1
69.96543	2.2
71.01382	49.1
72.01725	1.2
72.99319	4.8
73.02950	3.5
75.49908	0.6
82.02971	0.7
83.01396	2.6
84.02150	0.7
85.02951	11.4
87.00885	2.7
89.02440	61.1
90.02767	1.1
95.01398	4.1
98.20545	1.0
99.00901	1.3
99.04536	0.8
101.02442	32.7
102.02801	0.8
109.02966	0.7
113.02450	24.0
119.03502	28.3
120.03827	1.2
125.02465	1.2
131.03502	1.9
135.98351	0.7
141.09221	2.2
143.03503	4.3
143.04510	1.2
149.04536	2.4
159.03008	1.0
161.04567	10.3
178.59662	0.8
179.05618	9.7
180.06088	0.9
185.11772	0.7
211.04004	1.3
213.05487	0.7
227.03452	2.3
228.04236	1.8
243.02924	3.1
244.16389	0.7
245.17560	10.0
255.02951	10.7
256.03674	6.2
257.04507	1.7
281.04514	1.4
283.02478	2.2
285.04184	1.7
286.89694	0.7
288.02954	0.7
289.45612	0.7
313.96826	0.7
347.17029	6.4
407.07727	22.2
407.22897	27.8
408.08069	3.7
408.23053	3.6
431.39594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83015	0.5
57.03458	0.7
59.01386	100.0
60.01718	1.5
61.98842	0.7
62.74026	0.5
69.66908	2.0
69.67325	1.5
71.01389	10.2
72.01725	0.7
73.02962	2.0
83.01399	1.0
85.02956	3.5
89.02440	5.2
99.00909	0.8
101.02454	6.0
111.64594	0.6
113.02444	5.1
119.03516	2.8
122.41532	0.5
143.03497	0.9
159.03082	1.3
161.04575	11.8
170.19943	0.5
179.05667	1.3
181.48692	0.5
225.54037	0.5
272.96838	0.6
301.78702	0.6
347.17114	13.1
348.17529	1.2
406.49872	0.6
407.07855	1.4
407.19354	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29903	0.7
55.01871	0.8
57.03456	2.2
57.72707	0.6
59.01381	100.0
60.01722	1.0
61.98830	17.1
71.01384	23.9
71.61753	0.7
71.62180	1.1
72.99310	2.4
73.02948	4.7
74.99119	0.9
75.00872	1.7
82.02983	1.7
83.01402	2.4
85.02959	7.8
87.00880	2.0
87.04528	1.2
89.02439	14.0
95.01337	0.9
99.00909	2.7
101.02444	15.6
101.03078	1.1
109.02928	1.0
113.02454	8.9
113.06067	0.9
119.03513	6.7
125.02431	3.8
131.03598	0.8
131.52354	0.8
136.99205	0.7
137.02454	0.8
143.03558	1.8
148.33452	0.7
151.03987	1.6
159.03029	1.9
161.04576	8.8
164.03622	1.2
167.10802	0.9
172.07587	0.7
179.05643	3.4
185.11888	1.2
202.05305	0.9
210.75731	0.8
215.08177	0.7
217.02757	1.5
217.06216	2.2
228.06540	1.0
229.06223	1.3
230.07027	1.2
231.07832	2.9
232.08437	1.4
241.06357	1.0
243.04156	4.7
243.07892	1.0
244.04871	1.8
244.09871	2.0
245.09496	1.7
246.11348	2.6
255.02957	3.9
256.03928	2.4
257.05695	3.9
258.06473	1.1
259.07324	9.2
259.10873	1.9
260.03558	0.8
260.07373	1.0
271.07278	5.6
275.09384	0.9
285.09070	1.1
287.10394	16.2
288.08487	1.4
288.11227	1.3
291.10022	2.2
313.08286	23.9
313.11819	1.3
314.08713	2.9
331.09387	13.3
332.09802	2.1
345.11096	2.2
347.17087	24.0
348.17575	3.2
375.08359	5.3
407.07547	4.9
407.11270	7.5
407.18845	11.7
407.26761	2.7
408.11752	1.3
408.19669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.0
57.03450	3.6
58.00581	1.6
59.01382	29.7
60.01704	0.7
61.98825	1.2
66.92343	0.4
67.12222	0.5
69.03449	1.5
71.01383	44.6
71.63940	0.9
72.01709	1.2
72.99291	2.2
73.02950	19.2
75.00871	1.5
83.01389	11.2
84.02190	0.6
85.02953	26.3
86.00077	1.0
86.03287	0.7
87.00868	2.5
89.02446	9.2
95.01404	3.4
97.02950	2.0
99.00881	8.5
100.01254	0.6
101.02445	48.6
102.02737	1.0
106.26830	0.5
111.00882	1.3
113.01685	1.1
113.02451	19.1
114.02731	0.5
119.03448	0.6
123.00893	2.8
125.02431	2.6
129.01942	1.5
131.03493	1.5
138.03207	1.7
143.03500	2.8
147.25839	0.5
149.04514	0.8
159.02995	4.3
161.04552	20.3
162.04919	0.8
181.05031	0.7
183.10316	0.8
233.06723	0.7
245.11902	0.6
255.02904	0.8
264.36441	0.5
275.14993	100.0
276.15344	7.9
319.13885	0.8
370.67548	0.6
407.07532	2.6
407.19196	16.8
408.19583	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98835	46.4
70.31379	27.3
71.01384	38.9
73.97325	7.7
78.95907	37.5
83.01400	8.3
85.02956	12.8
87.04521	17.1
87.75510	6.6
89.02442	28.1
101.02439	17.0
109.02986	9.7
113.02461	10.9
116.92901	8.5
125.02455	12.4
136.11200	6.4
137.02467	7.6
151.04060	8.3
161.04594	10.4
164.04800	10.1
179.03593	7.7
179.07158	8.0
198.38582	8.1
211.04054	11.5
227.03503	13.3
227.12709	9.1
228.04262	8.7
255.02914	49.0
256.03708	12.7
257.04465	8.1
360.15765	8.0
407.07742	86.5
407.17639	19.3
407.26123	24.8
408.07956	13.7
408.20477	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.5
61.48471	0.5
61.98835	2.3
70.09988	2.3
71.01385	10.2
73.02943	2.5
82.97372	0.5
83.01403	1.4
85.02958	3.5
86.99221	0.5
87.00885	0.7
87.25420	0.6
89.02444	3.5
95.01392	0.8
98.20612	0.7
99.00888	1.1
101.02450	7.8
113.02453	4.2
119.03485	1.0
122.91362	0.5
125.02472	1.3
143.03484	0.7
151.04007	0.6
159.03065	1.2
161.04567	13.0
162.04962	1.1
168.10094	0.5
222.80225	0.6
227.03609	0.9
243.03027	1.2
255.02939	4.0
256.03793	1.9
283.02643	0.6
285.04254	0.7
289.62051	0.5
294.87958	0.6
346.07205	0.5
347.17096	14.2
348.17667	1.2
365.21259	0.6
374.59872	0.7
407.07623	9.4
407.12393	0.7
407.19315	2.4
408.08234	1.2
433.75546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79324	0.5
55.30301	0.5
57.03442	0.7
59.01381	100.0
60.01715	1.5
60.98157	0.5
61.98848	1.0
62.75186	0.6
70.08782	2.0
71.01385	8.7
73.02954	2.3
83.01427	1.0
85.02946	3.2
89.02444	5.2
95.01437	0.7
99.00895	1.1
101.02446	7.2
113.02457	4.5
119.03549	2.4
127.61256	0.6
143.03496	0.7
143.25406	0.6
159.03079	1.1
161.04579	12.4
179.05617	0.9
223.67004	0.5
255.03040	1.3
256.03766	1.2
347.17102	15.4
348.17349	1.4
387.37326	0.5
407.07864	2.3
407.19153	1.8
408.07956	0.7
408.19543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	16.1
59.04477	7.2
64.68545	8.4
70.22857	19.8
70.23254	20.3
71.01382	17.6
75.90432	8.8
87.00889	23.6
89.02444	21.5
101.02449	23.4
105.01933	36.1
108.05530	9.2
110.36710	7.7
116.53873	8.9
119.03525	10.7
129.56360	7.6
137.74968	8.7
140.00508	9.3
159.97064	9.2
161.04576	13.9
165.04051	100.0
179.05638	16.4
304.47070	8.6
314.97000	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	407.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70253	0.4
59.01376	2.8
61.98849	0.6
62.14322	0.5
76.13857	0.5
85.02956	0.5
93.03479	0.7
101.02470	0.7
107.05042	0.9
109.02970	1.3
121.02977	2.8
122.25410	0.4
135.03471	1.0
135.04526	18.2
136.04840	0.7
137.02444	7.6
144.09819	0.4
149.02441	44.0
149.52559	0.4
150.02744	3.0
151.03958	0.7
164.04797	100.0
165.05122	7.1
179.03549	25.0
179.07138	78.2
180.03809	2.0
180.07483	5.0
185.39288	0.4
194.05847	23.2
195.06194	1.5
201.12845	0.7
209.08195	23.2
210.08511	1.6
227.09109	3.3
245.11873	3.3
255.02982	0.8
266.57483	0.5
407.07504	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
59.01392	5.1
61.50532	0.5
61.98845	1.3
65.29205	0.5
69.42481	4.1
71.01402	1.5
84.37660	0.4
85.02950	0.8
87.00901	0.9
101.02425	1.1
107.05045	0.7
109.02982	1.7
121.02985	3.1
125.02428	1.0
134.03783	0.8
135.04535	16.9
137.02449	10.4
138.02777	0.7
142.11176	0.5
149.02443	40.3
150.02805	2.3
151.04015	1.1
156.56502	0.5
163.04015	0.5
164.04797	100.0
165.05103	6.2
167.15231	0.5
179.03535	27.1
179.07132	75.1
180.03873	1.5
180.07489	6.2
188.00554	0.5
194.05836	23.1
195.06134	2.4
202.06372	0.5
209.08186	28.5
210.08513	3.3
227.03557	0.6
227.09212	3.5
241.05074	4.4
242.05370	0.5
255.03026	1.0
257.04492	0.6
275.09103	0.9
290.87296	0.5
313.86359	0.5
407.07761	3.3
407.26358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28505	1.2
53.72832	1.1
55.50256	1.0
57.03429	3.5
59.01381	100.0
60.01706	2.1
61.98827	24.4
62.23963	1.3
65.99830	1.5
69.43500	9.1
71.01385	22.0
72.99298	3.0
73.02944	5.2
74.99095	1.9
75.00862	2.8
75.24681	1.1
82.02988	6.8
83.01388	4.5
85.02956	8.0
87.00839	2.3
87.04502	1.3
89.02448	15.8
95.01414	1.2
98.20586	2.0
99.00860	3.0
101.02447	18.3
107.29067	1.2
113.02441	8.5
119.03473	5.3
125.02431	10.4
137.02419	1.4
143.03412	2.5
149.02466	1.5
149.04744	1.9
160.07701	1.9
161.03613	1.3
161.04585	11.7
164.03490	5.2
172.07721	2.1
174.05650	2.1
179.05540	3.3
185.11832	1.3
186.05577	1.4
188.07149	3.2
191.04553	1.8
202.08710	3.3
216.05264	4.1
216.06920	1.9
216.10262	2.3
217.02528	2.9
217.06155	6.9
217.09627	1.4
218.06618	2.4
227.03487	2.5
228.04333	1.2
228.06712	3.0
229.06021	7.2
230.03313	1.7
230.06813	2.9
231.07741	8.6
232.08397	3.2
241.06113	3.5
242.03200	1.4
243.04172	16.6
243.07790	2.0
244.04860	9.0
244.09857	10.1
245.09309	4.5
246.11404	15.9
248.09335	2.5
255.02873	6.1
256.04657	5.1
257.05722	12.5
258.06335	5.7
259.07172	32.4
259.10703	5.6
260.07300	2.0
269.09366	2.8
271.07242	17.8
272.07751	3.1
275.06448	1.3
275.09232	1.7
285.04477	1.6
285.08765	6.0
287.10376	57.6
288.08261	2.2
288.10736	4.5
289.08951	1.2
291.09903	10.5
298.05829	1.6
302.05289	1.4
303.09698	1.6
313.08301	76.7
314.08701	8.6
317.07629	1.6
331.09366	50.2
332.09607	4.6
335.08942	1.5
345.10944	7.1
347.17072	25.7
347.21066	0.8
348.17291	3.7
357.07150	1.5
375.08289	17.8
376.08557	1.9
389.09714	2.8
407.06461	4.1
407.11542	44.5
407.18570	8.9
407.26736	2.6
408.11276	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	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01383	100.0
60.01713	1.4
61.98832	3.4
67.20930	1.0
71.01389	1.0
71.62216	1.7
77.95408	0.9
78.92666	0.9
89.02498	1.1
96.96000	1.8
109.92426	1.0
147.51585	1.1
154.35794	1.3
219.13943	3.3
255.02850	1.3
271.22964	2.2
405.17642	1.2
405.22318	3.3
405.26474	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	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34943	0.6
54.83105	0.7
59.01381	100.0
60.01707	2.3
61.98817	1.4
64.84398	0.7
69.46677	5.6
71.01415	0.8
85.02943	0.6
86.21088	0.6
91.04029	1.3
98.19907	1.2
111.08155	1.6
135.20872	0.7
255.03136	0.8
271.22922	2.0
405.26404	5.6
406.26859	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	406.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44334	1.7
57.03437	2.8
58.23230	1.5
59.01382	100.0
59.93669	1.7
60.01708	2.2
61.98833	59.1
69.03426	1.5
71.01387	31.1
71.31955	1.7
71.32304	1.9
72.99310	5.5
73.02946	10.9
74.99092	2.0
75.00875	12.2
78.95904	2.2
79.11980	1.5
83.01380	10.6
85.02951	8.4
87.00877	3.6
89.02447	22.4
90.02773	1.7
95.05084	2.4
97.02965	2.3
99.04557	3.2
101.02452	33.0
102.02773	2.1
103.04123	1.7
109.02939	3.3
110.02459	3.2
111.00896	2.0
112.04056	33.7
113.02454	13.3
118.98129	3.2
119.03505	9.9
122.06128	2.4
123.04552	6.6
124.04062	17.2
125.02468	5.5
131.03506	3.7
135.98294	1.9
136.99062	2.4
137.02480	1.9
138.05620	4.1
140.07146	3.7
143.03531	2.9
148.03935	1.7
149.04575	2.9
151.04008	2.7
161.04558	14.6
163.03999	5.6
166.05096	54.4
167.05402	2.9
175.04002	3.6
179.05603	4.0
180.06717	2.4
184.06155	48.8
185.06508	2.6
208.06166	4.0
208.20822	1.7
211.04059	3.5
213.05510	2.8
226.07166	20.0
227.03413	5.8
228.04260	3.2
243.02905	6.1
245.04890	2.1
255.02983	23.5
256.03735	12.4
256.08173	11.7
257.04453	3.7
269.04355	1.8
276.94580	1.7
281.04706	4.0
283.02505	4.2
285.04129	3.7
286.09396	10.1
288.02780	4.1
316.10535	3.6
343.10486	3.1
347.17075	13.6
406.16867	2.5
407.07709	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
54.22042	1.2
55.01865	1.3
57.03425	1.1
58.00574	4.4
58.70384	1.1
58.98632	1.0
59.01382	100.0
60.01700	1.6
61.00727	1.1
61.32221	1.2
61.98818	2.7
61.99121	1.2
65.40215	1.1
67.28037	1.0
71.01386	65.9
72.99302	3.9
73.02949	6.3
74.99075	3.1
83.01364	4.4
83.09332	1.1
85.02953	14.6
87.00849	5.0
89.02449	81.6
90.02760	2.5
95.01372	4.1
97.02914	1.6
99.00873	2.7
101.02445	42.2
102.02741	2.0
103.27393	1.1
113.01703	1.7
113.02452	25.3
116.16997	1.0
119.03510	36.2
120.03839	1.2
131.03459	4.7
136.99101	2.5
143.03481	7.3
149.04514	3.2
159.02922	2.2
161.04541	11.8
163.11145	1.1
165.12828	8.3
179.05612	23.6
181.12260	1.7
213.46069	1.3
221.06650	4.5
243.16014	12.2
244.16338	1.4
289.24850	1.3
291.11746	1.5
387.19922	1.6
405.21066	52.6
405.45642	1.3
406.21423	9.4
427.86169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
57.03453	11.6
58.00600	5.8
58.28293	0.9
59.01384	100.0
61.98820	2.4
65.56636	1.2
65.97414	1.0
69.03450	1.7
69.81908	1.0
71.01385	87.6
71.05002	1.2
71.62803	1.4
72.01706	2.1
72.99299	5.9
73.02951	12.5
74.99094	2.0
75.00865	3.6
81.03470	2.0
83.01393	8.1
83.05044	1.6
85.02952	25.2
85.06576	1.3
87.00879	8.5
87.04509	1.1
89.02451	58.9
90.02787	1.3
95.01413	5.6
97.02997	1.5
97.06599	1.5
99.00892	5.2
99.04513	1.7
101.02447	58.6
105.01917	2.4
111.08186	1.2
113.02460	33.1
114.02782	1.6
115.07663	6.4
119.03516	26.7
120.83710	1.0
123.08145	2.4
125.02435	1.9
125.06084	3.1
125.09726	21.8
126.10058	1.5
129.96967	1.0
131.03535	2.4
137.09663	1.4
139.07643	4.1
141.09200	2.0
143.03548	5.0
143.10791	1.2
147.09074	1.0
149.04497	2.6
151.11290	16.2
152.11638	1.2
153.09204	1.8
155.05312	1.5
159.02980	2.9
161.04572	23.5
162.04836	1.1
171.10245	1.7
177.03458	1.2
177.12817	1.8
179.05615	6.9
181.12321	1.4
183.13919	1.5
195.13899	21.9
196.14169	2.0
207.13950	3.7
213.14973	41.8
213.17006	2.3
214.15366	4.1
221.44331	1.0
222.53162	1.1
225.14980	13.3
226.05162	1.6
228.06834	1.9
243.02921	1.3
243.16016	30.5
244.16322	3.8
256.09943	1.2
258.06445	1.5
273.08789	5.9
296.08017	1.2
299.10306	5.9
311.10312	2.4
315.18024	1.7
329.11401	17.8
330.11734	2.0
343.09363	1.9
369.18964	1.0
387.20267	3.5
405.16989	2.8
405.21286	58.3
406.21576	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	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.3
57.03448	4.3
58.00597	4.3
59.01382	98.6
59.81112	0.7
60.01732	0.9
61.98833	20.4
61.99150	1.2
69.84615	1.4
69.85006	2.5
70.98418	0.8
71.01383	69.1
71.05041	1.0
72.01760	1.3
72.99299	5.1
73.02959	6.0
74.99096	6.1
75.00890	1.6
75.48267	0.7
79.99134	0.7
83.01401	4.3
84.02196	0.9
85.02954	16.8
85.03431	0.9
87.00882	5.2
89.02448	66.3
90.02801	1.0
95.01396	4.2
97.02970	0.9
98.20525	1.2
99.00922	1.7
99.85378	0.8
101.02444	39.4
101.06125	1.2
102.02797	0.9
102.35535	0.7
113.02450	29.0
113.03235	1.4
114.02811	1.3
119.03509	29.4
120.10324	0.7
120.99657	1.7
125.02472	1.7
125.06053	0.9
129.98402	0.8
131.03522	3.1
136.99142	5.6
137.02414	0.9
139.00357	1.8
139.07657	8.5
143.03516	4.3
143.10774	2.4
149.04552	1.6
151.07693	3.3
151.11313	3.7
152.08397	1.8
155.10762	0.9
159.03024	2.0
159.04515	1.3
161.04570	9.8
163.11285	6.6
166.02750	1.2
171.51424	0.7
175.07687	0.9
179.05626	8.7
179.10818	1.1
181.05086	1.8
181.12386	2.8
195.13893	2.8
201.05515	1.4
205.05057	1.3
207.13889	1.3
213.14938	3.0
213.16762	0.8
223.13332	2.2
225.14920	4.5
243.02907	2.9
243.06642	11.7
243.16000	100.0
244.07024	2.1
244.16325	7.4
299.10278	1.0
345.09647	1.6
360.12000	3.0
375.14700	5.5
376.14935	1.0
395.14380	0.8
405.15771	8.3
405.21185	43.4
406.16388	1.7
406.21530	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	405.213
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.01877	2.4
57.03456	5.2
58.00600	4.6
58.02987	0.8
59.01380	100.0
60.01718	1.7
61.98821	3.1
62.64009	0.9
69.42861	1.2
69.43266	4.5
71.01382	73.0
71.05016	4.7
72.01730	2.1
72.99302	4.3
73.02946	6.7
74.02476	2.5
79.85169	0.7
81.03469	1.6
83.01406	5.2
83.05028	0.9
84.02180	2.9
85.02441	1.0
85.02955	18.4
86.02486	1.2
87.00872	3.9
87.05660	0.9
89.02445	82.2
90.02800	1.4
95.01387	5.9
97.02939	1.4
97.06618	1.4
99.00864	3.4
99.04544	1.2
99.05658	1.5
101.02445	46.5
101.06085	12.3
101.49354	0.8
102.02760	1.2
102.98624	2.0
109.06635	0.8
110.03742	0.9
113.02454	33.2
114.02787	1.0
119.03502	41.4
120.03793	1.0
120.99654	7.8
123.08163	9.7
125.02488	0.9
125.06078	5.4
128.03545	3.8
129.03899	1.1
131.03496	3.5
136.11020	0.8
138.06880	3.2
139.07672	4.6
140.08109	0.8
141.09216	36.3
142.09552	2.1
143.03502	5.9
143.04651	4.7
144.04987	1.0
149.04556	4.5
149.09740	2.0
151.11302	1.7
153.09227	3.2
153.12798	1.5
159.02950	1.5
160.00745	0.7
161.04555	15.6
167.10750	2.3
179.05664	12.2
181.12323	7.2
195.13962	2.0
205.12282	1.5
207.13872	1.6
210.08704	0.8
223.13371	0.9
225.14951	6.5
243.15997	51.9
244.16354	3.2
251.53394	0.8
254.07784	1.2
255.08205	1.1
271.11166	0.8
272.08890	1.4
273.09247	2.1
283.04935	1.3
306.07697	1.8
307.07962	3.8
309.27927	0.7
354.12238	0.7
405.21313	50.2
406.16537	1.7
406.21616	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37853	0.7
55.01892	1.5
57.03446	2.3
58.00597	3.5
59.01381	100.0
60.01731	1.5
61.62430	0.6
61.98827	0.9
69.94292	2.6
69.94701	1.3
71.01382	60.0
71.05017	1.4
72.01731	0.9
72.99308	4.5
73.02950	2.7
74.99082	1.2
83.01390	2.5
85.02947	12.0
87.00880	2.4
89.02447	73.4
90.02811	1.2
95.01384	3.6
99.00915	1.4
99.04526	0.6
101.02445	34.0
102.02792	0.9
113.02451	23.0
113.86927	0.7
114.02778	0.8
119.03507	33.3
120.03870	1.3
125.02415	1.0
125.09744	0.7
131.03505	3.6
136.99173	0.8
138.98753	0.8
139.07661	1.7
143.03505	4.6
143.10785	5.8
149.04585	2.4
161.04558	7.9
179.05620	11.8
205.54308	0.7
207.13963	1.0
225.15004	2.9
243.15990	14.9
244.16234	1.0
387.20151	0.8
405.21271	55.5
406.21628	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	405.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90079	0.7
52.55724	0.6
55.01878	3.0
57.03441	5.6
58.00598	4.1
59.01379	86.1
60.01717	1.0
62.81287	0.8
69.03457	1.0
69.72837	4.0
71.01382	74.6
71.05009	5.8
71.66223	0.6
72.01728	1.6
72.99307	3.8
73.02950	9.3
75.00882	1.0
81.03461	1.2
83.01401	5.2
83.05027	0.7
84.02163	7.1
85.02955	23.1
86.03310	0.8
87.00858	3.6
89.02444	73.8
90.02795	1.5
95.01377	5.0
97.02938	2.2
99.00887	3.9
99.04510	3.3
101.02443	47.4
101.06078	20.1
102.02782	1.4
103.93065	0.6
109.06594	0.7
110.03697	0.8
113.02449	32.7
113.09727	0.7
119.03500	35.3
120.03815	1.4
121.06519	0.7
123.08156	19.2
124.05255	0.7
125.02512	0.8
125.06076	7.6
131.03513	3.7
137.09752	1.2
138.06876	5.1
139.07651	7.6
141.09219	61.8
142.09534	3.2
143.03499	7.3
149.04544	2.9
151.11275	2.8
153.09177	3.4
153.12831	1.9
159.03015	3.2
161.03210	1.2
161.04549	20.1
162.04912	1.3
163.11273	1.9
165.09157	1.0
177.12772	0.8
179.05595	10.0
181.12343	11.2
183.10283	1.8
185.08186	0.9
195.13913	4.0
197.11914	0.8
205.12331	2.1
207.13919	2.6
223.13309	1.8
225.14946	10.3
241.14369	1.0
243.15994	100.0
244.16338	9.5
285.18112	0.6
356.69458	0.7
363.52496	0.6
400.81403	0.7
405.21292	48.5
406.21695	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.9
58.00586	5.0
59.01380	100.0
61.60678	2.4
61.98840	8.5
69.03478	3.3
71.01384	65.6
71.05045	2.7
71.62326	3.4
72.90873	2.1
72.99329	5.2
73.02957	8.8
74.99113	12.8
76.98701	5.3
81.03462	2.6
83.01392	5.9
85.02509	2.3
85.02929	14.5
87.00890	5.0
87.04513	3.1
89.02447	61.1
92.70843	2.4
95.01418	3.4
97.02967	3.1
101.02447	52.9
113.02461	20.0
119.03497	24.9
120.99647	3.2
123.04539	3.1
125.02471	3.5
125.05968	2.1
127.07705	3.8
136.99178	5.6
137.02458	2.4
138.98734	4.1
139.11244	3.9
143.03531	4.0
143.10754	5.6
149.04527	2.7
151.00359	4.7
152.01115	2.6
161.04553	7.7
174.53091	2.4
175.52376	2.7
179.05580	6.2
183.10257	32.9
184.10681	2.8
188.76405	2.6
197.11871	5.2
205.05086	4.3
225.11398	7.0
243.16016	8.6
255.12672	3.4
273.13431	3.9
296.07986	2.6
311.10349	12.6
329.11630	3.0
345.22699	5.4
363.23819	3.9
405.16412	3.8
405.20798	26.2
405.25250	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35136	0.9
53.11560	0.7
55.01866	0.8
57.03446	1.6
59.01383	100.0
60.01727	1.4
61.98838	2.4
70.44810	0.8
70.45152	2.4
71.01386	21.5
71.02003	0.9
72.99335	1.1
73.02943	4.9
74.99096	1.3
76.98681	1.2
83.01397	1.3
85.02962	7.4
87.00928	1.7
89.02455	15.0
93.15995	0.8
95.01397	2.0
99.00886	2.0
99.05691	1.6
101.02451	16.2
102.98620	1.2
113.02461	9.3
119.03498	5.1
120.81538	0.7
120.99696	2.1
125.02563	0.9
128.03586	3.4
129.03929	0.8
136.99153	1.5
138.98761	1.0
140.85237	0.7
141.09251	2.2
143.03593	1.4
143.04648	2.6
144.05029	0.9
159.03036	1.8
161.04564	16.8
179.05702	1.9
183.10309	1.2
210.09041	0.8
243.16060	7.1
255.12387	0.8
259.19711	0.8
272.08841	0.9
273.09103	1.0
283.05133	1.4
299.10477	2.4
306.07718	1.7
307.07928	1.8
307.86200	0.9
329.11816	0.9
345.15616	8.3
346.15970	1.1
405.17322	1.2
405.21530	6.0
406.21899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03450	4.5
57.73403	0.6
58.00593	4.3
59.01381	100.0
60.01710	1.2
61.98825	2.0
70.27227	0.6
71.01385	68.2
71.05016	3.1
71.64064	0.8
72.01715	1.1
72.99304	4.8
73.02942	6.8
74.02485	1.6
74.99090	0.6
80.02682	0.6
81.03468	1.1
83.01391	4.2
83.05012	0.9
84.02162	4.1
85.02951	17.9
86.02464	0.6
87.00871	3.7
89.02448	76.3
90.02789	1.8
95.01404	4.6
95.05053	0.7
97.02953	1.1
97.06576	0.8
99.00881	3.1
99.04537	1.5
99.05652	1.6
100.47877	0.6
101.02446	43.8
101.06089	8.9
102.02773	1.2
102.06434	0.8
102.98611	0.9
109.02978	0.9
109.06598	1.4
110.03738	0.9
113.02451	28.7
114.02778	1.4
119.03506	35.4
120.03889	0.8
123.08173	10.9
124.08472	0.7
125.02447	1.1
125.06077	4.1
128.03546	4.4
131.03493	3.9
133.06947	0.9
137.09645	0.8
138.06839	3.2
139.07693	4.5
141.09222	32.1
142.09535	2.0
143.03505	5.9
143.04623	5.0
149.04568	2.7
151.11237	2.9
153.09180	2.8
153.12881	1.1
159.02980	2.0
161.04555	12.9
165.09198	1.0
167.10797	1.2
179.04350	0.7
179.05672	11.0
181.12340	6.9
182.12456	0.6
195.13895	2.7
205.12273	0.8
207.13924	2.2
210.08801	1.0
223.13402	0.8
225.05829	0.6
225.14983	5.2
241.14432	1.0
243.16000	48.7
244.16338	3.2
254.07799	2.6
271.09109	0.7
272.08890	2.4
283.05032	0.8
296.93826	0.6
307.08054	0.8
332.92957	0.6
381.69940	0.7
405.21298	46.5
406.16666	2.8
406.21634	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	405.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21733	4.4
52.23858	4.3
57.81116	4.9
61.98826	16.7
71.10720	7.7
71.11060	7.5
76.51941	4.7
83.13576	5.0
87.00873	22.9
99.00887	11.6
105.01921	23.1
144.59859	5.7
147.02910	5.7
158.32637	4.8
164.02827	5.1
165.04036	100.0
166.04617	5.2
178.20456	5.1
199.54370	6.2
328.58936	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79831	2.6
55.01871	3.2
56.13515	2.6
58.00583	7.1
59.01379	90.3
61.98841	3.7
62.07412	2.5
70.04882	11.6
71.01381	55.8
73.02921	3.3
85.02962	8.0
87.00871	11.4
89.02446	84.1
90.02825	2.7
95.01411	2.7
101.02441	27.5
111.93516	2.4
113.02440	28.6
118.96323	2.3
119.03513	29.1
121.02972	3.7
143.03468	4.8
149.02463	17.4
177.01932	100.0
177.03496	4.7
178.02321	5.2
179.03510	4.4
179.05589	7.2
192.04265	49.3
193.04619	3.7
195.02959	3.5
195.06567	5.5
207.06589	11.4
210.05394	4.9
225.07684	12.4
387.12912	7.5
406.13385	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	4.1
59.01380	77.0
61.98837	6.8
69.32550	1.6
69.77046	3.8
69.77455	7.7
71.01385	50.1
72.99338	3.7
78.10654	1.8
83.01395	2.2
85.02942	9.4
87.00891	5.9
89.02448	67.3
95.01366	3.6
101.02451	27.4
113.02455	22.1
119.03506	26.4
121.02987	3.8
143.03586	3.2
149.02454	17.8
149.04527	2.7
161.04520	2.3
165.01891	2.8
177.01926	100.0
178.02283	7.0
179.05632	6.8
192.04300	37.2
193.04710	2.9
195.02985	5.6
195.06628	4.5
207.06683	8.1
210.05365	6.8
225.07643	12.9
226.07317	3.0
387.12906	10.4
406.13492	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	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.6
58.02979	12.5
59.01379	45.1
60.01715	2.2
61.98830	49.1
66.85742	1.4
70.02977	2.1
71.01383	27.4
71.62507	1.3
71.62923	2.2
72.00908	1.6
72.01713	2.8
73.02946	6.0
74.02478	25.5
74.22950	1.3
74.99100	5.3
81.85338	1.4
82.02983	4.2
83.01376	3.3
85.02955	8.4
86.02476	9.1
86.99078	1.9
87.00876	2.7
87.05644	7.9
89.02448	27.7
90.00172	2.8
95.01404	2.0
97.04058	2.3
99.05643	22.7
100.00378	1.4
101.02456	18.4
101.07224	2.2
102.02738	2.0
102.05604	3.4
109.02972	1.8
109.04046	2.2
111.05647	2.0
112.04079	3.4
113.02448	10.4
117.97331	2.4
119.03536	10.2
120.01383	1.8
120.99652	7.5
123.05670	2.7
123.08142	2.7
125.02462	2.1
125.03521	2.6
127.05142	3.1
128.03551	56.0
131.04643	2.2
135.05643	6.0
136.99124	3.0
138.09174	1.9
139.07625	2.9
140.07954	1.7
141.06717	6.3
141.09225	3.6
143.04620	80.9
144.04980	3.5
145.06180	3.2
146.04623	8.8
151.07661	2.7
153.06728	5.9
160.00739	27.3
161.04549	6.5
166.09798	2.8
167.04607	6.8
167.08273	2.5
171.04240	1.6
177.03406	9.5
179.04535	16.9
179.10745	1.7
181.12372	2.0
182.08249	2.3
198.06993	3.1
198.08698	2.0
210.08839	14.8
223.13348	1.9
224.13591	1.6
241.14444	7.9
242.14883	9.4
243.16022	13.1
245.36145	1.4
254.07867	23.4
255.08054	3.3
272.08868	35.3
273.09256	3.5
280.40872	1.5
288.06570	9.5
289.07010	1.6
306.07642	100.0
307.08054	6.9
319.05923	1.8
404.19971	9.8
405.11548	2.0
405.16641	2.9
405.21204	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	404.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74466	5.8
59.01385	10.3
60.10387	4.8
61.43208	4.8
61.98840	100.0
69.84396	24.7
177.00450	5.6
255.02925	11.8
266.73044	6.0
345.10312	6.4
364.77603	7.0
404.20798	9.4
405.22882	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	404.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
61.98833	7.3
67.34225	0.6
71.62446	0.8
72.00912	1.0
74.98942	0.6
80.05070	0.9
91.13063	0.8
126.05613	27.7
127.05965	1.0
144.06660	4.4
192.52519	0.6
243.67223	0.6
277.21738	100.0
278.22095	12.3
404.11584	0.7
404.28189	2.2
405.26370	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	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01378	5.9
61.98825	3.0
69.03456	57.7
69.32945	8.9
70.03778	2.3
71.01377	4.6
79.01882	18.4
81.03461	2.7
83.01367	0.9
85.02966	4.2
89.02441	4.8
93.03470	2.5
95.01389	7.7
97.02956	33.8
98.03252	1.0
101.02446	1.9
106.39160	1.0
107.01385	55.1
108.02242	10.5
109.02961	6.0
113.02431	2.6
119.05036	0.9
121.02961	5.9
123.00886	16.4
123.04495	1.7
125.02449	69.9
126.02765	2.2
133.02943	2.5
134.03748	1.8
135.00882	3.2
135.04457	1.2
136.01675	7.1
137.02470	5.1
145.02971	1.2
149.02422	3.3
151.00371	78.0
151.03975	2.2
152.01060	4.5
153.01930	16.9
161.04584	1.1
163.04002	9.7
165.01839	1.0
168.04298	0.9
169.06383	0.9
177.01923	13.2
189.01926	1.0
193.01398	1.0
197.06105	6.6
199.07635	3.8
218.65431	1.0
242.05849	100.0
243.06573	61.0
244.06975	5.9
285.07605	5.8
297.06119	17.5
298.06503	2.2
333.89951	0.9
405.11615	17.3
405.21048	3.8
406.12158	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	403.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
58.00605	0.7
59.01378	3.2
61.98828	8.2
66.29430	0.6
71.01370	2.1
71.05002	0.5
71.64915	0.7
71.65314	1.0
72.99293	0.8
73.02922	1.0
89.02428	1.1
96.96005	1.0
97.06590	0.8
101.02448	0.8
101.62785	0.6
113.02403	0.9
121.02925	1.0
125.02425	0.7
125.09709	2.8
127.11292	6.5
137.02448	2.7
139.07703	0.8
155.10799	2.0
157.08698	0.8
157.12372	5.0
167.10799	0.7
171.10245	2.0
185.11778	0.7
187.13303	1.6
201.11383	1.7
241.14436	0.9
284.82803	0.7
285.25217	0.8
287.05481	0.7
295.22711	1.1
313.23901	8.4
329.23340	5.7
331.24896	100.0
332.25259	13.8
403.13800	1.0
403.23828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35425	0.3
54.87816	0.3
55.92606	0.3
59.24308	0.4
61.98832	100.0
62.98536	0.5
63.04358	0.4
71.27798	0.7
87.00884	0.8
105.01909	1.0
126.35303	0.5
141.32182	0.4
151.19203	0.3
165.04066	2.4
175.57327	0.4
199.76573	0.4
241.89052	0.4
346.71204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
57.03445	2.6
58.00574	2.1
58.02970	11.7
59.01381	57.3
60.01717	3.0
61.98830	51.4
66.03498	1.9
69.51672	10.3
71.01382	36.3
72.00911	2.5
72.01711	3.1
72.99309	4.1
73.02942	4.9
74.02480	23.7
74.99094	4.1
76.98668	1.8
81.04597	1.4
82.02988	3.2
83.01396	3.0
84.02140	1.4
84.04543	1.9
85.02954	8.5
86.02473	10.8
86.06113	1.6
87.00864	4.6
87.05631	7.6
89.02444	29.1
95.01379	1.9
97.04049	2.0
99.00866	2.1
99.05645	22.7
101.02442	25.5
101.07197	3.4
102.05633	3.4
109.04075	3.0
111.05622	2.3
112.04024	4.0
113.02438	13.7
116.01781	1.6
119.03506	13.6
120.01247	1.5
120.99639	7.4
123.05627	2.5
123.08170	3.0
125.03571	3.1
125.06137	1.5
127.05156	3.6
128.03539	57.4
131.03506	1.7
131.04501	1.9
135.05653	4.9
136.99142	3.7
137.07205	2.1
137.99471	1.5
139.07635	4.0
141.06686	4.7
141.09210	5.9
143.04619	88.1
144.04938	3.4
145.06128	3.8
146.04591	7.4
153.06656	4.8
159.03000	1.9
160.00729	21.3
161.04561	6.8
166.09758	2.9
167.04590	5.9
167.08255	4.3
170.03349	1.6
177.03400	8.2
179.04536	14.6
181.06261	1.9
181.12363	2.2
182.08237	3.3
185.05592	3.3
192.07722	2.9
195.13875	2.0
197.05687	2.8
198.06813	4.0
198.08626	1.7
199.07648	1.6
205.12367	1.5
207.13863	1.6
210.08833	13.1
225.14902	1.7
227.44632	1.5
241.14432	4.6
242.07693	2.5
242.14725	9.5
243.02931	2.3
243.16026	16.7
254.07814	28.6
272.08878	33.5
273.09375	2.3
288.06543	11.4
306.07648	100.0
307.07965	9.7
397.21768	1.4
404.15118	4.1
404.20004	9.2
405.12039	2.8
405.17429	1.2
405.21405	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	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03446	7.8
58.00589	2.4
59.01381	61.1
61.98826	0.6
69.50261	3.6
69.50664	0.9
71.01387	37.4
71.05024	1.6
72.01730	1.1
72.99330	2.9
73.02946	2.8
74.02470	0.8
74.99092	0.8
77.51757	0.6
81.03457	1.5
83.01395	2.1
85.02953	8.2
87.00885	2.6
89.02447	47.0
90.02778	0.7
91.37272	0.5
94.08721	0.5
95.01392	2.2
95.05070	1.4
97.02954	1.6
97.06648	0.6
99.04533	0.9
99.05638	0.6
101.02446	24.4
109.06583	1.9
111.04556	0.8
113.02454	15.3
119.03506	21.1
123.08188	7.1
124.05302	9.7
125.02376	0.5
125.06084	0.7
128.03520	1.3
131.03505	2.6
135.08224	0.6
136.05313	3.8
136.39113	0.6
136.99159	1.3
139.07651	40.6
140.07962	2.4
141.09236	0.8
143.03485	3.0
143.04666	2.1
143.10753	1.0
149.04559	1.3
149.09711	1.3
151.07652	16.7
151.11278	1.8
152.08066	1.2
152.19038	0.6
153.09206	2.4
153.22566	0.5
160.00743	0.5
161.04596	5.1
161.09705	2.1
163.07675	1.5
163.11299	3.8
164.08423	0.7
165.09193	2.2
169.08682	1.7
175.07668	0.8
179.05618	7.0
179.09303	1.1
179.10777	16.5
180.06004	0.8
180.11131	1.1
193.12321	9.4
203.10786	2.4
205.12331	8.8
206.12785	0.7
211.13397	4.2
221.11830	3.8
223.13391	13.1
224.13618	1.5
241.14461	100.0
242.14809	8.2
265.20483	0.6
299.49695	0.7
306.07666	2.2
307.28897	0.6
403.19736	32.8
404.19958	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	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01879	1.7
57.03446	10.5
58.00594	3.8
59.01379	100.0
60.01706	1.5
61.98836	1.8
69.32258	5.6
69.32681	2.4
71.01383	66.0
71.05014	0.7
72.01705	1.6
72.99309	4.1
73.02953	4.6
74.99100	1.1
75.00887	0.8
81.03459	1.9
83.01398	3.5
83.04996	1.0
84.02174	1.0
85.02955	15.2
87.00858	4.1
89.02443	81.2
90.02797	1.7
93.03441	0.8
95.01411	5.2
95.05032	2.1
97.02945	2.4
98.19902	1.5
99.00878	2.3
101.02440	42.0
102.02799	1.1
109.06625	2.1
113.02445	26.9
119.03502	40.0
120.03873	0.9
120.99609	0.8
123.04487	1.5
123.08150	9.2
124.05295	10.2
125.02415	1.3
131.03493	3.1
135.08174	0.9
136.05263	4.8
137.09734	1.0
137.50629	0.7
139.07651	47.1
140.07994	2.5
141.09264	1.5
143.03510	5.9
143.10745	0.8
149.04549	3.0
149.09734	1.4
151.07643	19.3
151.11267	2.5
152.07956	1.2
153.09207	2.9
159.03030	1.0
161.04507	8.1
161.09708	2.7
163.07655	2.3
163.11269	4.2
165.09245	2.2
169.08727	2.1
175.07574	1.2
175.11249	0.7
177.09314	1.1
179.05606	13.7
179.10776	16.5
180.11177	1.1
193.12338	11.3
203.10791	4.6
205.12328	10.3
206.12798	1.2
211.13382	3.9
221.11806	3.4
223.13408	14.2
224.13713	1.6
241.14441	89.3
242.14778	7.9
403.19699	55.0
404.20038	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44462	0.5
55.01882	1.1
58.00585	0.7
58.65438	0.5
58.81732	0.5
59.01380	23.3
61.98817	0.7
69.64285	3.6
69.75189	0.6
71.01383	12.6
72.99323	0.9
73.02929	0.5
83.01381	2.3
85.02950	1.8
87.00874	0.7
89.02447	11.5
95.01387	3.0
99.00889	0.7
101.02451	8.3
106.45454	0.5
109.02947	1.3
111.00890	3.1
111.94293	0.5
113.02473	5.0
119.03502	5.9
121.02949	1.5
123.00889	15.0
125.02445	1.2
127.00363	3.0
136.98854	2.4
137.02463	3.2
138.03246	8.1
139.00363	9.5
151.00420	1.1
152.04730	1.6
153.01945	1.0
153.05525	2.0
154.02661	1.2
154.99777	0.6
165.01932	10.5
179.03464	0.9
180.04300	5.8
186.66528	0.6
193.01414	22.9
193.03186	1.1
194.01797	1.1
195.06612	1.6
200.54382	0.5
207.02914	2.6
208.03758	42.5
209.04060	2.2
222.05092	0.7
223.06113	100.0
224.06427	8.4
245.41901	0.6
347.39828	0.6
403.12729	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81910	1.2
55.01872	2.4
57.03448	5.4
58.00589	4.5
59.01379	100.0
61.98832	20.4
69.56153	9.0
71.01385	71.7
72.01701	1.8
72.99319	5.0
73.02953	4.6
74.02495	2.3
74.70838	1.3
74.99097	19.0
76.98685	2.9
83.01392	3.5
85.02953	17.0
87.00870	4.2
89.02448	74.1
90.02802	1.5
95.01382	4.6
98.09129	1.2
99.00868	4.2
99.04539	1.5
99.05650	2.6
99.37502	1.2
101.01769	2.4
101.02441	40.7
109.02959	2.9
113.02447	26.1
119.03495	30.1
120.99645	28.0
123.08182	4.4
124.70517	1.3
125.02512	2.4
128.03574	6.3
131.03484	3.3
136.99150	16.4
138.06776	1.7
138.98700	3.0
139.07626	2.9
141.09225	12.8
143.03488	5.2
143.04636	9.6
143.10753	2.4
149.02335	1.6
149.04544	2.3
149.09673	2.1
153.09250	2.6
159.02971	2.7
160.00739	3.1
161.04561	13.3
161.09700	5.0
165.09177	3.1
167.07112	3.6
179.05692	11.3
179.10767	14.9
199.69847	1.2
205.12370	6.9
210.01653	1.6
211.13382	28.3
212.13730	1.5
223.13400	38.2
224.13722	3.0
241.14453	20.1
242.14760	2.1
254.07797	2.8
262.88907	1.3
272.08801	4.0
276.88220	1.3
281.13809	2.2
289.07031	1.3
306.07669	11.5
330.13004	3.5
333.15521	3.2
353.58395	1.2
367.15945	2.0
403.14145	8.3
403.19711	19.4
404.14792	1.8
404.19815	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	401.2333
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
56.99260	0.7
57.03183	1.3
57.03450	19.4
59.01381	7.0
61.10326	0.7
61.98829	4.0
64.09830	0.8
69.03446	4.7
71.05003	1.1
71.63018	1.0
74.42925	0.7
76.52038	0.9
81.07100	6.3
83.05023	7.0
85.06600	1.8
87.04501	0.9
87.92745	0.9
95.05003	1.1
101.02437	1.1
102.05591	1.4
109.06573	3.3
113.02455	0.9
121.02962	15.1
123.04517	0.9
125.09737	1.4
131.03497	1.5
149.05971	0.9
151.04059	1.0
153.01869	0.8
161.21765	0.8
163.11383	1.0
181.06566	1.4
223.13570	1.3
225.05446	0.9
271.20697	2.7
287.22406	1.2
297.22403	3.9
313.07083	4.4
313.25381	1.1
357.06342	1.6
357.24338	91.8
358.24701	14.5
401.08942	3.7
401.23312	100.0
402.09097	1.2
402.23593	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	402.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
61.55689	0.7
61.98832	100.0
69.65584	3.7
69.66000	1.8
70.81916	0.7
71.01392	5.5
72.99313	1.0
73.02948	2.7
74.99105	2.4
78.95917	1.9
83.01392	0.8
85.02956	3.2
87.00880	18.0
88.01220	3.5
89.02448	2.5
96.96027	0.8
96.96972	2.2
98.20586	1.5
101.02457	3.4
102.02767	0.8
103.77431	0.6
109.02926	1.1
113.02460	1.3
115.52189	0.7
120.99624	0.8
123.00894	2.0
125.02446	1.1
125.03567	5.0
129.57208	0.7
136.88054	0.7
136.99080	1.2
137.02423	0.8
139.00378	1.0
139.04097	0.9
151.00423	1.0
164.04640	0.9
165.01930	1.6
166.02667	2.0
167.03018	1.4
171.04655	0.7
178.02455	0.7
179.03549	1.3
179.07079	2.2
180.03972	0.6
180.07645	1.2
181.05054	2.5
181.72823	0.6
182.05392	1.6
191.03415	0.9
193.01489	2.5
194.05856	1.2
195.06224	0.9
201.67955	0.7
207.06599	0.7
208.03748	5.6
208.06949	0.9
209.08206	1.0
210.08525	1.6
223.06117	12.8
228.67870	0.7
265.07196	1.0
266.07510	4.6
284.65799	1.1
288.63339	0.8
296.08746	1.1
305.06598	1.1
322.35867	0.8
402.11157	26.6
403.11609	4.9
408.77161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55032	43.9
58.48006	42.9
61.98843	66.4
63.58125	46.8
67.95107	43.0
71.62122	71.5
104.75774	46.0
116.92837	100.0
143.79532	46.5
236.65256	48.9
283.26364	50.2
344.65875	52.3
403.15512	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
58.00581	0.7
59.01383	23.9
61.62115	0.5
69.63969	1.2
69.64378	2.8
71.01389	12.0
72.99323	1.1
73.02949	0.7
76.18066	0.6
83.01412	2.7
85.02950	2.2
89.02448	12.9
95.01395	3.3
99.00896	1.1
101.02451	8.8
101.48115	0.6
109.02993	0.8
111.00857	2.7
111.42699	0.6
112.98819	0.8
113.02459	3.8
119.03495	5.5
121.02974	1.1
123.00884	11.9
124.01226	0.6
127.00405	3.1
136.98805	2.9
137.02429	4.1
138.03241	8.0
139.00381	8.0
143.03383	0.7
146.39580	0.5
149.02371	0.9
151.00388	0.8
152.04776	0.9
153.05566	2.6
154.02682	1.0
163.00456	1.0
165.01939	10.5
166.02652	1.0
179.03487	2.1
180.04292	6.2
193.01419	21.0
194.01711	1.5
195.06606	2.0
207.02963	2.4
208.03770	37.6
209.04198	2.8
223.06119	100.0
224.06450	7.5
259.92795	0.6
267.82922	0.6
403.12512	5.9
404.12802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43347	0.9
57.03438	1.2
58.04893	0.9
59.01136	1.1
59.01389	13.5
61.10449	0.9
61.98838	9.9
71.01392	1.1
71.05038	0.9
71.64308	1.3
72.67215	0.9
82.21746	0.9
83.05018	2.5
85.06589	1.5
86.23451	1.0
95.05003	0.9
97.06561	4.3
99.04527	3.8
106.69135	0.8
111.56366	0.9
117.06895	0.9
121.02961	15.8
151.11237	1.0
189.12918	5.1
217.15956	24.8
218.16339	2.4
219.17523	3.0
221.11862	1.0
255.03796	0.9
263.16455	2.1
269.10251	1.0
273.22269	6.8
275.23740	1.6
287.21985	1.0
313.07251	3.5
319.22781	100.0
320.23102	15.9
341.27005	1.3
357.24323	9.5
358.24695	1.9
401.08774	2.8
401.23114	86.8
402.23468	15.6
402.28308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
59.01387	7.7
61.98829	3.7
71.62433	0.9
72.89330	0.6
83.05061	2.0
85.02980	0.9
85.06638	1.1
95.05042	1.5
104.09569	0.6
104.18252	0.6
107.05003	0.7
111.00920	0.9
121.02975	16.0
121.06615	1.0
125.02418	0.8
161.09756	0.8
181.06628	0.7
189.12886	1.6
205.16084	1.0
231.10237	1.5
231.17603	1.3
257.19113	1.3
273.22256	47.0
274.22583	7.4
275.23883	1.7
301.21683	4.3
303.19965	0.9
313.07324	5.2
319.22791	100.0
320.23169	14.9
339.23218	0.8
357.06134	1.4
357.24231	1.5
401.08810	3.9
401.23068	44.1
402.23465	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.2
56.44807	0.7
57.03453	8.1
58.00597	4.4
59.01384	79.5
60.01705	1.6
61.12128	0.7
61.98818	1.4
63.05288	0.7
66.03487	1.6
69.03451	3.3
71.01387	100.0
72.01691	1.2
72.99308	4.8
73.02953	27.6
73.98324	0.8
74.03293	1.0
74.99102	15.8
75.00868	1.6
80.52296	0.7
81.03472	1.6
83.01395	17.2
84.87279	0.8
85.02956	39.7
86.00111	1.0
86.03312	1.0
87.00893	7.5
89.02450	49.5
90.98608	3.0
93.03469	1.2
95.01390	3.8
96.23978	0.8
97.02946	5.6
99.00891	12.4
101.02451	74.4
102.02815	1.2
107.05031	1.1
109.02949	1.5
111.00888	10.4
113.02456	28.7
114.02750	1.3
115.04029	2.6
119.03488	2.7
120.99670	11.5
121.05119	0.8
121.06622	2.6
123.04520	1.1
125.02467	7.2
129.01942	2.3
131.03514	25.5
132.03835	1.3
135.04565	1.2
136.99138	14.8
137.02443	2.0
139.04025	0.9
143.03488	6.2
144.05814	2.8
149.02499	1.0
149.04549	14.4
149.05690	1.4
149.09734	4.6
151.07663	1.2
159.02966	4.4
159.08205	2.5
161.04579	36.1
161.05962	1.3
162.04852	2.0
167.03482	0.8
173.04643	1.1
177.09216	18.9
179.00237	3.7
179.10683	1.0
191.05646	2.5
196.09810	1.0
203.10764	3.0
205.03523	1.1
205.08600	1.0
215.05530	1.0
221.11841	13.0
233.06674	8.3
237.20343	0.8
239.05643	1.2
239.12909	4.9
240.08740	2.6
240.12953	0.8
269.10303	63.0
270.10703	5.7
289.07199	1.6
293.08887	2.2
401.14542	52.6
402.15094	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
57.03452	3.8
58.00591	1.3
59.01384	38.5
60.07121	0.6
61.98828	1.0
71.01388	27.8
71.62614	0.7
71.63006	0.9
72.01687	0.6
72.99304	1.9
73.02948	7.5
74.99101	9.4
83.01397	6.4
85.02956	12.3
86.00137	0.7
87.00870	2.4
89.02451	13.3
95.01373	3.0
99.00872	2.8
99.04507	1.1
101.02451	21.4
102.02795	0.9
106.93219	0.6
107.45205	0.6
109.02940	2.2
109.06564	0.8
113.02449	11.1
113.60597	0.6
119.03514	5.7
120.99664	8.5
122.00019	0.7
123.00890	0.8
123.04509	1.2
123.08147	3.7
125.02413	1.9
135.08083	1.0
136.99155	9.5
137.02435	5.0
137.09709	0.9
138.03183	1.9
146.03674	1.1
146.83514	0.7
151.00641	0.9
151.03957	1.6
153.01921	0.6
159.03061	0.8
161.04599	3.7
161.05717	0.5
161.09676	0.9
165.01949	3.6
166.02693	3.9
177.02057	0.7
177.12866	6.6
178.13239	0.8
179.05710	1.0
179.07022	3.1
195.13911	3.2
201.11310	1.0
217.05060	0.6
221.11855	4.6
222.12112	0.7
239.09532	0.6
239.12743	1.6
279.12363	1.0
303.05060	2.4
304.05728	1.3
341.12280	1.2
383.11243	1.3
401.12839	8.1
401.18121	100.0
402.13522	0.9
402.18420	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	401.1818
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01868	3.5
57.03451	5.2
58.00581	0.9
59.01382	31.7
63.96233	1.2
71.01386	22.1
72.99306	2.6
73.02950	5.5
74.00666	0.6
74.99094	2.7
76.98680	0.7
83.01382	4.1
85.02946	11.9
86.00063	0.7
87.00861	1.8
89.02449	10.7
93.03429	1.5
95.01418	3.2
97.02897	0.9
98.19810	1.2
99.00871	3.2
99.04525	0.7
101.02449	20.7
105.02013	0.9
109.02951	2.7
111.00895	1.0
113.02452	8.6
118.98159	0.6
119.03510	3.8
120.88736	0.5
120.99657	11.0
121.02948	1.6
123.00887	0.7
123.04527	1.0
123.08151	3.8
125.02469	3.6
135.08081	0.7
135.98341	2.3
136.99178	4.3
137.02467	6.1
138.03201	2.4
143.03479	0.6
149.02473	0.9
151.03983	2.0
153.01947	1.0
159.03091	0.6
161.04550	1.8
165.01935	4.6
166.02702	5.6
167.03438	0.7
175.04015	1.0
177.12865	6.8
179.03535	0.8
179.05641	0.8
188.42311	0.7
189.05617	0.8
191.10641	0.7
195.13936	2.2
199.04013	0.8
205.05074	1.1
221.11795	5.0
231.02893	0.9
235.27603	0.7
281.13916	4.6
285.03986	0.8
303.05240	3.2
304.05765	1.9
383.11343	2.6
401.12762	8.0
401.18121	100.0
402.13480	0.7
402.18506	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01882	1.8
57.03446	3.4
58.00597	4.9
59.01379	100.0
60.01719	1.6
61.98842	1.8
69.03465	1.7
69.97390	1.8
70.12210	0.5
71.01382	62.3
71.05038	0.7
72.01737	1.3
72.99316	6.1
73.02940	5.9
74.99098	20.6
75.00877	1.1
81.03472	1.1
83.01371	4.2
83.05032	0.6
85.02953	13.1
86.03361	0.6
87.00871	4.9
89.02443	64.8
90.02778	1.3
95.01384	5.0
95.05004	1.2
97.02952	6.7
97.06607	0.8
99.00890	1.3
99.04556	1.0
101.02443	43.1
102.02767	0.7
103.27842	0.6
107.05057	2.7
108.02173	1.7
109.02968	4.8
109.06589	3.5
111.04564	0.7
113.01675	1.4
113.02452	21.2
114.02842	0.7
116.87118	0.6
119.03503	26.1
120.01248	0.7
120.03896	0.9
120.99653	10.6
121.02966	0.8
121.06606	1.9
122.03747	5.0
123.04549	4.0
131.03519	2.5
133.03033	1.3
135.04517	16.4
135.08157	1.6
136.05315	11.0
136.99136	17.3
137.06110	5.6
139.00436	0.7
139.04031	0.8
139.07654	5.3
143.03520	3.5
147.08128	3.1
149.02443	0.8
149.04541	1.9
149.06129	1.3
149.09666	3.1
151.04002	0.9
151.07658	1.7
152.01166	2.6
153.01917	0.9
159.02972	1.1
161.02449	4.5
161.04565	9.6
161.06021	1.4
162.06821	0.6
163.07648	1.1
163.11232	3.9
165.09221	9.1
173.09763	0.9
175.07593	0.7
176.08408	4.5
177.05626	1.6
177.09155	1.4
179.03506	16.3
179.05580	5.8
179.07132	1.7
180.03836	1.1
191.10779	26.1
192.11136	1.7
194.09517	2.3
197.95180	0.6
203.10826	0.7
209.11819	48.7
210.12170	3.4
214.89128	0.7
221.04521	1.7
221.11827	6.1
222.12093	0.9
224.24780	0.6
237.11369	0.6
239.12877	49.9
240.13225	4.3
251.05559	0.9
271.43076	0.6
281.06616	4.4
281.13962	1.0
289.07288	3.2
330.13583	0.7
331.13971	3.5
383.17267	3.9
401.12906	2.8
401.18140	30.5
402.18472	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.8
57.03448	4.7
58.00598	1.1
59.01382	29.3
62.12886	0.5
69.03444	1.0
69.55707	3.5
71.01385	67.6
72.01717	1.5
72.99311	1.7
73.02950	24.3
74.99094	1.4
75.00873	1.7
75.15905	0.6
80.04548	0.5
83.01390	10.0
85.02954	34.8
86.00105	1.0
86.03293	0.7
87.00867	2.6
89.02448	8.4
95.01392	4.8
97.02971	2.8
99.00890	10.0
101.02445	57.9
102.02774	1.7
113.02448	25.0
114.02752	0.9
120.99629	0.7
125.02452	3.1
129.01932	1.7
131.03485	1.9
135.04617	0.6
136.99129	1.3
139.04219	0.5
143.03485	3.9
149.04578	1.3
159.02983	7.4
161.04558	54.5
162.04883	2.3
192.02219	0.5
195.14601	0.4
205.03522	0.8
228.32181	0.5
233.06636	0.9
269.10297	100.0
270.10648	11.9
401.14563	9.4
402.14731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11522	5.9
59.01385	93.4
61.98846	8.5
71.01389	70.2
71.36610	11.1
73.02965	13.5
75.00885	13.0
83.01392	6.8
85.02962	18.4
87.00870	12.5
89.02450	93.7
93.40816	7.5
101.02450	100.0
113.02474	42.7
119.03519	29.6
131.03520	12.8
143.03581	9.0
149.04695	6.6
154.38374	7.2
161.04544	19.0
179.05612	68.2
221.06636	26.5
221.24483	7.6
235.64285	7.4
341.10934	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
56.80600	0.6
59.01374	1.5
61.98832	7.9
69.03452	1.3
70.95208	1.2
71.01387	19.2
72.99333	0.7
73.02953	12.9
74.99081	1.2
85.02961	7.6
87.00882	57.9
88.01228	1.4
97.02953	1.7
100.01704	0.9
101.02435	3.5
107.47003	0.6
109.02948	2.2
113.02436	1.0
123.00941	1.0
127.04032	1.4
129.01959	0.9
131.03494	2.9
132.15689	0.7
135.04530	0.7
136.99203	1.0
145.05112	0.8
151.00380	8.4
152.00728	0.9
161.02443	1.3
163.04034	1.6
164.04762	1.0
165.05579	1.3
166.02715	19.8
167.03033	1.0
176.04800	1.3
177.02063	1.0
179.03409	3.9
179.07161	1.4
181.05078	21.0
182.99347	0.6
189.02167	0.6
190.02731	0.9
191.03490	2.1
191.07225	1.0
192.04277	0.8
193.05046	1.5
194.05841	2.1
203.03577	1.1
204.04283	1.0
205.05095	0.7
206.05827	1.5
207.06526	0.8
209.08192	3.7
219.02974	1.6
234.05391	1.1
237.07680	2.1
246.05490	0.8
249.07729	3.2
261.07739	0.9
265.07199	2.4
291.08508	0.9
295.08246	1.7
357.11807	0.8
401.10883	100.0
402.11240	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	401.1242
Annotation	Paraibanol
Peak:m/z	Relative Intensity
57.03444	4.1
59.01373	5.6
61.98825	3.3
66.19870	0.8
69.03456	1.6
70.94904	2.4
71.01395	5.1
73.02954	2.2
74.22506	1.0
77.93595	0.8
81.03464	4.3
83.01399	6.6
83.05033	1.4
85.02958	2.0
89.02445	1.9
93.03454	3.0
95.01403	2.8
95.05018	5.0
96.96030	1.1
97.02955	9.6
101.02447	3.6
108.02186	1.4
109.02958	26.0
109.06593	2.8
110.03270	0.9
111.04490	1.1
113.02451	1.6
119.03510	1.1
121.02937	6.6
122.03804	1.6
123.04524	19.5
124.39787	0.9
125.02450	22.5
125.06145	1.0
126.02756	1.2
135.04506	3.8
137.02444	20.8
138.03198	3.3
139.04008	5.7
145.02945	1.0
146.03757	1.7
147.04518	1.5
149.02457	6.5
149.06047	2.1
151.04053	10.8
151.07628	1.0
153.05559	1.3
159.03107	0.9
159.04515	4.2
160.05286	2.0
161.02451	5.1
161.04553	2.8
161.06071	6.8
162.03195	3.9
163.00392	1.8
163.03992	3.2
164.01158	5.5
165.01944	10.8
165.05618	1.2
166.02696	1.6
167.03519	3.1
173.06079	2.6
174.03217	1.0
175.03960	4.6
175.07657	3.2
177.01909	5.3
177.05592	2.8
179.03519	9.6
185.06046	1.2
187.04054	5.8
188.04803	6.6
189.05478	1.2
195.06619	9.2
199.07603	1.7
201.05576	1.6
202.06352	2.5
203.03499	1.7
203.07132	19.7
204.07457	1.5
205.05054	13.9
206.05484	1.5
207.06638	1.7
217.04964	1.4
221.08186	3.0
227.07132	2.8
231.03009	2.8
234.05299	1.5
245.08215	23.6
246.08469	1.8
247.06055	2.4
289.07184	100.0
290.07486	9.7
303.04648	1.0
357.09708	4.2
383.11481	4.0
383.16437	1.0
401.12387	53.6
402.12939	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40626	1.3
59.01395	2.8
61.98840	7.8
62.49872	1.5
68.99816	2.3
69.95145	6.9
71.01371	4.1
72.45882	1.8
72.99311	2.0
73.02956	3.9
74.99100	4.8
85.02945	5.1
87.00880	60.6
101.02456	3.1
111.18430	1.4
113.02441	3.3
121.02971	3.1
123.00880	5.8
126.45741	1.4
131.03464	2.6
135.04521	3.2
136.99126	4.8
138.03197	2.5
149.02455	5.4
150.03157	1.6
151.00423	3.3
151.03966	1.8
153.05533	2.8
161.02422	9.3
161.06108	1.7
163.04012	21.2
164.04796	15.4
165.05489	4.4
166.02692	7.4
173.02373	2.3
175.04004	4.8
176.04771	14.5
177.01907	5.2
177.05525	2.5
178.06337	19.5
179.03569	11.2
179.07140	34.6
181.05127	9.9
187.03938	2.5
188.04822	1.6
189.01874	1.6
190.02722	3.2
191.03513	24.5
191.07126	6.2
192.04218	3.4
193.05054	10.5
193.08685	4.6
194.05832	8.5
203.03529	8.6
204.04156	2.7
205.05046	9.6
206.05846	8.7
207.03040	3.5
207.06531	3.7
208.07355	2.3
209.08191	11.6
218.05864	3.6
219.02979	7.1
220.03851	2.4
221.04517	4.8
221.08214	10.6
233.93507	1.7
234.05342	3.2
235.02432	1.8
235.06175	2.5
236.06944	1.7
237.07587	4.6
238.04892	2.4
246.05292	1.8
247.02434	9.6
247.06052	3.9
249.07697	3.9
250.04805	4.1
251.09232	4.5
261.07504	2.2
262.04868	10.1
265.07175	71.2
266.07501	7.1
277.07190	29.9
278.07526	2.8
279.08841	1.9
287.50183	1.6
291.08664	2.0
295.08252	89.2
296.08514	8.6
325.09476	2.3
337.09067	3.9
355.10364	23.0
356.10779	3.6
383.09671	8.7
401.10889	100.0
402.11270	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	401.1091
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
59.01374	4.3
70.28309	3.9
71.01392	12.2
72.99338	1.3
73.02956	10.3
74.99079	2.2
80.46686	1.0
85.02963	7.8
87.00883	71.3
89.02446	2.2
95.22646	1.0
99.00851	1.2
101.02477	5.8
109.02959	2.9
111.00849	1.6
113.02426	2.8
119.03504	1.1
121.02983	1.5
123.00886	2.1
131.03503	2.6
136.99150	1.6
149.02411	3.1
151.00407	5.3
151.03995	1.8
161.02478	4.9
163.04004	5.7
164.04800	12.7
165.05540	4.4
166.02736	14.2
167.03044	1.1
170.30252	1.1
173.02542	1.2
175.03963	1.1
176.04738	5.7
177.05551	1.6
178.06375	5.0
179.03542	11.7
179.05663	2.1
179.07123	21.1
180.03992	1.2
180.07416	1.5
181.05074	15.6
187.04018	1.7
191.03467	7.4
191.07153	1.6
192.04298	3.1
193.05124	5.4
193.08698	1.7
194.05858	8.3
197.77759	1.0
202.06326	2.5
203.03551	2.0
204.04222	1.5
205.04999	3.3
206.05809	2.6
207.02948	1.5
207.06641	3.4
209.08224	10.3
218.05865	1.7
219.02988	4.1
221.04553	2.4
222.05376	1.3
231.02977	2.1
234.05334	2.3
235.05991	1.3
237.07611	3.8
246.05276	1.1
247.02496	2.7
247.06143	1.7
249.07729	3.4
261.07773	2.3
262.04767	2.6
265.07190	43.9
266.07480	5.1
277.07239	7.1
291.08908	1.1
294.57117	1.1
295.08252	23.0
296.08533	1.9
307.74573	1.1
309.09879	1.6
310.16266	1.2
325.09366	11.0
341.10977	2.1
355.10352	6.6
357.12158	1.3
383.09805	2.0
401.10886	100.0
402.11185	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36423	1.6
59.01386	3.5
61.98834	35.5
62.38949	1.4
69.03455	1.3
69.77164	1.2
69.95635	5.5
71.01385	5.2
72.99303	1.6
73.02943	6.7
85.02956	9.6
87.00883	69.3
88.01212	1.2
97.02962	2.1
98.20532	1.9
99.00887	1.6
101.02451	5.5
111.00870	1.6
113.02483	2.0
123.00876	1.9
127.71943	1.5
129.01996	1.7
131.03517	2.2
147.03128	1.5
149.02466	5.0
151.00397	4.7
153.05559	2.0
161.02438	4.0
163.04013	2.4
164.04790	20.0
165.05594	7.7
166.02727	11.7
166.06371	1.4
176.04753	3.4
177.01996	3.0
178.02756	1.7
179.03566	18.3
179.07137	46.0
180.03833	1.5
180.07419	3.0
181.05066	12.7
187.04004	2.5
191.03453	4.2
192.04292	2.4
193.05037	7.9
194.05890	13.8
202.06346	1.9
203.03459	3.9
204.04330	1.5
205.05031	2.4
206.05838	2.3
207.02982	3.2
207.06741	3.0
208.09090	1.5
209.08170	23.8
210.08548	1.8
219.03011	2.2
220.03755	1.9
222.05251	3.4
225.46332	1.3
231.03006	2.8
237.07762	4.8
249.07750	2.0
250.04814	1.9
261.07672	3.3
265.07184	100.0
266.07471	9.5
277.07071	1.9
279.08771	2.8
295.08246	3.5
308.95499	1.3
325.09290	23.6
325.12894	1.8
326.09863	2.6
383.09747	1.5
401.10910	95.1
402.11221	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	399.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	36.2
60.81498	0.6
70.14010	1.4
70.14400	1.3
75.00890	3.0
96.96049	0.9
98.95589	1.9
132.78726	0.5
146.62509	0.6
180.66165	0.7
269.38068	0.6
279.26831	1.0
295.30106	1.1
319.30115	4.4
320.30490	0.8
321.27847	1.2
337.31137	31.2
338.31473	5.1
339.29047	72.8
340.29425	10.8
341.26898	1.6
381.30157	12.0
382.30460	1.2
399.22430	2.4
399.31052	100.0
400.31390	17.6
400.36188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69030	0.8
55.01877	1.8
57.03442	3.2
58.00591	3.5
59.01380	72.7
60.01711	1.3
60.97524	0.9
61.98824	4.2
69.03429	1.0
69.66203	3.5
69.66612	1.6
71.01383	56.7
72.01730	1.3
72.99298	6.3
73.02945	7.6
73.98315	0.9
74.99103	39.2
75.00847	0.9
76.98699	1.8
81.03445	2.1
83.01389	5.6
85.02948	13.1
87.00866	6.8
89.02448	52.1
93.03427	0.9
95.01394	3.9
95.05038	1.7
97.02965	6.7
97.06565	1.0
98.19836	1.1
99.00888	2.7
99.04535	0.9
101.02447	66.2
102.02784	2.3
104.87192	1.0
107.05023	2.8
108.02171	2.1
109.01762	1.1
109.02956	15.5
109.06599	2.5
111.04509	0.9
112.33632	1.0
113.02448	19.9
115.00282	1.0
118.98108	2.4
119.03500	20.7
120.01197	1.5
120.99650	16.2
121.02945	3.3
121.06631	2.0
122.03735	5.5
123.04523	12.7
123.08167	1.2
125.02431	3.5
127.00402	0.9
131.03510	2.8
133.02940	7.2
134.03719	3.3
135.04527	100.0
135.08145	2.8
136.05304	4.5
136.99147	29.2
137.02412	4.0
137.06100	4.1
137.99449	1.0
139.04024	2.8
139.07602	3.5
143.03505	3.5
145.02829	0.8
147.08133	1.8
148.05292	0.9
149.02440	3.8
149.04559	1.7
149.06065	4.8
149.09741	1.3
151.03983	2.6
151.07628	1.6
152.01118	1.7
159.04456	1.7
161.02449	27.5
161.04550	7.5
161.06067	5.7
162.03156	1.9
163.03958	2.0
163.11238	2.3
164.22717	0.9
165.01941	1.9
165.05518	1.5
165.09183	6.0
169.08696	0.9
172.10864	1.4
173.09700	1.2
175.03967	1.9
176.08371	2.4
177.01778	0.8
177.05566	9.4
179.03494	91.6
179.05489	4.0
180.03825	6.5
187.03975	1.8
189.05490	2.1
191.03528	1.3
191.10762	15.4
192.11038	1.2
192.49361	0.9
196.63315	0.9
203.03473	2.0
203.07074	5.5
205.05069	6.8
209.11827	30.3
210.12112	1.8
221.04553	11.5
221.11789	3.8
238.10887	2.0
239.05600	1.5
239.12880	29.5
240.13284	2.5
245.08257	2.3
247.06108	2.1
251.05579	4.0
251.11096	1.2
281.06647	28.7
282.06894	3.3
285.11362	1.8
289.07205	23.8
311.07684	4.1
328.17664	0.8
331.13998	2.4
358.16504	2.6
383.17184	2.5
401.12433	5.3
401.18143	18.1
402.15302	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	3.5
57.03464	3.5
59.01092	2.5
59.01382	39.1
61.98809	3.9
69.03440	4.0
71.01385	48.0
71.63189	1.7
72.99306	3.5
73.02940	12.8
74.99084	10.1
79.63557	1.4
83.01384	6.2
85.02954	22.1
85.55439	1.4
87.00861	4.0
89.02451	16.1
95.01399	3.8
97.02916	1.6
99.00877	8.1
101.02448	52.9
113.02464	21.4
119.03502	6.5
120.99686	8.2
121.02934	9.7
125.02438	3.4
136.99121	10.4
137.02449	2.0
143.03499	2.5
159.02968	5.5
160.08943	1.9
161.04567	34.0
175.03964	1.9
175.11288	2.8
185.00929	2.3
205.03638	1.7
219.10234	3.3
251.11351	100.0
252.11615	7.7
399.12668	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	399.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
59.74059	0.6
61.98842	3.7
69.93702	3.0
71.01374	0.5
73.02991	0.5
83.05013	0.8
85.08054	0.5
87.04592	0.5
96.96015	4.9
98.20599	0.9
105.01925	0.5
108.02194	4.0
122.03743	7.7
123.04562	3.6
129.05571	0.8
135.08165	0.7
150.03226	100.0
151.03566	6.4
165.05569	66.5
166.05936	3.8
193.36119	0.5
220.14265	0.7
233.11858	17.3
234.12166	1.9
244.06805	0.6
244.26521	0.5
285.20721	2.3
295.66348	0.5
301.02853	0.8
317.21115	1.4
355.22568	0.7
399.18027	25.8
399.26389	1.7
400.18253	3.8
409.15524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01389	23.1
61.98520	1.4
61.98840	26.1
69.37382	10.6
69.85891	1.2
71.05047	1.5
83.05033	3.3
95.05043	3.4
96.96014	5.8
97.06625	2.2
98.19820	2.3
107.05008	2.2
109.06535	1.4
111.04543	1.3
121.02934	1.7
121.06609	4.2
133.06506	1.1
135.08170	2.2
147.08144	1.3
150.03212	2.5
152.01141	2.3
161.09779	1.8
163.11317	2.7
167.03546	2.0
189.12825	5.5
203.14406	4.2
205.15924	9.2
231.17529	3.1
232.44368	1.2
243.18034	1.3
257.19144	6.3
273.22266	71.9
274.22656	10.2
284.61606	1.3
316.66589	1.2
317.21234	100.0
318.21591	13.1
321.18335	4.3
339.19406	29.4
340.19739	3.6
355.22852	2.7
399.21451	61.8
399.25729	10.4
400.17334	2.6
400.21869	11.2
400.26224	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.254
Annotation	Earnesyl-DTBA
Peak:m/z	Relative Intensity
51.52205	1.9
55.43040	2.0
58.47332	1.7
59.01383	68.0
61.98827	2.4
64.81679	1.8
71.30598	3.9
83.04961	1.9
88.15014	1.9
269.18961	2.7
279.23260	5.4
319.30045	18.6
320.30408	2.5
337.25360	7.4
337.31277	4.7
355.26422	100.0
356.26700	14.0
363.28970	4.8
381.30154	7.8
399.25345	94.7
399.31085	63.0
400.25693	22.3
400.31427	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	399.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
61.98851	0.9
65.83715	0.6
71.01382	2.2
71.63439	0.9
89.02438	1.2
101.02438	3.0
111.08171	1.0
160.35989	0.7
160.55389	0.6
177.07846	0.7
261.22601	0.9
276.71057	0.7
279.23300	100.0
280.23669	12.3
308.69577	0.6
319.30240	1.1
337.27789	0.8
355.22079	0.9
381.26086	0.8
384.22836	0.8
399.20959	1.0
399.25885	4.0
399.31201	2.2
400.26154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	1.2
91.48907	0.5
93.52357	0.5
98.19809	0.9
99.02569	0.5
120.89684	0.8
281.24716	1.0
301.21732	11.8
302.21924	1.7
307.29810	0.7
309.31613	1.4
319.29871	2.6
335.29550	0.9
337.31152	18.2
338.31412	3.0
353.30606	32.8
354.30991	5.1
355.22928	0.6
363.29333	1.1
381.30069	1.6
399.31143	100.0
400.31482	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	399.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33286	0.6
56.01545	0.5
57.03458	0.6
59.01380	5.7
60.97547	1.2
71.01389	3.7
71.62793	1.0
72.99305	0.8
73.02919	0.6
73.98321	3.1
74.99103	100.0
75.99442	1.3
78.69485	0.6
79.22652	0.6
81.55379	0.8
85.02953	0.9
87.00892	1.8
89.02453	2.5
93.03474	1.2
101.02452	2.1
109.02964	0.6
113.02437	0.7
119.03490	0.9
119.05064	1.5
120.99692	2.6
123.04557	0.7
125.02435	0.7
125.99510	0.7
135.08232	0.7
136.99159	91.7
137.99472	2.2
145.02962	1.4
153.01932	0.7
160.08975	1.2
161.02443	1.2
163.04015	2.6
175.11270	3.4
215.10756	0.9
219.03000	2.3
219.10345	4.8
247.09729	0.8
249.09579	2.5
256.82123	0.6
261.11316	3.2
311.09677	1.0
343.38132	0.6
356.13428	0.7
381.18750	0.8
399.11581	4.6
399.16077	1.2
399.20444	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	397.3321
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
50.13341	0.4
57.03439	0.6
61.79171	0.3
69.18287	0.3
69.53580	0.9
69.53986	2.0
74.71569	0.3
84.19542	0.4
87.86959	0.4
94.39838	0.4
95.18984	0.3
96.96017	2.3
155.47867	0.4
187.38678	0.4
201.60419	0.4
307.29858	0.5
333.31592	1.4
335.33173	65.0
336.33502	11.6
353.34158	1.3
379.32135	15.7
380.32495	2.3
397.33206	100.0
398.33542	19.0
404.68692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44689	1.4
59.01391	19.0
99.92588	77.1
100.92603	4.4
104.49358	1.5
115.92082	14.1
116.92855	10.6
118.89977	100.0
119.89977	6.7
134.89474	10.1
135.89415	1.9
135.90277	20.7
141.93585	2.1
150.88974	7.0
177.41620	1.7
220.04903	1.9
225.66988	1.6
229.31993	2.1
233.01407	1.7
362.15546	15.7
363.15872	4.5
398.13196	66.6
399.13440	12.3
399.34790	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	399.0725
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
57.03444	1.9
58.96697	0.8
59.01385	6.7
61.98838	6.9
67.06907	0.8
69.03452	1.2
69.45786	2.7
69.46209	4.0
71.01392	4.3
72.99320	2.2
73.02953	1.6
74.99103	2.9
75.00902	1.1
76.92621	0.9
83.01411	1.8
85.02943	1.5
87.00883	5.1
89.02457	1.5
95.05058	0.9
97.02952	1.5
99.04549	1.0
101.02438	2.5
109.02943	2.6
113.02446	1.0
117.03474	1.3
121.02927	2.0
123.04586	1.3
124.01652	1.0
125.02459	7.2
131.05023	3.1
133.06599	1.8
136.99135	2.1
137.02435	9.9
143.05022	1.5
143.25075	0.9
145.03001	1.1
149.02409	1.0
149.06017	1.7
151.00682	2.2
151.04051	1.0
153.01877	1.0
159.04514	9.5
160.04854	1.3
161.04611	1.1
161.06073	1.9
162.03151	1.1
163.04077	1.3
165.01956	9.2
175.03975	3.0
177.05551	3.8
179.03481	1.2
187.04018	41.3
188.04520	3.7
189.01933	1.9
189.05534	3.7
190.02615	2.1
191.03458	1.9
192.07947	1.7
193.01367	1.5
193.08760	4.7
203.03514	6.3
204.04245	2.4
205.05086	17.5
206.05473	1.9
207.02980	4.9
215.03529	13.0
216.03990	1.3
217.05042	1.1
218.05811	3.2
227.03528	2.0
231.02959	4.0
232.03658	1.7
233.04559	100.0
234.04907	9.9
236.06833	4.8
243.02960	1.0
245.04427	1.5
245.21283	0.9
247.09644	2.3
253.04933	1.3
255.02953	3.2
259.02332	2.1
260.03275	2.3
261.04025	18.7
262.04279	1.6
267.06577	0.9
271.06049	1.2
273.04047	6.8
285.07568	1.5
294.05237	1.2
295.06052	1.7
311.09573	2.4
313.07159	2.6
327.08786	1.5
337.07043	2.4
355.08289	2.2
381.06140	4.2
399.07117	27.5
399.12668	12.0
399.20352	3.1
400.07379	3.9
400.21384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
61.98825	7.0
63.71078	1.1
63.82754	1.1
71.01382	2.6
71.64234	2.1
83.05038	1.3
89.02465	1.8
97.06612	1.7
98.53276	1.2
101.02460	2.0
105.08991	1.0
105.82622	1.1
116.68217	1.1
128.65829	1.1
142.97153	1.1
161.04648	1.3
171.88995	1.0
199.11316	3.3
233.15518	1.7
271.20554	1.6
277.21732	100.0
278.21979	10.2
304.42374	1.4
315.19662	3.2
316.20197	1.4
353.38931	1.1
397.19318	1.4
397.23978	6.6
397.29590	2.0
418.44046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56394	1.0
55.57507	1.0
57.03449	7.9
59.01387	11.1
61.98848	6.2
68.66147	1.0
69.03455	19.6
70.58205	1.2
71.01363	1.9
71.05024	21.4
71.62689	1.3
73.02948	4.3
81.03461	7.9
83.05021	15.7
85.02928	1.1
97.06600	2.2
99.04524	11.6
101.02457	1.7
107.05006	1.6
109.06582	14.2
121.06638	1.3
122.50401	1.1
123.08147	2.3
125.09779	1.2
127.07652	100.0
128.07979	3.8
139.11285	2.2
166.04073	0.9
169.12366	1.6
179.14413	1.3
181.12383	1.6
203.14455	1.5
221.15623	1.5
223.17149	1.4
225.15031	1.5
233.15407	3.4
249.14964	2.5
251.16495	18.3
252.16858	1.7
253.14578	1.8
269.17563	54.6
270.17758	5.8
287.18600	2.5
290.25739	1.1
313.16562	12.3
314.16898	1.3
387.63403	1.1
397.25955	47.2
398.26074	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	397.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22161	0.7
59.01366	1.4
61.36781	0.6
71.04996	1.2
71.13242	1.1
79.95731	4.1
83.05003	0.8
84.38987	0.6
86.73443	0.8
94.98082	0.7
95.95245	1.5
96.96017	32.8
99.00885	3.6
99.92701	0.8
113.04294	0.7
122.97591	2.1
129.09175	1.1
142.02589	0.8
279.23242	4.3
279.26871	4.3
317.28519	2.5
335.29529	11.8
336.29874	1.6
351.29129	1.0
353.30600	12.6
354.30899	3.0
361.27487	26.3
362.27902	4.4
379.28531	22.3
380.28839	4.0
397.22675	34.6
397.29535	100.0
398.23129	4.7
398.29846	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2387
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
51.18713	1.4
59.01381	5.6
61.65745	1.3
61.98838	43.7
66.18151	1.2
71.01396	1.6
71.05045	1.6
71.17661	2.4
78.64548	1.4
83.05037	2.3
85.06574	1.4
89.02547	1.6
95.05047	2.0
97.06595	5.4
98.22191	1.6
101.02419	2.2
107.05061	1.6
111.04469	1.5
113.06091	1.7
120.05873	2.2
121.06593	19.4
123.04555	3.1
123.08175	3.2
135.04515	12.6
135.08177	2.0
147.08205	1.7
148.05309	5.0
149.06107	5.2
149.09769	2.1
163.04015	3.9
163.11276	2.9
175.11310	1.8
189.12843	35.3
190.13213	2.0
205.12280	3.0
215.10725	4.0
217.12343	15.7
218.12415	1.6
257.19083	2.6
284.17892	3.2
285.18600	4.8
313.18112	3.2
315.19620	31.1
316.20013	3.7
325.25354	5.0
325.28998	1.7
327.19629	2.7
335.23846	4.3
353.24921	8.8
379.22919	2.5
397.23923	100.0
398.16113	8.6
398.24170	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01711	1.7
61.96486	1.0
71.01383	0.8
78.95660	0.8
85.03019	0.8
89.02463	1.0
95.01281	0.8
118.58191	0.8
127.07665	11.1
129.09264	1.5
134.03732	1.1
163.11160	1.1
177.77522	0.8
183.13983	3.9
195.13901	4.6
260.90900	0.8
277.21722	23.4
278.22089	1.7
287.22238	3.5
291.77280	0.9
295.22781	34.9
296.23090	4.9
313.23877	5.1
337.23907	4.9
355.24927	9.0
356.25269	1.1
366.89413	0.8
397.23819	9.3
397.29462	3.9
398.24280	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27518	0.5
53.43482	0.6
59.01373	3.5
71.01381	4.7
71.45345	1.1
89.02435	2.0
95.74528	0.6
97.06573	1.3
101.02451	3.8
106.57623	0.7
119.03497	1.1
126.21859	0.6
185.09769	0.7
277.21719	100.0
278.22055	12.2
278.24857	1.1
364.32907	0.7
397.23788	4.0
397.29504	1.6
398.24261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2385
Annotation	Sarcotin C
Peak:m/z	Relative Intensity
51.84902	1.1
55.01870	2.7
57.03448	2.1
58.00590	3.0
59.01384	42.1
61.98834	14.9
68.99809	1.4
69.03458	4.3
71.01388	39.0
72.01704	1.2
72.99307	2.9
73.02941	8.4
81.03438	1.4
83.01379	4.8
83.05010	2.8
85.02951	7.2
87.00880	7.4
89.02448	31.6
91.03980	1.9
92.84719	1.1
93.03494	1.1
93.89622	1.3
94.35326	1.2
95.01395	2.9
95.05048	1.6
97.02975	7.3
97.06602	10.8
98.20744	2.3
99.00901	1.6
101.02450	30.9
103.08323	1.1
109.02991	1.8
111.04515	3.7
113.02457	14.2
115.04027	1.4
119.03522	9.5
120.05823	1.8
121.06602	25.7
121.79490	1.0
123.04485	2.7
123.08160	2.9
125.02457	8.6
131.03502	2.1
133.05040	2.1
133.06616	1.8
135.04547	15.7
135.08151	2.1
139.04010	2.4
143.03534	4.7
148.04167	1.6
148.05276	7.7
149.04472	1.0
149.06108	7.6
161.04562	4.8
163.04004	5.6
171.43092	1.2
173.09779	1.5
179.05617	2.2
184.08847	1.1
187.07695	2.5
187.11337	1.3
189.12865	22.9
199.11278	1.2
202.10098	1.6
205.12309	1.4
217.12355	19.3
218.12657	2.5
221.06702	2.1
229.21725	1.1
235.08133	6.5
257.19070	3.1
261.11267	2.0
277.21729	53.3
278.22110	7.2
284.17529	2.1
285.18594	4.5
325.25345	2.4
335.23718	2.8
353.24854	6.0
354.25037	2.1
379.22809	1.9
397.13522	31.7
397.23822	100.0
398.13611	3.3
398.24164	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	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.2
57.03459	5.7
58.00586	3.5
59.01384	82.6
60.01708	1.0
61.98831	5.3
65.17744	0.8
69.03453	3.6
69.53701	6.3
71.01386	100.0
72.01730	1.0
72.99305	5.0
73.02953	37.8
74.03262	0.9
75.00870	2.9
78.95908	0.8
81.03454	1.5
83.01395	25.9
85.02956	44.6
86.03272	1.3
87.00884	6.3
87.04513	1.0
89.02450	30.5
89.06052	0.9
90.02747	0.9
95.01398	6.5
96.96941	1.7
97.02944	4.1
97.71356	0.8
99.00883	13.3
101.02451	99.2
102.02785	2.4
103.04016	8.7
106.60387	0.7
111.00874	1.8
113.02452	35.1
114.02776	1.0
115.03979	2.8
117.05622	0.9
119.03509	8.4
125.02469	11.6
127.04035	0.9
129.01915	2.1
131.03485	4.2
141.01930	0.9
143.03517	7.7
145.05084	2.5
149.04527	1.5
159.03027	8.8
161.04568	60.1
162.04904	2.7
163.06155	15.2
191.72331	0.9
205.03520	2.4
205.07243	4.2
218.08353	0.9
229.07224	2.7
233.06699	0.9
237.48482	0.8
247.08170	6.5
251.11363	69.6
252.11589	5.7
265.12930	56.3
266.13379	4.7
279.10596	1.1
307.10275	1.8
397.17181	50.3
398.17413	6.5
424.88156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.3
57.03445	5.6
58.00589	4.4
59.01380	91.4
60.01708	1.7
61.98835	4.8
69.03445	3.8
71.01383	95.7
71.11868	2.2
72.01724	2.1
72.31506	0.9
72.99312	5.6
73.02946	40.7
75.00875	3.5
81.03461	1.6
82.04805	1.0
83.01383	25.7
85.02953	45.4
86.03316	1.7
87.00885	6.7
87.04495	1.4
89.02442	26.7
95.01373	6.5
96.96964	2.6
97.02935	3.9
99.00888	14.2
100.88678	1.1
101.02446	100.0
102.02791	2.8
103.04019	9.3
111.00877	1.8
113.02450	35.0
114.02820	1.1
115.03967	1.2
117.05578	1.9
119.03521	8.1
125.02451	8.8
129.01936	1.8
131.03511	3.5
137.02422	1.0
143.03488	7.4
145.05026	2.1
149.04510	1.2
153.05615	1.5
159.02989	10.4
161.04559	54.5
162.04883	3.1
163.06126	17.3
205.03362	1.6
205.07108	6.3
218.04587	1.2
229.07132	1.9
247.08235	5.2
251.11360	88.6
252.11731	8.5
265.12912	52.8
266.13400	3.5
304.68848	1.0
379.04727	1.2
397.17136	51.6
398.17514	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	397.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16280	0.5
51.18570	0.5
59.01378	3.2
61.98833	11.7
63.42158	0.4
71.01402	0.6
80.66836	0.5
81.57247	0.4
83.05033	0.7
96.96028	0.6
97.05670	0.5
107.05099	0.5
108.02170	3.2
111.96212	0.5
122.03736	6.6
123.04552	2.8
137.02335	0.8
139.99879	0.5
147.08167	1.2
150.03223	100.0
151.03560	4.9
151.98065	0.6
165.05566	74.5
166.05884	5.2
177.35161	0.6
186.24789	0.5
187.91685	0.5
203.10742	1.4
231.10252	19.2
232.10574	1.6
303.19653	4.9
304.20023	1.0
358.84460	0.6
379.65424	0.6
397.16336	7.8
397.24295	2.9
398.16800	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
61.98833	3.9
65.72440	0.3
69.42672	2.0
69.43069	0.6
101.02467	0.4
108.02171	3.5
116.52799	0.3
122.03748	7.2
123.04568	2.5
132.11987	0.4
137.02463	1.2
150.03235	100.0
151.03566	4.8
159.11795	0.9
165.05577	67.7
166.05899	3.7
183.72353	0.4
203.10759	0.9
231.10275	18.5
232.10620	2.0
279.23312	0.4
315.19644	0.4
353.24988	0.4
369.11169	0.5
397.11221	0.9
397.16379	13.3
397.24396	0.8
398.16718	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	397.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
59.01384	1.3
61.98825	0.8
69.95231	1.1
69.95621	0.4
71.01379	0.4
78.32407	0.2
81.03454	0.6
82.38001	0.2
92.49866	0.2
93.03471	0.2
98.20529	0.3
108.02189	1.2
109.02959	2.2
136.01668	6.3
137.02446	100.0
138.02774	4.5
150.03290	0.3
152.01181	0.7
153.01952	1.2
167.07056	0.2
181.59113	0.2
211.20012	0.2
219.13884	0.3
244.49702	0.2
269.17633	0.3
397.16510	22.6
397.23987	1.0
398.16769	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	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.2
57.03440	4.7
57.06321	2.1
58.00599	6.0
59.01381	100.0
61.98826	7.9
65.21140	2.0
69.03456	6.8
71.01387	90.0
72.99310	9.1
73.02952	19.2
83.01400	10.7
85.02960	17.6
86.00100	2.3
87.00889	22.0
89.02449	73.4
90.02775	2.9
93.03483	2.1
95.01398	8.0
97.02969	17.9
98.19855	7.4
99.00884	6.9
100.77641	2.0
101.02448	72.9
102.02742	2.2
109.02969	3.2
111.00919	2.6
111.04507	4.3
113.02452	31.7
119.03497	25.9
119.80277	2.3
121.02978	4.3
125.02447	26.1
131.03499	4.0
133.05101	4.1
139.04091	2.7
143.03488	10.3
161.04570	11.6
163.04074	2.2
169.05063	2.5
179.05624	4.2
191.02179	2.1
207.42566	2.2
215.14420	2.0
217.07086	2.2
221.06760	3.9
229.79854	2.6
235.08257	17.7
246.23738	2.3
287.07791	2.4
303.04901	2.1
315.19659	27.2
316.20123	3.2
339.26358	2.4
350.36194	2.4
353.24841	4.5
379.12616	3.2
382.21689	2.4
397.13541	80.9
397.19180	4.3
397.24020	16.7
398.13834	6.6
420.86203	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	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10608	1.0
55.01868	3.4
57.03448	2.4
58.00574	1.5
59.01383	40.4
61.98521	1.0
61.98833	14.5
63.44313	1.0
66.27411	1.0
68.86084	0.9
69.03449	4.5
71.01383	34.9
71.12565	2.2
72.99305	3.4
73.02949	9.0
74.62447	0.9
75.00885	1.1
81.03445	2.3
81.91861	1.1
83.01385	4.5
83.05005	2.1
85.02953	7.8
87.00884	7.6
88.46353	1.1
89.01910	1.5
89.02446	26.9
92.73540	0.8
95.01369	2.7
95.05007	1.6
97.02975	6.8
97.06586	11.4
99.00864	3.2
101.02448	29.4
107.05042	1.4
109.02966	2.0
111.04510	4.2
113.02441	12.2
119.02852	0.9
119.03510	9.3
120.05801	3.7
121.03000	1.2
121.05786	1.6
121.06597	21.6
122.03649	1.0
123.04552	2.7
123.08148	2.9
125.02432	9.6
131.03496	1.8
133.05095	2.2
133.06532	1.5
135.03464	1.2
135.04523	19.9
135.08096	1.2
136.04861	1.5
143.03465	3.3
147.08142	1.0
148.05330	6.1
149.06090	5.4
157.16203	1.1
161.04510	4.6
161.05853	1.4
163.04005	6.1
163.11301	1.3
169.04971	1.7
173.09669	1.3
179.05637	2.5
187.07582	1.6
189.12839	20.7
205.12256	1.5
211.21797	1.0
213.09315	1.1
217.07095	1.3
217.12318	18.5
218.12694	1.7
221.06567	2.4
235.08234	9.2
245.06728	1.1
257.19141	1.7
277.21719	39.6
278.22113	3.3
283.07776	1.1
284.17926	1.6
285.18576	4.4
325.25381	1.6
335.23788	3.5
353.24905	5.7
354.25156	1.4
379.22845	2.1
397.13486	29.9
397.23798	100.0
398.13742	3.9
398.24149	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58109	1.0
71.37390	2.2
78.10523	0.9
91.20309	0.8
119.49049	0.9
215.04208	0.9
221.03844	0.9
230.94058	0.9
239.64095	0.9
268.11575	1.1
335.33292	1.2
351.32858	1.4
395.35287	100.0
396.35715	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	396.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65332	0.3
59.01374	0.7
71.38710	0.5
71.39062	0.7
72.78601	0.3
96.96017	1.9
97.93125	1.1
99.92589	56.9
100.92611	3.9
111.68850	0.3
114.23143	0.4
115.92087	10.5
116.92135	0.7
116.92863	9.0
117.92916	0.7
118.89981	100.0
119.89999	6.6
134.89474	6.6
135.90259	17.8
136.90251	1.2
141.93649	0.9
150.88962	6.8
157.86266	1.0
161.91780	0.4
190.91959	0.4
222.91066	0.4
225.92247	0.4
277.21817	0.5
360.13986	10.8
361.14203	2.7
381.01096	0.4
395.31775	0.7
396.11652	38.5
397.11929	8.2
397.22632	2.4
397.33365	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	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68683	1.4
53.67241	1.4
54.04800	1.3
54.11333	1.9
54.51798	1.4
55.01864	5.3
57.03422	1.5
58.00590	6.1
59.01386	100.0
60.01691	2.0
61.98828	4.7
69.03465	5.1
71.01388	98.1
71.05010	1.8
71.11558	3.9
72.01715	2.1
72.99310	11.7
73.02957	21.8
73.46216	1.5
75.00889	2.8
81.03465	5.6
83.01387	11.1
83.05048	3.0
85.02960	21.5
85.69576	1.5
87.00890	18.6
89.02455	76.6
89.58676	1.7
91.04008	3.3
91.73424	1.7
91.92992	1.8
95.01396	8.4
97.02961	19.1
99.00888	7.9
101.02454	73.3
101.51432	1.7
102.02787	2.5
102.09212	1.6
103.04039	2.8
107.04955	2.2
109.02929	1.5
111.04516	5.0
113.02462	32.2
119.03519	26.9
119.79725	1.8
121.02950	2.7
123.00859	1.8
123.04517	2.1
124.01703	1.6
125.01622	2.1
125.02467	28.8
131.03487	4.1
133.05089	5.7
139.04007	3.9
141.01915	1.8
143.03523	11.8
149.04533	1.8
161.04552	13.2
162.56602	1.7
163.04079	2.6
163.11272	2.0
163.37509	1.8
165.89560	1.7
169.05080	2.9
179.05640	6.6
199.00868	2.0
199.06061	1.8
200.27438	1.7
217.07272	3.4
221.06673	5.3
235.08223	19.7
245.06573	1.9
262.02353	2.1
263.07507	1.7
277.21750	26.8
278.22076	2.6
302.23297	1.8
323.09955	2.0
361.11099	2.0
379.12393	2.3
379.29187	2.1
397.13528	79.2
397.23822	6.8
397.29245	2.1
398.13913	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.2
61.98812	0.8
62.69277	0.7
71.01361	1.6
78.95900	17.3
87.98303	0.7
93.90217	0.6
96.96960	1.1
98.19748	1.1
113.08154	0.6
117.01955	1.6
135.02980	1.1
139.61601	0.8
152.98331	1.2
152.99590	22.6
241.21800	1.1
246.87036	0.7
277.21713	100.0
278.22067	12.8
279.61310	0.9
295.13300	3.3
311.16681	0.9
395.22275	8.9
395.27698	1.6
396.22760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.98831	1.3
65.12238	0.6
71.01389	1.6
71.63122	0.9
75.00847	0.7
78.95918	4.2
80.89833	0.6
89.02419	0.8
117.01945	3.1
135.03011	1.5
135.53499	0.7
152.99617	6.9
162.03261	1.7
177.05592	1.0
228.14188	0.6
259.20547	0.7
277.21725	100.0
278.22067	14.8
278.24506	0.5
343.83490	0.6
395.15710	0.7
395.22791	2.0
395.28006	0.8
395.32074	1.0
396.24792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.8
57.03460	3.9
58.00554	2.8
58.00819	1.1
59.01384	50.1
60.01688	0.9
61.98789	2.3
69.03443	1.3
71.01388	64.0
71.01753	2.2
71.63310	1.2
72.99277	2.8
73.02958	22.3
73.03342	0.9
75.00838	1.6
78.08557	0.6
83.01402	13.6
85.02958	28.4
86.00070	0.9
86.03242	0.8
87.00848	2.8
89.02453	24.1
91.75520	0.7
95.01360	3.0
97.02912	3.0
99.00890	9.5
101.02452	61.3
102.02754	1.6
109.18789	0.7
111.00916	5.5
113.01713	1.2
113.02460	22.1
115.03916	0.9
119.03492	1.2
119.04958	0.6
125.02467	3.8
129.01912	1.3
131.03516	14.6
137.02480	0.8
143.03441	3.1
149.04559	6.0
159.03024	3.7
161.04576	18.3
162.04927	0.7
165.60651	0.7
171.10329	0.8
191.05568	0.9
195.06630	1.2
215.05513	0.9
233.06656	2.2
238.40747	0.8
245.13985	0.8
263.14999	100.0
264.15390	7.7
307.14081	1.5
395.19296	43.0
396.19711	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	395.1922
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01879	5.3
57.03452	3.7
58.00600	1.3
59.01380	29.1
69.03479	0.9
69.56881	3.8
71.01384	38.2
72.01720	0.7
72.99321	1.5
73.02946	17.7
73.03326	1.0
75.00896	1.1
83.01393	10.5
85.02951	23.4
86.00128	1.0
86.03308	0.7
87.00904	1.8
89.00071	0.5
89.02444	7.1
90.51205	0.6
95.01422	2.4
97.02990	1.4
99.00877	6.9
99.08142	0.9
101.02444	47.5
102.02795	1.1
104.40872	0.6
109.04995	0.6
111.00902	1.1
113.02457	16.4
113.03233	0.9
113.16837	0.5
115.04049	0.6
125.02474	1.6
129.01967	1.6
131.03554	1.2
143.03549	1.6
149.04622	0.7
159.02953	3.0
161.03207	1.0
161.04556	17.3
161.05853	1.1
171.10278	1.0
233.06853	0.8
263.14996	100.0
264.15317	9.4
295.24182	0.6
307.13895	0.8
395.19196	17.9
396.19666	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03446	3.9
58.00583	1.5
59.01378	33.8
59.91464	0.4
60.01696	0.5
61.98825	2.0
64.08717	0.3
69.03459	1.1
69.52808	0.8
69.53223	1.6
71.01381	40.4
72.01717	1.0
72.99305	2.3
73.02944	21.0
74.03269	0.3
75.00871	1.1
75.40336	0.3
81.03456	0.8
83.01386	16.1
84.01711	0.6
85.02952	23.4
85.06553	0.5
86.00105	1.2
86.03290	0.9
87.00882	2.3
87.04512	0.4
87.08164	0.6
89.02442	5.0
95.01387	2.8
97.02944	1.9
98.19806	0.7
99.00881	7.2
99.04477	0.6
101.02442	52.6
102.02785	1.2
103.04010	2.0
106.74480	0.3
107.31773	0.3
111.00877	0.9
111.33678	0.3
113.02448	16.3
114.02755	0.7
115.04050	0.6
119.03496	1.1
121.70573	0.4
125.02451	2.6
129.01918	1.3
131.03557	0.6
131.22119	0.3
137.02414	0.9
143.03506	1.8
145.05086	1.0
157.08670	0.6
159.03009	3.7
161.04555	17.9
162.04895	0.9
163.06140	0.7
205.03606	0.7
229.07118	1.2
247.08293	0.9
249.13420	100.0
250.13747	7.4
293.12439	1.0
395.19208	27.9
396.19620	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	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03449	79.5
59.01381	100.0
59.14748	1.1
60.99303	3.1
61.98835	2.7
69.54533	7.6
71.01389	17.3
73.02956	7.9
81.03446	1.4
83.01395	3.7
83.05033	1.2
85.02960	11.1
87.00887	1.4
88.98811	18.1
89.02429	5.7
95.01385	1.7
99.00879	3.6
99.04526	74.4
100.04854	2.4
101.02447	35.0
106.71880	1.1
113.02442	10.1
119.03447	1.9
125.02446	28.3
128.03534	1.5
130.09404	1.0
136.07458	1.1
143.03555	2.2
147.41754	1.3
159.03017	1.8
161.04572	11.4
162.91061	1.0
220.83655	1.2
233.10255	2.1
251.08841	2.3
251.11365	38.2
252.11696	3.3
292.10437	1.1
293.12479	7.4
333.15491	2.1
335.17062	2.6
395.15500	5.8
403.44577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11238	0.2
52.69015	0.2
55.01877	4.4
57.03446	3.4
58.00592	1.3
59.01379	30.6
60.01708	0.4
61.98831	0.9
67.01900	0.2
67.67880	0.3
68.99824	0.4
69.03458	0.9
69.05481	0.3
71.01383	36.4
71.62166	0.3
72.01719	0.6
72.99317	2.4
73.02949	20.4
74.03267	0.3
75.00884	0.9
81.03451	0.7
83.01387	15.0
84.01695	0.3
85.02951	24.5
85.06593	0.5
86.00098	1.2
86.03278	0.6
87.00874	2.2
87.04568	0.3
87.08127	0.7
89.02448	5.5
93.03453	0.5
95.01373	2.9
97.02950	1.3
98.03335	0.3
99.00887	7.5
101.02444	51.7
102.02781	1.2
103.04044	1.3
111.00892	1.0
113.02447	16.3
114.02840	0.5
119.03506	1.1
125.02453	2.5
129.01941	1.2
131.03513	0.4
137.02455	2.2
143.03520	2.0
145.05046	1.1
157.08693	0.4
159.02980	3.4
161.04556	18.5
162.04875	0.8
163.06114	1.1
179.05565	0.3
205.03590	0.7
223.03094	0.3
229.07117	0.8
247.08211	1.2
249.13422	100.0
250.13771	8.0
293.12448	1.1
334.18210	0.3
395.19211	24.7
396.19595	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	395.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66492	1.4
55.01863	2.0
57.03451	100.0
59.01380	87.0
69.62495	10.7
71.01389	24.1
73.02956	10.9
83.01395	4.5
85.02957	14.1
87.52264	1.7
89.02438	6.3
99.00903	2.4
99.04526	76.1
100.04840	2.5
101.02444	44.2
113.02446	11.5
119.03532	2.2
125.02454	32.7
143.03481	2.7
159.02997	1.8
161.04573	16.8
210.89026	1.6
251.11348	52.8
252.11641	5.1
259.87787	1.6
293.12329	9.0
293.91721	1.4
294.42740	1.7
295.97214	1.5
333.15381	2.3
394.89182	1.6
395.15695	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	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13209	1.4
55.89637	1.3
56.41243	1.3
57.03449	92.3
58.03777	2.4
59.01382	100.0
61.98829	3.2
69.57283	10.3
71.01389	27.2
73.02952	12.4
73.81319	1.3
80.82592	1.2
83.01388	5.2
85.02947	12.2
89.02446	4.7
94.45446	1.4
99.00871	2.8
99.04521	70.8
100.04872	3.2
101.02441	39.4
113.02464	11.3
114.28834	1.3
125.02451	35.0
128.03415	1.7
143.03481	3.4
159.03020	3.5
161.04561	16.0
233.10277	3.9
251.11372	55.2
252.11694	2.7
293.12488	10.9
335.09885	2.2
395.15494	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	395.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19247	2.9
50.98903	2.2
57.03190	3.4
57.03451	46.6
59.01379	100.0
60.99309	4.9
61.98823	11.1
70.15220	4.8
70.15629	9.3
71.01385	27.7
72.99326	2.1
73.02936	9.3
83.01383	5.4
85.02959	10.8
87.00883	4.3
88.98796	17.2
89.02457	18.8
93.03469	5.3
99.00854	3.6
99.04525	42.4
101.01855	4.3
101.02451	42.8
101.04297	5.7
113.02419	10.8
119.03482	4.8
125.02469	20.5
125.03332	3.7
125.09741	3.3
134.03549	3.2
137.02455	12.7
153.09125	3.2
159.02942	3.6
161.04553	15.9
171.10207	8.3
173.08121	15.2
176.04672	7.2
179.03470	3.1
198.99638	2.2
215.09258	5.3
219.05270	2.8
233.10260	10.7
239.05550	4.4
239.55244	2.2
251.11362	27.8
263.11462	3.3
293.12347	4.9
304.19031	2.5
335.06345	2.6
335.13516	5.9
335.17169	5.0
395.10849	3.8
395.15472	46.1
396.15982	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	395.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82887	0.6
55.01892	0.8
57.03448	2.6
59.01377	11.0
61.98829	1.5
62.62535	0.6
69.65955	4.2
69.91215	0.6
71.01389	4.3
73.02952	1.7
76.19370	0.6
81.03448	3.4
83.01396	3.7
84.81547	0.6
85.02958	2.7
89.02414	0.7
93.03465	7.7
95.01376	1.3
95.05024	3.4
97.02955	6.5
99.04524	1.0
101.02462	2.9
107.05022	0.7
108.02206	1.8
109.02963	30.7
113.02451	1.4
119.05103	0.9
121.02970	3.7
122.03733	0.9
123.04535	18.7
125.02455	13.8
135.04514	2.9
137.02452	14.1
138.03127	0.6
139.04016	6.9
144.53065	0.8
145.02945	1.7
145.06651	0.8
146.03729	1.4
147.04506	0.8
149.02435	7.0
150.03224	1.3
151.04034	10.8
157.06580	0.8
159.04530	2.8
160.05240	2.0
161.02437	2.2
161.04715	1.1
161.06093	4.4
162.03162	1.9
163.04008	1.2
164.01118	3.6
165.01936	4.4
167.03529	2.0
173.06018	0.9
175.04030	2.4
175.07631	1.1
176.01210	0.9
177.01985	0.9
177.05603	1.2
178.02757	0.7
179.03526	6.8
185.06041	0.7
187.04013	4.4
188.04794	4.3
191.03462	1.9
202.06404	2.4
203.03621	1.1
203.07135	13.8
204.07489	1.2
205.05074	8.6
213.05595	2.1
215.07132	9.9
221.08272	3.4
227.07129	2.0
230.05757	0.9
243.06638	1.3
245.08200	18.0
246.08569	1.2
247.06020	1.6
257.08170	2.5
257.10580	0.7
263.15027	5.8
271.06046	0.9
289.07196	100.0
290.07559	10.2
301.07193	13.8
302.07535	1.6
335.20749	1.0
395.11414	4.9
395.17184	1.8
396.11856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24305	1.8
56.48862	1.7
58.52774	1.8
59.01361	2.9
61.98833	100.0
70.60182	3.9
70.60585	3.5
75.48081	1.9
79.21032	1.7
82.42371	1.6
83.05035	2.2
91.15540	1.9
96.96016	1.8
141.46126	1.7
179.16960	1.8
212.31941	1.8
246.12288	4.0
387.09918	1.7
394.08405	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	395.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	80.6
58.03777	1.8
59.01379	100.0
60.99307	13.7
61.98820	3.0
64.22346	1.4
68.05055	1.6
70.94908	1.6
70.95249	2.6
71.01377	24.1
71.61689	1.4
72.56532	1.6
72.99316	1.5
73.02589	1.4
73.02931	7.8
75.00860	1.3
76.21811	1.2
78.52739	1.5
81.03445	1.6
83.01394	4.7
85.02943	11.7
87.00887	2.2
87.04535	1.6
88.98808	94.6
89.02457	7.9
99.00863	3.3
99.04517	69.0
100.04857	1.8
101.02451	37.8
101.04291	3.4
108.53255	1.3
113.02457	10.7
117.53799	1.3
119.03430	3.1
125.02441	32.1
141.85797	1.3
143.03511	5.4
157.82495	1.3
159.02997	3.4
161.04567	14.1
168.89955	1.4
233.10272	2.3
234.10748	1.5
251.11343	37.8
252.11667	3.0
293.12369	9.9
335.17123	5.2
367.98798	1.4
385.12741	1.6
392.00476	1.7
395.10629	1.7
395.15280	7.6
402.80627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.6
59.01379	87.6
59.01675	4.9
60.01714	13.3
61.98834	100.0
71.01385	54.2
72.01716	11.6
72.99289	3.7
73.02950	16.9
74.03333	3.3
83.01403	3.9
85.02948	13.4
86.03293	3.7
87.00871	4.1
89.02449	75.6
90.02798	13.7
91.02864	2.7
95.01467	3.0
99.00883	13.4
101.02445	40.2
102.02779	8.9
113.02461	16.7
114.02813	4.5
115.89994	2.5
119.03494	13.4
120.03851	3.3
125.02436	4.9
125.43595	2.7
131.03505	12.7
132.03848	4.3
134.64102	2.4
149.04561	26.9
150.04868	11.7
161.04591	6.5
179.05589	5.4
180.06082	3.5
191.05650	6.1
219.58484	3.3
230.63113	2.9
261.13470	6.6
262.13776	11.4
263.14984	6.4
394.18237	13.2
395.17371	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	394.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45824	2.2
59.01382	35.0
60.01701	3.7
61.01833	2.7
61.98832	100.0
69.29417	24.8
71.01382	20.5
73.02956	7.6
83.01416	3.5
85.02952	11.3
89.02489	5.7
93.98556	2.6
99.00840	2.9
100.68822	2.4
101.02428	20.2
113.02472	10.1
128.72797	2.5
161.04565	8.6
263.14957	38.6
314.96307	2.6
395.18979	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	392.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17186	1.5
55.72726	1.3
59.01387	9.8
61.98833	100.0
68.47684	1.5
69.64571	9.5
71.01366	4.2
73.52900	1.4
77.78277	1.3
89.02460	3.8
95.83871	1.6
98.19902	2.8
99.04550	1.9
101.02457	2.3
197.63748	1.5
265.28656	1.7
303.06195	3.4
392.09589	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	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49048	3.0
59.01389	13.2
61.98831	100.0
67.30173	2.7
71.01373	4.1
96.96021	4.2
98.20625	6.0
104.17514	3.1
111.94316	2.3
121.02899	3.4
136.05165	2.7
165.01868	2.7
229.46924	3.2
393.22980	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	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35275	1.5
59.01369	4.4
61.98830	100.0
70.64865	3.6
100.13879	1.3
130.15479	1.2
135.11151	1.3
140.04567	1.4
211.13380	1.2
393.19312	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	393.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.6
61.98836	100.0
63.69783	0.4
65.06060	0.5
66.24731	0.5
68.99587	1.5
70.01664	1.0
70.02049	1.1
71.01386	1.9
78.95911	1.8
86.02462	0.5
87.00890	1.9
89.02459	1.2
96.96978	1.5
101.02471	2.3
111.00951	0.7
112.04077	0.7
112.98587	1.7
113.02455	0.8
130.08734	1.2
132.04555	0.7
133.05101	1.5
136.04045	0.8
187.08835	1.9
189.67642	0.5
217.06097	0.6
303.06229	0.7
330.11923	0.6
393.09424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03449	2.2
58.00600	4.8
59.01381	100.0
60.01720	1.4
61.17001	0.5
61.98833	0.6
67.43198	0.5
69.03460	1.7
69.12196	0.5
71.01384	54.8
71.18330	1.1
72.01739	1.5
72.99309	6.4
73.02950	28.6
73.31356	0.5
74.03259	0.5
75.00884	1.9
81.03474	1.2
83.01396	6.2
83.05047	0.6
85.02954	15.8
86.00106	0.7
87.00875	11.2
87.04517	3.4
89.02448	56.4
90.02776	0.8
95.01400	2.2
97.02957	1.5
99.00900	1.6
99.04546	0.7
101.02447	57.2
102.02802	1.0
103.00363	1.2
103.04015	21.2
113.02456	14.5
114.02806	0.5
115.04021	5.8
117.42788	0.5
119.03503	24.9
120.03828	0.6
121.27919	0.5
125.02438	3.6
125.57211	0.5
127.04026	2.0
131.03510	11.1
143.03511	14.8
144.03909	0.6
145.05058	6.7
146.05396	0.6
149.04591	1.2
158.06091	0.7
158.31747	0.6
161.04562	3.8
163.06125	38.8
164.06471	1.6
179.05624	7.5
205.07175	26.8
206.07626	1.5
247.11862	3.8
265.09372	1.6
303.06308	2.0
333.15833	0.9
345.13919	0.6
379.65155	0.5
393.17435	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
55.26565	0.4
57.03453	1.9
58.00594	4.4
59.01380	100.0
60.01717	1.5
61.98836	0.8
62.77787	0.4
67.51496	0.3
69.03464	1.6
71.01383	60.2
71.05012	0.4
71.61980	0.4
71.62400	0.6
72.00916	0.4
72.01727	1.5
72.99310	6.3
73.02946	26.8
74.03298	0.8
74.99118	0.4
75.00866	1.2
81.03448	0.9
82.63268	0.4
83.01382	6.2
85.02953	20.2
86.00114	1.3
86.03317	0.5
87.00876	10.9
87.04505	3.3
89.02445	52.8
90.02777	1.2
95.01404	3.1
97.02947	2.2
99.00893	1.8
99.04555	0.8
101.02444	61.9
102.02798	1.7
103.00355	0.4
103.04011	21.0
109.02962	0.4
111.00967	0.4
113.02454	16.5
115.04018	6.0
119.03502	21.7
120.03793	0.5
124.66422	0.4
125.02454	3.5
127.04053	2.1
131.03506	10.9
142.31335	0.4
143.03503	14.9
145.05064	7.0
149.04562	1.0
158.06096	1.1
159.02951	0.6
161.04573	6.4
163.06120	45.6
164.06476	1.6
179.05608	7.6
186.06895	0.8
205.07159	27.8
206.07504	1.7
213.11211	0.6
231.04059	0.5
232.09763	0.5
247.11859	7.8
261.13293	1.8
265.09247	1.1
277.90540	0.4
289.07062	0.5
303.06232	3.3
315.06476	0.5
333.15668	0.6
393.12708	0.6
393.17706	7.3
394.18317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99194	0.4
57.03455	0.9
59.01387	5.8
59.22414	0.3
61.98834	0.7
69.50517	1.8
69.50945	1.1
71.01389	8.5
73.02965	0.6
83.05057	0.4
85.02959	0.6
87.00895	0.7
89.02454	1.8
98.20631	0.6
101.02448	1.3
101.24943	0.4
112.59179	0.3
113.02425	0.4
137.09726	0.6
139.11237	0.5
159.77196	0.3
161.04582	0.5
185.11836	2.5
208.75177	0.4
269.21198	0.4
271.22653	2.0
299.22293	1.4
299.31097	0.4
311.22324	1.0
313.23849	5.0
314.24426	1.0
325.24014	3.1
327.21707	1.6
329.23370	13.9
330.23782	2.0
337.23837	0.4
341.23413	2.8
342.23770	0.7
343.24976	0.7
355.24918	1.4
373.26105	4.2
374.26352	0.8
391.27048	100.0
392.27371	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	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07637	0.3
59.01384	5.0
61.98832	100.0
63.93938	0.3
70.20710	0.6
70.21114	1.1
71.01386	0.6
79.56953	0.3
80.35946	0.3
89.02477	0.5
117.70882	0.3
123.04542	1.4
127.07680	1.0
141.71698	0.4
167.03491	5.0
171.06725	0.7
273.09735	0.4
303.06381	1.0
325.68661	0.3
329.08923	0.9
333.54190	0.3
341.68802	0.3
393.17502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41487	0.4
55.01868	1.0
57.03470	0.6
59.01382	11.6
60.01719	1.0
61.98835	100.0
66.91943	0.5
67.15662	0.5
69.66879	0.9
69.67284	1.8
71.01384	10.9
71.01760	0.8
72.01728	1.0
73.02953	3.5
73.63576	0.5
73.64036	0.4
81.03502	0.7
83.01417	1.6
85.02965	4.2
87.00917	0.5
89.02431	3.7
95.01408	0.6
99.00889	1.8
101.02454	8.5
101.03077	0.7
102.02792	1.7
113.02461	4.5
114.02781	0.9
119.03538	1.3
123.04533	9.4
125.02470	0.9
159.03003	1.0
161.04532	4.3
162.04929	1.3
167.03508	34.2
168.03862	2.0
175.00409	0.5
181.05034	0.8
191.03500	8.5
191.21361	0.5
192.03979	0.5
209.04575	3.5
217.83936	0.6
221.04559	0.8
321.60031	0.5
329.08777	12.2
330.09262	1.7
353.68677	0.5
391.23715	1.6
392.23837	1.5
393.17783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	1.4
61.98834	3.7
62.93140	0.4
69.98264	0.4
69.98576	2.2
71.01385	4.1
73.02945	0.6
85.02970	1.2
89.02445	4.2
101.02461	3.0
102.68164	0.5
113.02460	1.6
119.03519	1.5
143.03520	0.6
149.04620	0.4
161.04590	1.7
167.03525	1.5
172.68536	0.4
179.05688	1.1
191.03479	0.5
191.79550	0.4
249.02893	0.4
331.17709	1.2
391.19415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40802	0.8
59.01377	9.8
61.98839	0.9
63.93081	0.6
69.62166	4.4
69.89763	0.8
78.95919	4.6
84.60297	0.7
106.46603	0.7
118.22350	0.7
137.84502	0.6
144.86102	0.7
152.99591	18.7
158.47731	0.8
255.23305	100.0
256.23648	11.5
390.17255	0.9
391.22504	7.0
392.23178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85420	0.4
51.11250	0.4
55.01884	4.2
57.03448	4.2
58.00598	4.0
59.01383	100.0
60.01716	1.2
61.98835	2.5
69.03463	0.5
69.51865	3.1
71.01386	87.0
71.05026	0.8
72.01727	2.3
72.99313	5.3
73.02952	17.5
74.99087	0.5
75.00890	0.9
83.01392	8.3
84.02184	0.5
85.02956	31.0
86.03294	0.8
87.00894	3.6
89.02449	64.7
90.02789	1.2
95.01388	6.3
97.02962	2.1
98.60189	0.4
99.00879	7.4
99.04539	0.5
101.02448	60.6
102.02798	1.7
103.02848	0.5
111.00932	0.7
113.02457	38.8
114.02786	1.6
119.03509	30.5
120.03838	0.7
125.02442	2.2
129.02014	1.1
131.03514	3.3
135.98369	1.2
143.03514	5.5
149.04573	2.1
155.10759	2.0
159.02983	5.6
161.04565	38.6
162.04893	2.0
165.99010	0.4
167.03497	0.4
179.05626	6.9
205.03516	1.0
229.18076	9.6
230.18591	0.7
280.43445	0.5
305.70193	0.5
331.17551	0.5
391.23438	25.9
392.23779	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	391.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14408	0.4
51.43424	0.5
55.01884	6.7
57.03452	4.0
57.54084	0.5
57.58207	0.5
58.00599	3.6
59.01384	100.0
60.01722	1.4
69.03452	0.9
69.62591	3.2
71.01386	87.6
72.01723	1.4
72.99312	4.5
73.02950	19.5
75.00871	0.9
75.23805	0.5
83.01389	11.9
85.02956	35.1
85.98544	0.4
86.00090	0.7
86.03293	1.0
87.00884	4.3
87.01371	0.7
89.02450	46.5
90.02790	1.1
95.01389	5.7
97.02956	1.6
98.19892	1.0
99.00884	9.1
101.02449	74.6
102.02796	1.1
103.04054	0.4
103.27396	0.4
109.97987	0.5
111.00866	3.0
113.02454	34.7
114.02780	1.1
116.26492	0.4
119.03510	22.5
120.03848	0.5
125.02469	1.9
129.01953	1.3
131.03503	1.4
143.03513	5.5
145.13542	0.5
147.11853	0.7
149.04556	1.3
159.02979	6.7
161.04568	34.9
162.04965	1.4
178.06969	0.5
179.05634	3.8
205.03477	0.5
208.48512	0.5
229.18053	6.1
230.18452	0.9
300.35617	0.5
331.17621	2.0
391.23401	51.8
392.23734	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	391.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81910	0.7
55.01878	11.5
57.03453	8.0
58.00592	1.5
59.01381	75.1
60.01702	1.0
68.91785	0.7
68.99819	0.6
69.03444	0.9
69.59246	2.6
69.59671	1.1
71.01383	97.2
72.01716	2.0
72.99309	3.0
73.02948	37.2
74.03283	1.1
75.00874	2.1
81.03439	0.7
83.01391	19.2
84.02174	0.7
85.02950	52.3
86.00110	1.2
86.03279	1.7
87.00865	4.8
89.02441	12.3
90.02739	0.7
95.01382	7.3
97.02966	3.3
99.00884	17.6
101.02444	100.0
102.02779	2.7
104.31245	0.6
111.00903	3.2
113.02448	43.8
114.02776	2.5
119.03509	3.0
125.02414	3.3
129.01941	3.5
131.03505	0.9
143.03500	6.6
159.02989	13.4
161.04555	66.2
162.04874	2.9
177.51913	0.6
179.05551	0.9
179.98573	0.7
181.16058	0.7
181.83740	0.7
193.15993	0.8
205.03554	1.4
227.16431	0.6
229.18114	11.0
230.18457	1.5
331.17874	0.6
391.23358	63.3
392.23764	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	391.1915
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
59.01380	7.4
61.98820	0.9
62.21539	0.5
62.37185	0.5
66.64650	0.4
70.42368	0.6
71.01385	0.6
76.32952	0.4
89.81744	0.4
96.12853	0.6
98.20704	1.2
118.87954	0.5
119.05029	100.0
120.05388	6.6
121.02958	0.7
125.04412	0.5
130.04254	2.3
131.04547	0.6
138.03375	0.6
143.05000	1.8
144.05775	0.6
145.02965	0.9
145.06573	3.4
150.03191	0.6
157.06581	1.8
159.04474	1.4
159.08138	2.2
161.02473	0.7
171.08157	0.9
173.06061	0.6
187.03961	1.6
190.06413	0.8
201.05527	1.4
202.06136	0.7
227.14357	3.1
263.82144	0.5
267.06561	1.2
267.73465	0.5
271.13364	10.9
272.13809	1.1
289.14438	18.8
290.14841	2.1
308.95779	0.5
391.19141	59.2
392.19470	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18989	2.2
59.01386	2.5
61.98834	100.0
63.13766	2.2
71.13173	5.6
101.20056	2.0
124.97778	2.2
217.51927	2.2
267.88406	2.5
327.51080	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
63.26076	2.9
70.29265	12.7
100.81377	2.8
134.48044	3.4
136.56041	2.7
172.55821	3.2
183.15862	3.0
235.51846	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	391.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33471	1.7
59.01382	29.3
69.65021	8.8
69.65430	3.3
71.01376	8.7
72.99283	2.1
85.02946	3.7
89.02432	5.6
98.20631	3.6
101.02432	4.8
110.00081	4.5
113.02428	5.1
117.28304	2.0
125.02431	5.0
137.02460	2.2
137.99585	6.2
139.00372	5.6
146.45418	1.8
153.01945	100.0
154.02744	9.9
155.03432	2.0
159.55006	1.7
161.04565	8.4
164.87048	1.8
167.03479	10.8
168.04295	56.7
169.05077	21.0
174.24301	2.0
331.10379	32.4
332.10608	4.0
398.94165	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	391.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03432	2.9
59.01384	86.0
60.01716	1.5
61.98826	9.2
71.01386	28.3
71.63230	1.7
72.01723	1.2
73.02955	7.3
76.46875	1.1
83.01391	4.1
85.02954	10.4
87.00912	1.8
89.02454	13.2
93.03460	2.3
95.01396	2.5
99.00900	3.0
101.02454	22.1
108.02172	2.3
109.02958	11.3
113.02458	15.9
119.03491	4.5
121.02949	8.3
122.03713	4.0
123.04480	3.0
124.01669	2.1
125.02487	7.7
135.04553	3.0
137.02457	25.4
138.03265	6.8
139.04031	5.9
146.03682	1.1
147.04523	5.5
149.06079	3.4
151.04015	7.4
152.04695	1.6
159.03015	1.4
160.05244	1.4
161.04587	20.9
161.05945	2.4
162.03201	1.6
163.03999	3.2
165.05577	12.5
166.02707	1.5
175.03957	1.4
177.05600	6.1
179.03558	2.0
179.05632	1.8
179.07146	5.1
180.04248	5.5
180.07994	1.9
181.05106	12.1
184.03780	1.8
185.06001	2.0
189.05632	1.4
194.05885	7.6
195.06639	20.8
207.06613	4.2
208.07393	2.9
209.08188	4.4
227.07135	3.8
228.07562	1.6
229.05026	6.5
229.07721	5.6
229.18042	1.4
237.07777	1.4
273.23517	1.4
284.10431	1.5
313.10794	1.5
328.13629	1.2
331.11951	9.3
331.17609	18.8
332.17944	2.4
345.13394	3.3
361.12915	13.9
361.25943	3.0
362.13071	1.8
373.26108	1.8
376.15280	26.7
377.15585	3.7
391.17664	100.0
391.22998	4.3
391.27313	15.3
392.18100	18.0
392.23212	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63293	6.2
59.01379	100.0
67.07382	6.6
69.37522	9.6
69.37929	41.1
72.75143	6.8
85.79633	8.8
90.07120	6.3
98.19816	12.8
111.34375	6.6
126.82336	6.4
163.08813	5.8
170.73834	7.3
190.73868	6.6
190.97121	6.4
195.68700	6.3
359.27039	6.5
365.98395	6.4
375.64822	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79152	2.6
58.97261	2.7
59.01389	33.6
61.98835	100.0
69.53237	11.3
69.53661	8.4
69.95607	3.3
71.01385	7.2
73.02914	3.4
98.17619	3.1
98.19890	4.7
101.02437	6.3
101.16096	3.2
101.39980	2.8
108.30099	3.2
113.02431	5.6
116.92883	17.2
135.09212	3.0
159.89355	7.9
160.89287	3.3
238.55621	2.9
288.56180	3.5
362.66678	3.9
391.21384	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2548
Annotation	bhos#24
Peak:m/z	Relative Intensity
50.78407	0.4
55.01861	0.5
57.03460	3.4
58.00607	1.0
58.63692	0.4
59.01389	7.0
60.20787	0.4
61.98843	2.5
64.91688	0.4
69.03465	0.9
70.34195	1.7
71.01389	4.9
71.05032	1.0
72.99318	0.7
73.02940	2.4
74.99091	0.5
75.00877	0.6
83.01385	1.0
83.05023	1.7
85.02959	3.5
85.06625	0.5
87.00890	0.6
87.04532	3.8
89.02431	2.6
96.95955	0.5
97.06613	1.0
98.19834	0.4
99.00869	0.6
101.02443	3.5
103.18227	0.4
109.02905	0.5
113.02459	2.4
119.03511	1.0
121.06599	0.5
123.08192	1.0
125.02454	0.7
125.09739	1.1
135.04533	3.3
136.99161	0.5
137.02470	1.0
137.09714	3.4
139.11264	2.2
141.12814	0.9
149.06102	1.2
152.80515	0.4
155.10780	0.6
157.12321	1.0
159.03006	0.5
161.04677	0.9
163.04027	0.6
165.01958	1.0
169.12305	1.0
171.10359	0.6
179.07187	2.8
180.04355	0.7
180.07939	5.9
181.08365	0.8
185.11850	9.1
186.12256	0.5
191.65190	0.4
193.18961	0.4
195.06458	0.6
195.10283	0.6
201.11314	1.6
202.11734	0.5
208.07498	1.2
212.07039	0.7
214.12076	0.7
215.12891	8.8
216.13219	0.7
223.09772	9.2
224.10213	1.0
225.14955	0.8
226.08498	1.0
227.12869	0.6
227.16447	1.3
234.01619	0.5
239.16556	0.5
243.16002	2.3
273.20667	0.8
287.18607	0.9
301.20206	8.1
302.20538	1.1
311.22375	1.0
326.52020	0.5
327.21811	1.8
329.23132	3.4
330.23785	0.6
341.23389	3.8
342.23813	0.5
343.24884	0.8
359.24472	0.7
361.16269	0.5
371.24277	2.4
389.25458	100.0
390.25797	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	389.2549
Annotation	bhos#24
Peak:m/z	Relative Intensity
55.25983	0.5
57.03445	1.8
59.01387	6.3
61.98825	1.7
71.01386	5.0
71.05014	0.8
73.02948	3.4
74.32053	0.5
83.01369	0.6
85.02946	1.1
85.06588	0.8
87.00892	0.4
87.04515	3.0
89.02459	2.3
97.06577	1.2
99.00909	0.5
100.76559	0.5
101.02467	2.7
101.06100	0.8
111.08157	1.3
113.02448	1.9
117.07798	0.5
117.30112	0.5
119.03486	1.0
123.04534	1.1
123.08156	0.7
125.02436	0.5
125.09735	1.8
128.05421	0.4
129.09213	0.6
137.02568	0.5
137.09723	1.3
139.11310	1.1
141.12878	0.5
151.04054	1.2
153.09206	1.3
155.10785	1.2
157.12283	0.8
159.06706	0.6
161.04604	1.5
165.12964	0.5
171.10271	4.6
172.91829	0.4
173.08212	0.6
173.11807	0.6
179.03482	4.0
179.06943	0.6
183.13928	1.0
185.11855	4.8
194.05882	2.6
195.69484	0.5
209.08168	2.0
214.12022	0.7
215.12886	1.3
226.37732	0.5
227.12909	2.2
227.16533	1.2
240.86151	0.5
243.15994	5.8
245.11549	0.6
255.16058	1.0
301.20142	0.6
311.22589	0.5
327.21689	1.4
329.23108	2.2
341.23389	0.9
353.23386	0.6
359.24344	1.3
371.24536	5.1
372.24744	0.8
382.64563	0.5
389.25473	100.0
390.25827	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	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.4
57.03454	6.0
58.00596	2.4
59.01381	57.0
60.01714	1.0
61.85755	0.4
65.63401	0.4
67.08219	0.5
68.99832	0.5
69.03455	1.2
69.31511	3.3
71.01384	100.0
71.04619	0.8
71.05021	13.2
71.85400	0.5
72.01723	1.5
72.99305	3.5
73.02949	23.9
75.00877	1.4
81.03465	0.6
82.38904	0.4
83.01389	9.7
84.02175	0.9
85.02954	37.6
86.03261	0.9
87.00877	3.0
89.02446	34.7
90.02793	1.2
93.77869	0.5
95.01388	6.6
95.05034	0.6
95.08651	0.6
97.02951	2.9
98.03739	3.8
99.00883	10.6
101.02445	58.5
102.02802	1.5
105.04838	0.4
109.06609	0.4
111.00872	1.2
111.08159	0.7
112.76206	0.5
113.02454	42.9
113.06081	0.4
114.02795	1.9
115.04000	0.6
119.03503	12.7
123.08189	1.9
124.05318	3.1
125.02470	2.9
127.07632	0.8
129.01953	1.2
131.03526	1.5
134.96283	0.4
137.09718	4.4
138.06894	2.1
139.00398	0.5
139.07657	12.8
140.08008	0.5
143.03508	4.6
149.04623	0.8
153.09207	8.0
154.09560	0.7
155.10782	49.8
156.11099	3.6
159.02995	9.0
159.76065	0.4
161.04559	44.2
162.04907	1.3
165.12794	0.7
179.05547	2.5
199.09761	0.9
205.03490	1.1
209.15457	2.1
227.16525	86.0
228.16859	8.7
234.38036	0.4
249.34669	0.4
256.58752	0.6
298.34830	0.5
344.19070	0.5
347.86633	0.4
389.17316	1.0
389.21829	9.8
390.22284	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73305	83.8
84.99376	70.8
125.09704	100.0
184.30321	86.0
279.75104	92.0
389.26797	98.5
406.63043	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	49.0
69.99310	100.0
71.01389	34.2
71.08182	20.3
98.20530	37.4
116.01939	21.1
132.42497	24.2
218.64160	24.0
253.22017	35.2
347.79211	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	389.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03455	3.1
58.00587	1.0
59.01383	6.1
61.98816	1.3
63.70076	0.4
69.03448	0.8
71.01382	5.1
71.05023	1.2
71.65069	0.5
72.94765	0.4
73.02936	1.6
74.99117	1.9
83.01390	0.7
83.05004	0.9
83.49070	0.3
85.02949	3.3
85.06591	0.6
87.04518	4.0
89.02458	3.7
95.05047	0.9
97.02930	0.5
97.06602	1.6
98.25941	0.4
99.00888	0.7
99.20258	0.4
100.71292	0.4
101.02439	3.5
109.02962	0.8
109.06587	0.5
111.08172	0.4
113.02444	1.7
113.73327	0.3
116.84823	0.5
117.28934	0.5
119.03498	1.0
121.02933	0.5
123.08232	1.0
125.02449	1.1
125.09718	0.7
135.08127	0.6
136.99132	1.8
137.09705	3.4
139.11316	2.6
140.11661	0.4
141.12877	1.6
151.00369	1.4
151.04021	0.4
153.09213	0.5
157.12364	1.6
161.04579	1.6
166.02715	2.3
169.12369	1.2
171.10275	1.2
176.04811	0.4
181.05049	2.4
182.05397	0.5
185.11842	9.6
186.12178	0.7
191.07039	0.8
197.07181	0.4
201.11354	1.2
213.11263	0.5
214.12061	1.0
215.12901	7.3
216.13396	0.6
227.03476	0.8
227.12802	0.5
227.16556	1.4
239.14684	0.5
243.16068	2.7
251.07141	0.6
273.20679	0.8
279.06509	0.5
283.18970	0.7
291.07562	0.6
301.20206	9.7
302.20590	1.1
305.04675	0.4
311.22113	0.9
327.21817	2.4
329.23318	4.2
341.23273	5.1
342.23544	0.8
343.06168	0.7
361.07190	1.4
371.24438	2.1
389.06671	9.1
389.25436	100.0
390.07037	1.7
390.25797	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	389.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
57.03453	2.7
58.00603	5.5
59.01386	100.0
60.01720	1.3
60.40495	0.6
69.03448	0.6
71.01389	70.9
71.05060	0.7
72.01741	1.5
72.99323	4.7
73.02953	6.0
81.03468	0.6
83.01385	3.0
85.02962	16.1
85.69568	0.6
87.00887	3.9
89.02453	78.4
90.02787	1.7
95.01403	5.1
96.01563	0.5
98.19821	1.4
99.00899	2.1
101.02454	45.1
113.02466	28.6
114.02846	0.6
119.03517	31.8
120.03896	1.0
123.08173	7.3
125.02448	0.8
131.03513	3.0
143.03491	3.6
149.04561	3.2
149.05652	0.7
159.02997	1.4
161.04578	16.6
179.05640	7.3
185.11813	0.6
227.16537	19.6
228.16815	2.9
371.23889	0.8
372.24896	0.6
389.21628	45.6
389.25607	4.9
390.21936	7.7
390.25674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56766	0.4
51.37648	0.4
55.01888	4.2
57.03171	0.6
57.03453	6.7
58.00595	2.2
59.01386	42.9
60.01741	0.4
61.98837	1.0
63.08505	0.4
68.99825	0.4
69.03462	1.1
71.01389	100.0
71.05014	1.0
72.01735	2.3
72.99317	3.1
73.02954	26.0
74.99105	1.1
75.00874	1.6
77.45014	0.4
81.03474	1.0
83.01394	11.6
83.05051	0.6
84.02167	0.8
85.02959	39.9
86.03317	0.9
87.00885	4.1
89.02452	27.8
90.02762	0.8
92.42626	0.4
95.01390	7.0
97.02951	2.2
99.00890	11.1
99.01516	0.8
99.04528	0.9
101.02454	56.7
102.02801	2.0
111.08151	1.0
113.02457	40.0
114.02794	1.6
119.03516	9.1
120.03860	0.5
125.02473	3.1
125.09745	0.6
129.01967	1.8
131.03535	1.2
136.99120	1.1
137.09747	0.7
143.03516	6.4
143.05077	0.9
149.04524	0.5
153.09216	1.3
155.10808	1.6
159.03011	9.3
159.08138	0.5
161.04570	66.9
162.04869	2.0
165.12842	5.4
179.05699	2.9
185.06065	1.2
205.03543	1.8
209.15430	4.1
210.15880	0.5
224.91527	0.4
227.04904	0.6
227.07140	10.5
227.16536	3.5
228.07478	0.9
235.80350	0.5
258.10529	0.4
322.79166	0.5
389.16602	0.9
389.21451	11.7
389.26587	3.4
390.22147	1.7
390.26465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
57.03446	3.5
58.00602	4.8
59.01381	100.0
60.01718	1.3
61.98823	0.8
69.03451	0.8
69.37390	2.0
69.37810	2.7
70.54498	0.5
71.01383	88.4
72.01713	1.5
72.99310	6.2
73.02947	10.5
73.22450	0.5
75.00874	1.0
83.01390	5.5
85.02952	22.7
85.92200	0.5
86.03287	0.8
87.00886	5.1
87.04543	0.6
89.02448	83.3
90.02773	1.9
95.01389	4.9
97.02953	0.8
98.20621	1.1
99.00883	3.5
101.02446	47.1
102.02810	1.3
111.08134	2.0
113.02454	35.4
114.02789	0.7
119.03503	33.3
119.08185	0.5
120.03831	1.0
125.02418	1.3
125.09708	1.2
128.61826	0.5
131.03488	3.6
139.11284	0.7
143.03519	7.2
149.04529	3.1
153.09218	13.2
155.10767	1.3
159.02988	3.2
161.04558	21.5
162.04851	0.9
179.04120	0.6
179.05603	12.1
197.15479	6.0
198.15710	0.5
198.95172	0.5
209.15466	8.5
210.15799	1.4
227.03551	1.2
227.07249	2.8
227.16624	2.7
299.18460	0.7
321.34424	0.5
378.73560	0.6
389.16971	0.8
389.21451	6.8
389.25336	9.4
390.21719	1.4
390.25790	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	389.2184
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.87727	0.9
52.11295	1.3
55.01878	3.9
56.45055	1.1
57.03462	5.4
58.00584	3.2
59.01383	100.0
60.01696	1.5
61.98846	1.2
71.01389	69.7
72.01719	1.9
72.99318	5.5
73.01822	1.1
73.02955	13.5
82.85096	1.0
83.01404	6.3
85.02955	23.3
87.00887	4.0
89.02449	58.2
95.01382	5.6
98.31810	1.1
99.00889	4.5
101.02451	48.7
102.02786	1.3
113.02461	31.4
114.02767	2.1
119.03513	26.6
120.03937	1.4
123.08133	1.5
125.02419	1.3
131.03503	3.0
143.03502	4.8
147.11777	3.0
149.04527	2.7
154.09558	1.8
159.02983	3.8
161.04572	20.5
179.05595	6.3
209.15524	1.4
225.14969	2.5
226.15247	2.5
227.16418	8.8
261.02005	1.1
331.81406	1.2
389.12930	1.2
389.17654	2.9
389.21921	24.4
390.22198	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.4
57.03448	5.3
58.00594	4.2
59.01379	100.0
60.01716	1.3
67.01860	0.4
68.99818	0.5
69.03456	1.1
71.01382	95.9
71.62272	0.7
72.01738	2.1
72.99310	4.9
73.02946	20.3
74.03261	0.3
75.00859	1.5
78.19728	0.4
83.01387	12.1
84.02155	0.5
85.02950	34.7
86.03284	1.3
87.00872	5.5
89.02444	67.7
90.02785	1.6
95.01389	7.1
97.02956	1.4
99.00875	7.4
99.04493	0.4
101.02442	77.7
102.02783	1.3
106.44282	0.4
111.00882	1.6
113.02448	43.0
114.02792	1.7
114.79279	0.3
119.03500	30.8
120.03831	0.7
125.01642	0.4
125.02418	2.5
129.01936	1.5
131.03493	3.3
133.67998	0.4
143.03497	7.2
149.04533	2.0
159.02988	7.6
160.03337	0.4
161.04553	39.1
162.04831	1.7
165.12833	0.4
179.05602	7.7
205.03587	0.5
209.15468	1.3
227.07108	2.0
227.16518	8.3
228.16782	0.6
295.10788	0.7
313.12115	0.6
327.13513	0.4
336.71057	0.4
389.21777	32.0
390.22137	5.4
390.27005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1243
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
52.61832	0.2
57.03427	0.4
58.00566	0.4
59.01089	0.4
59.01375	5.4
61.98826	0.8
65.85888	0.2
69.35956	2.2
71.01384	6.1
72.99286	0.4
73.02955	1.2
82.96072	0.3
83.01398	0.6
83.32787	0.3
84.99799	0.2
85.02946	2.0
87.00880	0.4
89.02446	3.4
93.03448	0.4
95.01376	0.4
97.02951	0.3
98.20646	0.5
99.00871	0.4
101.02445	3.5
113.02459	2.2
114.76300	0.2
117.03465	0.6
119.03486	1.6
119.04964	0.5
120.99654	0.8
125.02468	0.3
141.07085	0.7
143.03783	0.3
143.05016	7.8
144.05336	0.5
145.02901	0.6
147.66710	0.2
157.06589	1.6
159.08162	2.3
161.04538	2.1
179.05609	0.4
179.74493	0.2
181.06599	1.0
182.07367	1.2
183.08131	3.1
184.08635	0.2
185.06064	12.5
185.11720	0.3
186.06406	1.0
190.06351	0.2
199.07585	0.2
205.34683	0.2
209.06010	0.3
212.37971	0.2
225.05582	0.6
227.07126	100.0
228.07462	9.8
230.08160	0.2
287.96957	0.3
288.00507	0.2
389.12140	0.4
389.16730	0.5
389.21600	1.3
389.25980	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	389.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23215	1.6
59.01391	11.0
61.98841	9.0
70.74884	4.0
71.01372	3.3
73.02964	3.2
74.40076	1.5
89.02454	16.2
103.04025	2.1
122.55421	1.5
125.34373	1.5
131.03496	7.4
149.04556	100.0
150.04918	3.2
151.29399	1.6
226.01682	1.7
266.67227	2.2
340.79025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1453
Annotation	Reptoside
Peak:m/z	Relative Intensity
53.03935	1.8
55.01875	4.8
58.00598	2.5
59.01379	77.0
60.01710	2.3
61.98828	1.9
69.61751	15.0
71.01381	63.2
73.02945	14.7
75.00874	41.3
83.01388	6.8
85.02956	27.2
87.00874	6.9
89.02448	37.2
95.01339	3.9
97.02913	2.1
99.00887	4.9
101.02448	46.1
109.02960	3.4
113.02461	21.0
119.03500	14.8
131.03502	5.9
137.02448	52.8
138.03180	4.7
142.03799	1.9
143.03505	3.5
149.06046	4.2
152.04784	24.9
153.05525	4.9
159.02972	2.3
161.04526	8.0
167.07146	4.7
179.03470	7.1
179.05571	3.4
183.47787	2.1
184.03769	7.4
194.05797	5.5
197.04581	4.3
206.81691	1.9
209.08131	9.9
212.06921	42.3
227.09244	100.0
228.09567	10.1
237.06145	36.7
238.06422	2.2
329.12314	3.0
384.64963	2.4
389.14502	84.0
390.14810	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01702	1.3
67.36064	0.6
69.59253	1.6
69.59663	4.4
71.01389	6.0
73.02946	2.2
73.69832	0.8
83.54132	0.7
85.02962	1.5
89.02461	0.8
98.19911	1.3
101.02454	3.0
113.02551	1.6
119.03584	1.0
122.03737	1.8
139.01888	0.7
152.04796	18.4
161.04514	5.3
167.07118	25.4
168.07448	1.8
181.05853	0.7
194.02208	1.1
209.04533	1.3
227.09358	0.9
236.60501	0.8
237.06111	0.7
246.78665	0.8
301.58289	0.9
314.68729	0.8
353.79813	0.8
389.15060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	7.2
61.98840	9.9
71.01372	4.3
71.63425	1.3
79.95737	7.6
80.96550	2.3
85.02921	2.0
89.02460	1.7
93.03455	1.6
96.96017	23.6
97.02946	2.1
98.95644	1.5
99.00834	1.9
101.02442	3.0
103.13671	1.1
113.02488	1.9
121.02944	1.7
122.03759	1.9
149.02446	8.6
150.03252	8.0
152.01152	1.1
155.10814	1.2
161.02382	1.4
161.04596	1.6
164.04831	8.8
165.05589	9.6
172.05270	3.1
175.03964	1.3
179.03479	3.4
179.07205	2.2
193.05017	1.3
194.05838	2.8
195.06630	2.6
199.04015	12.3
200.04785	13.1
209.08112	1.3
210.03139	2.3
211.03966	6.7
212.04715	1.5
217.17468	1.3
225.05544	1.7
227.03502	9.1
228.04292	21.1
229.04665	2.3
239.03494	2.9
243.06621	10.4
251.30255	1.4
255.02710	1.4
256.03778	23.3
257.03946	1.8
271.06128	100.0
272.06512	12.5
286.08456	52.1
287.08914	6.1
289.18198	1.3
291.00912	1.3
301.10822	68.1
302.11133	10.4
326.11411	1.7
340.14224	1.2
341.13831	3.9
351.21558	1.5
353.23376	2.9
389.16006	12.0
389.20456	4.0
389.29446	1.3
390.16095	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09180	0.4
53.23392	0.5
54.95850	0.5
55.01881	5.9
57.03450	4.8
58.00602	2.2
59.01381	53.0
60.01711	0.9
64.90991	0.4
67.01862	0.5
69.03464	1.6
69.60086	3.2
71.01386	100.0
71.05025	12.8
72.01736	2.6
72.05388	0.5
72.99307	3.1
73.02950	25.5
74.03285	0.9
75.00874	1.5
79.10230	0.5
81.03468	1.1
83.01393	10.7
83.05052	1.0
84.02172	0.7
85.02956	40.9
86.03307	1.0
87.00877	3.5
89.02450	26.9
91.16776	0.5
94.00340	0.5
95.01392	7.4
97.02951	2.7
98.03751	3.6
99.00890	11.5
101.02449	62.4
102.02775	1.6
109.06608	0.7
111.00866	1.1
112.05341	0.5
113.02453	42.8
113.06069	0.5
114.02778	1.5
119.03503	8.0
123.08144	1.3
124.05275	2.8
125.02436	2.1
127.07675	0.8
129.01939	2.1
131.03513	0.9
137.09714	3.7
138.06873	1.8
139.00363	0.8
139.07660	13.7
143.03511	5.5
149.04567	0.8
153.09210	8.3
154.01456	0.5
154.09494	0.9
155.10786	49.2
156.11119	2.9
159.03009	10.2
161.04564	48.1
162.04874	2.4
165.12868	1.0
176.19444	0.5
179.05617	1.7
199.09796	1.0
205.03526	1.1
209.15462	1.0
227.16530	86.9
228.16864	7.5
255.62701	0.5
315.08731	0.6
359.11365	1.8
389.21829	8.8
390.22137	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11710	8.6
59.01373	27.8
61.98820	16.7
65.23590	9.2
71.01387	46.5
71.63173	13.6
77.74761	8.3
84.66990	9.2
84.75882	9.7
101.02467	12.0
113.02443	17.3
118.99358	11.8
119.05177	9.3
121.03017	13.1
247.46799	12.4
255.23254	100.0
269.24817	31.4
297.24438	16.4
309.24426	27.7
336.35901	9.5
387.33902	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98822	17.0
67.81217	11.9
70.64650	41.7
77.14544	10.6
124.45714	11.3
124.61788	11.2
187.00865	13.9
189.09067	11.8
197.27342	14.8
250.77982	14.9
295.04266	11.5
319.09927	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	388.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
58.00610	0.7
59.01383	18.4
61.98833	100.0
62.98540	0.5
71.01389	9.2
71.61002	0.5
72.43408	0.4
72.99324	1.6
73.02965	1.8
74.99094	0.5
75.00880	0.9
78.95924	0.8
83.01394	0.8
84.05589	0.4
85.02943	2.8
87.00886	1.8
89.02443	7.0
94.95229	0.4
95.01366	1.2
96.96949	1.0
99.00886	0.6
101.02450	7.5
103.04031	0.5
109.02991	0.5
110.02480	0.5
113.02454	3.0
119.03499	2.6
120.99725	0.4
121.02995	0.6
125.02490	0.7
128.03482	0.5
131.03508	0.4
137.02492	2.8
138.03194	0.6
139.04031	0.7
149.02457	0.5
152.03690	0.5
152.04749	2.1
153.05621	0.5
161.02638	0.6
161.04579	1.2
165.05571	0.8
167.07146	2.9
177.01926	0.6
178.02414	0.7
179.03610	0.8
179.05603	0.7
183.06599	0.6
184.30394	0.4
193.04744	0.7
194.05855	0.9
209.04620	0.8
209.08170	2.2
212.06934	1.5
225.07809	1.0
226.08066	1.2
227.09273	4.9
237.06541	0.5
388.13104	1.3
389.10388	0.7
389.14865	3.2
402.45499	0.5
404.53378	0.5
410.70993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03460	2.5
59.01381	97.8
60.01727	2.3
61.98829	6.7
69.03460	8.6
71.01389	44.6
71.62670	2.0
71.63065	4.4
72.01804	1.7
72.99313	2.8
73.02947	11.7
74.99098	6.5
79.01897	5.5
81.30815	2.2
83.01362	4.5
83.03124	2.1
83.43137	2.1
85.02951	14.6
87.00868	2.8
89.02460	21.9
90.02814	2.3
95.01405	5.1
97.02951	4.3
99.00889	4.4
101.02448	31.0
107.01389	16.2
109.02953	4.1
113.02459	18.9
119.03505	7.1
120.99686	4.4
121.02968	3.8
123.00880	3.5
125.02472	12.4
125.03300	2.1
135.00853	12.6
136.99161	2.4
151.00356	14.4
152.95407	2.1
153.00786	4.1
153.01884	4.7
155.10794	1.9
161.04567	20.2
166.02713	100.0
167.03496	27.2
168.03017	4.8
179.05589	3.0
181.98619	2.3
187.92981	2.0
209.04625	5.4
227.16530	6.7
286.94244	2.3
309.19507	2.6
314.07910	2.2
328.09549	5.7
329.08701	60.9
330.09232	4.6
343.11850	7.0
359.11288	4.0
374.13580	9.3
389.07269	3.0
389.18109	34.7
389.22702	3.5
390.18378	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25689	0.6
55.01890	3.0
57.03448	4.2
58.00591	3.1
59.01381	70.9
60.01704	1.7
70.20918	0.5
71.01384	54.1
72.01731	1.0
72.99313	3.1
73.02945	8.3
75.00854	0.8
77.81537	0.6
83.01393	6.0
84.02171	0.7
85.02951	16.8
87.00881	2.2
89.02446	42.9
90.02800	1.0
95.01389	2.6
97.02959	1.3
99.00898	4.1
101.02441	36.8
102.02757	1.2
113.02452	20.4
119.03508	18.1
120.03883	1.0
131.03506	1.5
137.09750	3.2
143.03494	2.5
146.92336	0.7
149.04588	1.1
151.11290	1.3
152.08432	1.1
153.12825	1.0
156.26703	0.7
159.02995	1.9
161.04552	7.5
163.11250	1.2
169.93202	0.7
179.05611	2.8
181.12370	1.0
187.65187	0.6
195.13922	1.4
197.15436	2.6
207.13914	2.7
225.12701	1.3
225.14951	26.7
226.15279	2.1
316.88379	0.7
345.51419	0.7
387.20230	100.0
388.20587	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	387.2023
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.52272	0.2
55.01880	2.1
57.03448	8.9
58.00591	1.2
59.01381	26.4
64.39552	0.3
64.77378	0.3
69.03460	1.0
69.33089	2.5
69.34628	0.2
70.96619	0.3
71.01384	38.5
71.05020	3.0
72.01721	0.7
72.99294	1.3
73.02945	8.0
73.05356	0.2
75.00872	0.5
79.66718	0.2
81.03446	1.2
83.01392	3.8
83.05003	0.4
84.02179	0.3
84.16158	0.3
85.02953	14.1
86.03284	0.3
87.00904	1.3
89.02448	15.6
90.02773	0.3
95.01390	2.9
95.05006	1.3
97.02956	2.2
97.06629	0.3
99.00872	3.6
99.08144	0.3
101.02446	21.4
102.02782	0.4
109.06562	1.4
111.04522	0.8
113.02450	15.8
113.06053	0.5
114.02788	0.3
119.03503	5.8
121.06645	0.5
121.10214	0.5
122.03767	0.3
123.08178	2.0
125.02450	0.9
125.06132	0.5
125.09702	0.3
129.01932	0.6
131.03494	0.8
135.08154	0.8
136.05342	0.5
137.06087	0.5
137.09715	5.0
138.06868	16.0
138.10083	0.4
139.07207	0.9
143.03537	1.8
149.04568	0.5
149.09723	0.3
150.06825	0.3
151.07620	0.7
151.11279	1.9
152.08383	0.5
153.09212	41.6
153.12750	2.3
154.09546	2.3
157.32355	0.3
159.02991	3.7
161.04565	15.3
162.04887	0.7
163.11292	2.5
165.09174	0.3
165.12872	0.5
167.10869	0.3
179.05614	1.8
179.14384	0.8
181.12387	1.7
182.12619	0.4
189.12839	0.5
192.11588	0.3
195.13899	4.6
195.15543	0.5
196.14267	0.4
197.15460	4.5
198.15771	0.6
207.13907	6.6
208.14194	0.5
210.12477	0.3
215.66945	0.3
225.14955	100.0
226.15302	10.2
257.15002	0.3
286.75345	0.3
286.84610	0.3
387.20200	6.1
388.20630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05753	62.2
55.89045	56.1
57.02238	57.7
59.01373	68.6
83.43781	58.4
128.68613	67.2
172.28455	70.8
242.91380	65.5
297.87531	66.0
356.20575	73.7
387.25436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47212	0.2
55.01877	2.6
57.03447	6.3
58.00598	1.7
58.03785	0.3
58.75554	0.2
59.01379	32.3
60.01714	0.6
69.03453	0.5
69.49735	1.0
69.50142	0.4
71.01382	50.5
71.05022	3.2
72.01725	0.7
72.99307	1.6
73.02949	11.7
75.00884	0.8
81.03455	1.1
83.01389	4.2
83.05009	0.3
84.01750	0.2
84.02191	0.6
85.02952	18.8
86.03304	0.5
87.00867	1.8
87.04494	0.2
87.91206	0.2
89.02446	20.6
90.02788	0.3
93.03477	0.2
95.01386	3.9
95.05024	1.9
97.02946	3.3
98.03739	0.2
99.00881	4.9
99.04510	0.5
99.08162	0.7
101.02445	28.4
102.02782	0.6
108.72894	0.2
109.02965	0.2
109.06593	2.6
111.00851	0.5
111.04505	1.6
111.06361	0.1
111.08159	0.2
113.02447	20.6
113.06082	0.6
113.09718	0.5
114.02767	0.7
119.03503	6.5
120.99657	0.2
121.06571	0.3
122.03748	0.5
123.08159	1.4
125.02457	1.0
125.06097	0.6
129.01930	0.5
131.03508	1.1
135.08173	0.8
136.05293	0.7
136.44254	0.2
137.06075	1.0
137.09714	2.1
138.06866	29.8
139.07144	1.5
143.03522	2.2
149.04573	0.5
149.09702	0.8
150.06853	0.3
151.07639	0.9
152.08395	0.7
153.09210	70.1
154.09547	4.4
155.10788	0.7
159.02983	4.4
161.04556	19.2
162.04871	0.9
163.11314	0.7
165.12830	1.2
167.07220	0.3
177.17195	0.2
179.05618	1.7
183.29396	0.2
192.11505	0.5
205.03502	0.3
207.13898	5.5
208.14236	0.5
225.14952	100.0
226.15295	10.0
243.10103	0.2
260.67346	0.2
267.62943	0.2
315.25494	0.2
387.20282	3.1
388.20447	0.5
403.55475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
59.01376	3.1
61.57278	0.6
68.93360	0.6
69.51414	4.6
71.01379	2.9
73.02953	1.4
74.99091	1.6
81.03454	3.2
83.01392	3.5
85.02975	1.2
89.02447	0.8
93.03451	1.4
95.01382	1.1
95.05036	3.5
97.02957	8.6
98.20647	1.3
101.02437	2.0
103.68005	0.6
108.02188	1.1
109.02962	31.3
110.03299	1.0
110.53576	0.7
113.02438	0.7
121.02934	4.0
122.03722	1.5
123.04531	20.4
123.21830	0.6
125.02460	17.5
135.04478	2.0
135.08147	1.0
137.02451	11.0
137.09677	0.7
137.56581	0.6
138.03114	0.9
139.04002	5.1
145.02943	1.7
146.03716	1.8
147.04456	0.7
149.02441	7.5
150.03172	1.5
151.04008	11.9
151.07669	0.7
152.04352	0.8
153.09164	1.3
157.06630	0.7
159.04543	3.5
160.05219	1.2
161.02469	1.9
161.04713	1.2
161.06075	7.2
162.03284	3.5
163.04030	1.8
164.01109	3.7
165.01927	4.5
166.02521	0.9
167.03448	2.4
173.06006	1.0
174.03163	0.9
175.03993	2.9
175.07625	2.6
177.05615	1.5
179.03493	6.2
179.07158	2.4
181.12332	1.4
185.06125	1.4
187.04019	6.1
188.04791	5.2
191.07076	1.5
201.05600	0.7
202.06319	3.2
202.90221	0.6
203.03403	0.9
203.07150	17.8
204.07545	0.9
205.05067	11.7
206.05443	0.8
217.08650	1.1
219.06633	1.0
221.08247	3.4
225.11308	2.5
225.15016	2.0
227.07204	2.3
231.03004	1.9
233.08170	0.9
245.08194	21.6
246.08453	1.9
247.06042	2.0
271.06174	1.4
275.12778	1.0
289.07196	100.0
290.07541	10.2
299.12909	2.0
343.11865	14.7
343.15549	0.9
344.12241	1.7
369.12988	1.5
387.14523	46.2
387.23361	4.2
387.28073	1.1
388.14890	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	387.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03445	1.0
58.00581	1.4
58.27712	0.7
59.01382	46.9
61.98822	2.7
68.08824	1.0
70.40771	1.0
70.41116	2.4
71.01385	27.3
72.99306	2.8
73.02950	1.9
83.01403	1.2
85.02940	6.3
87.00904	0.8
89.02446	29.1
95.05029	1.5
99.00851	0.9
101.02445	18.7
113.02457	9.9
119.03506	12.0
120.99616	1.0
121.02978	1.5
131.03482	1.1
137.02501	1.0
149.02460	5.0
161.04559	1.0
163.07628	1.1
177.01929	38.2
178.02495	2.8
192.04277	52.9
193.04695	4.1
207.06618	100.0
208.06967	8.0
225.07607	1.6
292.82120	0.9
387.12811	10.2
388.12939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1454
Annotation	Renealtin B
Peak:m/z	Relative Intensity
57.03454	2.9
59.01369	2.2
64.96590	0.4
69.03452	0.8
69.61860	2.7
71.01379	1.9
73.02936	1.5
80.02687	0.6
80.86056	0.5
81.03477	3.1
83.01391	4.4
83.05028	0.7
85.02956	0.6
89.02451	1.2
91.99277	0.4
93.03456	2.1
95.01414	0.8
95.05046	3.8
97.02960	9.6
101.02443	1.9
107.05067	0.5
108.02186	0.9
109.02959	30.9
110.03281	1.2
113.02469	0.6
119.03477	0.8
121.02966	4.5
122.03765	1.3
123.04531	21.1
124.04816	1.3
125.02452	18.7
125.03383	0.5
126.02744	0.9
131.05017	0.5
135.04565	2.8
135.08185	0.7
137.02461	10.9
137.06091	0.7
137.09708	0.6
138.03334	0.8
139.04033	4.2
145.02940	1.5
146.03719	1.8
147.04486	0.6
149.02444	7.2
150.03197	1.6
151.04021	11.0
152.04419	1.0
153.09196	0.5
157.08717	1.1
159.04533	3.9
160.05255	1.6
161.02444	1.7
161.06100	8.5
162.03224	3.1
162.06430	0.7
163.04054	2.2
164.01163	4.4
165.01938	5.9
165.05655	0.6
166.02475	0.5
167.03490	2.0
173.06133	0.8
174.03084	0.5
174.06778	0.5
175.02658	0.5
175.04015	2.8
175.07607	3.0
176.01054	0.5
177.05533	1.3
179.03505	8.5
179.07121	1.9
180.07365	0.5
183.04489	0.4
185.06050	0.8
185.11754	0.5
186.06708	0.5
187.04022	7.1
188.04787	4.9
188.64748	0.4
189.05299	0.7
191.07190	1.3
193.08687	1.2
199.07571	1.0
201.05577	1.1
201.09135	0.5
202.06363	3.2
203.07143	18.9
204.07477	1.5
205.05048	12.9
206.05501	1.2
217.08611	0.6
218.05746	0.7
219.06689	1.1
221.08221	3.8
226.94107	0.5
227.07161	3.4
229.04977	0.7
230.05826	0.5
231.03001	1.6
233.08241	0.8
243.16026	0.7
245.08200	22.1
246.08545	2.0
247.06155	1.8
257.86285	0.5
271.06073	1.1
275.13040	0.8
289.07190	100.0
290.07523	9.5
299.12912	2.3
321.13596	1.3
321.63791	0.6
343.11880	15.2
343.15201	0.6
344.12180	1.8
369.13525	1.0
387.14517	45.2
387.23245	3.4
388.14874	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	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67233	0.6
53.08702	0.7
58.00610	1.6
59.01382	38.3
60.49284	0.6
71.01385	19.3
72.99295	1.5
75.74538	0.7
83.01400	1.4
85.02963	4.7
87.00902	1.1
89.02450	23.9
93.03471	1.5
95.01382	1.3
95.05034	2.1
98.19804	1.2
101.02441	14.8
113.02452	7.8
119.03507	9.6
121.02972	2.0
131.03432	0.8
136.36375	0.6
137.02449	1.1
139.00409	1.3
143.03514	1.1
149.02431	4.3
166.02768	0.8
177.01929	38.0
178.02425	2.8
192.04292	48.0
193.04608	3.8
194.31183	0.8
207.06625	100.0
208.03841	0.7
208.06956	7.7
209.04416	0.8
225.07620	1.0
345.01822	0.8
387.13083	4.6
395.65533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03447	0.7
58.00592	0.6
59.01382	19.7
68.34815	0.4
69.67138	3.5
71.01384	11.0
72.99309	0.6
73.02937	0.9
82.11057	0.5
83.01382	1.0
85.02946	3.1
87.00871	4.6
89.02448	9.6
93.03459	0.9
95.01390	0.8
95.05016	0.9
98.19877	0.9
99.00909	0.7
101.02451	6.5
111.00879	1.4
111.13187	0.5
113.02473	3.0
115.63889	0.5
119.03499	2.1
120.99662	0.7
121.02959	1.2
123.00887	3.6
124.01650	0.7
125.02478	0.7
127.00375	1.0
136.98848	0.7
137.02419	1.9
138.03239	6.7
139.00394	6.5
139.04019	3.9
143.03473	0.5
149.02467	2.9
151.00420	0.6
153.01941	0.5
153.05573	4.8
154.02686	4.5
164.04825	0.9
167.03374	0.5
174.35318	0.5
177.01924	25.7
178.02502	1.6
179.03481	3.8
180.04059	0.5
182.02234	1.7
183.02888	0.7
192.04286	21.3
193.04878	3.6
194.02185	10.2
194.05847	2.3
195.02953	3.5
195.06546	0.6
196.03748	1.0
207.06651	5.4
208.03682	0.9
209.04541	25.0
209.08102	1.6
209.29048	0.5
210.05287	8.6
211.05959	2.2
223.05972	1.0
225.07684	11.1
226.07964	1.2
239.05591	1.1
357.08060	1.2
372.10538	7.4
387.12958	100.0
388.13318	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	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
52.60649	1.5
53.10508	1.6
54.01866	1.4
55.01875	3.9
57.03428	2.9
58.00599	9.5
59.01381	86.6
59.38052	1.4
61.98849	1.9
69.69933	2.7
69.70335	5.2
71.01383	71.8
72.01714	2.0
72.99303	5.9
73.02957	13.0
73.13651	1.5
78.81943	1.5
83.01379	8.4
85.02950	23.2
87.00876	31.9
89.02449	66.3
90.50069	1.5
95.01368	7.0
98.20608	1.9
99.00872	4.3
101.02450	52.9
102.02757	2.0
107.62791	1.4
107.72646	1.4
109.02982	1.9
111.00864	3.1
113.02454	29.7
119.03506	35.9
119.31358	1.4
121.02951	2.4
129.01859	2.2
129.14085	1.6
131.03517	4.7
137.02448	10.4
138.03233	2.6
143.03458	3.9
149.02443	18.9
149.04553	2.8
151.03975	2.2
152.04774	5.9
153.05571	4.2
161.04547	5.8
165.01907	4.0
167.03464	3.8
171.02940	1.5
175.03912	1.9
177.01939	87.3
178.02538	8.0
179.03476	2.3
179.05637	6.1
180.04272	4.2
191.03427	4.5
192.04303	63.2
193.04861	7.0
195.02979	32.9
195.06693	4.8
196.03313	2.1
207.06604	21.5
209.04605	1.8
210.05353	44.3
211.05704	4.8
225.07683	100.0
226.08028	7.0
233.42737	1.7
297.09793	2.6
327.16931	1.4
339.36215	1.5
372.10590	2.0
387.12985	57.0
388.13196	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2377
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
55.01866	1.5
59.01366	3.2
70.90244	3.6
79.01889	3.5
82.72175	1.8
83.67738	1.5
85.06583	4.3
91.05564	1.6
97.02959	2.4
109.06580	6.4
111.04524	6.9
135.04506	4.2
138.38005	1.3
140.18922	1.4
151.04059	1.8
153.05563	21.2
179.03513	3.8
180.04254	2.4
211.93658	1.4
303.23279	33.0
304.23605	4.4
341.24854	8.8
342.25247	1.9
385.23779	100.0
386.24020	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	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21698	0.5
59.01389	0.8
61.28682	0.6
61.66006	0.5
70.20815	1.5
70.21207	1.3
79.00041	0.6
113.39898	0.6
114.04926	0.7
119.14172	0.6
125.36471	0.7
175.79071	0.6
207.13924	1.8
226.62100	0.7
341.24850	100.0
342.25208	15.4
385.23822	51.5
385.32721	1.4
386.24155	10.1
388.81790	0.6
409.16595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.6
61.98831	100.0
71.01390	2.1
73.32632	0.8
80.91692	0.8
84.57771	0.8
87.00874	1.3
89.02463	1.2
91.46320	0.8
98.19836	1.7
101.02457	1.2
115.06423	0.7
120.99650	1.1
137.02522	0.9
159.67940	0.8
161.02429	1.3
174.01648	1.2
175.02251	0.8
177.01950	0.9
195.02950	0.8
205.33633	0.8
207.06691	1.6
210.05362	1.2
215.03923	0.7
224.09235	1.1
225.07751	2.6
251.56035	0.8
260.61578	0.8
386.11884	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	386.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.4
61.23953	1.0
61.98833	100.0
67.85926	0.7
71.01396	7.9
71.62057	1.3
72.89028	0.7
72.99323	1.3
73.02955	1.3
74.99117	1.2
78.91913	0.9
80.91699	4.4
83.01427	0.8
85.02960	2.3
87.00893	2.1
89.02435	4.6
95.01347	1.0
101.02438	4.3
113.02486	2.0
114.64590	0.8
119.03495	1.6
119.05041	1.3
120.01307	1.0
120.99660	1.9
121.03018	0.8
123.04519	0.9
130.36293	0.8
137.02490	1.6
139.00385	0.9
153.02086	1.0
154.33629	0.8
163.04082	1.3
164.04716	1.0
166.02737	1.3
174.01694	3.2
175.02296	1.8
177.02031	1.7
180.10342	1.5
189.01897	0.7
192.04344	2.4
195.03006	1.3
207.06647	5.3
210.05299	1.4
224.09335	1.5
225.07776	2.9
229.05034	0.9
326.09662	1.1
336.71725	0.8
386.11337	8.8
387.12622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29738	1.0
59.01383	33.3
61.98841	3.2
69.44344	3.5
69.44748	6.2
71.01381	17.7
72.01713	1.3
73.02946	1.6
78.95911	10.6
83.01386	2.1
85.02925	3.7
87.00864	4.0
89.02449	13.8
93.03465	2.8
94.47992	1.3
95.01376	2.2
96.96014	2.1
96.96978	14.7
98.19909	2.8
101.02447	10.4
109.02980	1.3
110.45771	1.4
111.00883	1.1
113.02456	7.0
119.03539	5.9
120.99644	4.4
122.99277	1.4
123.00864	2.9
125.02427	2.7
137.02434	5.4
138.03203	6.3
139.00359	5.2
139.03967	4.2
149.02414	4.1
153.05531	4.6
154.02710	5.6
161.04520	2.5
162.82896	1.2
167.03555	1.4
172.28610	1.1
177.01936	23.6
179.03429	3.5
192.04283	19.4
193.04834	2.2
194.02206	8.9
194.05757	1.7
195.02946	3.3
195.23016	1.1
204.70682	1.3
205.74719	1.2
207.06573	3.9
207.10301	1.3
209.04562	22.3
209.08119	2.4
210.05225	4.8
211.06044	1.6
225.07726	10.7
226.08014	1.7
289.06952	2.2
327.83707	1.2
372.10645	7.3
387.12872	100.0
388.13220	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03214	0.5
57.03439	2.9
58.00601	4.4
59.01379	100.0
60.01711	0.8
60.41396	0.5
61.98827	2.3
67.40981	0.5
69.29470	5.8
71.01383	70.4
72.01718	1.7
72.99309	5.5
73.02950	4.9
73.27182	0.6
74.99085	2.4
76.98692	2.5
83.01402	2.8
83.79612	0.5
84.43902	0.5
85.02946	15.5
85.21546	0.6
87.00870	3.9
89.02444	89.4
90.02796	1.7
95.01376	4.4
95.05024	0.8
95.98022	0.6
97.02910	0.8
99.00879	1.8
101.02445	40.4
102.02840	0.8
107.05061	1.1
107.53613	0.6
109.02967	4.4
113.02450	27.2
114.02762	1.2
119.03502	36.2
120.03827	1.0
120.99654	40.9
121.02953	0.9
123.04507	3.0
123.08165	2.2
125.02436	1.3
125.09687	0.9
131.03525	3.6
133.02910	0.7
135.08104	1.0
136.99107	2.1
137.02403	1.3
138.98697	2.0
143.03503	5.2
147.04529	0.9
147.08191	1.4
149.02409	2.2
149.04579	2.9
150.03149	0.8
151.03976	2.1
153.09207	12.1
154.09561	0.8
161.02438	0.9
161.04556	6.9
161.05870	0.9
161.09746	0.8
161.49191	0.5
162.03154	0.7
163.11201	0.8
164.04752	1.5
165.09308	0.7
174.01680	3.1
175.02487	0.7
177.01932	6.1
177.12766	0.6
179.05618	12.1
179.07138	1.1
180.05942	0.9
187.11281	3.6
189.01924	6.2
190.02650	3.4
190.09909	1.0
205.05110	1.2
205.10542	1.0
205.12332	15.9
206.12604	1.7
216.00536	1.6
217.01276	2.4
219.02840	1.8
221.08023	0.7
223.06035	2.5
223.13268	2.1
231.02879	0.6
233.11705	0.6
253.05020	0.7
265.07123	1.6
281.04428	2.3
286.66129	0.7
295.08060	2.1
297.07663	1.3
325.09140	2.5
341.06647	13.8
342.06635	2.2
385.06433	0.6
385.10892	5.1
385.18253	4.4
386.11432	0.7
386.18549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03446	5.0
58.00595	3.2
59.01381	60.9
59.41212	0.5
60.01721	0.8
61.98824	1.2
69.03458	1.7
71.01384	79.2
72.01734	1.7
72.99308	4.3
73.02951	15.0
74.99104	1.6
75.00873	0.7
76.37914	0.6
76.98696	0.7
81.03474	0.9
83.01389	5.6
83.05043	1.2
84.02161	1.0
85.02953	22.7
86.03302	1.0
87.00867	3.2
89.02446	38.3
93.03461	0.6
95.01386	4.5
95.05033	2.7
97.02946	6.8
98.55718	0.5
99.00874	5.7
101.02445	37.9
102.02799	1.1
105.07091	1.5
107.05031	0.7
108.05815	3.2
109.02982	1.4
109.06615	2.1
111.04520	1.0
111.08170	0.9
113.02451	29.0
113.06072	3.4
114.02781	0.8
115.00394	0.8
119.03497	12.2
119.04955	0.9
120.01251	3.2
120.99658	23.8
121.06601	0.7
122.03757	2.0
123.04598	0.9
123.08190	4.0
125.02464	2.0
125.06083	2.3
129.01985	0.8
131.03528	1.3
135.08128	0.9
136.05312	4.1
136.99234	0.8
137.06087	2.4
138.06871	25.9
138.98743	0.9
139.07677	11.2
139.78473	0.6
140.07994	0.6
143.03532	3.0
147.08151	1.3
149.02466	1.9
149.04575	0.5
149.06097	1.7
151.07651	23.2
152.04865	3.0
152.07449	0.5
152.08430	50.7
153.09215	100.0
154.09555	6.8
159.03009	4.9
161.04572	19.2
161.06007	1.4
161.09705	1.8
162.04843	1.1
163.11279	3.7
164.04805	1.9
165.05521	0.6
165.09264	2.7
167.07144	2.1
174.01697	5.4
175.00351	0.8
175.02475	0.6
177.01906	0.7
179.05649	2.7
179.07117	0.9
179.10751	0.8
182.01810	0.5
187.04153	0.6
187.11317	1.9
189.09293	1.6
190.02684	2.4
190.10020	2.1
193.05031	0.7
205.03435	0.6
205.05104	2.5
205.12335	34.9
206.05791	1.0
206.12680	3.6
208.03841	0.6
223.06020	3.6
223.13385	18.8
224.13774	1.7
229.09935	0.6
229.12192	0.8
265.07059	2.7
295.08282	1.5
325.09259	3.1
341.06653	0.7
385.10989	7.3
385.18597	7.9
386.11826	0.8
386.19388	0.8
395.80011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1295
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
51.30430	1.3
57.03454	10.7
58.37545	1.4
59.01395	7.2
61.98826	2.1
69.03454	3.8
71.01369	4.2
71.62738	1.4
73.02931	2.6
76.98694	3.1
81.03459	7.4
83.01389	13.3
83.58058	1.2
89.02435	2.0
93.03470	3.3
95.01376	2.1
95.05036	5.8
97.02954	7.8
97.06590	1.4
99.04543	1.5
101.02425	2.0
107.05028	2.3
108.02171	2.9
109.02968	13.3
113.02428	1.5
120.99693	2.0
121.02946	5.1
122.03763	12.9
123.03811	1.5
123.04540	13.9
124.01701	2.4
125.02450	67.4
126.02785	2.7
135.04536	4.0
136.01665	3.6
136.05278	4.0
136.99161	1.7
137.02451	63.6
138.03186	2.4
138.98691	1.9
139.04019	2.4
145.91667	1.3
146.03670	1.7
147.04526	1.7
148.05299	3.3
149.02405	2.1
150.03221	12.5
151.03964	5.9
154.02682	1.5
159.04521	3.3
161.02440	5.1
162.03194	5.6
163.04068	3.2
164.01175	10.0
165.01932	41.9
166.02435	2.3
167.03513	6.7
172.05325	2.2
173.06081	2.3
174.03265	3.0
175.03943	3.6
176.04726	1.7
177.05615	1.7
177.09204	25.5
178.09633	1.5
179.03522	19.2
187.03989	2.6
187.07564	1.8
188.04926	1.4
189.05565	2.0
189.09315	3.2
191.10811	12.9
199.04048	1.7
199.07681	1.3
201.05606	2.8
201.09204	5.8
203.03470	1.5
204.04204	4.5
205.08710	13.7
213.05557	2.9
217.08656	5.2
218.09404	2.7
219.06714	2.2
219.10281	16.1
221.08212	2.1
227.07191	3.2
229.08714	2.5
231.10295	2.2
233.08124	2.5
241.05055	1.8
241.08792	1.9
243.06558	1.8
244.07227	2.1
247.09785	13.2
255.10149	2.1
256.11002	2.3
259.05981	2.9
259.09796	7.3
261.07593	8.5
269.04596	2.3
270.05347	1.7
271.13348	4.5
273.11285	3.8
281.11893	1.9
287.05515	4.1
288.06357	7.0
295.06104	3.4
299.12836	2.8
301.10809	4.6
313.14493	7.0
314.14554	1.7
317.13788	1.7
341.10141	2.5
341.13861	14.6
342.14325	1.6
349.99985	1.4
367.11823	4.2
385.12933	100.0
385.26050	4.7
386.13297	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	385.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01382	4.5
60.97532	1.4
61.98830	1.0
70.29674	2.3
71.01392	4.6
73.02968	0.9
73.98310	2.8
74.99099	100.0
75.99043	0.6
75.99444	0.9
76.36079	0.6
83.01373	1.4
85.02959	2.1
87.00890	0.9
89.02451	2.6
101.02472	2.6
109.02970	1.5
113.02437	1.3
113.46852	0.7
117.76499	0.6
119.03493	0.9
120.99683	6.7
121.02958	0.5
125.02431	2.3
136.99146	76.1
137.02435	5.0
137.99474	1.8
139.07846	0.5
146.03740	1.1
150.03267	1.3
161.04562	1.5
164.01129	0.8
165.01942	1.9
165.09238	3.2
174.03166	0.8
175.07632	1.5
176.33153	0.6
187.07556	0.6
205.12288	0.8
217.08521	0.6
219.23096	0.6
229.08643	0.6
235.57857	0.6
247.09799	1.0
297.11395	0.8
340.09695	0.7
367.11801	1.6
385.12823	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	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01604	2.6
52.50491	2.0
56.36472	2.4
57.03439	3.9
59.01382	28.6
61.98832	36.0
63.21305	2.5
66.45386	2.0
69.70956	14.4
71.01391	23.0
72.99309	3.7
73.02940	5.1
74.99097	2.2
75.00874	3.4
76.41773	2.2
83.01379	2.8
85.02947	9.2
87.00878	52.2
89.02462	16.6
93.03453	2.7
94.53876	2.7
97.02946	10.2
98.20589	4.6
99.00921	3.1
101.02456	11.5
109.02951	2.9
111.04498	3.2
113.02460	28.6
115.00388	3.3
119.03513	6.4
119.05016	23.1
120.01261	3.0
120.05376	2.4
121.02959	5.6
123.04573	2.9
127.04026	3.3
134.07619	2.0
137.02415	6.4
149.02522	11.7
151.03998	2.2
153.05577	4.6
161.02428	3.4
163.02760	3.3
163.04016	29.8
164.03522	3.4
164.04793	3.4
173.04567	22.4
174.01709	22.2
175.02411	3.4
178.06343	6.0
179.05582	2.5
179.07054	3.1
180.02995	2.6
189.01978	6.6
192.02953	5.3
193.05054	5.9
193.08650	5.0
205.01575	2.5
205.05049	5.5
205.12413	10.9
206.08118	4.9
207.06673	2.7
208.07332	5.0
209.08139	2.8
223.06087	6.6
223.09694	8.9
239.09183	3.1
251.09286	2.6
261.07669	9.0
267.08658	4.6
279.08740	24.7
280.09061	5.3
293.10526	2.6
295.08026	3.5
314.06818	2.9
325.09265	8.6
339.10999	5.1
341.12369	4.1
342.06067	11.4
385.11401	100.0
385.15866	6.0
386.11386	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	385.1867
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	1.4
57.03446	3.0
58.00597	4.6
59.01380	100.0
60.01717	1.3
70.92984	0.5
70.93298	0.8
71.01385	69.2
72.01733	1.3
72.99308	5.8
73.02950	3.8
73.57150	0.4
74.99094	3.1
75.00894	0.5
75.99413	0.5
76.98694	2.8
83.01388	4.2
85.02953	15.0
87.00881	4.3
89.02446	85.7
90.02775	1.4
95.01383	5.3
97.02950	1.1
99.00871	1.2
101.02444	40.6
102.02796	1.2
107.04992	0.7
111.00800	0.4
113.02450	30.4
114.02763	0.9
119.03505	36.7
120.03834	0.7
120.99651	18.4
121.99953	0.5
123.08169	2.3
125.02428	1.2
131.03477	3.6
135.08121	1.7
136.99155	2.7
138.98694	2.0
143.03499	5.6
147.08116	1.6
149.04549	2.7
150.03133	0.4
153.08067	0.8
153.09219	12.0
154.09575	1.0
159.02878	0.8
161.04581	7.5
162.04761	0.5
165.01852	0.6
165.09189	1.1
171.08099	0.5
175.11240	0.5
179.04115	0.6
179.05615	11.7
187.11252	2.4
189.09117	0.5
190.32942	0.5
205.12317	13.7
206.12730	1.0
223.13385	2.4
385.12851	1.6
385.18570	10.4
386.19012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72879	0.8
53.78262	0.8
59.01378	11.4
61.98833	100.0
71.01386	4.4
73.02938	1.2
75.00867	1.0
78.95940	1.2
83.00880	0.9
83.01363	1.2
85.02972	2.0
87.00883	3.9
89.02457	3.3
98.19821	1.6
99.00895	1.3
101.02468	3.7
113.02477	1.8
115.00408	2.1
117.01975	1.3
119.03477	1.0
120.01233	4.5
135.04457	0.9
136.36360	0.9
137.02448	0.9
149.02362	1.3
150.10916	1.0
161.02432	10.2
161.06111	1.0
161.49191	1.1
162.02798	9.6
162.05615	1.9
165.05411	1.0
174.01677	12.4
175.02510	1.3
179.07100	1.5
189.01956	1.4
190.06316	0.9
204.02962	1.5
204.06717	1.4
205.05055	1.0
205.12265	1.6
223.06128	1.9
278.07556	1.3
295.08255	1.3
324.17593	1.4
325.09308	3.1
379.88394	1.1
384.09409	1.5
385.06516	1.2
385.11386	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	385.114
Annotation	Axitinib
Peak:m/z	Relative Intensity
58.00568	1.1
59.01376	4.8
67.35817	1.0
68.06976	1.1
69.69044	5.5
71.01364	2.8
72.99335	1.8
73.02948	4.2
75.00883	2.9
83.01373	1.7
84.29010	1.1
85.02948	4.4
87.00881	7.8
94.17567	1.0
99.00882	2.1
101.02464	2.2
103.00360	1.2
112.06402	1.1
113.99573	1.9
115.00364	10.8
115.03984	1.1
117.01953	6.3
158.25742	1.1
163.04044	1.0
170.06235	1.0
174.01695	72.6
175.02449	10.0
179.03517	2.5
193.05083	1.6
194.05891	1.0
199.20653	1.0
207.06674	1.6
209.08167	4.7
216.70493	1.1
223.06140	1.6
239.09276	3.3
267.08716	5.0
295.08273	9.1
296.85687	1.2
325.09341	12.6
326.09506	1.3
385.11395	100.0
386.11679	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	383.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.01017	0.9
61.98824	1.3
64.20101	1.1
70.27862	3.8
71.05002	1.6
73.66080	0.9
83.05045	1.0
99.00890	4.1
136.05319	1.2
148.05345	1.0
164.07977	1.0
191.38335	1.0
265.25424	5.3
303.27029	1.6
321.27963	13.9
321.31564	1.4
322.28210	1.8
339.28967	15.8
340.29309	3.3
347.25916	28.1
348.26270	4.3
365.26932	25.5
366.27344	3.6
368.23523	4.4
383.28024	100.0
384.28366	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	383.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
70.85581	0.6
71.05006	0.3
74.17120	0.3
76.22446	0.3
83.05029	0.5
98.95573	0.3
106.73739	0.3
160.82211	0.3
238.48639	0.3
293.28616	0.7
308.98938	0.3
319.29956	1.1
320.30157	0.4
321.31619	62.3
322.28134	0.5
322.31982	10.0
337.31396	0.4
339.32629	2.1
350.06308	0.3
365.30615	15.5
366.30984	2.8
375.55252	0.3
383.31668	100.0
384.32007	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03448	1.1
58.00590	1.0
59.01384	23.5
61.98825	2.3
65.14151	0.7
67.01900	4.0
70.11362	2.4
71.01382	16.7
72.99308	1.5
73.02943	1.3
74.99109	1.5
75.00862	1.4
83.01392	3.9
85.02953	17.4
86.03292	0.7
87.00880	3.9
89.02439	9.8
92.05064	13.7
93.05415	0.9
95.01398	1.1
99.00878	1.2
101.02451	12.5
113.02457	4.2
115.00372	1.1
117.01929	3.2
119.03492	3.1
119.05016	4.7
120.01249	2.2
120.05374	2.4
120.99664	5.7
129.01949	10.8
131.03502	0.7
132.08212	2.2
135.04553	0.8
145.02965	5.2
146.03288	2.1
148.07639	1.8
149.02420	1.6
150.06779	0.8
158.06154	1.5
160.07652	7.6
161.08063	1.2
163.03998	5.4
164.04536	2.7
174.01691	8.8
175.02426	0.9
176.07166	8.3
178.06395	1.3
179.03555	0.7
179.07161	0.7
190.02678	1.4
204.06667	24.5
205.05067	3.1
205.07014	1.7
208.03751	1.9
222.05258	1.2
222.07703	17.9
223.06155	3.8
223.08025	1.1
235.05916	0.9
250.49071	0.8
265.07108	3.8
295.08191	1.7
325.09296	1.3
384.13019	100.0
385.12720	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	383.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	10.5
56.99832	1.2
57.03442	4.8
58.00598	2.9
59.01378	64.0
61.98828	7.6
69.03445	3.0
70.98934	2.4
70.99268	1.3
71.01382	100.0
72.01703	2.0
72.99303	3.5
73.02944	38.8
75.00877	4.2
83.01384	18.4
85.02952	45.4
87.00876	4.2
89.02440	42.6
95.01372	6.7
97.02947	3.9
99.00874	19.2
101.02444	90.7
102.02768	2.2
103.04005	5.7
103.60088	1.5
111.00867	2.7
113.02444	36.1
115.00337	1.5
115.04010	2.7
119.03482	6.0
125.02481	7.6
131.03503	5.5
134.04730	1.5
143.03474	4.2
149.04539	9.4
159.02969	7.4
161.02391	4.7
161.04564	49.2
162.04944	2.7
176.03537	1.5
177.03949	1.7
179.05585	2.1
191.05655	1.9
203.40121	1.2
204.03030	1.9
221.06862	1.8
221.10297	19.7
222.10640	2.5
233.06627	6.0
251.11348	99.6
252.11743	7.5
293.08896	2.3
325.49405	1.4
366.19501	1.4
383.15570	97.5
384.15884	12.1
399.19940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31450	0.4
53.52905	0.5
56.39075	0.4
56.58712	0.4
56.73266	0.4
59.01390	2.4
61.98838	0.6
70.85776	0.9
83.73495	0.4
97.92473	0.5
114.22115	0.5
301.21722	100.0
302.22086	14.2
302.25549	0.8
337.31177	0.9
353.30725	0.5
356.17865	0.7
365.30524	3.5
383.22089	34.6
383.31769	3.7
384.22406	5.8
384.31729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1196
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
56.12178	1.6
57.03448	54.4
58.03145	1.3
58.03793	2.0
59.01378	44.7
61.98557	1.5
61.98815	9.2
70.13976	6.7
71.01388	29.4
72.97528	1.8
73.02949	15.0
73.19488	1.5
73.91082	1.4
75.00890	3.5
79.05526	2.5
81.03478	2.7
83.01398	10.5
85.02936	8.3
87.00885	6.2
89.02438	25.8
95.01408	1.8
97.02950	1.9
97.06567	1.7
98.19965	2.3
99.04524	46.3
101.01771	3.0
101.02443	61.5
112.98547	3.7
113.02446	15.3
113.06104	2.7
119.03497	10.2
123.04525	11.2
125.02451	12.7
127.22005	1.6
129.01947	1.7
130.08745	2.3
131.03516	11.9
131.09134	2.2
134.04704	4.8
141.05566	3.2
143.03511	7.4
149.04529	9.5
161.04553	100.0
162.04915	4.4
176.07236	1.4
176.20374	1.7
179.05598	5.9
193.38396	1.5
203.05635	3.1
209.06859	1.7
221.06673	29.6
222.07089	2.5
233.06657	5.2
239.07721	7.2
263.07687	20.6
267.10965	2.7
293.08990	2.3
383.11942	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89046	3.9
54.22390	4.0
57.03447	7.1
59.01093	6.1
59.01379	100.0
61.98833	20.9
70.63445	11.4
71.01386	39.3
73.02955	15.0
74.99072	4.0
81.90767	3.5
83.01371	5.3
85.02485	3.4
85.02949	16.6
87.00840	9.2
89.02440	18.0
101.02436	35.0
113.02450	14.5
119.03512	5.6
120.01254	10.6
124.39032	4.4
125.02498	5.0
137.02434	5.8
138.03252	3.8
160.04039	5.5
161.02441	82.3
161.04469	26.8
161.08212	9.2
163.03905	3.8
251.11368	41.2
265.07184	7.4
273.92099	3.7
283.34543	4.3
295.08182	5.5
323.17120	40.2
324.17218	5.1
365.38174	4.5
374.89792	3.9
383.14798	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	383.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70312	5.1
59.01381	57.6
61.98829	47.7
69.36283	18.9
69.36714	24.7
71.01390	16.2
72.99323	12.7
75.00880	6.1
79.18733	4.7
83.01369	4.5
85.02944	4.6
87.00873	12.6
89.02443	14.7
89.47296	5.2
95.01568	4.7
98.20728	8.7
101.02460	18.0
113.02441	11.4
119.03507	5.8
120.01260	24.1
134.45984	5.4
143.44775	4.6
148.04051	9.3
160.04066	18.0
161.02444	100.0
161.04549	7.5
163.04010	15.5
179.07170	6.3
191.03493	7.8
204.02946	23.9
209.08214	5.9
222.04134	20.1
265.07193	19.5
277.07248	15.3
294.09561	6.2
295.08310	8.4
308.49619	4.9
323.17020	17.1
383.14594	25.7
383.20859	7.3
384.09396	31.6
384.14380	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	383.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01378	2.9
60.97537	1.4
62.00599	0.6
63.64668	0.5
69.38571	5.5
69.38909	0.9
71.01392	2.4
71.52824	0.5
72.99332	0.6
73.98331	4.1
74.99101	100.0
75.99048	0.6
75.99445	1.4
83.01417	0.8
83.04996	0.6
85.02963	1.6
87.00910	1.1
89.02493	0.8
101.02464	2.2
113.02438	1.0
118.98090	1.0
120.99657	1.7
125.02406	0.6
127.00340	1.0
134.03639	2.8
135.49197	0.6
136.99152	82.2
137.99429	2.2
161.04628	0.7
161.09697	1.2
163.04007	1.1
176.04578	1.3
188.76622	0.6
192.08051	0.7
198.85869	0.6
201.12935	0.7
203.10820	2.2
221.08321	0.8
221.11867	2.2
227.10854	0.7
233.10060	4.4
245.11874	1.5
249.13470	1.8
250.13771	1.3
251.13890	3.7
281.10519	0.6
295.10046	1.1
311.11508	0.7
321.10013	0.9
339.11084	2.6
340.25906	0.6
383.11038	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	383.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63619	0.4
52.67696	0.5
57.03448	0.7
59.01387	1.8
60.97546	2.1
61.98838	4.8
63.28135	0.4
64.33012	0.4
71.01402	1.1
71.05021	0.6
72.99317	1.2
73.98315	4.1
74.99104	100.0
75.99442	1.4
83.05035	0.6
85.02988	0.5
87.04540	0.5
89.02453	0.5
92.50060	0.5
99.00916	0.5
101.02445	0.7
113.02541	0.5
120.99664	0.7
130.08771	1.3
136.99156	63.5
137.99467	0.6
139.63788	0.4
194.40741	0.4
207.17528	0.5
217.12325	0.5
219.58063	0.4
233.19289	1.1
261.11377	0.5
277.18127	1.1
303.16132	0.7
307.18771	0.6
321.20706	1.1
339.21866	0.9
340.22339	0.4
365.16122	1.9
365.19995	0.5
382.54303	0.5
383.12509	0.5
383.20908	7.8
384.21072	0.7
384.25146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01707	1.0
60.25441	0.9
69.57421	0.8
70.62110	3.2
71.01364	1.2
77.95751	0.9
82.51277	0.9
88.77261	0.9
126.05626	3.9
142.04813	1.1
161.53032	1.0
201.11325	0.9
224.01265	1.0
255.23323	14.4
256.23605	1.4
260.97766	1.0
281.24966	1.0
295.26349	1.0
322.27380	1.2
335.26028	1.1
338.31680	1.6
351.55170	0.9
382.30167	1.5
383.27280	1.2
383.31821	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	383.077
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01381	5.4
61.26484	1.0
61.98831	2.2
68.55332	0.9
69.35910	2.3
69.36324	6.6
74.21243	1.0
85.02955	1.5
99.47852	0.9
104.61765	1.1
113.02482	1.6
115.04015	2.0
119.05070	1.2
120.02481	1.0
121.02963	100.0
122.03305	3.7
125.09692	1.4
145.03026	1.6
147.04512	1.5
149.02533	2.1
152.41925	1.0
180.02809	1.0
181.06577	5.0
191.03519	8.3
225.05557	7.4
226.06001	1.3
251.07109	3.7
263.77536	1.1
264.83463	1.1
275.72281	1.0
295.06122	11.7
296.06241	1.3
311.09271	14.6
312.09534	2.4
313.07138	18.6
314.07486	2.6
339.08759	14.8
340.09021	1.8
368.16119	1.4
383.07761	22.9
383.13028	1.8
383.14252	1.3
383.22989	1.5
384.08038	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	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.7
65.22677	0.4
67.79144	0.3
69.71165	2.1
71.01355	0.4
74.98720	0.4
85.52005	0.3
88.18672	0.3
98.20602	0.4
117.03480	0.5
123.04552	0.4
133.02946	2.8
133.30692	0.3
160.04082	0.9
161.02446	100.0
162.01505	0.5
162.02779	6.5
201.73106	0.3
204.02948	0.7
223.98798	0.3
282.81271	0.3
362.05878	0.4
384.09097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	16.3
59.01391	77.6
61.98824	11.4
63.03548	10.1
69.33298	100.0
71.01395	11.2
72.99303	16.2
83.05018	14.9
85.02934	10.8
96.96037	12.0
159.04483	11.4
171.94987	9.7
174.06854	11.3
322.15616	13.9
337.18042	22.5
381.22659	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
69.59816	1.1
71.18784	2.7
73.77308	1.0
79.95744	1.7
94.91631	1.1
96.95999	11.0
122.59032	0.9
129.42358	1.1
206.43913	1.1
241.93646	1.0
319.30072	32.0
320.30411	4.6
324.39191	1.1
337.31146	15.9
338.31366	2.3
363.29160	10.2
364.29263	1.8
381.23251	12.4
381.30078	100.0
381.37762	2.9
382.23099	1.3
382.30438	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	382.1005
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
54.98611	0.4
57.03459	0.8
57.41893	0.4
58.00575	0.4
59.01383	9.1
61.98833	5.3
65.21257	0.4
71.01385	17.6
71.62580	0.4
71.62965	0.5
72.99303	0.7
73.02946	3.1
75.00872	1.3
76.97614	0.4
83.01382	1.8
85.02967	3.9
85.39655	0.4
87.00888	1.8
87.02738	1.1
89.02438	4.7
89.45389	0.5
92.02543	1.2
95.01408	0.6
99.00879	1.7
101.02453	11.1
103.04009	0.6
107.03645	2.1
109.02991	0.7
111.00898	0.5
113.02466	4.0
115.00371	14.7
119.03562	2.4
119.05072	0.7
122.02500	0.7
123.04510	0.4
125.02439	0.8
131.03523	1.2
132.04585	1.2
133.03906	0.4
134.04733	100.0
135.05190	3.1
135.06831	1.0
137.02547	0.5
140.87440	0.4
143.03534	0.7
149.02425	0.5
153.68985	0.5
158.06082	2.6
161.02473	4.9
161.04543	4.0
162.04904	0.5
162.07858	7.4
176.03505	4.5
179.05730	0.6
188.05756	1.2
191.03574	0.7
202.05141	1.4
203.05624	0.6
206.06827	33.4
207.07143	1.5
219.02988	0.7
220.06204	0.6
221.06670	0.6
221.10257	2.3
232.04733	0.7
237.06230	0.5
249.06107	0.7
250.05826	4.5
251.11371	9.2
265.07239	0.5
266.09009	4.7
267.11118	0.5
339.06949	0.7
382.10089	28.8
383.10410	2.5
383.15598	4.0
383.20779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
58.00601	0.7
58.13472	0.6
59.01386	13.6
61.98833	9.0
65.55733	0.6
69.87312	1.2
69.87726	2.7
71.01392	10.7
72.99309	1.4
73.02950	2.1
74.99098	1.8
75.00877	20.8
83.01382	1.1
85.02964	3.6
87.00880	17.1
89.02451	6.1
95.01379	0.7
99.00882	1.2
101.02442	7.8
113.02431	3.8
114.09560	0.8
115.05546	6.2
116.05067	3.2
117.01945	0.9
119.03500	2.4
120.01249	0.9
123.00880	1.2
124.01738	0.7
125.02477	0.9
128.03586	0.6
130.06635	8.2
132.04558	28.0
133.04875	1.2
133.06599	1.0
135.04515	1.0
136.99150	1.8
139.04056	0.9
144.04588	1.8
146.06107	0.7
151.00386	0.7
154.06195	0.6
157.05327	1.4
158.06116	100.0
159.06459	7.6
161.02429	1.2
161.04599	1.1
163.03944	1.0
174.05576	3.2
176.07162	0.8
177.01920	0.8
187.39464	0.7
202.05109	43.8
203.03531	1.3
203.05420	2.9
203.10657	0.7
220.06183	7.9
221.04568	1.2
221.06601	0.8
231.05023	0.8
237.06139	8.7
249.06157	11.7
262.07227	1.7
319.13113	0.7
328.97757	1.4
331.70425	0.6
382.11426	55.6
383.11938	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	381.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.0
69.31683	4.5
69.32090	1.2
71.01370	3.2
73.02946	1.5
74.05927	0.5
74.99097	1.7
82.22002	0.7
83.01404	1.0
85.02961	1.0
98.19874	1.0
100.63135	0.6
101.02438	4.5
107.04766	0.5
112.75243	0.7
113.02514	1.4
120.99656	24.4
131.42242	0.6
136.99168	1.0
161.04541	3.0
187.85683	0.6
215.10744	1.4
259.09906	1.4
321.19183	12.3
321.22864	1.0
322.19446	0.8
337.11197	0.8
381.19617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.0
69.31683	4.5
69.32090	1.2
71.01370	3.2
73.02946	1.5
74.05927	0.5
74.99097	1.7
82.22002	0.7
83.01404	1.0
85.02961	1.0
98.19874	1.0
100.63135	0.6
101.02438	4.5
107.04766	0.5
112.75243	0.7
113.02514	1.4
120.99656	24.4
131.42242	0.6
136.99168	1.0
161.04541	3.0
187.85683	0.6
215.10744	1.4
259.09906	1.4
321.19183	12.3
321.22864	1.0
322.19446	0.8
337.11197	0.8
381.19617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
57.03448	7.6
58.00589	3.6
59.01381	68.9
60.01704	0.8
64.13679	0.7
69.03484	1.5
71.01384	75.6
71.62897	1.2
72.99313	4.3
73.02952	23.5
75.67039	0.7
83.01385	15.6
85.02954	31.9
85.06561	1.1
86.00094	2.0
87.00866	4.4
89.02445	33.3
95.01392	3.2
97.02953	3.0
99.00876	7.7
101.02446	75.7
101.06117	1.7
102.02762	1.9
111.00890	6.5
113.02454	23.4
113.42521	0.9
115.03986	1.7
119.03524	1.6
121.03007	1.1
125.01585	0.8
125.02435	4.3
128.30434	0.9
129.01941	2.4
131.03500	27.7
131.11859	0.8
143.03476	3.1
149.04549	9.0
157.08653	1.0
159.02960	3.6
161.04564	18.7
167.10655	0.9
191.05402	0.8
233.06685	4.4
249.13423	100.0
250.13751	7.0
293.12381	1.3
337.20493	1.0
381.17654	68.5
382.18015	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	381.192
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
50.16014	0.4
55.01869	0.4
56.03655	0.4
59.01367	1.2
60.99306	0.4
69.03465	2.0
69.07439	0.4
71.05017	1.1
73.02930	0.4
83.04990	0.4
85.02959	2.0
85.06591	9.5
86.06930	0.5
87.00878	2.2
87.04510	1.2
95.05038	1.0
97.02957	1.2
97.06571	1.9
99.04499	2.5
107.05041	1.8
109.06571	1.1
111.00912	0.4
111.04526	2.1
111.08231	0.4
113.06092	1.5
120.99670	0.5
123.04538	2.8
125.02462	3.8
125.06086	7.8
126.06435	0.4
127.07668	0.4
127.81165	0.4
133.06628	0.5
135.04533	6.4
137.06075	1.3
137.09694	0.8
138.03230	3.5
139.03999	2.7
141.05579	6.7
149.09718	5.8
151.03996	5.0
151.07654	6.5
153.05573	40.7
154.05963	2.3
155.07077	0.8
157.05016	1.3
164.21761	0.4
165.09200	1.1
167.10770	1.4
169.08710	1.7
175.07660	2.4
177.09183	0.8
181.05063	0.5
183.06586	0.7
185.00897	1.1
187.11282	1.7
189.09187	2.8
193.08714	3.0
203.10764	3.3
204.11075	0.6
205.10483	0.8
205.12335	11.6
206.12651	1.2
211.09760	0.8
215.10767	0.8
219.10182	1.1
221.11893	3.2
224.95428	0.4
226.52277	0.4
231.10300	0.6
233.11761	1.8
234.34044	0.4
244.07167	0.4
249.11311	0.7
251.12761	0.6
257.48160	0.4
259.09903	0.9
277.10718	2.1
294.07709	1.0
295.11862	1.4
295.15176	0.5
363.18091	0.5
381.19177	100.0
382.19519	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.9
57.03433	3.3
58.00587	1.5
59.01381	33.9
61.98839	5.9
69.03455	1.4
69.60477	4.2
71.01386	46.9
72.99325	2.5
73.02950	19.2
73.03338	1.4
73.84331	0.7
75.00886	1.9
75.93180	0.7
83.01389	14.1
85.02950	23.5
86.00065	0.7
86.03320	0.8
87.00891	3.1
87.04527	0.9
89.02444	9.3
95.01385	4.4
97.02964	1.8
98.19814	1.1
99.00885	6.2
101.02448	49.2
102.02804	1.7
103.04035	1.8
109.02960	1.7
111.00881	1.5
113.02450	18.2
119.03504	2.9
123.04531	1.9
125.02462	3.4
128.05093	0.7
129.01897	1.1
143.03500	3.0
151.03929	1.2
159.03014	3.4
161.04564	22.1
162.04866	1.1
175.04025	1.4
179.05696	0.9
215.03363	1.1
217.05118	1.3
229.05058	1.8
235.11861	100.0
236.12231	7.5
263.61523	0.7
279.10797	0.8
339.08820	2.7
357.71179	0.7
381.09958	4.4
381.17609	27.3
382.17969	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33633	1.2
55.01859	1.3
55.26384	1.2
57.03441	1.9
58.00576	1.8
59.01380	100.0
61.98825	5.3
70.76765	2.1
70.77097	1.7
71.01382	31.6
72.99302	3.3
73.02943	6.3
75.00855	2.2
83.01378	4.0
85.02949	13.2
87.00868	3.0
89.02442	20.5
90.53524	1.2
95.01390	2.8
97.02965	1.3
97.06617	1.5
99.00880	3.2
101.02448	30.5
113.02448	13.9
119.03497	9.0
123.68791	1.4
125.02445	2.6
132.04596	1.7
143.03484	1.7
158.06137	6.1
159.03003	3.8
159.06540	3.2
159.10292	6.9
160.04039	2.0
161.04564	26.7
179.05580	5.3
202.05133	2.7
219.12335	2.4
321.15527	36.3
322.15891	3.9
339.08643	1.5
340.62958	1.4
345.11978	1.3
381.13007	2.8
381.17584	11.1
382.11530	5.1
382.17773	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53807	0.2
55.01875	4.0
57.03448	3.4
58.00594	1.9
59.01380	29.7
60.01727	0.5
61.98826	1.2
63.83891	0.3
68.99837	0.4
69.03458	1.3
70.89601	0.5
71.01383	42.9
71.05027	0.5
72.01721	0.7
72.99323	2.4
73.02949	19.5
73.06590	0.5
74.03281	0.4
75.00871	1.4
78.50681	0.3
81.03483	0.5
83.01389	13.4
84.01693	0.4
85.02952	24.2
86.00098	0.9
86.03299	0.6
87.00878	2.5
87.04527	0.4
89.02449	6.9
95.01388	2.4
96.01736	0.3
97.02961	1.5
99.00877	7.6
101.02445	45.1
102.02793	1.4
103.04018	1.6
108.32249	0.2
109.02956	0.8
111.00873	1.2
113.02451	18.2
115.03986	0.4
117.05579	0.3
119.03487	1.9
123.04486	0.7
123.23737	0.3
125.02452	2.7
127.04010	0.4
129.01944	1.5
131.03510	1.1
143.03488	2.9
143.07170	0.4
145.05063	0.7
150.50365	0.3
159.02991	3.8
161.04559	22.7
162.04898	0.7
163.06154	0.6
175.04036	0.4
179.05542	0.3
187.04071	0.3
187.87865	0.3
205.03477	0.7
217.05043	0.3
219.15968	0.3
224.58533	0.3
229.05066	0.4
229.07072	0.6
235.11858	100.0
236.12183	6.9
247.08231	0.9
249.13315	0.5
279.10754	0.7
281.04413	0.3
296.19537	0.3
339.08731	1.1
354.89841	0.3
363.12900	0.4
381.10568	1.3
381.17612	26.5
382.10648	0.3
382.17908	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48931	0.4
52.36807	0.4
55.01875	4.3
57.03455	3.8
57.40287	0.4
58.00593	1.6
59.01378	28.7
60.01725	0.5
67.71128	0.5
69.03453	0.8
71.01382	42.6
71.23497	0.4
71.61947	0.5
72.01734	0.8
72.99310	2.0
73.02948	22.0
74.03314	0.7
75.00887	1.1
81.03480	0.5
83.01389	11.2
85.02952	24.1
85.06610	1.0
86.00111	1.1
86.03287	0.5
87.00861	2.2
87.08154	1.0
89.02441	9.0
95.01379	3.1
97.02927	2.1
99.00890	7.6
99.04533	0.6
101.02444	49.6
102.02805	1.5
111.00902	1.8
113.02446	16.7
114.02750	0.6
115.04034	1.1
119.03516	0.9
125.02431	2.2
129.01952	1.1
131.03491	3.0
143.03484	2.7
149.04546	1.0
155.10719	0.5
157.08690	0.6
159.02998	3.1
161.04559	17.4
162.04944	0.5
205.03474	0.5
233.06731	1.1
249.13425	100.0
250.13760	7.4
293.08957	0.5
293.12421	1.1
327.16156	0.6
381.17624	45.3
382.17917	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	381.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
57.03445	2.7
58.00587	1.2
59.01378	23.4
60.01700	0.7
64.39786	0.4
69.03454	1.0
71.01382	31.5
71.62484	0.4
72.01699	0.4
72.99319	1.6
73.02945	14.0
74.99081	0.4
75.00888	0.8
79.81318	0.3
83.01389	8.8
85.02950	20.0
85.06596	0.6
86.00086	0.6
86.03281	0.7
87.00872	1.6
87.08173	0.8
89.02439	4.9
95.01405	2.3
97.02951	1.3
99.00880	7.1
101.02441	38.3
101.06065	0.7
102.02768	1.5
104.50446	0.4
111.00880	1.1
111.63040	0.3
113.02449	13.8
114.02808	0.4
119.03457	0.6
120.99623	0.5
123.04579	0.4
125.02425	1.1
129.01941	1.5
131.03522	0.7
136.99088	0.4
143.03510	1.9
149.04552	0.6
157.08723	0.8
159.02956	3.0
161.04559	14.9
162.04869	1.1
177.01985	0.4
181.05142	0.4
203.07063	1.2
218.09470	0.8
235.24437	0.4
249.13420	100.0
250.13762	7.8
277.10770	0.5
293.12442	0.9
307.11798	1.0
381.12289	0.7
381.17624	9.4
382.18100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
59.96729	1.8
60.97503	1.4
61.98829	3.1
74.99081	26.1
75.96227	1.4
83.92579	1.2
84.52538	1.3
91.02218	47.2
93.00150	18.5
98.19803	2.2
110.54459	1.3
116.66209	1.4
136.36078	1.4
159.08473	100.0
160.08591	6.1
161.06367	12.7
161.94231	1.5
261.44592	1.5
365.11383	1.5
367.84146	1.4
381.24490	2.4
381.29977	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83768	2.2
56.13966	2.1
59.01368	7.6
61.98828	2.9
62.83649	2.0
65.22350	2.0
67.76431	2.0
71.63055	3.2
71.75084	1.9
78.95901	2.5
79.73659	2.4
83.05017	2.6
108.02178	6.1
109.02991	10.8
121.02950	10.4
122.03720	8.1
123.04536	30.6
133.02917	2.7
134.03748	35.9
135.04510	6.7
137.02454	3.9
146.03723	5.0
147.04535	5.6
148.05264	7.5
149.06064	30.8
154.02661	2.9
159.04515	3.6
161.06020	4.7
172.05247	4.0
173.06006	6.6
174.06863	6.9
185.06104	2.8
187.07588	3.4
188.08443	3.2
189.09210	3.3
201.12859	3.5
215.07147	7.0
216.07851	6.3
223.07643	3.4
231.10295	6.5
236.08386	5.0
237.09245	18.7
239.10645	2.2
251.10767	26.5
252.11528	17.8
253.08800	3.9
253.11699	3.7
265.12219	2.7
267.13919	11.8
268.11163	2.4
277.12070	3.0
279.13864	6.5
281.08298	13.6
289.12219	2.4
293.15530	13.5
294.15927	3.5
295.09738	4.9
296.10532	20.6
297.10861	2.8
307.13220	10.7
311.12894	100.0
312.13281	11.6
321.15009	6.0
322.15701	23.1
323.12741	2.4
337.18176	28.2
338.18439	4.1
366.14621	3.7
381.17032	50.9
381.21411	2.1
382.17276	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	381.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04668	0.4
52.68173	0.3
59.01380	1.2
65.12563	0.3
71.63275	0.6
81.03462	0.4
93.03473	0.3
108.02193	1.5
109.02933	0.8
109.41799	0.3
123.35469	0.3
133.72661	0.3
136.01660	15.5
137.02443	100.0
138.02785	4.6
152.99628	0.4
165.09224	0.4
170.10692	0.4
204.30487	0.3
381.17026	29.7
382.17361	5.3
402.37177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1562
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.74965	0.5
53.90656	0.5
54.53026	0.5
57.03434	1.0
58.00588	0.5
59.01385	20.1
61.98838	3.1
68.99502	0.5
70.81455	1.5
71.01382	33.1
71.05021	7.2
72.00903	0.6
72.01727	0.9
73.02942	1.4
83.01396	1.0
85.02961	3.8
87.00883	0.8
88.04044	4.3
89.02444	9.0
95.01433	0.6
99.00890	0.9
99.04517	2.6
101.02448	8.7
101.03478	0.5
113.02456	4.8
116.03537	1.3
116.07146	1.2
119.03505	3.4
120.18484	0.6
125.63179	0.5
128.07170	2.1
129.05586	0.7
146.08238	60.4
147.08556	2.1
149.04559	0.9
161.04501	1.0
200.09325	1.0
219.12378	0.7
263.11362	0.6
308.13464	7.4
309.14011	0.8
362.14606	1.5
380.15625	100.0
381.16003	11.3
398.77216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0828
Annotation	Chrysoqueen
Peak:m/z	Relative Intensity
52.07568	1.0
54.55524	1.0
59.01379	9.1
61.98824	3.3
69.48206	4.4
69.48615	2.3
71.01367	2.8
74.12746	1.0
81.42877	0.9
83.98475	0.9
85.02955	1.0
87.04535	1.0
95.05011	1.1
97.06572	1.2
99.04508	0.9
101.02447	2.3
111.04494	2.0
118.98032	1.0
120.99659	16.3
125.06074	1.2
135.04549	1.1
135.08179	0.8
137.06107	0.9
145.02962	1.4
153.05577	2.7
159.04514	1.2
160.01616	5.4
161.05894	1.2
173.02448	4.1
174.03212	22.7
175.04012	18.1
176.04309	1.9
187.04019	3.1
188.01137	19.1
189.01607	1.5
200.01134	3.6
201.01787	1.2
205.12320	1.2
213.05440	1.0
215.10860	1.7
218.02200	100.0
219.02542	7.6
219.13861	1.5
259.09717	1.4
295.11783	1.2
363.07193	5.7
364.07629	1.1
381.08267	90.8
381.18808	6.2
382.08643	11.5
382.19284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.249
Annotation	19-Acetoxy-12,20-dihydroxygeranylnerol
Peak:m/z	Relative Intensity
51.24726	4.2
52.86039	4.6
57.03453	9.2
58.00604	7.5
59.01383	62.4
59.97275	4.5
70.11665	21.4
71.01373	15.7
72.31908	3.9
73.02946	38.0
75.00870	25.1
83.01412	6.9
83.05025	5.2
95.05022	5.1
96.30564	4.4
96.95991	8.1
98.19897	6.3
101.02455	12.6
105.01924	18.7
111.08121	6.1
120.52904	4.3
125.06094	7.1
127.11224	4.7
139.07639	9.7
195.17455	5.2
228.00369	4.5
231.87096	5.2
244.39513	4.4
255.21169	6.3
263.23782	7.1
273.22278	30.8
274.22562	5.8
277.21713	82.6
278.22046	12.2
287.23877	5.7
289.21701	20.1
291.23300	100.0
292.23636	16.9
301.21729	69.2
302.22040	12.1
303.23175	12.7
319.22672	53.2
320.23148	8.6
331.22748	53.3
332.23132	6.1
335.25772	5.0
349.23792	13.6
379.21289	4.3
379.25003	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2487
Annotation	19-Acetoxy-12,20-dihydroxygeranylnerol
Peak:m/z	Relative Intensity
57.03427	6.4
58.00593	4.8
59.01379	54.5
68.99812	2.5
71.01381	25.1
71.63490	3.1
71.63870	2.3
72.99306	2.8
73.02944	15.7
75.00871	34.8
83.01370	3.1
87.00851	2.8
89.02439	7.4
96.96014	13.7
101.02430	18.5
105.01946	22.2
107.00055	2.2
111.01899	2.2
111.99819	3.1
125.06046	5.7
126.33629	2.5
139.07629	5.4
167.14339	2.4
180.31021	2.0
183.65787	2.3
196.32513	2.5
254.89120	2.9
259.20642	4.0
261.22272	3.1
273.17874	2.9
273.22134	7.1
275.23764	7.6
277.21722	89.2
278.22092	13.4
287.23639	4.2
289.21600	7.2
291.23328	29.9
292.23596	4.6
299.25848	6.5
301.21704	12.3
303.23309	22.2
319.22760	73.6
320.23123	11.1
331.22791	100.0
332.23166	15.9
349.23849	20.9
350.23962	3.2
361.23712	3.6
379.20987	7.7
379.25473	24.3
380.25095	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	379.1579
Annotation	DMH-1
Peak:m/z	Relative Intensity
50.70782	1.0
60.55191	1.1
61.98820	4.1
99.92590	78.6
100.90427	1.3
100.92594	4.3
100.93358	1.9
115.92081	40.9
116.92186	3.6
116.92861	100.0
117.92885	7.1
119.38508	0.9
131.91611	1.4
140.80681	1.0
142.93250	1.0
164.28287	1.0
279.23389	1.2
335.16977	1.6
347.26038	1.3
375.12653	2.3
376.50674	1.6
379.15823	60.2
379.28525	18.4
380.16037	12.3
380.28864	2.7
393.13812	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01867	1.2
57.03447	1.3
58.00589	3.6
59.01381	98.8
60.01717	1.1
69.68625	4.5
71.01384	65.6
72.01713	1.3
72.99306	2.8
73.02951	7.5
80.11485	0.7
83.01387	4.2
85.02950	13.8
87.00872	3.9
89.02446	100.0
90.02794	1.9
93.82037	0.7
95.01405	2.8
99.00869	1.6
101.02444	39.1
105.53051	0.7
113.02450	25.7
113.03236	1.3
114.74538	0.8
119.03503	30.2
125.02411	1.7
131.03503	11.6
132.03880	0.8
143.03513	5.1
149.04559	19.7
161.04541	6.7
179.05615	20.9
180.05939	1.1
186.83733	0.8
191.05618	5.4
247.11870	10.7
379.16226	6.1
380.16464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29198	0.5
55.01878	1.7
57.03449	1.8
58.00598	5.5
58.84228	0.5
59.01384	91.3
60.01720	1.8
63.00065	0.6
66.33807	0.6
69.03465	1.5
69.43132	4.4
71.01387	70.1
72.01719	1.4
72.99314	4.2
73.02950	8.7
83.01376	3.0
85.02954	13.9
85.93410	0.6
87.00875	4.9
89.02451	100.0
90.02785	1.9
95.01373	3.7
97.02967	1.8
99.00889	3.9
99.04547	0.6
101.02448	38.6
102.30722	0.5
113.02455	24.9
114.02785	0.8
116.96607	0.5
119.03511	24.3
120.03819	0.6
124.41460	0.6
125.02421	2.2
131.03513	14.8
143.03485	5.1
148.15344	0.6
149.04564	29.1
150.04843	1.7
151.00731	0.9
161.04553	7.6
168.42529	0.6
179.05618	19.4
191.05615	7.5
205.22200	0.6
247.11865	12.0
248.12213	1.4
301.06918	0.6
331.11703	0.7
379.16101	8.6
379.23190	1.1
380.16245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1552
Annotation	Folipastatin
Peak:m/z	Relative Intensity
53.39601	1.2
59.01377	2.9
64.62229	1.3
69.03448	1.4
70.20303	4.6
71.04984	1.2
77.84601	1.1
88.67809	1.1
96.96021	2.4
112.72930	1.2
125.44896	1.3
127.07706	1.6
136.33667	1.0
137.02443	4.6
184.35660	1.3
185.31401	1.1
221.15459	2.2
251.07011	2.0
251.16461	3.4
259.96704	1.6
277.08768	1.7
287.10989	2.3
289.08655	14.8
290.09479	24.7
291.10022	5.9
303.10257	22.4
303.13565	1.3
304.10995	19.9
305.11798	76.4
305.21188	3.5
306.12241	11.2
309.11282	4.7
319.13391	32.8
320.14044	17.3
321.07770	1.6
321.14505	2.9
322.08337	3.0
335.13043	2.0
335.16531	40.0
336.16858	5.4
337.10834	1.9
349.10733	5.0
364.13159	94.4
365.13593	14.4
379.15472	100.0
380.15872	19.1
380.41217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11045	0.7
59.01390	3.0
61.98834	100.0
62.98504	0.6
66.95242	0.5
70.07114	0.7
70.07449	2.8
71.01384	1.3
71.56644	0.5
73.02966	0.7
89.02473	1.0
101.02454	0.9
110.56232	0.7
215.27612	0.6
258.58887	0.6
343.78189	0.7
346.09497	0.6
378.12195	0.7
379.16290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72861	0.4
59.01389	1.7
61.98837	100.0
70.26530	1.1
75.00887	0.5
91.26781	0.4
96.96028	1.1
97.06499	0.5
150.07417	0.5
293.21310	0.5
305.21176	0.6
319.22900	0.4
378.19128	3.1
378.23746	1.1
379.25189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	42.2
58.00592	3.3
58.63612	2.7
59.01379	100.0
60.99305	4.3
61.98846	2.8
66.91975	2.6
68.72057	2.9
69.89940	2.7
71.01384	56.9
71.61923	3.6
72.99310	6.1
73.02936	13.3
74.99064	2.9
75.00914	2.9
76.94028	2.7
76.96692	2.7
83.01398	8.1
83.05030	2.7
85.02953	22.4
87.00881	5.7
88.98817	26.9
89.02444	46.5
95.61671	3.2
97.02959	5.3
99.00892	6.6
99.04531	27.8
101.02444	42.6
108.04556	3.8
111.08145	3.0
113.02446	20.2
119.03517	18.6
125.02464	9.1
131.03554	4.7
143.03517	5.1
149.04523	9.7
149.58163	2.6
150.05566	3.9
151.00728	4.0
161.04524	17.7
172.77335	2.5
179.05591	6.2
206.01920	3.1
217.10808	3.6
235.11867	6.5
247.11874	42.7
248.12325	3.6
268.28271	2.7
273.11084	3.7
285.08688	8.0
317.11273	3.2
379.15982	31.2
379.23389	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	23.8
66.12541	1.6
70.57750	1.6
70.87774	1.7
71.17966	3.0
75.00873	7.1
83.05037	1.9
88.84307	1.4
93.55219	1.6
95.05050	2.8
105.97173	1.8
125.09579	1.5
139.04047	2.2
162.62093	1.7
171.10292	31.0
172.10658	3.6
277.21732	46.2
278.22070	5.5
295.22806	100.0
296.23242	14.8
317.21042	32.7
318.21323	5.3
353.43405	1.7
361.20041	6.6
377.18707	2.8
377.23083	27.8
377.27631	2.4
378.23413	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	378.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01382	14.3
61.98833	100.0
62.51314	0.5
70.03899	1.3
70.04279	0.9
71.01376	3.2
72.99318	2.0
73.02942	0.6
75.00865	0.6
76.72536	0.5
83.01391	2.8
85.02962	1.5
87.00861	0.9
89.02448	3.0
99.00897	0.5
101.02452	2.5
109.02976	2.1
110.06116	0.5
110.54101	0.5
112.74377	0.5
113.02477	1.1
119.03516	1.6
120.99649	0.6
123.04448	0.5
125.02462	3.3
130.08749	0.8
137.02437	1.2
147.04626	0.5
151.00368	2.8
153.01945	31.5
154.02316	1.5
154.05110	0.5
154.08783	0.6
161.04617	0.9
165.01926	0.7
167.03474	0.7
172.09776	0.7
185.26663	0.5
199.09744	0.5
203.55267	0.5
216.09654	0.6
221.45006	0.5
229.93968	0.5
305.06647	2.7
315.07233	11.4
316.07605	1.1
319.13980	2.9
346.09406	1.1
378.12131	1.6
379.11758	0.8
379.16199	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	377.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41113	0.6
59.01389	3.9
61.98858	0.8
69.41941	5.8
71.01392	2.8
85.02969	1.3
86.78033	0.6
89.02441	1.0
93.03465	2.7
95.01423	0.9
95.05048	0.8
101.02427	1.4
101.13378	0.7
103.80176	0.7
113.02476	0.9
121.02965	8.2
122.03802	3.4
123.04524	1.2
132.02199	1.2
149.02452	100.0
150.03246	27.6
151.03526	1.1
155.10699	0.8
161.04558	2.4
164.04808	16.7
165.05583	27.4
166.06209	2.7
167.07155	5.5
180.04265	1.5
181.08647	1.5
195.06639	11.9
196.06949	1.1
211.53036	0.6
240.97586	0.6
268.29669	0.7
283.09882	3.2
285.11435	1.3
295.25290	0.7
314.11627	28.3
315.11887	4.0
329.13953	89.8
330.14325	14.3
360.19263	0.9
377.18069	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	377.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95786	7.4
59.01373	34.7
61.98821	7.2
69.41211	54.6
83.05046	8.4
90.24016	6.5
96.96025	20.4
117.03468	12.0
149.02405	8.9
193.12286	15.4
217.15948	7.2
225.15015	13.1
285.04022	9.6
287.20587	7.8
333.20795	10.7
341.23273	100.0
342.23721	17.2
377.15784	11.8
377.19748	49.0
377.23822	16.0
378.19708	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	377.1422
Annotation	Go 6976
Peak:m/z	Relative Intensity
52.60511	0.5
57.26944	0.6
59.01399	0.7
61.98827	2.1
70.29947	0.5
70.97382	1.0
95.01400	0.5
96.96001	0.7
99.92588	79.3
100.90495	1.1
100.92601	5.5
100.93395	1.8
115.92079	38.2
116.92862	100.0
117.92900	6.6
121.75265	0.5
184.32022	0.5
186.80444	0.5
201.10277	0.5
258.50070	0.5
277.21759	0.8
282.05524	0.6
290.06259	1.0
299.05960	0.9
308.07144	2.3
309.07742	1.0
333.15491	0.9
359.13159	1.1
371.09738	0.8
373.11240	3.7
374.11652	1.1
377.14258	45.5
378.14471	9.2
391.12378	4.1
392.12817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02863	1.0
57.03465	1.0
58.00595	1.8
59.01384	100.0
60.01725	2.1
60.91536	1.0
61.25680	1.0
61.98831	13.3
68.41117	1.3
70.57252	1.1
71.01387	36.5
71.62528	1.6
72.01714	2.0
72.99307	3.5
73.02959	3.6
74.99094	2.4
75.00876	2.6
83.01371	2.0
83.05031	2.3
85.02956	7.2
87.00881	4.2
89.02450	54.1
89.34421	1.3
90.02780	2.0
95.01360	2.7
99.00891	2.0
101.02446	20.0
109.02939	1.9
111.00876	1.6
113.02457	15.9
113.06081	1.2
114.02818	1.1
119.02663	1.6
119.03509	19.4
120.99673	6.6
121.54666	1.2
125.02457	3.5
131.03510	3.1
137.02469	2.3
138.05627	1.4
143.03520	3.1
149.04512	2.2
150.82323	1.3
153.01979	1.3
153.09282	1.2
161.04562	4.7
165.01866	2.5
167.03462	2.1
179.05643	8.6
188.84714	1.4
191.22714	1.1
215.09302	1.6
228.21336	1.2
257.11578	3.9
283.77469	1.2
341.10651	1.2
376.14786	4.6
377.08795	3.3
377.14133	5.0
385.43518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41919	0.7
59.01383	15.6
66.03494	1.2
67.01897	1.0
67.57544	0.6
69.29456	6.2
71.01390	8.6
72.99302	0.9
74.02481	4.1
83.01399	1.2
85.02956	2.6
87.00882	16.3
89.02443	7.1
95.16417	0.6
96.04542	1.1
101.02449	5.4
109.01700	7.6
110.02487	100.0
111.00886	16.6
111.02827	3.0
113.02457	2.6
113.91188	0.7
116.03483	0.9
116.05081	11.1
119.03504	2.4
123.03241	4.2
123.04599	0.7
124.04057	13.5
126.01988	0.9
142.06616	3.8
153.09081	0.8
154.01508	1.0
157.05367	0.9
157.07622	0.9
159.09320	0.9
160.04070	1.4
161.04752	2.5
179.05632	0.7
182.39217	0.7
183.05641	1.9
186.05513	1.0
197.11829	5.8
199.04007	0.9
203.08289	7.2
205.03773	2.3
207.09344	1.2
209.10832	8.8
210.11171	1.1
211.08821	1.0
214.06290	0.9
218.51207	0.7
235.08762	28.7
236.09125	3.0
245.09206	1.4
251.08305	1.8
253.09825	18.0
254.10188	2.1
258.26727	0.7
271.10895	0.8
297.08817	52.2
298.09164	6.5
341.07825	4.5
345.10934	1.9
359.09088	1.2
377.09631	2.3
377.18015	6.2
377.22156	1.2
378.18384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42174	0.8
57.03437	1.8
59.01372	3.8
61.98824	2.2
64.77718	0.7
65.91586	0.7
68.95975	0.6
70.80285	1.4
70.80621	0.8
71.01364	0.9
87.04536	0.9
89.02424	0.8
93.31488	0.9
96.96010	0.9
101.02409	0.9
125.09702	0.8
137.02487	0.8
139.11246	1.3
157.12408	1.2
165.01990	0.9
169.12424	0.7
177.05591	0.8
183.15591	1.0
185.11865	2.1
215.12807	1.1
287.21426	2.3
303.20883	1.5
315.24396	1.1
327.24615	2.5
329.23282	2.5
331.15442	1.2
339.24567	1.0
357.26279	3.9
373.25967	3.7
375.27338	100.0
376.27795	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	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
58.70122	0.7
59.01381	1.7
61.98826	0.9
63.90899	0.8
71.01382	5.4
71.53930	1.6
74.64705	0.8
85.02950	1.8
89.02441	2.3
89.95258	0.8
99.71115	0.7
101.02449	3.9
113.02404	2.2
138.48903	0.7
255.23293	100.0
256.23685	11.0
279.23352	1.5
375.25513	2.9
399.99423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47935	0.2
53.76044	0.2
57.03455	1.9
58.00584	0.5
59.01373	0.6
61.98851	0.3
63.08386	0.2
69.30006	2.5
73.02948	0.5
81.46841	0.2
87.04507	0.9
95.58191	0.2
96.08546	0.2
97.06591	0.7
105.01680	0.3
107.46740	0.2
109.06583	0.7
111.08184	0.3
113.09714	0.3
115.12994	0.2
123.08185	1.4
123.48997	0.2
125.09715	0.3
135.08145	0.5
137.09706	0.3
139.11334	1.1
141.09206	0.3
141.12862	0.6
153.09189	0.7
157.12325	2.2
169.12355	1.0
185.11838	3.3
215.12868	1.6
251.20132	0.5
293.21042	0.4
311.22382	0.4
325.23740	0.3
327.21750	0.5
327.25418	0.5
329.23355	3.4
330.23550	0.4
339.25452	0.7
357.26459	4.0
358.26785	0.4
373.25977	3.0
374.26202	0.3
375.27502	100.0
376.27829	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08185	0.7
66.16939	0.8
70.36865	2.7
74.99091	1.4
85.20059	0.8
90.67754	0.7
93.00146	1.3
149.00987	0.8
159.08453	10.5
160.08762	1.3
161.06398	3.8
209.01257	1.1
217.07225	1.8
256.12872	0.8
270.87296	0.8
275.06055	1.1
277.07559	1.9
289.07407	1.5
291.09103	96.7
292.09247	15.4
309.09985	1.1
357.13705	1.9
359.15356	100.0
360.15512	20.4
375.18393	7.1
376.18353	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	44.4
61.98847	3.5
69.03477	3.1
69.55807	17.9
71.09333	2.4
91.51466	2.4
95.05029	2.9
97.06624	3.4
99.92599	5.6
109.06606	2.6
116.92889	3.3
121.10221	26.0
123.08194	2.6
127.07446	2.3
152.98959	2.5
171.10284	70.5
172.10616	3.6
177.16533	3.3
207.09978	3.5
212.98398	2.7
231.21260	4.7
275.20151	100.0
276.20703	13.8
278.11307	12.3
293.21237	92.1
294.21481	10.1
315.19464	44.8
316.19678	5.2
329.17520	3.4
331.22809	4.1
337.23935	4.4
359.18478	10.1
375.21463	42.0
375.25464	4.7
376.21848	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	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97528	0.6
69.49401	0.5
71.01443	0.5
74.99078	1.9
83.28419	0.5
93.00138	1.2
127.43411	0.6
149.01003	0.8
159.08481	10.4
160.08664	0.8
161.06396	3.5
181.55434	0.5
209.01295	2.7
210.01254	0.6
217.07210	1.2
225.00774	0.6
241.14293	0.7
261.04330	0.9
275.06042	1.1
277.07584	2.4
289.07593	1.9
291.09113	94.7
292.09235	14.3
309.10135	1.1
357.13785	2.0
359.15353	100.0
360.15497	20.7
367.31186	0.7
375.18433	6.7
376.18777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.1
57.03451	4.1
58.00592	2.8
59.01381	90.0
59.09470	1.5
69.52030	4.3
69.52437	6.4
71.01384	53.5
72.99294	4.3
73.02951	14.0
83.01390	10.2
85.02946	21.7
87.00883	5.0
89.02445	37.3
95.01402	4.3
99.00889	5.7
101.02446	44.5
106.62024	1.9
113.02454	22.3
119.03512	24.9
125.02451	2.8
131.03464	1.9
135.98349	2.2
137.02406	2.8
143.03506	4.4
149.04582	1.7
153.09235	2.9
159.02960	2.7
161.04572	11.9
169.12408	2.0
177.09233	10.7
179.05606	6.8
191.25461	1.4
195.10281	2.0
213.11203	1.7
255.08904	4.1
294.11447	1.7
357.15564	29.8
358.16055	2.8
375.16599	100.0
376.16965	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04557	0.7
55.01883	1.9
57.03440	2.4
58.00617	1.6
59.01383	32.2
61.98826	7.0
69.03463	1.9
69.50935	5.8
71.01382	27.8
72.99305	2.2
73.02950	3.4
80.02701	0.9
82.23543	0.8
83.01384	2.7
84.02119	0.9
85.02959	8.5
87.00885	3.2
89.02446	20.3
93.19253	1.0
94.04224	1.0
95.01391	2.3
95.05039	6.8
96.40535	0.8
97.06587	2.5
98.03741	5.8
99.00857	2.3
101.02444	13.2
106.54303	0.8
107.05019	6.5
107.46777	0.8
110.39692	0.9
113.02456	10.3
113.09676	0.9
116.31007	0.8
119.03532	6.9
125.09768	1.3
135.08179	1.0
136.08914	0.8
149.09717	3.1
151.11288	83.9
152.11594	4.6
154.10004	2.3
161.04538	2.9
169.12346	14.8
177.09128	1.0
179.05626	1.8
190.83926	1.0
195.10257	100.0
196.10571	7.9
212.04785	2.0
222.61223	0.9
246.02097	0.9
375.27484	18.3
376.27640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88024	1.0
59.01381	100.0
61.98823	3.2
69.65614	4.9
71.01391	6.0
73.02958	2.7
74.99083	0.9
75.00848	1.0
87.00873	2.8
89.02442	2.3
90.25182	0.9
98.20638	1.0
99.00898	1.4
101.02444	13.0
107.05013	1.2
113.02448	2.8
117.05575	6.1
119.43469	1.0
120.02169	1.8
125.02410	1.6
136.04048	5.0
137.02414	1.8
138.03239	6.8
142.12408	1.0
149.02347	1.3
151.04024	1.2
153.01993	1.3
153.05573	62.3
154.05945	3.5
161.04578	3.0
165.01921	7.8
177.01782	1.3
179.03506	11.6
180.04297	6.9
194.05800	3.3
195.06645	18.1
196.07013	1.8
197.00946	1.5
209.74930	1.1
261.98779	1.0
289.45599	1.1
303.04904	1.1
360.06985	1.3
375.09088	1.2
375.13022	1.7
376.09540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
61.98827	2.5
70.93387	2.5
70.93712	1.9
70.96541	1.4
71.01380	3.4
81.03419	1.8
83.01376	1.6
89.02441	1.6
93.03448	3.8
95.05013	2.4
101.02448	2.2
109.02913	1.3
113.02496	1.6
113.33216	1.6
121.02949	14.5
122.03775	10.5
123.04536	2.7
125.02415	4.8
133.02985	2.6
135.04503	2.1
137.02443	7.0
138.03189	2.5
146.03769	8.3
147.04494	2.8
149.02441	100.0
150.03236	55.3
151.03639	3.0
161.06053	2.1
161.35532	1.5
164.04831	20.3
165.01929	3.9
165.05571	68.5
166.05881	4.9
167.03468	7.3
179.07060	8.2
180.04247	3.4
195.06624	26.6
238.35753	1.3
253.56236	1.3
269.07843	1.8
281.08353	1.3
283.09634	3.6
312.09998	26.5
313.10617	2.8
327.12378	76.0
328.12732	13.2
331.11615	1.5
357.13541	1.9
360.11685	2.7
375.14426	10.3
375.19333	1.4
376.04965	3.8
376.14734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	9.2
59.01380	100.0
61.98833	9.3
69.50970	38.2
71.01390	67.6
72.99316	5.8
73.02931	8.2
83.99078	4.8
85.02950	13.8
87.00870	9.7
89.02446	100.0
90.02788	4.7
95.01379	5.8
99.77190	4.4
101.02451	47.6
113.02457	27.8
113.03133	4.5
117.03475	13.5
117.05540	10.7
119.03501	40.7
121.02940	9.2
125.02444	5.4
131.03534	5.1
133.02977	4.7
145.02962	36.8
146.03654	6.5
147.04495	14.5
147.89954	4.5
149.02443	27.7
149.04524	6.2
150.03221	38.1
153.01891	8.0
161.02441	40.0
161.04486	8.1
162.03235	50.5
164.04779	15.0
165.05557	67.0
177.05577	27.1
179.05592	10.6
180.04279	21.7
195.06616	34.4
249.20346	5.3
301.58893	4.7
344.88474	4.9
357.11737	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	373.2231
Annotation	Myrsinionoside A
Peak:m/z	Relative Intensity
51.15961	0.8
57.03451	0.9
59.01369	2.5
61.98823	1.0
71.04987	0.7
83.05025	1.5
96.95988	0.9
97.06594	2.7
98.84202	0.9
123.08138	2.2
125.09727	16.6
127.11275	2.8
136.01608	1.0
137.09743	2.4
139.11354	1.2
149.02383	1.0
151.04018	1.3
153.09247	1.1
155.10786	29.6
156.11127	1.7
157.55696	0.8
164.04811	0.8
166.83444	0.7
171.10268	35.6
172.10637	2.2
173.11813	26.7
174.12125	1.3
187.09731	3.3
203.12881	1.6
217.10748	3.6
222.83804	0.9
281.99045	0.8
293.21268	2.5
329.21292	1.1
337.02747	0.8
355.21371	2.3
373.22324	100.0
374.22699	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	373.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31326	0.4
57.03455	2.9
59.01375	1.5
61.98835	0.4
69.03445	0.7
70.78226	1.0
70.78557	0.4
71.05008	0.3
72.40005	0.3
75.22842	0.4
83.05050	0.5
85.02945	1.0
87.04542	0.4
93.07104	0.4
97.06593	1.1
121.02957	0.7
125.09710	0.5
139.11301	1.1
149.09662	0.5
151.11235	0.6
183.13863	0.5
185.11830	5.6
186.12109	0.4
199.13387	0.5
221.19142	1.7
225.14926	0.5
251.38626	0.4
257.21237	0.5
265.18124	2.2
267.19440	0.5
283.19196	0.9
285.20718	14.0
286.21057	1.5
295.22699	0.4
297.24417	2.1
301.20203	3.6
302.20618	0.5
307.22864	0.5
311.22272	1.4
313.23877	4.7
314.24326	0.8
325.23853	11.8
326.24161	1.5
327.25244	0.6
337.23889	1.5
338.24136	0.5
341.23334	0.4
343.24924	1.1
355.24899	1.4
373.25967	100.0
374.26306	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	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.12827	0.5
57.03445	1.0
58.00578	0.6
59.01366	0.5
70.45043	1.3
71.05022	0.8
72.99319	0.4
73.02950	0.5
73.98003	0.4
82.77628	0.4
87.04502	1.3
97.06604	0.9
116.32569	0.4
121.10304	1.1
123.08198	0.7
125.09715	1.4
127.11284	0.7
137.09650	0.5
139.11305	1.0
141.12851	1.4
151.11220	0.6
157.12337	1.8
157.94725	0.4
169.12332	1.6
171.10304	0.9
185.11864	4.7
201.11330	0.6
209.04060	0.4
213.11436	0.5
215.12880	9.7
216.13295	1.0
307.22833	0.6
313.23911	1.4
325.23807	1.3
326.24222	0.5
341.23309	1.0
343.24878	9.6
344.25342	1.6
355.24872	3.0
356.25134	0.8
371.24503	1.5
373.25958	100.0
374.26279	15.4
386.18695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98842	0.4
69.34204	2.4
71.04998	0.3
96.11447	0.2
101.06084	1.0
105.66010	0.3
124.07703	0.6
127.07678	0.4
129.36383	0.2
165.10339	0.4
189.10379	0.4
197.80742	0.3
221.15567	0.2
232.10901	10.1
233.11165	1.0
235.47783	0.3
240.57233	0.3
283.57602	0.2
289.17896	1.8
290.18741	2.8
302.12180	0.2
316.16656	1.8
318.17825	0.3
358.21509	0.7
374.24460	100.0
375.24918	15.5
392.78864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30400	0.8
58.00591	1.8
59.01385	8.5
59.16679	0.7
61.98842	1.7
69.58375	5.4
71.01382	5.4
73.02991	1.6
74.99090	1.0
85.02969	1.6
87.00883	5.1
89.02454	1.9
93.03415	0.8
99.00867	0.7
101.02457	7.2
101.03035	1.2
108.51970	0.8
113.02462	2.1
117.03461	1.0
117.05566	1.4
121.02962	4.2
122.03706	1.7
123.04539	1.3
137.02449	1.9
138.03276	0.9
145.02980	2.8
146.03825	1.0
149.01236	1.8
149.02454	40.1
150.03235	47.2
151.03603	2.3
153.01949	2.5
153.05606	4.0
159.17836	1.0
161.02463	3.2
161.04596	4.1
162.03253	5.1
163.03978	1.7
164.04785	16.4
165.05576	100.0
166.05931	4.4
169.05048	0.9
177.02029	0.8
177.05582	2.8
180.04318	5.5
195.02950	1.1
195.06636	23.7
196.07008	2.2
213.07544	1.1
225.07697	1.1
264.75406	0.8
327.10818	3.7
354.28131	1.0
375.09418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
55.01875	3.8
57.03438	3.7
58.00591	6.7
59.01382	39.4
63.54353	0.8
69.03444	1.2
69.62950	0.8
69.63258	4.6
71.01385	39.1
72.01708	0.9
72.99304	4.3
73.02940	12.5
73.03332	0.9
74.03306	0.8
75.00886	1.6
83.01391	10.7
85.02954	20.6
86.00106	2.6
87.00878	4.2
89.02448	13.0
92.28468	0.7
95.01395	3.5
97.02940	1.6
98.20643	0.9
99.00893	5.8
101.02444	33.2
107.05075	0.8
111.00917	1.8
113.02448	13.8
119.03503	5.5
119.04973	0.9
120.99650	1.1
125.02452	3.3
131.03568	1.1
135.04555	1.2
137.02461	5.6
138.03241	1.6
146.06096	1.0
148.07794	0.7
150.03186	1.5
151.04005	2.3
153.01985	1.2
153.05591	1.1
154.00673	0.7
159.02982	1.6
161.04550	4.7
163.03969	4.5
164.04755	2.4
165.04329	0.9
165.05592	3.2
167.03514	1.7
167.05878	0.9
178.06403	1.7
181.05063	22.7
182.05722	1.3
193.08717	0.9
196.07397	26.4
196.09164	1.5
197.08028	2.8
203.99245	0.7
204.06656	2.0
209.15593	0.8
211.09753	48.1
212.05669	1.1
212.10052	4.7
225.07803	1.7
237.06487	1.2
271.14642	0.8
309.33331	0.8
329.15082	4.6
343.08118	0.9
355.12698	1.3
358.13165	5.9
373.14960	100.0
374.15390	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	373.1139
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.10904	0.6
55.01867	0.6
59.01096	1.0
59.01382	19.5
64.41254	0.6
69.48648	2.0
69.49077	2.5
71.01380	8.2
72.99307	1.0
73.02946	0.8
74.99067	0.6
75.00891	1.4
83.01388	0.9
85.02955	2.8
87.00881	3.9
89.02444	6.2
95.01382	0.7
99.00892	0.7
101.02438	4.2
107.04755	0.7
109.02948	1.0
113.02453	3.2
119.03494	2.2
123.00867	3.9
124.01645	1.1
125.02455	1.1
129.01927	0.7
136.98985	0.6
137.02444	2.9
137.05963	0.6
138.03256	6.5
139.00349	2.2
139.04027	6.8
151.04002	1.8
151.07663	1.2
152.01146	1.4
153.01987	3.7
153.05565	7.3
154.02692	2.6
163.00348	2.0
165.01927	6.1
166.02705	0.9
167.03441	1.1
168.00546	0.6
177.01823	0.8
178.02693	4.3
179.03476	3.8
179.07100	0.9
180.00644	29.5
180.04251	5.6
181.01424	8.6
181.05063	0.7
182.02292	3.3
183.02950	1.1
193.05064	6.2
194.02139	1.0
195.02986	54.9
196.03706	11.3
197.04524	5.1
209.04573	0.7
211.06107	17.4
212.06490	1.5
225.04082	3.5
275.33698	0.7
343.06683	1.3
358.09085	8.4
359.09570	0.8
373.11383	100.0
374.11703	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66043	0.5
55.00797	0.5
55.01848	0.7
56.68486	0.5
57.03448	0.5
58.00591	1.2
59.01383	23.0
68.52449	0.5
71.01391	11.5
71.38812	1.2
71.78947	0.5
72.52358	0.5
72.99302	1.0
73.02959	0.6
83.01397	0.8
85.02963	2.7
87.00857	0.9
89.02451	12.2
95.01392	1.7
101.02440	8.5
108.02175	10.5
111.00897	1.0
113.02444	3.6
119.03493	5.9
121.02930	0.6
122.03745	1.2
123.00874	4.2
123.04535	5.0
124.01729	3.6
125.02448	0.6
133.02943	0.7
136.01695	1.0
137.06081	2.1
148.01585	0.7
149.02444	3.2
150.03221	11.4
151.03703	0.8
165.01884	0.9
165.05577	2.3
165.17728	0.5
177.01978	3.0
178.02715	50.3
179.03079	2.5
179.05600	0.7
193.05060	100.0
194.05408	7.5
210.04085	0.7
294.54565	0.6
353.48480	0.6
353.56534	0.5
362.11652	0.6
373.07434	1.1
373.11386	6.8
373.14700	0.5
374.11749	1.0
385.82327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01397	13.0
61.98835	6.4
63.35875	2.3
67.53085	2.2
71.01399	12.8
72.99305	3.9
73.02946	4.2
74.25136	2.6
74.99092	12.9
79.09713	2.4
81.03459	3.7
85.02972	13.0
87.00883	10.2
93.03451	3.3
97.06621	3.2
99.04520	2.9
101.02457	8.3
103.06927	2.5
106.57545	2.4
107.55022	2.4
108.02180	28.1
109.02978	23.4
113.02449	4.0
120.99626	2.9
121.02976	11.3
123.00911	5.8
123.04536	30.1
136.01668	72.4
136.99135	9.9
137.02304	4.7
146.03697	6.3
147.04535	24.9
148.01677	5.4
149.02377	2.9
150.03198	9.5
151.00671	6.8
151.04030	100.0
151.05243	5.4
152.04311	7.4
158.03717	4.5
159.04520	12.7
160.05359	11.6
161.04645	3.7
161.06071	9.4
162.03223	5.0
163.03992	8.7
164.04759	6.0
165.05611	3.9
175.03944	17.9
175.07654	8.2
176.04796	31.8
177.05565	7.7
187.04068	4.6
187.87807	2.8
188.04808	5.5
191.07169	41.6
192.07561	3.5
198.34288	2.5
203.07121	6.4
203.14436	8.8
219.06554	6.6
221.08243	17.7
249.07727	3.8
257.17593	7.1
267.06653	5.1
268.07510	3.2
278.05719	3.4
282.08984	2.9
283.09723	5.3
284.10431	10.3
285.15399	4.1
295.06015	6.8
297.11417	8.5
298.08432	4.2
298.11856	2.3
299.12888	4.0
310.08447	7.8
313.10858	11.8
325.10745	19.6
327.12244	3.8
329.13895	18.8
343.11578	5.2
364.39682	3.1
373.12488	20.0
373.17496	15.6
373.26025	36.3
374.12875	3.1
374.26480	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	372.1455
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
54.83079	0.5
57.03448	0.7
59.01384	1.2
69.61236	3.9
70.04810	0.5
71.01373	0.9
73.02951	0.6
75.54143	0.6
93.03465	10.9
94.02969	1.4
95.04978	0.7
107.05022	1.3
108.04578	1.2
109.02948	1.8
117.03486	0.9
119.05040	3.1
120.04574	1.8
120.61250	0.6
121.02952	7.6
123.04536	1.2
124.01658	0.8
131.23537	0.6
133.02943	1.2
134.03737	1.4
135.04524	2.9
136.04076	3.4
137.02472	1.2
139.04044	1.1
145.02945	4.1
147.03329	0.7
148.04076	3.5
148.05072	0.6
149.02513	3.0
149.04784	1.7
149.06007	0.8
150.03226	7.0
150.05641	0.9
151.03999	2.6
155.59326	0.7
161.02431	1.5
162.03258	1.6
162.05634	1.2
163.02847	1.6
163.04018	37.8
164.03397	4.7
164.04691	2.7
165.05595	9.4
175.02644	1.0
176.03542	1.6
177.01944	2.1
177.04228	0.7
177.05592	3.4
178.06366	45.7
179.06767	3.7
190.05099	0.9
191.02121	1.4
192.03030	9.8
192.07941	1.5
193.03809	15.5
194.04239	0.9
202.05217	0.6
204.03131	0.8
205.03766	5.0
206.04607	10.8
207.05278	2.3
208.06152	26.1
209.06538	1.1
220.06163	10.3
221.06551	1.3
222.07790	0.9
244.09903	0.7
299.08133	1.0
313.10870	0.7
314.10394	1.0
342.09814	21.6
343.10214	2.2
343.25031	0.7
356.11505	2.9
357.12189	42.4
358.12497	6.0
371.24152	0.8
372.14532	100.0
372.24460	7.9
373.14865	15.6
373.25943	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	371.3165
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
52.26840	0.6
57.71363	0.5
59.01378	3.2
86.53238	0.5
89.79170	0.6
104.44450	0.5
165.01434	0.5
219.67694	0.6
227.02437	0.5
239.22040	0.5
268.61008	0.6
285.61108	0.5
295.30084	2.0
335.29547	0.9
353.30582	9.3
354.30624	0.9
369.29993	4.8
370.30051	0.7
371.31635	100.0
372.32007	16.0
372.36169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85155	1.5
53.34459	2.0
53.92347	1.5
68.99577	24.9
69.62138	12.5
93.03472	2.6
93.78082	1.8
101.03976	5.3
108.99093	2.6
117.03470	4.1
121.04594	31.4
126.06963	1.8
135.04532	14.1
137.04108	9.7
141.05214	32.5
142.05582	2.4
145.02972	1.9
153.05566	10.7
154.58142	1.7
154.88118	1.5
165.03583	11.0
172.26001	1.8
185.04158	6.8
186.57890	1.9
190.02469	3.1
205.04811	100.0
206.05161	7.0
241.02489	37.1
242.02965	2.0
261.26587	1.8
291.23529	1.8
309.07440	10.7
336.08585	3.7
345.05063	14.5
371.31720	4.3
373.23938	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	372.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01378	6.3
61.98825	0.9
69.03415	0.5
70.93602	0.5
71.01375	2.7
76.16521	0.5
83.01371	0.8
85.02945	1.4
86.03262	0.8
89.02412	1.0
93.03444	8.5
94.02995	1.2
95.04984	0.5
98.19837	1.9
101.02451	1.2
105.03416	0.7
107.01356	0.8
107.04997	1.3
108.04524	1.3
109.02927	2.0
117.03436	1.3
119.05010	2.5
120.04533	1.5
121.02949	7.3
123.04499	1.8
124.01653	0.8
125.02436	1.5
133.02881	0.7
134.03720	1.0
135.00804	0.8
135.04498	1.8
136.04019	2.6
137.02397	0.9
139.03993	1.1
145.02933	3.2
146.02458	0.7
147.00854	1.1
148.04076	3.5
149.02457	3.7
149.04761	1.8
149.06046	1.3
150.03229	7.4
150.05569	0.7
151.00378	1.4
151.03941	2.5
152.00841	0.6
161.02386	1.3
162.03165	1.3
162.05554	0.8
163.04002	33.7
163.06200	1.4
164.03464	4.2
164.04694	2.2
164.07027	0.7
165.05559	9.2
166.02762	4.2
166.05945	0.8
167.03122	4.4
168.03809	0.9
175.02686	0.7
176.03511	1.4
177.01868	1.4
177.04143	0.9
177.05522	1.9
178.06351	43.0
179.03441	0.7
179.06801	3.3
183.03052	0.7
187.52237	0.6
191.02124	1.6
191.03642	0.8
192.01421	0.9
192.03041	9.8
192.07903	1.7
193.03786	15.7
194.04085	1.1
195.13799	0.9
196.14278	0.8
205.03786	5.4
206.04575	9.3
207.05171	2.4
208.06157	22.2
209.06438	2.0
220.06142	7.7
222.07713	1.1
234.07735	0.7
299.08698	0.6
313.10733	1.1
314.10464	0.8
325.13474	0.5
325.29858	0.6
327.08362	0.8
342.09818	18.5
343.10059	1.3
355.11148	0.7
356.11282	2.9
357.12164	39.3
358.12787	4.5
372.14377	100.0
373.14807	13.1
390.98401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45724	0.5
57.03448	1.3
59.01385	4.0
61.98823	0.8
69.83238	2.3
71.01383	1.2
71.05022	1.0
73.02938	1.4
75.00863	1.1
83.05025	0.8
85.06584	0.5
86.15794	0.4
87.04522	1.0
90.22411	0.5
95.05064	0.5
97.06595	2.1
98.19904	0.7
101.02462	0.7
121.02956	0.6
123.08149	0.8
125.09718	1.7
130.97064	0.6
137.09715	0.9
139.11298	2.7
147.74731	0.5
157.12334	1.5
171.10246	1.1
185.11823	12.6
186.12173	1.0
199.13547	0.5
213.11252	0.9
214.12149	1.7
215.12900	1.3
219.47217	0.5
232.92305	1.0
241.14468	1.6
243.15990	2.1
249.18777	0.6
311.22327	1.2
327.21542	0.7
341.23404	5.3
342.23615	1.2
353.23346	1.6
369.22961	0.5
370.99210	2.0
371.24387	100.0
372.24759	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	371.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52586	1.0
59.01389	37.0
60.01028	1.1
60.41388	1.0
61.98807	1.3
67.68909	1.1
71.01398	1.3
71.63390	1.5
73.98836	1.2
75.00877	3.5
78.95893	1.1
181.43095	1.1
191.10849	1.9
216.57042	1.2
235.09669	1.4
265.25403	1.3
267.27023	1.2
271.22791	1.6
291.26855	5.6
293.24774	1.5
309.28030	34.9
310.28333	4.8
311.25946	79.9
312.26294	9.7
313.23535	1.5
327.12094	1.5
353.26950	13.4
354.27319	1.9
371.28049	100.0
372.28473	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	371.1711
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
55.01884	2.5
57.03447	11.4
58.00584	1.4
59.01382	22.8
61.98843	0.4
69.03458	1.6
70.83487	0.4
71.01384	25.9
71.62583	0.9
72.99304	1.2
73.02950	6.3
79.01917	0.6
83.01393	4.6
84.16103	0.5
85.02953	12.4
86.00117	0.7
87.00895	0.6
87.21027	0.4
89.01910	1.0
89.02448	13.4
89.02994	0.9
93.11129	0.5
93.16588	0.5
95.01420	0.6
97.02926	0.6
99.00858	1.7
101.02460	3.2
102.98586	1.1
107.01373	1.5
109.06590	1.0
113.02435	1.6
121.06585	0.5
122.22681	0.4
123.08147	4.2
125.02437	1.8
131.03502	1.2
134.05170	0.4
135.00871	1.3
147.86017	0.5
149.04543	1.2
151.00397	0.8
151.11307	2.3
161.09738	0.7
166.02719	5.1
167.03453	1.8
168.72234	0.4
177.12851	6.0
178.06233	0.5
178.11572	0.5
178.13123	0.9
195.13899	19.9
196.14191	1.2
221.11798	6.1
222.12047	0.8
239.12985	0.6
285.03928	0.5
285.51068	0.4
293.14554	0.5
297.03940	2.0
298.04941	3.3
299.05243	0.6
309.03973	1.4
310.04797	0.4
341.10321	0.9
353.06735	0.8
356.12549	0.6
357.12521	0.7
371.07623	8.5
371.17105	100.0
372.07898	0.8
372.17630	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	371.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.5
57.03453	5.9
57.59713	0.6
58.00595	2.1
59.01384	37.4
60.01759	0.8
61.98829	1.4
63.05719	0.6
67.01910	0.6
69.03455	1.5
70.54105	0.6
71.01387	100.0
71.63296	0.6
72.01724	2.2
72.99300	3.3
73.02952	33.0
75.00880	2.0
81.03482	0.8
83.01395	15.6
84.57375	0.6
85.02957	46.8
86.00136	1.1
86.03294	0.7
87.00894	3.5
87.04546	0.7
89.02444	8.0
95.01395	6.2
97.02971	2.7
99.00888	14.4
100.67841	0.6
101.02451	74.2
102.02795	1.7
111.00934	1.1
113.02454	37.2
114.02806	1.3
118.73500	0.7
119.03512	1.6
125.02428	2.7
127.65220	0.6
129.01958	1.9
132.02162	2.4
138.82709	0.7
143.03510	5.2
159.02989	10.3
160.01694	6.7
161.04561	37.2
162.04936	1.2
166.06401	0.9
181.08682	1.1
197.06128	1.3
197.12039	0.6
205.03606	2.1
209.15428	1.2
211.04048	2.4
226.06410	1.0
226.10036	0.8
239.03581	0.8
242.09450	10.2
243.09967	1.0
243.57805	0.6
245.08237	1.9
246.08934	4.3
251.07176	0.8
251.16467	0.9
254.09508	1.0
257.11823	5.4
258.12085	1.5
264.07864	0.9
269.08325	1.0
269.11826	1.3
270.08981	11.2
271.09341	0.8
281.04590	3.6
281.07855	0.7
282.04993	0.8
282.08963	4.6
283.09705	1.5
285.08081	1.2
285.11310	11.7
286.11646	1.3
295.09836	2.0
297.07733	1.5
298.08459	8.0
299.08942	1.7
302.08185	0.8
309.07748	2.1
310.08426	5.3
311.09189	4.4
312.09900	1.3
313.10721	5.2
314.11261	1.1
323.09280	2.1
324.10193	3.1
325.10721	8.0
326.07993	10.2
326.11624	4.5
339.12329	3.5
340.09366	0.9
340.12894	4.1
341.10297	54.2
341.13528	3.1
342.10675	7.8
355.12082	1.7
356.12650	34.7
357.12943	5.9
371.15103	46.3
371.20721	8.5
371.24670	4.1
372.15390	7.9
372.20975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11887	0.5
55.01878	8.3
57.03448	9.5
58.00599	3.3
59.01379	61.5
60.01712	1.1
61.98818	1.0
69.03466	1.4
71.01382	100.0
71.62767	1.1
71.76811	0.5
72.01721	1.3
72.99306	4.6
73.02947	30.4
75.00875	1.6
81.03470	1.1
83.01389	17.4
84.01707	0.7
85.02952	48.5
86.00115	0.8
86.03278	1.4
87.00877	4.7
87.04488	0.7
89.02444	28.0
93.32497	0.5
95.01402	6.9
97.02966	2.1
99.00884	14.5
101.02441	81.1
102.02753	2.8
107.05071	0.6
109.02921	0.7
111.00885	1.5
112.35415	0.6
113.02447	44.3
114.02795	0.8
119.03495	9.9
120.99630	2.1
121.02929	1.2
123.08076	0.6
125.02449	2.4
129.01932	2.5
130.08737	1.1
131.03494	2.0
137.02426	1.4
137.09708	2.0
138.03117	0.6
143.03511	5.0
149.09677	0.9
159.03003	10.9
159.04413	1.6
161.04555	53.1
162.04936	2.0
173.06041	1.9
174.03119	1.0
174.06941	0.7
175.03978	2.5
176.04716	0.9
177.05582	1.4
179.05574	1.0
187.03996	2.8
189.02020	0.7
190.06404	0.6
191.07127	1.0
202.06361	0.8
204.04265	0.8
205.03450	1.0
205.05051	3.7
205.08667	0.7
209.15465	11.6
210.15831	1.1
215.73810	0.6
219.06573	0.8
220.07309	4.0
221.07831	0.6
235.09671	4.4
239.07257	0.8
256.20044	0.8
283.09686	1.1
311.09238	5.0
312.09631	0.7
326.11612	2.1
341.10153	1.1
341.13889	2.0
342.20697	0.6
345.90833	0.6
356.12515	1.6
371.15094	7.0
371.20667	40.1
372.15747	1.2
372.21048	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	371.2439
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
57.03443	0.8
58.00574	0.3
59.01373	0.8
61.98822	0.2
69.03458	0.2
71.01388	0.2
71.02470	0.2
71.05013	0.5
73.02945	1.3
74.80264	0.2
75.00845	0.3
79.05489	0.2
80.37229	0.2
83.05022	0.4
85.02959	0.4
85.06583	0.2
87.04504	0.6
95.05070	0.3
97.06583	1.5
98.19882	0.3
99.08173	0.2
101.06104	0.3
109.06544	0.2
113.06090	0.3
123.08170	1.5
125.09721	3.2
127.11296	0.5
137.09721	0.8
139.07677	0.2
139.11269	1.5
139.24493	0.2
141.09213	0.5
141.12799	0.9
143.10815	0.5
149.09683	0.2
151.11264	0.5
153.09183	0.7
155.10805	0.5
157.12340	0.5
163.11250	0.2
169.12320	0.5
171.10271	8.2
172.10614	0.4
185.11823	5.6
186.12141	0.2
197.11758	0.3
197.63466	0.2
200.10474	0.3
201.11299	0.2
208.25966	0.2
209.05916	0.2
213.11371	0.5
214.12073	1.2
215.12842	1.2
227.12837	0.4
228.13689	0.8
243.16039	1.3
265.18082	0.4
291.08649	0.2
305.20920	0.3
311.22171	0.9
317.21158	0.2
323.22391	0.5
335.22333	0.4
339.21826	0.2
341.23306	6.7
342.23584	0.8
345.67560	0.2
353.23239	1.4
369.22672	0.9
371.24368	100.0
372.24698	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	371.135
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
50.78989	0.3
57.03454	1.0
59.01380	1.7
65.00333	0.7
71.01389	0.8
71.40152	0.5
72.55694	0.3
73.02932	0.3
74.99091	0.3
81.03469	5.1
83.01405	1.4
85.02948	0.4
89.02464	0.3
93.03437	0.5
94.84498	0.3
95.05057	0.5
97.06633	0.3
99.08147	0.4
101.02451	0.6
101.06097	0.4
107.01420	0.6
121.03014	0.6
122.03752	2.3
123.04525	0.4
123.08173	2.3
124.01762	0.3
125.02452	7.4
125.06091	4.2
126.02747	0.3
131.25949	0.2
132.23689	0.3
139.07455	0.3
141.09238	0.3
149.02504	1.5
149.70241	0.3
151.00368	1.5
151.04042	0.3
154.02695	0.3
160.01619	0.4
163.04105	1.4
164.03621	0.5
165.09215	27.7
166.09564	2.2
178.06372	1.9
190.02869	0.3
191.07222	1.3
192.03001	0.6
193.03873	0.8
206.04546	0.5
208.06113	1.4
209.08199	100.0
210.08549	8.6
220.06166	0.3
233.08141	0.6
241.45522	0.3
242.09515	0.6
246.09047	0.4
251.09322	0.7
264.04919	0.3
265.18170	0.3
270.09052	0.6
281.04816	0.3
285.11395	0.8
298.08414	0.6
311.09274	0.3
313.10739	0.5
325.10867	0.8
326.07901	0.4
341.10284	3.6
342.10248	1.3
356.12698	3.3
357.12283	2.1
371.15070	2.5
371.24509	3.3
372.14597	5.7
372.24768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
51.40142	0.7
57.03445	0.9
59.01374	2.5
67.01892	13.8
68.99806	0.9
69.52325	2.1
69.52750	2.7
81.03436	1.7
83.01393	1.7
85.55450	0.6
93.03483	0.7
94.69939	0.6
95.01397	9.7
107.01399	4.5
107.02016	0.7
108.02178	2.5
109.02956	3.3
110.00116	1.8
111.00889	8.7
112.98793	1.1
119.05026	0.9
123.00890	100.0
124.01170	3.9
125.02452	2.8
134.03731	5.9
135.04582	4.2
137.02348	1.0
138.03230	62.7
139.00366	0.9
139.03580	3.6
149.06087	1.5
161.02460	1.7
162.03232	39.8
163.04021	31.8
164.04550	2.5
177.05577	39.9
178.06351	23.7
179.07097	3.1
188.45338	0.8
193.08696	17.2
194.09027	1.6
199.13408	1.1
330.11365	0.7
333.20639	0.7
335.22363	0.9
352.57623	0.8
356.12579	0.6
356.19580	0.6
371.14841	19.8
371.22546	2.6
372.15274	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	371.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60423	0.9
59.01386	3.7
61.98834	3.0
64.72189	0.9
65.43128	0.8
69.91190	4.4
71.04989	1.0
75.00865	1.2
84.46308	1.1
84.47803	1.1
98.19865	1.6
99.18110	1.0
115.92120	2.6
116.00005	1.1
123.00877	1.2
133.06609	4.3
137.02455	3.9
138.03259	2.1
151.04089	1.5
151.38086	1.1
152.04808	1.6
153.05603	2.0
161.06097	57.1
162.06888	43.3
162.08934	1.1
163.07260	3.3
164.04810	2.3
165.01945	6.0
176.04837	7.9
176.08385	6.3
177.05516	2.0
177.09154	3.4
179.03526	2.1
180.04311	3.0
190.06372	18.0
191.06805	1.1
194.05838	9.4
195.06598	3.5
203.07146	1.0
204.07907	3.8
205.08701	100.0
206.09059	9.3
208.07466	12.4
217.08670	1.6
252.07838	1.4
297.07556	1.4
311.09485	1.1
312.09970	1.7
323.09277	3.0
327.12354	2.1
335.18564	1.1
341.10406	2.0
343.15543	4.4
353.13885	1.4
356.12619	1.1
358.26489	1.1
371.10611	1.0
371.14929	13.1
371.19897	2.6
371.24649	7.8
372.15237	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	369.3374
Annotation	23-Hydroxytricosanoic acid
Peak:m/z	Relative Intensity
69.73012	6.6
72.45444	1.0
182.79599	1.2
217.06027	0.9
281.24963	1.2
323.33298	3.0
351.32782	1.3
369.33701	100.0
370.34042	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	370.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01382	11.4
61.98829	32.4
71.01386	21.9
71.16541	2.2
73.02949	8.7
74.01514	1.1
78.60310	1.1
83.01397	4.0
85.02946	10.6
87.00893	8.9
89.02437	2.9
93.03446	2.1
95.01382	2.1
99.00871	2.8
99.22675	1.3
101.02451	10.8
106.04253	10.9
107.05030	89.0
108.02176	4.1
108.05354	4.2
113.02418	7.2
119.05035	1.2
121.02954	4.3
125.02435	3.7
136.01622	2.2
136.07681	56.6
137.02455	4.9
137.08087	3.1
138.03230	1.4
146.02484	2.9
147.04457	1.6
148.99274	1.4
149.06061	2.1
151.03993	3.9
153.05528	1.4
161.04541	4.2
164.07166	100.0
165.01913	2.5
165.07581	6.3
179.03511	2.0
188.04771	1.4
193.05069	1.4
208.06142	97.6
209.04715	1.6
209.06387	6.9
234.62666	1.3
235.06116	3.4
265.07144	3.4
339.42853	1.2
370.11465	85.4
371.09595	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	370.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95075	0.4
59.01377	4.1
60.61175	0.3
60.86225	0.4
61.98826	2.3
69.97464	1.8
71.01386	2.8
72.99326	0.5
73.02937	0.4
73.27159	0.3
73.37450	0.3
83.01373	0.5
84.39885	0.3
85.02946	1.2
87.00861	0.7
89.02451	2.3
95.01402	0.5
99.00841	0.4
101.02464	2.1
109.02962	0.4
109.12357	0.4
113.02457	1.2
119.03533	0.7
119.05073	0.5
122.03751	0.4
125.02448	2.6
131.77864	0.4
146.02414	0.7
147.03262	14.7
147.04437	0.8
148.03664	0.6
149.02446	0.7
163.00357	1.2
163.04047	1.0
164.07297	0.4
175.02742	100.0
176.03099	6.0
179.03459	1.3
190.05093	76.2
191.03625	0.5
191.05447	4.9
193.03728	1.6
193.05087	1.6
194.05733	0.8
207.76498	0.3
208.06055	2.8
209.08186	2.3
272.00372	0.4
289.07065	0.7
370.11447	21.8
371.11765	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97343	6.9
58.32482	8.3
59.01371	29.7
61.98832	100.0
70.93025	18.6
71.01395	8.3
72.99287	12.5
75.00894	8.7
81.06403	7.6
88.98798	6.8
97.41233	7.1
102.06419	8.5
121.02966	79.4
125.09695	12.8
174.60657	7.5
179.03520	8.7
212.90306	9.3
226.58417	8.9
276.21884	7.2
285.20807	17.1
309.18341	8.9
310.08493	9.4
370.23184	33.3
371.24191	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	371.0983
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.21940	0.7
53.46597	0.8
57.03442	1.1
59.01377	8.8
61.98834	10.8
62.51123	0.8
68.99816	1.7
70.00806	3.7
71.01382	20.1
72.99297	1.0
73.02953	13.7
75.00871	1.4
78.95908	0.8
83.01393	1.0
85.02958	8.3
87.00880	63.8
88.01194	1.2
89.02446	2.3
93.03436	1.2
95.01384	1.5
97.02922	2.1
98.02446	0.9
99.00853	0.9
101.02442	4.7
101.40076	0.9
107.05063	1.6
108.02179	1.9
109.02953	2.6
110.02486	1.8
113.02422	2.2
115.00316	0.8
119.05012	0.9
121.02957	1.9
122.03737	1.5
125.02415	2.0
127.03994	1.2
130.04192	0.8
131.03493	2.9
134.03804	1.8
135.04494	1.1
136.01662	23.2
136.07687	1.2
146.03691	2.5
147.03249	1.0
147.04533	1.3
148.04041	1.8
148.05229	1.7
149.02512	1.1
149.06055	2.5
151.04012	24.2
152.01152	0.9
152.04318	1.4
157.26428	0.8
161.02409	1.1
161.06021	1.6
162.03148	2.3
163.04015	1.5
164.04704	2.4
164.07161	0.8
165.01926	3.0
165.05511	0.9
165.07501	1.4
166.05099	1.1
172.05392	0.8
175.04019	1.4
176.04785	1.4
177.05580	1.3
179.03517	1.3
179.07158	3.6
188.04843	1.0
192.04201	1.1
204.04250	2.4
207.06590	2.2
208.06041	1.4
209.03221	1.5
216.04362	1.1
219.06602	2.7
233.82596	1.0
235.06082	2.1
247.05971	1.4
249.07588	1.0
265.07120	1.5
327.10818	1.4
371.09802	100.0
372.10034	15.9
374.96921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01869	1.6
57.00357	0.7
57.03440	1.8
58.00597	4.1
59.01380	100.0
60.01739	1.2
71.01382	51.5
71.25265	0.8
71.62627	0.9
72.99313	3.9
73.02943	1.8
83.01396	3.2
84.02139	0.9
85.02950	12.3
87.00877	2.7
89.02441	65.5
90.02814	1.4
91.05525	1.1
95.01397	3.8
99.00870	1.5
101.02446	36.2
102.02710	0.9
113.02446	19.4
113.03231	1.2
119.03500	30.6
125.02441	1.2
131.03519	1.8
138.09224	2.4
143.03522	3.1
147.08214	0.9
149.04561	2.4
149.05988	1.1
161.04527	2.2
164.58134	1.0
179.05600	2.8
191.07059	1.3
205.03992	0.8
209.08229	1.5
278.59485	0.9
294.58862	0.9
371.13431	99.5
372.13651	12.8
372.21289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36926	1.1
55.01890	8.6
57.03451	7.2
58.00603	2.8
59.01385	63.5
61.98837	24.6
69.03453	1.6
70.79021	2.5
71.01387	76.1
72.26170	1.3
72.99325	5.6
73.02953	26.5
75.00875	7.5
78.95929	1.6
83.01392	17.5
85.02960	32.1
87.00899	5.4
89.02449	26.0
89.12952	1.2
95.01393	3.9
97.02950	3.5
99.00900	9.3
101.02450	100.0
102.02773	1.9
107.05033	1.6
111.13314	1.1
112.04051	4.4
113.01678	2.6
113.02456	32.7
115.00378	6.2
119.03529	7.7
125.02448	3.1
131.03502	1.7
136.04044	2.4
143.03505	4.6
145.01471	2.7
148.99149	3.4
149.70798	1.3
159.03001	4.6
161.04575	24.6
164.07147	6.7
176.07227	1.7
179.05611	3.3
190.08778	3.7
206.04414	1.4
207.08759	63.1
208.06198	2.3
208.09064	2.3
214.39764	1.2
234.11250	1.3
237.09813	9.2
253.22156	1.1
258.57791	1.1
309.68127	1.1
326.12607	2.2
369.14063	34.0
370.11356	3.6
370.15164	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	369.2199
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
54.68497	0.2
61.39198	0.2
64.60448	0.2
65.52566	0.2
70.05824	1.0
72.62836	0.2
78.95908	100.0
95.96178	1.1
96.96968	32.9
98.19939	0.3
98.91566	0.3
111.01331	0.2
140.51329	0.2
168.45329	0.3
171.05167	0.2
238.82547	0.3
246.22487	0.2
362.83929	0.3
369.21994	11.9
370.22260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3009
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.03443	0.6
59.01359	0.3
70.48612	0.9
71.05022	0.3
82.97653	0.2
105.67027	0.3
138.99034	0.3
139.27745	0.3
140.68459	0.2
154.92645	0.3
169.79614	0.3
175.00475	0.2
184.28030	0.3
186.28735	0.3
212.05847	0.3
214.29831	0.3
222.06113	0.2
244.86142	0.3
279.26904	0.6
292.58710	0.3
305.28494	1.0
307.30048	67.8
308.30389	10.4
323.29578	0.3
325.31116	1.9
351.29025	18.6
352.29352	3.3
369.30063	100.0
370.30414	18.0
380.40466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01383	100.0
60.01723	1.2
61.98863	0.7
67.02943	0.4
68.05595	0.5
69.84853	1.1
69.85262	1.7
71.01386	3.8
72.99342	0.5
73.02962	1.5
75.00896	0.6
83.01405	0.6
85.02956	2.5
87.00922	0.5
89.02461	1.5
99.00905	0.7
101.02456	4.6
102.02068	0.5
108.22110	0.5
111.00883	0.5
113.02494	1.4
142.06671	2.0
143.06964	3.1
144.49782	0.5
161.04602	2.7
161.05914	0.5
186.05704	1.5
187.06030	1.8
205.05251	0.7
205.07057	1.4
307.17688	9.1
308.18060	1.5
362.04309	0.5
367.12253	3.9
368.12753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73733	1.6
59.01379	4.5
61.98804	1.4
63.23993	1.3
72.44447	1.6
80.39556	1.6
85.02918	1.7
94.68092	1.3
98.20660	2.7
99.00900	1.5
134.41821	1.6
277.21725	100.0
278.22153	13.7
337.56201	1.5
367.28629	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
52.55267	0.4
59.01369	0.6
64.68739	0.5
71.53452	0.8
75.96340	0.4
84.00072	0.5
126.42318	0.4
127.74675	0.4
133.06577	2.4
149.09717	86.9
150.10074	5.7
180.91771	0.4
205.15964	86.5
206.16292	9.2
270.39539	0.4
367.26401	100.0
368.26752	16.9
368.31519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12874	0.8
69.92767	4.8
73.40013	0.8
83.45737	0.7
84.13222	0.8
96.63367	0.8
98.20592	1.0
159.56546	0.8
175.43523	0.9
206.75766	0.7
209.90604	0.8
273.19220	0.8
307.30038	1.0
322.24310	0.9
323.33041	1.5
367.32169	100.0
368.27908	1.1
368.32486	17.5
382.88452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17340	0.5
55.86426	0.5
60.27746	0.4
61.98830	100.0
69.90537	1.0
69.90937	1.2
71.46013	0.5
73.36747	0.5
80.67175	0.5
90.86553	0.5
103.63909	0.5
114.76274	0.5
125.02458	2.1
167.03577	0.6
181.82532	0.6
305.06833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92651	0.4
59.01373	1.4
61.98832	100.0
70.34381	1.8
71.01382	0.9
81.59848	0.5
84.67293	0.4
85.02972	0.9
88.58323	0.6
101.02482	0.8
102.02805	0.6
109.02908	0.6
109.36594	0.5
125.02480	2.6
134.84070	0.5
137.02455	0.7
153.43953	0.4
161.02376	0.8
167.03497	0.6
187.21609	0.4
216.11046	0.6
261.07660	0.4
305.06708	2.9
369.08002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42765	1.4
59.01379	10.4
61.98837	36.8
66.03478	1.9
67.29250	1.2
69.03457	1.4
69.57383	10.2
71.01380	10.0
72.00911	19.6
72.03710	1.2
72.99318	1.9
73.02956	9.7
75.00864	2.9
83.01400	2.5
85.02971	6.3
87.00880	2.3
89.02448	4.7
98.20544	2.7
99.00872	2.1
101.02471	9.5
107.05045	4.3
109.02966	1.6
112.92261	1.4
113.02418	2.8
115.00372	2.9
116.05093	6.4
119.03519	2.8
125.02452	3.2
128.05057	1.6
130.06599	2.2
131.03770	8.2
136.07671	2.2
142.06631	24.7
143.07019	2.3
144.04562	21.0
145.05270	4.1
146.06108	10.2
148.99138	1.3
150.05591	1.3
158.06114	35.2
159.06456	3.2
160.04094	2.1
161.04558	2.1
162.05623	4.4
164.07161	5.4
167.06229	4.4
168.04536	4.4
169.07718	100.0
170.06136	16.0
170.08057	6.9
172.04105	1.7
172.07658	3.1
174.05641	1.9
181.07726	18.1
182.08090	1.7
184.04024	2.6
185.04846	10.9
186.05258	1.5
188.07181	8.6
190.05045	4.9
199.08780	73.0
200.07219	2.9
200.09119	4.1
202.05128	17.2
203.02275	1.5
206.04440	30.5
207.04953	1.7
208.06158	3.5
209.06958	2.2
211.08783	4.6
213.06743	1.9
217.09821	3.2
218.08153	1.9
231.07701	2.0
237.09798	2.3
243.07765	5.5
249.08820	5.2
261.08865	3.2
279.09866	3.8
309.11560	1.5
352.10391	2.4
369.10065	8.9
370.11359	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	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37198	0.6
55.01877	4.8
57.03447	2.9
58.00592	2.3
59.01382	49.0
60.01713	0.9
61.34376	0.7
61.98822	2.4
64.12504	0.7
68.99300	0.7
69.03464	1.2
70.18004	1.3
70.18395	1.6
70.36674	0.6
71.01389	55.5
72.01707	0.9
72.99313	3.9
73.02951	21.8
81.03423	0.9
83.01389	12.0
85.02955	25.3
86.00105	1.2
87.00879	2.5
89.02454	22.3
89.74907	0.7
95.01389	3.5
97.02962	1.4
98.20560	0.8
99.00890	7.9
101.02449	59.1
102.02783	1.0
111.00897	4.4
113.02453	19.8
115.04063	0.8
119.03501	2.2
125.02443	2.5
129.01939	1.6
131.03510	14.9
143.03516	2.8
149.04546	3.4
159.03000	3.0
161.04565	18.4
162.04742	1.1
191.35773	0.7
192.64172	0.7
202.28387	0.7
205.03545	1.1
233.06635	2.5
235.11868	100.0
236.12210	6.3
247.81917	0.8
279.10779	1.5
367.16092	46.2
368.16467	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26792	0.4
55.01883	3.6
57.03452	3.2
58.00597	1.2
58.87001	0.3
59.01379	25.5
60.81390	0.3
63.78584	0.4
66.96964	0.3
68.04351	0.3
69.03460	0.7
69.87270	0.7
69.87685	1.2
71.01385	34.2
71.05016	0.7
71.91745	0.5
72.01714	0.6
72.99306	1.6
73.02951	14.8
73.06589	0.6
74.03319	0.4
83.01390	9.7
84.19502	0.4
85.02955	19.3
86.00098	1.0
86.03275	0.8
87.00882	1.8
89.02451	5.1
89.64108	0.3
95.01389	2.5
97.02964	1.0
98.20528	0.5
99.00882	6.8
101.02448	41.7
102.02799	0.9
111.00865	1.2
113.02456	14.6
119.03559	0.6
125.02462	1.3
129.01942	0.9
131.03473	1.2
143.03510	1.7
159.03003	3.3
161.04558	16.3
162.04843	0.6
205.03452	0.4
212.75774	0.4
235.11868	100.0
236.12224	8.1
279.10727	0.6
304.49231	0.4
367.16101	7.2
368.16425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03447	0.6
58.00619	0.6
59.01384	100.0
60.01720	1.3
61.98843	0.7
63.82011	0.6
70.75925	1.1
70.76234	0.7
71.01392	12.2
71.01765	0.9
72.01743	0.5
72.99331	1.2
73.02937	1.6
83.01404	0.9
85.02944	3.5
87.00887	0.8
89.02448	15.0
95.01408	0.5
99.00897	1.1
101.02459	9.9
104.62653	0.5
113.02453	5.9
119.03516	6.9
120.01282	1.0
131.03520	0.8
161.04588	2.6
165.12909	0.6
167.03531	0.8
176.49390	0.5
179.05605	1.1
206.13068	0.5
214.10030	0.5
262.57425	0.6
266.04602	0.6
291.12189	0.6
307.17642	6.8
308.18137	0.6
367.18408	2.9
368.18228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37603	0.9
55.01869	1.4
57.03444	3.4
58.00580	3.5
59.01379	100.0
60.01732	1.4
61.98820	1.5
69.03459	2.8
69.68206	2.1
69.68615	4.3
71.01382	58.3
72.99311	3.6
73.02946	16.2
75.00834	1.0
80.72973	0.9
81.03445	1.2
83.01385	3.6
85.02960	11.1
87.00887	3.6
89.02446	72.6
90.02798	1.9
95.01385	4.9
97.06581	6.3
98.19844	1.4
99.00851	2.1
99.04491	2.1
101.02445	34.8
111.08109	1.1
113.02451	24.5
115.07675	1.5
119.03500	33.5
125.02439	1.6
125.33982	0.9
131.03505	3.0
143.03481	7.0
143.07147	2.9
149.04539	3.4
153.09279	1.2
159.03064	1.2
161.04587	11.7
179.05597	20.8
203.12874	47.1
204.13208	2.7
305.12411	2.4
365.14310	1.8
365.18155	37.7
366.18524	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
57.03443	2.0
59.01382	100.0
60.01735	1.2
61.98833	60.1
64.77164	0.7
69.57864	4.5
71.01384	8.2
73.02951	2.4
83.01395	1.0
85.02969	2.9
87.00884	1.3
89.02438	5.1
89.02917	0.6
98.20660	1.5
99.00916	1.1
99.04567	0.9
101.02440	5.5
103.04041	1.1
113.02454	3.5
117.05617	0.9
119.03502	3.7
122.06083	0.8
123.04543	0.8
126.38478	0.7
161.04623	3.0
179.05669	1.9
183.06853	0.7
195.05544	0.7
203.12857	1.7
265.57462	0.7
273.12637	1.0
285.12509	2.7
292.43839	0.7
303.13675	1.7
305.16241	2.9
307.10446	1.3
337.06412	0.8
365.13620	1.9
365.18219	8.3
365.22107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
58.00590	1.0
59.01382	27.3
61.98824	1.3
63.33573	0.4
70.61624	1.6
71.01388	16.2
72.01687	0.4
72.99313	1.3
73.02936	1.7
83.01397	2.0
85.02953	4.6
87.00888	1.9
89.02448	13.5
95.01369	1.2
99.00852	0.6
101.02445	11.8
113.02450	6.1
119.03494	4.6
119.04988	0.9
127.11272	3.6
139.11316	0.5
143.03551	0.5
150.05676	0.5
155.10771	1.5
157.12337	14.6
158.12657	0.7
161.04588	1.1
175.97237	0.4
185.11861	2.6
187.13406	1.5
199.13435	1.1
203.12878	41.3
204.13254	3.5
235.13451	0.5
245.13890	1.2
302.12146	0.8
365.18149	100.0
366.18481	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1968
Annotation	Gibberellin A42
Peak:m/z	Relative Intensity
57.03437	11.6
59.01382	100.0
61.98822	2.8
76.98554	2.4
78.67789	2.4
82.69290	2.4
83.05026	4.9
85.02959	2.7
85.17554	2.7
91.05527	3.1
96.96019	3.5
109.06561	4.0
111.08128	4.2
119.04989	3.0
119.80360	2.5
135.04462	2.4
146.49292	2.8
151.07648	4.7
199.49792	2.3
216.07782	2.5
242.46854	2.6
254.02571	2.6
259.20682	8.5
264.71326	3.0
277.21811	20.4
303.19540	5.6
316.98145	2.6
321.20761	28.3
322.20984	4.0
347.18597	3.7
351.03745	2.8
365.15036	3.6
365.19659	92.3
366.19891	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	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08933	0.5
59.01370	2.3
68.00854	0.5
87.00878	1.4
89.83596	0.5
98.25488	0.6
105.01938	4.9
117.88577	0.6
123.50953	0.5
130.04315	0.5
259.20749	0.7
277.21732	100.0
278.22052	12.0
365.27069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01365	3.4
61.68035	0.7
69.30601	0.8
85.06577	3.4
89.13966	0.8
95.04962	0.9
98.20705	1.9
107.05289	0.7
126.14625	0.7
129.21312	0.8
165.84998	0.8
167.43716	0.8
190.52089	0.9
191.26274	0.9
199.13342	1.8
279.19644	17.4
280.20102	1.7
283.26578	1.0
347.25964	5.8
348.26370	1.0
365.26953	100.0
366.27353	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	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74776	0.2
54.39510	0.2
56.63346	0.2
59.01381	0.7
70.96044	0.3
71.01396	0.3
73.16277	0.2
92.47777	0.2
101.02443	0.3
116.05058	3.9
117.05450	0.2
124.97045	0.2
137.37347	0.2
141.50772	0.2
159.03249	0.7
160.04041	100.0
161.04393	5.8
161.05424	0.1
204.03027	4.4
204.08498	0.2
205.03348	0.4
332.33701	0.2
366.08273	17.9
367.08609	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	366.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03436	0.7
58.00599	1.1
59.01382	24.6
59.13929	0.5
61.98825	2.2
69.66772	2.9
69.67180	0.8
71.01388	12.0
72.99300	3.7
73.02941	1.2
75.00875	4.0
76.09089	0.5
83.01404	0.9
85.02953	3.5
87.00887	2.5
89.02451	10.7
95.01385	0.8
99.00902	1.2
101.02448	6.5
102.02746	0.6
113.02452	4.2
115.14086	0.6
116.05059	8.3
117.05392	0.6
119.03506	2.6
120.01272	3.3
123.04516	0.8
128.05080	1.8
130.06616	2.0
142.06627	100.0
143.06955	7.0
144.04601	0.6
158.04912	0.9
158.06119	11.7
160.28101	0.5
161.04448	0.6
167.03526	3.0
168.03893	1.1
172.04092	0.7
179.22702	0.5
186.05608	48.6
187.05945	3.4
191.03387	0.5
202.43906	0.6
204.06659	30.4
204.13237	0.5
205.06975	1.8
237.06149	1.1
246.07742	2.8
248.68236	0.5
354.43207	0.6
366.11932	71.4
366.18582	2.4
367.12213	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	367.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41135	1.2
59.01383	40.7
61.98831	100.0
69.66949	7.3
71.01382	18.5
72.99292	2.7
73.02952	5.8
74.99154	1.9
75.00902	1.8
75.65790	1.2
78.06396	1.2
80.00060	1.2
80.92809	1.2
81.03470	1.6
83.01414	2.2
83.05027	15.2
85.02941	7.7
87.00872	2.8
89.02457	13.8
91.63473	1.6
95.01379	1.7
99.00875	2.4
99.04529	3.1
101.02446	15.7
101.06082	8.4
109.03013	1.5
113.02456	7.7
119.03490	6.7
125.02467	5.4
125.06089	3.9
127.04008	1.6
131.03500	1.8
137.02415	1.7
143.03510	2.6
145.05069	38.4
145.08743	1.4
146.05388	2.0
149.04745	1.4
153.01901	3.1
160.04004	6.6
161.04475	14.5
168.04242	1.7
169.05092	5.1
179.05580	2.8
182.31273	1.5
187.06068	2.9
187.09641	1.5
217.07315	1.7
221.10289	7.6
247.08350	3.2
305.06650	3.4
307.13840	8.1
354.94995	1.5
367.12164	2.3
367.16000	8.2
367.19879	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.9
57.03452	3.0
58.00592	1.5
59.01381	30.3
61.98838	3.8
69.03449	1.0
69.83902	1.7
71.01385	37.0
72.01718	0.6
72.99306	2.3
73.02949	18.3
75.00858	0.7
80.74660	0.3
81.03462	0.5
83.01395	12.3
83.05017	0.4
85.02955	20.8
86.00095	0.7
86.03333	0.7
87.00858	1.7
89.02444	7.4
95.01400	2.5
97.02946	1.5
98.19862	0.4
99.00888	6.5
99.04549	0.4
101.02448	43.7
101.50050	0.3
102.02757	1.2
103.04015	1.3
111.00883	0.7
113.02456	16.3
114.02798	0.8
117.20683	0.4
119.03506	1.9
122.95551	0.3
125.02451	1.9
129.01944	1.3
129.05609	0.5
143.03499	2.5
145.05049	1.0
147.77116	0.4
157.64249	0.3
159.02986	3.6
161.04564	18.1
162.04913	0.8
163.06100	1.1
176.46255	0.3
179.05663	0.3
188.61778	0.4
205.03395	0.5
221.10297	100.0
222.10637	6.7
229.07085	0.5
247.08217	0.6
265.09216	0.9
367.16074	25.4
368.16428	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	363.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.2
59.74689	4.0
69.90186	12.3
69.90603	9.9
71.01389	17.2
72.99320	8.2
79.01917	4.7
80.96513	21.8
83.01369	6.2
83.62592	3.6
85.02944	6.9
87.00890	5.0
89.02457	22.7
101.02442	15.7
107.69868	4.1
111.00861	8.4
113.02449	6.3
119.03506	6.7
125.02468	5.5
138.05600	8.2
139.05952	5.9
151.00365	5.7
153.01953	10.3
165.07721	8.6
179.05589	7.2
191.02032	6.4
200.03253	4.7
327.12946	100.0
328.13336	6.3
363.10770	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01379	2.8
69.03451	0.4
71.01403	1.7
71.62826	0.6
72.99301	0.4
73.02937	1.5
78.16217	0.4
78.92693	0.4
85.02948	1.2
89.02467	1.0
97.63230	0.3
99.00861	0.4
101.02445	2.0
109.04583	0.4
113.02430	0.8
117.90744	0.3
119.05056	0.4
120.01234	0.4
129.01961	0.5
145.02948	0.7
157.02969	0.6
158.03725	15.4
159.04527	5.2
161.04582	0.5
166.36432	0.3
171.04472	2.4
173.06058	0.5
179.05559	0.4
185.06029	0.5
196.27116	0.4
201.01952	0.8
201.05600	2.7
202.02710	100.0
203.03201	9.6
210.15631	0.4
213.05580	2.7
217.09372	0.4
227.03531	0.4
231.06602	1.3
245.04538	0.9
275.05603	1.6
321.64880	0.4
365.08752	41.4
365.18054	0.9
366.09058	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03447	100.0
57.96885	1.2
58.00562	1.4
58.03758	2.2
59.01380	90.4
61.81311	1.5
61.98833	18.6
68.35915	1.5
69.46461	11.5
71.01383	21.5
72.99279	2.2
73.02948	8.0
83.01395	5.6
84.66499	1.3
85.02946	8.8
89.02444	6.5
99.00874	3.2
99.04521	73.6
100.04814	2.8
101.01770	2.3
101.02442	32.9
113.02461	8.9
119.03486	3.8
122.26730	1.5
123.04503	1.5
125.02435	18.2
141.09262	1.7
143.03456	1.4
146.12190	1.6
149.04616	1.3
152.22292	1.3
159.02917	1.4
160.04100	1.5
161.04562	8.5
167.03511	7.9
180.06279	1.3
203.09259	3.5
203.12830	3.4
221.10297	31.8
222.10635	3.0
263.11401	2.0
297.92865	1.5
302.51321	1.7
305.12631	1.4
365.14114	9.3
365.18085	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
56.35857	0.4
56.98974	0.5
57.03452	1.1
58.00594	1.4
59.01382	28.4
61.98837	0.8
62.93020	0.5
69.62881	2.7
69.63290	1.4
71.01385	16.6
72.46119	0.6
72.99309	1.7
73.02949	2.2
83.01394	1.5
85.02962	3.9
87.00877	1.4
89.02448	16.6
95.01376	1.5
99.00875	1.2
101.02448	12.4
113.02451	7.0
119.03506	5.3
127.11309	3.9
139.11285	0.7
143.03461	0.6
150.05536	0.7
155.10782	2.2
157.12341	17.5
157.52838	0.6
158.12712	1.1
161.04512	1.6
171.13876	1.0
179.05627	0.9
185.11781	2.9
187.13382	0.7
199.13390	1.1
203.12886	43.3
204.13255	2.9
245.13870	1.1
315.10739	0.7
365.18164	100.0
366.18558	12.4
366.23102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	1.3
59.01376	20.4
67.06249	0.8
69.79979	2.8
77.18079	0.6
78.76857	0.6
90.19398	0.8
129.12970	0.7
150.91354	0.7
155.75746	0.8
166.89862	0.7
206.09492	0.7
279.23273	100.0
280.23615	11.8
361.15323	9.9
361.23578	18.0
361.27899	1.3
362.15622	1.5
362.23880	3.2
362.27820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
82.02002	9.4
95.75685	8.1
99.92557	9.5
317.24765	13.9
361.20001	18.7
361.23837	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	361.989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50640	0.4
59.01381	12.5
60.01719	1.2
61.98832	100.0
69.93426	0.7
69.93832	1.4
83.14366	0.4
84.73685	0.5
121.02927	0.5
137.90932	0.4
146.47331	0.4
150.59801	0.4
159.97356	0.9
174.99242	0.9
178.98582	1.3
201.02585	1.6
203.02394	0.9
203.99977	4.5
204.02818	1.1
205.00124	0.7
206.97409	0.4
217.00311	3.3
217.97960	0.8
218.00694	3.6
219.00668	1.1
219.97755	46.1
220.99669	4.9
277.96997	0.6
277.99680	0.7
301.98831	0.4
319.98105	1.6
320.01056	1.2
361.98611	5.6
362.99503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03458	1.2
59.01383	30.3
60.01740	1.5
60.75560	1.2
61.01798	2.0
61.98838	100.0
71.01390	26.3
71.62128	1.3
72.99316	2.5
73.02950	5.4
73.44181	1.1
74.99109	1.9
83.01372	1.3
85.02969	9.4
87.00858	2.1
87.53738	1.3
89.02454	18.8
91.02846	2.5
93.03473	16.4
95.01360	1.7
95.87963	1.2
97.06570	1.3
101.02448	15.3
109.03036	1.4
113.02448	9.2
113.06097	1.3
114.02786	1.8
119.03520	8.3
123.00848	1.3
125.02458	2.8
137.02458	40.0
138.02777	2.6
143.03488	1.5
149.04636	1.4
151.03976	1.5
160.04059	1.8
161.04568	5.0
165.09242	2.8
179.05669	2.7
180.07463	3.1
201.11331	10.6
264.47449	1.3
299.07813	3.4
318.07062	1.4
362.08847	1.9
362.14783	2.6
363.12256	2.4
363.16678	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01382	25.2
61.98832	100.0
63.96241	1.0
64.64933	1.1
70.01917	2.2
70.02304	3.4
71.01386	18.2
72.01730	1.1
72.99306	2.2
73.02950	5.2
79.18913	1.1
80.96557	1.3
81.03452	1.1
83.01405	2.3
85.02944	4.9
87.00867	2.2
89.02446	11.8
90.02775	1.4
93.02902	1.8
93.03437	11.1
95.05048	1.3
99.00890	2.8
99.04533	1.3
101.02461	11.6
103.26546	1.3
109.02997	1.6
113.02469	8.2
119.03535	3.7
123.04498	1.6
125.02453	2.3
131.03531	1.5
137.02446	37.6
138.02802	2.0
149.02440	1.7
149.04457	1.4
154.24783	1.4
161.04553	6.8
165.09235	2.0
169.29352	1.2
179.05579	2.3
181.34476	1.4
194.68410	1.3
201.11310	9.7
217.34578	1.3
253.66602	1.2
256.79117	1.5
271.74081	1.3
299.07733	5.2
318.07126	1.4
362.15152	1.7
363.12238	2.2
363.16556	12.4
389.41171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24579	0.6
59.01383	9.6
61.98832	100.0
67.06966	0.7
69.52745	2.7
69.53165	1.9
71.01382	3.6
73.02947	0.9
77.11554	0.8
83.01392	0.8
85.02943	0.8
85.79453	0.6
87.00866	0.7
89.02449	2.3
98.19864	0.9
101.02448	2.4
113.02480	1.3
119.03475	1.1
123.30312	0.7
134.98523	0.6
138.02002	0.8
161.04654	0.8
201.11284	1.2
268.08719	0.6
273.41977	0.7
287.10483	1.4
363.07574	0.8
363.16644	6.1
364.17392	0.8
367.10504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03438	2.1
58.00581	1.8
59.01383	35.9
61.98821	4.7
66.18906	0.9
68.22963	1.0
69.03461	1.5
71.01384	22.4
71.62466	1.5
72.99294	2.5
73.02938	1.6
74.99072	1.0
80.96506	1.4
83.01371	3.5
85.02948	5.1
87.00880	1.6
89.02448	18.2
95.01377	1.8
101.02454	15.2
107.08662	16.9
113.02472	7.5
119.03483	5.9
119.08669	2.3
120.99635	6.3
123.08121	1.2
136.99164	1.3
137.02428	1.6
151.04022	1.1
163.07573	1.1
169.01398	1.2
178.38576	1.0
181.08705	25.1
182.09059	1.3
184.03738	1.4
199.09758	27.8
200.10069	1.2
229.04927	1.4
361.09982	4.1
361.15030	100.0
362.15314	11.5
373.79529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03455	1.5
57.72289	0.7
58.00594	1.6
59.01383	37.9
61.98828	4.8
69.03442	2.6
70.77106	1.5
70.77427	1.0
71.01384	24.2
72.99305	4.2
73.02953	1.8
76.49208	0.8
83.01387	1.9
85.02937	4.1
87.00885	1.1
89.02449	18.7
94.08207	0.9
95.01408	1.6
95.05005	1.5
101.02452	16.1
107.08673	17.8
109.02995	1.1
113.02451	6.1
119.03519	6.8
119.08674	2.3
120.99667	4.2
123.04488	1.2
124.50886	0.7
125.02447	1.5
128.90765	0.7
133.06540	1.1
136.99100	0.9
137.02428	1.1
137.09726	1.4
139.02274	0.9
143.03452	0.8
153.09239	1.1
163.07574	0.9
179.05728	1.2
181.08710	26.2
182.09084	2.3
184.03648	1.2
195.06673	1.2
199.09755	28.4
200.10101	1.8
241.10788	2.3
251.32422	0.9
254.21754	0.8
330.11169	1.8
361.15033	100.0
362.15411	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	361.1659
Annotation	Humirianthol
Peak:m/z	Relative Intensity
51.69467	1.1
53.55062	1.0
57.03183	2.0
57.03455	34.2
58.03785	1.1
59.01390	8.8
61.98815	2.3
69.49629	8.3
71.01374	1.8
71.05016	1.2
75.25928	1.0
81.60137	1.1
83.05019	2.2
107.05054	2.1
121.02962	4.0
122.03727	2.3
123.08086	1.3
135.04507	4.8
136.05188	1.3
141.33047	1.1
145.20110	1.2
149.02451	10.2
151.60013	1.0
159.08182	8.6
164.04803	20.4
165.05511	4.6
166.06281	1.3
173.09756	2.2
174.91269	1.1
179.07140	17.0
189.12845	12.8
199.11211	1.6
203.14368	3.4
215.14429	20.6
216.14696	3.0
217.16078	1.2
229.15865	1.4
245.66920	1.2
255.17503	2.1
273.18649	11.5
274.18948	1.4
292.71634	1.0
295.06097	1.1
299.16458	5.9
317.14148	2.1
317.17542	12.7
318.17834	2.1
343.15530	3.6
361.16562	100.0
362.16861	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	361.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
59.01380	4.0
64.21451	0.7
68.86477	0.6
69.43507	5.4
71.01394	4.1
73.02925	0.8
83.01353	1.2
85.02910	2.4
89.02425	0.9
93.03454	4.2
99.00859	0.9
101.02393	3.1
108.02126	1.3
109.02957	7.2
121.02956	31.0
122.03763	21.8
123.04443	3.1
124.01601	1.8
129.03421	1.9
134.03752	1.0
135.04530	4.0
136.05258	1.1
137.02432	4.2
146.03667	1.5
147.04520	12.8
148.05215	1.2
149.05980	2.1
154.02632	3.2
159.04430	0.9
161.06114	4.3
162.79443	0.7
163.03909	0.9
164.04651	0.7
165.05573	35.5
165.61058	0.7
166.05754	2.1
173.05986	0.8
178.06233	1.3
179.07140	13.7
180.07555	1.1
191.07021	0.8
199.13283	1.4
223.09573	0.8
298.11938	1.5
313.14175	2.0
315.12543	3.8
316.12985	1.1
331.15564	0.8
346.14203	12.3
347.14328	1.7
361.16312	100.0
362.16687	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54278	0.3
59.01385	8.6
61.98828	0.8
65.32097	0.3
66.06367	0.4
66.88846	0.4
69.86536	1.5
69.86942	0.8
71.01389	3.0
72.99306	0.9
85.02967	0.6
89.02440	2.4
98.19892	0.4
101.02462	1.2
102.63699	0.4
107.08680	1.1
108.02180	7.7
113.02422	0.5
119.03477	0.4
119.08672	1.0
136.42242	0.4
138.01974	100.0
139.02313	4.2
151.02753	0.6
181.08711	2.5
199.09758	1.9
210.26715	0.4
237.09158	0.5
342.09805	1.6
360.10849	1.7
361.10587	0.9
361.15021	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	360.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72141	1.0
54.79540	0.8
59.01378	11.3
60.94599	1.1
61.98831	100.0
71.01376	5.2
72.99315	1.6
80.56323	0.8
85.02987	1.6
89.02454	4.9
94.03011	0.9
101.02442	2.7
108.04536	1.2
108.73218	0.9
113.02444	1.3
119.03503	2.0
120.04512	1.2
124.01199	0.8
130.02350	0.9
134.04727	0.8
136.04037	3.3
138.01978	2.1
138.05592	1.1
150.92023	1.0
151.03990	1.5
153.01920	1.5
154.05089	3.2
156.44275	0.9
180.02998	3.2
212.42250	0.9
316.10355	3.1
360.09360	11.8
361.09869	1.7
382.91235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.8
59.01379	18.9
60.01698	0.6
61.98834	3.0
69.89904	3.3
71.01385	12.0
72.01728	0.7
72.99290	2.1
74.05272	0.6
78.95881	0.7
80.96510	1.0
85.02927	2.6
87.00870	1.1
89.02458	9.7
94.02987	1.6
95.01363	0.7
95.05000	1.2
95.63715	0.6
101.02444	5.2
108.04536	0.7
110.66283	0.6
113.02442	4.1
114.02856	0.6
119.03484	3.4
120.04582	0.7
121.02984	0.6
121.05325	1.7
123.00880	0.7
125.02457	1.0
127.26449	0.6
129.10359	0.7
134.06102	2.3
135.03226	0.8
136.07686	51.6
137.02432	0.8
137.06067	0.9
137.08041	2.7
138.01965	3.5
139.00385	1.3
139.03926	0.6
140.01144	0.6
153.01953	0.7
154.05132	0.7
161.04488	0.8
165.01892	0.6
166.08755	0.8
168.06653	0.7
179.05704	1.0
179.07161	0.7
180.06654	100.0
181.01512	0.8
181.05318	1.0
181.06987	6.1
182.99295	0.9
198.08025	0.6
199.06123	0.7
210.00757	0.6
210.06178	0.6
238.09518	1.2
240.05072	0.7
281.10721	0.7
342.11841	2.3
343.10309	0.7
360.13205	14.0
361.08429	0.8
361.13696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
59.01379	43.0
61.98823	19.0
69.50588	21.4
71.01385	20.3
72.97531	7.9
73.02951	5.5
78.95897	2.9
85.02946	7.4
89.02435	5.0
95.01381	6.5
99.00897	3.2
101.02444	7.6
109.02984	4.5
113.02448	10.8
116.02152	3.2
121.02962	5.2
123.00891	100.0
124.01633	10.2
138.03233	75.6
139.04050	24.7
149.02351	3.5
151.03943	3.2
156.44092	2.5
161.04552	28.7
166.02795	3.5
181.05023	9.8
182.99216	3.4
193.05042	3.4
199.02704	3.1
207.58710	2.9
301.09283	30.8
301.50174	2.8
361.07468	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91487	0.6
57.03446	4.2
59.01382	25.1
69.03468	0.5
69.27357	0.5
70.40683	1.8
83.05013	1.2
86.17245	0.5
89.02425	0.7
95.05028	1.7
97.06591	14.9
111.08176	1.2
111.85628	0.6
119.89278	0.5
123.08176	10.0
125.09725	100.0
126.10071	5.6
127.07663	0.6
127.57866	0.5
169.08665	1.4
171.10309	2.0
187.09756	6.7
188.88582	0.5
189.11282	0.8
191.21722	0.6
191.43820	0.6
200.22595	0.5
223.29311	0.5
248.25163	0.5
279.19699	5.3
297.20740	8.3
298.21164	0.8
299.18649	23.6
300.18979	3.0
315.16064	1.0
341.19693	10.9
342.20071	1.3
359.20752	79.5
359.28101	5.0
360.21100	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	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.0
71.17872	1.3
88.27973	0.6
98.38956	0.5
99.92533	0.7
111.13580	0.6
138.53207	0.5
160.43785	0.6
163.00085	0.6
165.17143	0.6
239.34859	0.6
277.21713	100.0
278.22058	12.4
359.22052	17.2
360.22379	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	359.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01389	1.8
61.98837	0.3
63.10965	0.3
69.03442	0.4
70.04861	1.0
78.64391	0.2
97.06608	0.4
98.19953	0.3
105.38493	0.2
107.53754	0.2
108.82765	0.2
116.13919	0.2
125.06078	0.5
125.09744	0.3
127.11261	0.8
137.09760	0.3
141.09236	1.8
141.12802	0.4
143.07175	3.0
155.10748	0.5
173.11830	3.9
185.11810	0.4
187.09665	0.2
194.37935	0.3
295.22760	0.3
297.20779	0.5
299.18588	1.2
311.22266	0.6
311.25958	0.8
313.23837	6.8
314.24271	0.6
339.25522	0.3
341.19617	0.8
341.27005	2.0
342.27441	0.3
346.04684	0.3
346.08704	0.3
357.26495	1.0
359.20743	5.6
359.28036	100.0
360.21155	0.8
360.28360	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	359.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43584	1.2
54.13375	1.3
59.01374	5.1
69.39026	11.5
71.01366	1.8
80.24826	1.2
83.05023	1.4
86.93243	1.4
92.58894	1.2
93.03494	1.4
101.02460	1.6
111.08194	2.2
112.04004	1.4
115.53261	1.3
116.37454	1.2
116.46621	1.3
121.02953	9.0
122.03719	4.9
123.04565	2.8
125.09727	3.8
132.02159	1.3
137.02393	2.8
148.05295	3.1
149.02444	100.0
149.06035	5.8
150.03250	34.2
164.04779	16.2
165.05571	27.6
166.02858	1.5
166.05983	1.9
171.10158	1.4
177.05518	1.2
179.03604	1.4
180.04291	1.5
195.04977	1.3
195.06598	8.0
201.11386	1.6
208.94482	1.5
253.08742	1.3
256.03659	1.8
263.15680	1.2
268.98273	1.4
281.08160	1.6
284.03186	7.9
295.09790	2.1
296.10507	29.5
297.10757	2.8
299.05597	10.8
309.11258	1.6
311.12894	75.7
312.13278	13.4
326.11630	2.7
341.13773	5.0
344.12674	1.5
346.34900	1.6
359.07404	2.7
359.14920	2.8
359.20825	2.7
359.27979	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	359.1502
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
59.01374	1.8
61.98812	1.0
71.01369	0.9
71.64123	1.1
73.25010	0.8
89.02459	0.9
95.01408	0.8
97.30204	0.9
100.11244	1.1
101.02485	1.3
101.88634	0.9
108.02195	5.7
109.02959	18.8
111.00848	1.7
121.02972	9.1
122.03722	2.8
123.00878	6.0
123.04526	4.3
124.01655	4.4
133.02975	1.0
133.06607	1.4
134.03741	4.8
135.04501	2.6
136.01665	75.1
136.05255	1.5
137.02400	3.8
138.03214	1.0
145.02904	1.4
146.03726	5.6
149.02438	2.5
149.06056	3.1
150.03195	2.7
151.04012	100.0
152.04321	5.8
158.03714	1.0
159.04515	11.2
161.02460	2.0
161.06091	12.4
162.03200	3.3
162.06781	3.8
163.04010	7.1
163.07671	1.2
164.04756	4.6
165.05507	1.4
166.06345	19.4
166.07687	0.8
172.05246	1.1
173.06081	3.8
174.06841	4.4
175.03951	1.9
175.07571	1.1
176.04742	1.8
176.08456	1.0
176.29437	0.9
177.05562	7.7
179.03529	6.0
179.07141	3.4
181.08701	13.2
189.05550	2.3
191.07176	2.6
192.04175	0.9
193.05000	1.3
193.08665	1.2
194.05827	2.7
196.03851	1.1
196.47026	0.9
203.03490	1.5
207.06731	1.0
238.06467	0.9
253.08771	1.9
262.04956	1.6
266.06033	4.3
266.08667	0.9
268.05682	3.1
276.11267	0.9
281.08212	10.6
282.08496	2.1
283.08041	3.8
296.10556	14.8
297.11191	2.9
299.09424	1.5
311.09357	2.2
311.12860	23.2
312.13208	4.6
314.11536	6.9
326.11600	6.5
329.13928	64.4
330.14233	9.6
341.13983	6.8
344.12625	3.0
359.14999	31.4
359.19632	1.4
360.15332	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	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.1
60.67252	2.0
60.68715	2.0
61.98824	4.8
63.06535	1.9
69.06113	2.1
69.81119	11.3
71.01366	2.6
73.31194	2.0
83.05056	2.6
89.02477	3.1
121.02947	4.0
125.09708	4.2
148.05293	2.2
149.02443	5.7
163.04002	3.6
164.04785	27.3
166.06299	3.8
171.30153	2.2
171.42918	2.0
179.07137	14.4
180.04372	2.2
185.06050	8.7
187.09776	6.3
195.04507	7.9
197.06046	2.7
199.46100	2.1
212.04799	3.4
213.05580	41.5
214.05939	2.9
223.04033	7.0
224.04689	6.6
239.03513	3.3
241.05058	100.0
242.05423	9.1
256.07422	60.1
257.07712	8.8
271.09775	64.7
272.10052	4.5
359.14813	5.4
359.18530	3.6
359.28152	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	359.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
71.01394	1.4
71.63251	1.5
82.93784	1.0
89.02440	1.1
89.78941	1.2
93.03465	4.5
109.02948	3.6
121.02969	14.4
122.03791	5.5
123.04528	1.8
124.94611	1.2
125.09713	1.9
134.03735	1.2
134.65234	1.3
137.02449	12.0
147.04491	2.3
148.05330	9.7
149.02455	100.0
149.06049	7.1
150.03252	37.4
151.00337	3.1
151.04022	1.4
155.06989	1.3
159.10272	2.5
163.07657	4.3
164.04803	13.8
165.05579	48.1
166.02751	4.5
166.05902	3.4
173.11842	2.6
179.03502	9.6
180.04208	3.1
181.05054	5.9
195.05008	1.6
195.06647	12.5
196.06848	1.4
251.00017	1.1
251.07242	1.7
252.07870	1.5
253.08492	1.8
267.10278	3.3
283.09753	6.8
287.18665	1.1
294.09100	1.4
295.09720	3.7
296.10553	26.7
297.10840	4.6
309.11456	8.8
310.11505	1.3
311.09460	3.6
311.12875	68.5
312.13138	6.5
315.15891	1.6
316.00269	1.2
326.11536	13.1
327.11880	2.3
341.13959	15.8
342.14368	1.5
359.14792	3.4
359.20343	4.3
359.27957	3.1
374.82053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1499
Annotation	Saccharothrixin B
Peak:m/z	Relative Intensity
55.04965	0.7
59.01324	1.7
62.42191	0.6
69.85229	3.9
96.08376	0.7
97.06529	1.8
98.19827	1.1
125.09726	6.8
135.04472	0.9
149.06058	1.3
157.46017	0.8
159.10112	1.1
170.77371	0.7
179.06967	1.1
187.09637	2.5
189.11221	1.4
213.09151	1.4
225.09081	3.1
227.03377	2.0
228.04182	3.3
234.02933	0.9
239.07005	2.2
239.10513	1.3
240.07915	5.0
241.05014	1.0
241.08687	18.1
242.05818	1.5
242.09010	1.4
251.07083	2.2
252.07652	2.4
253.05124	1.0
253.08188	0.9
254.05807	17.1
254.09648	1.2
255.06418	1.0
255.10168	3.6
265.08698	5.7
266.09219	1.2
267.06680	1.4
267.10172	4.3
268.07471	4.1
269.08176	31.3
270.05283	16.5
270.08435	3.4
271.05688	1.4
274.24271	0.7
279.10120	1.1
281.08133	1.5
282.08966	3.8
283.09735	11.6
284.07141	2.0
284.10504	37.9
285.07703	2.0
285.10846	4.4
286.08276	0.9
292.07416	1.7
293.08188	17.3
294.08856	9.9
295.09271	1.6
296.06650	1.3
297.11362	7.3
298.11780	1.4
299.09045	3.5
300.09534	0.8
307.09726	3.1
308.10492	2.7
309.11331	16.4
310.08493	1.1
310.11676	1.6
311.09250	7.0
312.09650	1.1
313.17917	0.9
316.09497	44.0
317.09839	6.5
325.10825	7.5
326.11578	66.4
327.12012	9.8
341.13910	100.0
342.14264	16.8
359.15005	67.3
359.20554	6.4
360.15344	10.4
360.19708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55656	0.6
59.01389	1.0
70.32640	2.5
83.74640	0.7
87.86250	0.7
99.82671	0.6
109.02974	0.8
149.02437	1.1
157.06676	0.7
164.04785	6.8
167.05034	1.9
169.06613	1.3
171.04498	1.8
179.07153	2.8
185.06091	10.2
186.06468	1.1
195.04515	7.4
196.05203	3.0
197.06073	3.0
199.03986	0.8
211.04016	1.8
212.04800	4.8
213.05580	38.5
214.05936	3.1
223.04004	6.9
224.04768	6.6
225.05190	1.0
239.03470	1.3
240.04311	3.2
241.05075	100.0
242.05418	9.7
256.07425	54.5
257.07712	5.3
271.09772	72.6
272.10117	7.4
283.13409	0.9
287.22318	4.4
341.21228	2.1
358.26758	3.0
359.15073	0.8
359.21973	2.1
359.27475	4.8
366.46994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23573	1.0
59.01379	100.0
71.01388	8.1
73.02950	1.4
74.71758	0.9
79.16111	0.9
80.47765	1.0
82.62066	0.9
85.02946	3.2
89.02439	3.0
95.34669	0.9
98.19763	1.9
101.02462	5.2
106.04263	1.4
113.02436	5.0
114.74263	1.0
119.05041	2.8
123.00890	2.9
137.06081	57.0
138.03250	5.0
138.06422	1.6
153.05547	2.2
159.03004	1.5
161.04570	9.9
164.04820	1.5
166.99783	1.6
179.07068	1.5
182.02184	3.2
197.04536	9.3
197.08237	1.3
198.04819	1.2
214.03568	1.0
229.36008	1.1
343.07880	1.2
366.91412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62167	0.8
55.01859	1.6
57.03444	1.3
58.00603	4.5
59.01379	100.0
69.31844	4.4
69.32262	3.5
71.01382	60.2
71.18784	0.8
72.01724	1.4
72.99309	5.6
73.02940	2.3
83.01378	3.2
85.02950	11.1
87.00883	3.2
88.99773	1.2
89.02447	67.6
90.02795	2.3
95.01385	4.1
98.20667	1.6
101.01764	1.7
101.02442	32.1
111.58913	0.8
113.02449	22.9
119.03498	28.3
120.03796	1.2
121.02979	0.8
122.03736	2.8
131.03523	1.9
132.63910	0.9
143.03476	3.1
146.03743	22.3
147.04224	1.9
149.04599	1.4
161.04552	2.6
161.06053	6.4
164.04791	14.8
165.05032	1.1
179.05634	3.6
179.07124	46.4
180.07436	3.6
182.05867	6.8
197.08182	16.8
266.84283	0.9
324.26868	1.0
359.13528	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	359.1499
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
52.84017	1.0
59.01360	3.8
61.98816	1.8
62.53299	0.9
66.42786	1.1
69.03427	1.0
70.78872	2.3
70.79206	2.2
73.02945	1.4
88.50172	1.1
89.87489	0.9
97.06543	1.7
101.04564	1.1
125.09715	2.6
137.02394	3.5
149.02420	1.6
149.06023	1.9
187.09744	1.6
213.09402	1.2
225.09096	2.4
240.07936	3.3
241.08708	12.5
242.09129	1.3
251.07101	2.2
252.04306	1.9
254.05809	11.0
265.08691	4.0
267.06665	1.2
267.10217	2.7
268.07370	3.9
269.08194	21.7
270.05316	9.5
270.08337	2.7
271.05740	1.4
279.10239	1.5
281.07932	1.6
282.08899	2.8
283.06735	1.8
283.09732	9.4
284.06949	7.9
284.10522	26.0
285.07669	2.8
285.10892	4.2
285.16968	1.6
287.22229	2.3
293.08255	10.8
294.08868	5.9
297.11322	3.6
298.11862	1.1
299.09277	15.4
300.09848	1.7
307.09729	1.6
308.10648	1.2
309.11304	12.8
311.09323	5.1
313.18222	1.4
316.09515	35.9
317.09851	3.5
325.10782	6.9
325.14185	1.2
326.11572	46.5
327.12000	7.0
328.25659	1.5
341.13919	40.8
342.14151	5.3
344.12521	2.3
358.26819	4.9
359.14987	100.0
359.27701	10.3
360.15305	15.7
360.28195	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54593	0.8
53.54853	0.8
55.01867	2.8
55.43793	1.0
55.92059	0.8
57.03428	2.4
58.00595	2.0
59.01387	33.5
71.00990	1.9
71.01386	38.8
72.99273	0.9
73.02946	11.1
83.01390	6.4
85.02960	17.2
87.00877	4.0
89.02455	13.7
93.81757	1.0
95.01391	2.6
97.02913	0.9
99.00871	3.0
101.02454	30.9
103.45237	0.8
113.02471	14.4
116.29232	0.9
119.03522	8.5
121.02976	2.9
121.37897	0.8
122.03758	18.0
123.04585	4.9
125.02407	1.2
131.03508	2.6
135.04541	1.2
136.01654	1.3
137.02452	2.0
137.06094	2.7
143.03511	1.2
154.02710	0.9
156.25052	1.0
159.02979	2.2
161.02440	2.8
161.04568	6.1
163.03984	2.1
164.04807	3.8
179.05692	1.6
179.07112	7.0
182.05836	33.3
183.06111	2.1
197.08191	100.0
198.08537	7.3
327.10812	2.7
359.13492	44.8
360.13916	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	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94609	0.7
55.01874	1.4
55.12893	0.8
55.77651	0.8
57.03456	2.0
58.00605	4.1
59.01384	100.0
60.01720	1.1
60.64868	0.7
69.71555	3.1
69.71965	1.6
71.01389	59.2
72.01710	1.0
72.99322	4.7
73.02965	1.7
79.19167	0.8
83.01396	3.1
85.02962	12.1
87.00886	2.5
89.02450	60.8
89.70447	0.8
93.73904	0.7
95.01407	4.3
98.19922	1.4
101.02449	38.1
109.03004	1.0
113.02460	21.8
114.02734	0.9
119.03506	24.3
121.02976	2.1
124.59845	0.8
131.03566	2.6
138.01958	7.0
138.02766	0.7
143.03551	1.4
144.77530	0.7
149.02455	15.7
149.04535	1.5
150.28978	0.8
161.04668	1.5
164.04802	17.8
165.05190	1.1
167.03583	0.9
179.05692	1.6
179.07141	31.9
180.07536	1.9
182.05879	2.6
197.08232	2.8
273.07648	0.7
290.25198	0.9
359.07892	2.3
359.13342	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	359.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.3
64.51318	1.4
69.03458	6.2
69.43629	10.9
71.01380	7.9
73.02953	1.8
83.01384	1.6
85.02962	1.9
87.00879	2.7
89.02448	4.7
93.03460	51.1
94.03804	2.1
97.02943	2.8
99.00897	1.8
101.02453	12.3
103.52517	1.4
109.02958	3.1
110.02509	1.7
113.02438	3.1
119.03491	3.1
120.99666	3.0
121.02930	1.5
123.04508	1.9
131.03499	1.3
135.04514	1.6
137.02444	100.0
138.02754	5.3
148.02319	1.3
149.02402	1.5
151.03981	5.8
153.01898	2.3
155.15979	1.2
164.04726	1.6
166.06345	1.3
173.06076	1.8
179.03461	5.6
179.07129	2.1
181.01385	5.2
182.02141	4.4
185.00911	2.8
189.75644	1.3
197.04530	5.3
221.44043	1.3
239.05818	1.9
299.04681	1.8
344.12546	2.6
359.06583	6.1
359.14804	5.2
359.20819	1.8
360.11023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03430	1.2
58.00581	3.9
59.01379	100.0
60.01724	1.2
61.98817	2.2
70.07369	4.8
71.01383	64.1
72.13107	0.9
72.99300	5.2
73.02938	2.5
75.10740	1.0
83.01382	3.2
85.02948	10.5
87.00872	3.0
89.02444	65.2
95.01366	3.6
98.20564	1.4
101.02445	37.3
113.02454	22.2
114.02746	1.0
119.03503	26.5
119.04892	1.2
121.02948	1.9
121.27225	1.1
125.02386	1.4
131.03471	2.6
137.02393	1.8
137.06068	1.5
140.01138	3.6
143.03558	1.7
149.02443	14.9
149.04567	1.5
155.03444	3.6
161.04553	1.5
164.03481	1.4
164.04796	19.3
167.03481	1.2
179.05634	2.6
179.07118	34.1
180.07520	2.1
182.05824	1.4
197.08163	3.1
207.39923	0.8
333.92697	1.0
359.07846	2.1
359.13089	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	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91977	0.4
52.99097	0.4
57.03445	3.0
58.00595	0.5
59.01382	7.2
61.98818	0.8
65.00318	2.5
67.01878	1.7
68.99809	2.6
69.31787	4.0
70.60681	0.4
71.01385	4.8
72.99300	0.6
81.03448	2.3
83.01387	16.0
84.01707	0.4
85.02941	1.5
87.00871	0.9
88.04124	0.4
89.02441	3.5
91.01880	0.6
93.03475	0.5
94.02994	0.9
95.01419	0.8
97.02963	0.4
98.20667	1.0
101.02443	2.6
101.31927	0.4
107.00729	0.5
107.01376	3.0
109.02951	7.5
111.00873	1.6
113.02448	1.4
116.85600	0.4
119.03550	1.0
121.02984	0.8
122.03788	0.6
123.00889	4.0
123.04515	1.0
124.04026	2.3
125.02448	40.0
126.02827	0.6
133.03011	0.5
133.92955	0.4
135.00893	0.5
135.04536	0.8
137.02467	1.3
137.06122	0.8
138.01987	1.5
138.03226	5.7
139.03989	0.5
146.03740	0.9
149.02426	2.8
151.00369	14.8
151.04031	0.5
152.00868	0.6
153.01936	100.0
153.05554	1.7
154.02278	4.9
154.05026	0.8
161.02440	0.8
161.04648	0.6
164.04823	0.8
166.94516	0.4
166.99869	1.2
167.03513	1.2
169.01453	0.6
177.01921	3.0
178.99837	4.8
179.03462	1.3
179.07111	1.7
182.02232	4.7
182.05898	0.6
195.02986	1.9
195.06660	0.6
197.04532	11.5
197.08180	2.1
233.58377	0.4
257.07822	3.9
287.07739	1.6
315.07208	9.0
316.07446	0.7
341.05148	1.4
359.06229	8.9
359.10583	2.8
360.06369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0407
Annotation	3,3',4-Tri-O-methylflavellagic acid
Peak:m/z	Relative Intensity
51.04309	0.6
58.78228	0.5
59.01382	5.8
61.98828	2.3
64.72292	0.6
65.00332	2.9
65.55693	0.5
68.99834	0.8
71.01380	3.2
74.03267	0.5
83.01393	0.8
89.00389	0.7
89.02438	2.6
92.99822	27.1
94.00183	1.1
96.96016	0.7
97.02956	1.7
98.19823	1.0
101.02437	2.1
109.02927	1.4
109.85220	0.5
113.02442	1.4
116.54272	0.6
117.03401	0.7
119.03538	0.7
120.99664	1.2
121.02966	0.7
123.00876	1.9
123.04511	1.1
125.02460	3.1
125.03243	0.6
132.99307	0.9
134.00114	1.8
137.02429	2.3
138.03256	3.7
143.05035	0.8
145.06586	1.6
149.02454	0.6
149.99600	0.8
151.04001	3.2
152.04803	7.1
153.01938	0.9
153.05585	7.3
154.05988	0.6
155.05000	1.3
157.03072	0.6
158.27437	0.6
159.04514	2.5
160.98810	8.4
163.00345	1.1
165.01945	2.0
165.05627	0.7
167.05005	1.2
167.89027	0.6
169.02887	1.1
171.04501	1.0
173.06082	0.7
175.03926	0.7
177.98972	1.2
178.02705	15.0
179.03424	1.3
179.07059	0.8
182.03690	1.3
183.04497	4.7
185.02419	1.9
187.03995	3.1
188.98299	53.8
189.05507	1.2
189.98618	4.6
193.01436	2.3
196.03766	33.6
197.04330	2.7
197.08234	1.0
199.04005	1.8
205.98558	2.7
211.03987	12.9
212.04462	1.1
213.01868	0.9
215.03433	2.7
221.00909	100.0
222.01262	5.6
227.03479	1.8
231.02939	2.2
233.04587	0.6
237.02034	0.9
239.03502	4.1
243.03165	0.7
255.02914	2.4
269.04523	2.9
283.02466	2.5
285.57465	0.6
287.05600	0.9
327.01553	1.0
341.08978	0.9
344.12845	1.0
359.04092	51.9
359.09796	35.9
360.04517	6.7
360.09802	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	359.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03446	2.4
58.00583	2.7
59.01380	58.5
60.01705	1.3
61.55634	1.5
61.98827	4.3
66.75723	1.1
67.01917	1.5
69.03461	1.4
70.90708	2.7
71.01381	42.0
72.01718	1.2
72.99315	8.1
73.02947	3.5
74.99113	1.2
75.78542	1.1
75.78982	1.1
81.03426	1.6
83.01381	4.6
85.02948	10.8
87.00889	3.7
89.02444	32.5
95.01385	3.2
97.02992	1.4
99.00890	2.1
99.04520	1.0
101.02444	29.2
109.02946	2.9
111.00873	1.6
113.02447	13.8
115.00317	1.0
115.62912	1.0
119.03506	17.0
120.99640	2.1
121.02943	3.8
122.03801	1.9
123.00904	1.4
123.04527	4.7
124.01597	1.1
125.02475	6.1
131.03525	1.8
133.02908	3.2
135.04489	3.3
137.02455	10.0
137.06172	1.3
137.99606	2.2
139.04004	1.7
140.01108	1.8
143.03421	1.3
145.02963	1.3
147.04349	1.2
149.02438	8.6
151.03992	1.9
153.01956	3.4
153.05579	2.2
155.03479	1.9
161.02448	100.0
161.04579	3.5
162.02802	8.1
164.01180	1.3
164.04793	8.0
165.05545	2.0
167.03479	11.0
179.03558	6.4
179.05685	2.0
179.07130	18.2
181.01367	1.3
182.02303	1.7
182.05835	11.0
186.23636	1.0
188.98296	3.2
189.10251	1.3
191.03488	1.4
197.00919	3.0
197.04602	7.8
197.08167	25.4
198.08499	1.7
221.00824	3.6
231.41496	1.0
239.05785	1.2
253.08649	1.4
314.10452	1.4
315.18860	1.3
316.11819	1.4
327.10876	7.6
357.85956	1.0
359.09073	5.6
359.13538	6.5
360.10922	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	358.1299
Annotation	Lutessine
Peak:m/z	Relative Intensity
59.01370	1.9
61.98816	0.9
68.99943	0.7
69.09751	0.7
69.72459	0.5
70.71313	0.6
71.01398	1.5
71.63395	1.0
74.55004	0.7
89.02442	0.8
93.03472	0.9
95.05010	0.6
101.02452	1.1
107.05020	0.9
109.02963	1.2
114.28251	0.6
117.03488	1.0
119.05037	2.1
121.02950	2.5
122.03728	2.3
123.04544	6.2
124.01695	1.0
125.02424	1.2
133.02954	0.7
134.03712	2.3
135.04489	2.6
137.02502	1.4
145.02968	2.7
146.73219	0.6
148.04022	1.1
149.02463	7.2
149.04793	2.0
150.03249	8.0
150.05617	0.9
151.04024	10.4
152.07175	9.9
161.02516	0.7
163.04022	25.1
164.04808	42.4
165.05554	6.2
175.00319	0.7
175.02699	0.7
176.03529	2.6
177.01889	1.4
178.02682	0.9
178.05238	1.4
178.06378	22.5
179.07162	3.6
190.02661	1.8
191.03464	0.7
192.03026	10.9
193.03809	15.8
194.04597	11.6
205.03769	2.9
205.05103	2.8
206.04617	10.9
207.05057	1.5
208.06168	12.6
220.06183	6.3
299.09259	0.9
328.08414	1.5
342.09702	1.6
343.10623	32.7
344.10947	4.2
358.12967	100.0
359.13251	13.4
359.17133	0.7
359.20462	1.3
365.08640	0.6
381.70297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	13.5
61.98826	31.4
69.44790	100.0
84.02982	13.4
128.21373	10.8
152.46768	13.4
174.33228	10.7
250.89302	14.0
256.70132	13.2
358.20938	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15620	0.4
59.01382	84.6
60.01712	0.7
61.98833	3.1
65.06900	0.4
69.99599	2.4
70.77814	0.4
72.99310	2.0
74.10533	0.5
77.14527	0.5
82.49642	0.5
90.97124	1.1
98.19881	0.5
108.43588	0.5
114.98900	0.6
118.96661	0.6
125.15656	0.4
132.98213	1.5
144.41245	0.5
156.99957	1.9
157.03577	2.1
159.01509	1.7
174.99246	22.7
175.99605	0.8
178.58719	0.5
194.96364	0.5
197.63034	0.6
198.91913	0.7
201.02567	23.6
202.02742	3.5
217.00305	100.0
217.97894	0.8
218.00650	3.5
274.99597	1.9
275.99695	0.6
299.00974	1.1
317.00629	3.4
318.00735	0.8
359.01584	6.4
359.97656	0.6
360.01846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2284
Annotation	oscr#21
Peak:m/z	Relative Intensity
51.74815	0.9
57.03451	5.5
59.01366	2.1
61.98835	1.1
71.63111	1.5
111.08133	4.6
113.09715	1.1
113.65371	0.9
121.02966	5.7
125.09726	6.3
127.11288	2.8
135.04579	1.3
137.09705	1.8
139.11301	66.2
140.11659	2.8
153.12843	3.3
155.10727	2.3
159.10266	1.2
159.98682	1.3
173.11842	35.7
174.12181	1.9
183.10262	17.9
187.13393	2.7
197.11906	1.9
201.11339	19.3
215.12915	3.2
285.94482	0.9
295.22845	6.4
339.21924	6.3
346.11417	0.9
357.22897	100.0
358.23318	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	357.2648
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.83797	0.3
57.03454	0.3
59.01372	0.8
66.65948	0.3
68.67885	0.3
69.82128	1.6
87.00909	0.3
89.34097	0.3
93.46029	0.3
97.06569	0.4
107.30332	0.3
107.55985	0.3
109.13535	0.3
121.02950	0.4
125.09670	0.4
126.23874	0.3
129.31206	0.3
139.11301	0.8
141.12863	0.8
155.14383	0.4
185.11810	5.5
235.02197	0.3
287.50519	0.3
289.85077	0.4
297.24341	2.5
298.24820	0.4
309.24292	2.3
310.24731	0.5
311.25882	0.5
321.24454	0.4
325.23883	1.3
327.25388	18.6
328.25681	2.8
337.23822	0.3
339.25409	4.2
340.25775	0.6
355.24945	1.4
357.26465	100.0
358.26807	12.8
358.31406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86504	4.0
59.01383	79.2
59.96326	4.3
61.98829	99.8
67.41943	4.3
68.99567	35.0
70.43882	14.9
70.70566	4.9
71.01379	48.1
71.05019	5.4
72.99328	4.4
73.02961	9.3
75.00864	16.2
79.77518	4.0
85.02963	12.1
87.00858	8.7
88.70258	4.4
89.02444	100.0
90.88852	4.0
101.02451	29.2
108.02169	54.2
110.02486	4.2
112.98562	52.3
113.02438	22.0
115.84486	4.3
119.03514	21.2
123.04519	53.0
123.19553	5.0
124.04022	8.4
134.06149	11.9
143.03452	5.2
161.04539	12.4
167.03525	7.9
179.05566	10.2
257.07748	12.2
297.12021	27.4
314.12473	11.0
357.08582	56.9
357.12967	9.7
358.08475	8.7
358.12756	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	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.27150	0.6
57.03442	3.1
58.00600	4.5
59.01382	100.0
60.01720	1.2
69.03447	1.1
69.75931	3.4
70.15018	0.7
71.01385	95.4
72.01707	1.3
72.99306	5.5
73.02948	11.5
74.02480	0.7
74.46952	0.6
75.00877	1.3
83.01398	8.0
85.02951	26.7
87.00897	3.8
89.02444	71.6
90.02761	1.4
95.01385	8.3
97.02928	1.9
99.00905	5.1
101.02448	49.0
109.06499	0.6
113.02451	39.2
114.02760	1.6
119.03503	29.7
120.03819	1.1
123.00876	0.7
125.02418	2.7
131.03459	2.9
133.10233	1.1
137.02409	1.1
143.03526	4.8
145.59155	0.6
149.04497	2.2
149.09804	0.8
159.03000	3.4
159.04094	0.9
161.04556	25.4
162.04854	1.3
177.09207	24.5
178.09502	1.7
178.32660	0.7
179.05659	5.9
180.04283	3.3
180.05664	0.7
187.48044	0.8
195.06488	2.6
195.08141	0.6
195.10278	5.6
205.03488	0.9
219.02866	0.7
237.15472	0.6
237.68987	0.8
357.06439	1.1
357.11469	2.3
357.15128	9.9
358.15494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40430	0.6
57.03450	0.9
59.01382	18.2
61.98861	0.6
71.01385	12.5
71.11697	0.7
72.99335	1.0
73.02945	2.2
81.50559	0.5
83.01383	1.5
85.02953	3.4
87.00886	3.9
89.02444	8.4
89.02982	0.7
89.93819	0.6
95.01413	1.1
97.02981	0.7
99.00899	0.9
101.02416	4.9
108.02172	8.7
109.02968	9.0
113.02438	3.3
117.03457	0.8
119.03499	2.5
121.02984	0.7
122.69083	0.6
123.00894	3.7
123.04520	9.8
124.01645	3.7
130.08800	0.7
133.02998	0.6
134.03740	4.8
136.01645	0.8
137.02434	0.6
147.04494	0.7
150.06828	0.7
151.04005	0.9
152.01176	2.0
153.01869	0.7
161.02426	1.8
162.03229	31.7
163.03925	3.2
163.07564	1.0
164.04735	4.4
177.05568	9.8
177.38448	0.5
178.02722	1.0
179.03503	13.3
179.05095	0.7
179.07150	2.2
180.04291	11.3
181.04799	1.4
193.05009	1.6
195.02856	0.7
195.06622	19.1
195.10201	0.9
196.06909	0.9
209.04562	0.8
325.78345	0.7
342.09570	6.3
343.10144	1.3
357.11914	100.0
358.12296	14.3
358.19662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2852
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
57.03445	0.7
63.64140	0.3
66.20662	0.4
69.46031	2.9
70.68070	0.3
73.59731	0.3
97.04409	0.4
132.64020	0.4
265.25314	0.6
291.27020	0.5
293.28506	71.4
294.28830	11.1
310.55585	0.4
311.29630	2.3
337.27484	17.6
338.27853	2.6
355.28525	100.0
356.28857	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	355.3218
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
51.47844	0.4
59.51456	0.5
70.14716	1.5
79.68339	0.4
155.49165	0.4
199.00688	1.5
309.31665	4.2
310.31940	0.6
337.31134	1.4
353.30457	0.6
355.20129	2.6
355.32175	100.0
356.32516	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.74300	2.1
67.00743	2.5
69.72987	14.0
110.51559	2.3
121.02944	4.8
312.09760	2.4
356.25211	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48694	0.5
59.01379	23.9
61.73535	0.5
61.98814	0.6
71.01382	4.4
71.62269	0.5
73.02939	1.2
85.02943	1.8
87.00853	0.7
89.02444	3.8
95.01376	0.6
101.02453	2.7
101.02980	0.5
108.02176	4.3
109.02949	1.4
111.00884	0.5
113.02430	1.9
113.26311	0.5
115.00327	0.4
119.03492	1.7
119.04995	2.1
121.02946	1.9
123.04537	3.8
124.01656	1.5
125.02425	1.2
130.08730	0.7
133.06551	0.6
134.03732	1.7
135.04530	9.6
136.05316	11.4
137.05737	0.7
143.11873	0.8
150.03204	1.0
151.04074	2.8
151.07645	3.2
152.01125	0.9
152.07140	3.9
162.03258	6.7
162.69930	0.5
163.03972	0.5
163.22960	0.5
164.04825	0.8
177.05589	5.6
179.03514	2.6
180.04280	2.1
195.06624	100.0
196.06985	7.6
226.05547	0.8
270.14505	0.8
294.84705	0.5
340.01215	0.6
357.08154	1.3
357.11966	16.1
358.12354	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
60.93166	1.0
62.29691	1.0
62.86570	0.9
71.62106	1.6
81.21258	1.0
163.11298	2.7
210.13210	1.2
231.85605	1.1
265.12228	2.5
280.14731	4.9
307.16934	2.3
337.21735	100.0
338.22079	14.7
355.19366	2.0
355.32245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.79362	0.8
70.39460	0.9
70.39822	3.4
84.32303	0.8
85.02955	2.0
88.69574	0.9
92.16067	0.9
107.05000	1.2
109.02955	2.4
111.00867	1.9
122.03741	10.1
135.04538	28.2
136.01662	2.0
136.04893	1.1
147.08170	3.3
149.09724	7.6
151.07668	2.3
154.02774	2.2
155.10733	1.6
161.09673	7.7
163.07637	3.4
163.11296	51.9
164.08432	17.0
164.11664	3.6
165.09218	9.1
177.09218	69.6
178.09972	21.9
179.10783	74.8
180.11131	5.3
183.10313	2.1
187.11324	1.3
191.10782	13.8
193.08704	11.3
220.51445	1.0
238.58482	0.9
265.12360	1.3
280.14774	2.3
298.15744	53.0
299.16135	4.8
307.16989	2.2
309.22211	1.6
313.21725	1.6
337.17633	1.6
337.21765	47.2
338.22003	8.1
340.20444	78.9
341.20758	13.7
355.22803	100.0
356.23108	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
52.15381	1.0
53.04449	0.9
59.01387	5.6
61.98806	1.7
64.77473	1.1
71.05008	1.4
71.62833	1.7
75.10706	1.2
97.06593	2.4
125.09749	2.0
139.11264	2.9
221.79770	1.2
227.16560	2.6
239.16505	1.3
277.08362	1.2
281.93365	1.1
295.22827	3.8
307.22769	2.9
310.61441	1.2
314.77637	1.3
325.23853	19.8
326.24185	3.3
337.23779	3.0
355.24908	100.0
356.25262	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	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52641	3.2
57.03445	4.2
59.01376	10.3
61.98841	100.0
63.27174	3.5
69.32779	3.3
70.34645	11.3
71.01359	3.6
72.99306	7.6
75.00866	11.5
82.67574	3.1
83.05000	4.0
87.70204	3.0
246.19368	3.9
248.21175	16.3
266.22089	15.9
290.22137	6.2
291.12311	6.3
292.23550	4.9
293.21143	10.2
310.20963	12.1
310.24628	6.9
353.23111	7.8
354.19894	44.6
354.23596	45.4
355.21097	26.9
355.25101	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0886
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
55.01870	3.6
57.03445	7.0
59.01088	2.9
59.01379	47.1
67.01896	2.3
68.99833	2.5
69.03457	3.6
70.50396	5.6
71.00989	3.4
71.01384	67.6
72.99308	37.7
73.02538	2.2
73.02948	42.9
75.00871	14.9
78.95893	4.1
83.01395	7.9
85.02952	77.9
86.03282	2.8
87.00874	35.3
89.02441	21.9
95.01379	16.5
97.02930	2.0
98.20583	2.2
99.00884	17.2
101.02449	34.7
103.00375	6.8
103.04025	1.8
105.01923	2.3
106.78568	1.5
111.00911	2.1
112.18389	1.6
113.02451	100.0
115.00363	7.9
119.03473	8.4
120.68842	1.6
123.09401	1.7
125.02431	3.5
129.01961	12.0
131.03503	35.5
134.61433	2.1
135.03015	2.6
143.03520	2.9
157.01456	12.0
159.03003	4.3
161.04559	15.7
162.96506	3.5
165.04028	3.0
167.06364	1.8
175.02467	48.6
179.05595	10.9
193.03529	4.6
207.01755	5.2
221.06662	5.7
235.04707	2.5
259.76038	1.7
265.05637	77.6
266.05988	3.1
273.03906	2.1
279.25604	1.7
285.53851	2.2
293.09244	2.1
295.06729	3.7
337.04376	2.3
337.07947	3.7
355.08817	82.4
356.09128	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	355.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29925	1.8
58.00609	2.2
59.01382	100.0
61.98830	51.3
65.01767	1.6
71.01385	37.0
71.32377	4.4
72.99298	6.1
73.02949	6.9
75.00880	4.4
83.01393	4.5
85.02964	15.3
87.00859	5.4
89.02452	33.4
94.24423	2.0
95.01378	5.1
97.02957	2.1
98.02468	2.0
99.00877	2.4
101.02445	30.2
109.02956	2.4
112.29328	2.5
113.02457	20.2
119.03506	10.9
133.08675	3.8
134.03741	2.8
142.53790	1.9
143.03482	4.8
150.05638	2.0
152.03452	2.2
161.04587	23.0
172.90254	2.0
176.07204	13.3
179.05594	3.2
193.05093	4.1
194.08170	3.0
212.66005	1.9
241.09218	2.7
295.13971	68.2
296.14505	2.4
355.10861	3.5
356.13556	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.8
59.01383	100.0
60.01713	1.3
60.31554	0.5
61.98818	0.7
70.21015	2.4
71.01388	3.9
72.99317	0.6
73.02969	1.6
73.25405	0.6
85.02966	2.3
87.00886	0.9
89.02446	1.1
98.20564	0.7
99.08274	0.6
101.02441	3.3
111.00875	0.8
111.87933	0.5
113.02489	1.8
122.39969	0.6
159.03137	0.5
161.04599	2.1
165.05626	0.8
177.79752	0.5
191.03511	2.3
191.05571	1.0
221.64384	0.6
233.04547	1.4
236.03476	2.7
237.04248	2.6
252.02716	1.2
264.02890	1.2
265.03806	47.8
280.06161	21.5
280.09277	1.0
293.16071	8.8
293.19098	0.7
294.16452	1.1
295.04764	3.6
353.04959	4.3
353.08838	1.0
353.16919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16182	0.7
75.00887	1.0
79.95744	11.6
80.96520	0.9
81.86317	0.7
83.61297	0.7
93.75079	0.8
94.98074	0.9
95.95222	2.2
96.96011	79.5
98.20658	1.4
106.15839	0.6
122.97575	3.7
156.27600	0.7
162.45940	0.7
183.01248	3.3
229.98938	0.7
257.38065	0.8
269.21085	0.7
279.96182	0.8
353.19998	100.0
354.20328	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
75.00854	0.3
79.95737	0.7
81.65155	0.2
94.98064	0.2
96.96009	7.1
107.05019	0.4
111.32554	0.2
122.97552	0.5
147.08162	0.4
148.08882	0.2
161.06126	0.3
163.11285	94.8
164.11618	6.7
169.60428	0.2
170.30922	0.2
177.09206	73.6
178.09546	5.7
190.10036	0.2
222.09023	0.6
353.21158	100.0
354.21518	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3061
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
50.87288	0.3
51.08579	0.3
57.03444	0.7
71.25777	0.3
71.26112	0.4
79.95753	0.4
89.59696	0.3
90.66293	0.3
94.54993	0.3
96.96021	2.6
106.20095	0.3
129.75537	0.3
176.97981	0.3
191.05673	0.3
293.28668	1.4
303.16248	0.3
309.31808	1.1
353.20203	2.7
353.30594	100.0
354.30930	15.4
354.35400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0619
Annotation	Aristolochic acid III methyl ester
Peak:m/z	Relative Intensity
52.06374	0.5
59.01377	2.6
69.67843	3.6
70.66659	0.5
82.00329	0.5
98.20634	1.1
98.81949	0.5
115.89985	0.5
159.12427	0.5
181.05373	2.1
198.20496	0.5
236.03499	4.0
237.04262	4.3
247.39374	0.5
249.04243	0.7
264.03052	2.4
265.03799	100.0
266.04132	10.9
280.06140	43.8
281.06421	4.6
295.04852	4.7
296.05045	0.8
373.20950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20992	1.2
55.97363	1.2
56.89351	1.0
61.98831	100.0
63.76769	1.1
69.40428	9.7
74.68078	1.2
105.72729	1.2
108.44199	1.1
126.95471	1.1
215.18272	1.1
223.02888	1.4
235.02740	3.0
236.03516	2.8
239.02122	1.5
248.03439	2.1
249.04335	2.2
250.05089	6.6
251.02284	4.0
278.04590	12.3
279.04901	1.4
294.04105	1.6
352.04556	10.7
353.05136	1.8
360.01990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73141	0.8
61.98517	1.4
61.98833	26.6
69.56671	3.8
70.53828	0.8
75.24533	0.8
83.11517	0.7
91.41093	0.7
105.14819	0.7
113.06937	0.7
123.46739	0.8
168.04503	1.1
176.05142	1.1
178.06599	1.1
192.04503	1.3
194.06093	4.3
204.04536	1.0
205.05363	1.4
206.06029	1.1
220.04036	2.3
221.04787	4.2
222.05565	8.5
223.06038	0.8
234.05640	1.1
236.03526	0.9
248.03539	5.5
249.04283	14.8
250.05084	54.8
251.02211	2.1
251.05421	5.6
276.03040	3.3
277.03644	1.3
278.04578	100.0
279.04962	10.1
352.04681	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	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60896	1.3
54.90553	1.1
59.01387	8.1
61.98831	100.0
69.80685	6.9
71.01350	1.8
75.72787	1.1
86.60361	1.2
103.54810	1.0
119.04826	1.1
132.80193	1.2
205.04997	4.0
220.18024	1.1
233.04507	2.8
256.75052	1.2
336.27713	1.3
352.04663	1.3
352.12140	1.6
353.08676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
59.01094	0.3
59.01384	4.6
60.36235	0.2
67.01899	2.3
68.99556	0.3
69.03468	0.2
71.01379	2.6
71.60841	0.3
72.99296	0.7
73.02950	0.5
74.99132	0.3
75.00876	1.0
80.96502	0.5
83.01408	0.4
83.05013	0.3
85.02961	2.1
87.00880	9.6
89.02462	1.5
96.96042	0.3
99.00878	0.7
101.02451	1.7
109.02940	0.2
111.00885	100.0
112.01217	3.6
112.98619	0.2
113.02453	1.3
115.03981	0.3
117.01904	0.3
119.03520	0.6
129.01936	0.9
129.05618	0.5
131.03497	1.1
139.03998	0.3
141.00612	0.2
143.03473	0.4
149.04604	0.3
154.99922	0.5
161.04515	0.4
165.04010	0.4
172.99402	0.5
173.00916	10.3
173.04518	0.7
174.01286	0.5
179.05588	0.3
190.29829	0.3
191.05617	3.5
193.98518	0.2
195.05099	0.3
293.08917	0.6
294.79889	0.3
342.89490	0.2
353.07175	2.9
353.10901	3.2
354.07593	0.4
354.11655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
55.56811	0.4
57.03446	3.1
58.00581	0.9
59.01378	23.1
69.03452	0.7
69.71045	0.5
70.11334	1.3
71.01381	31.2
72.01736	0.7
72.99307	0.8
73.02952	11.8
75.00847	1.1
83.01389	6.3
85.02947	16.1
86.94678	0.5
87.00876	1.3
89.02445	5.0
95.01414	2.6
95.94656	0.6
97.02942	0.7
99.00890	5.1
101.02446	29.9
102.02778	1.0
113.01606	0.4
113.02447	12.3
119.03508	0.9
129.01942	0.9
131.03482	1.1
143.03488	1.4
159.02977	2.7
161.04555	14.3
191.05544	1.3
205.03508	0.6
221.10291	100.0
222.10641	5.9
312.73795	0.7
353.14505	8.7
354.14929	1.4
379.01413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29663	0.8
59.01381	100.0
60.01720	1.1
61.98836	10.6
71.01400	7.0
71.38964	0.8
73.02949	1.5
73.90043	0.7
83.01402	0.9
84.73925	0.6
85.02959	2.2
87.00876	1.4
89.02438	5.7
99.04546	1.6
101.02415	4.4
113.02477	2.4
115.03999	0.8
116.73332	0.7
119.03542	3.1
122.06184	0.9
126.16273	0.7
138.05734	0.8
145.20540	0.8
153.01970	1.5
161.04543	1.7
166.05109	1.0
171.06738	0.8
171.10283	1.8
179.05562	1.1
189.11382	1.2
219.07715	1.3
291.14468	2.0
307.12906	4.9
309.04605	0.7
315.11270	0.8
333.15665	1.6
333.19348	0.9
351.12015	6.4
351.16626	8.3
351.20438	3.4
352.16638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20643	0.8
61.98832	24.0
69.75140	4.6
79.13444	0.8
94.45432	1.0
98.20587	1.7
106.96022	1.0
118.69522	0.9
144.46977	0.8
147.61777	0.8
194.06117	5.1
205.05339	1.1
220.04031	3.3
221.04837	4.5
222.05591	9.5
234.05594	1.3
236.03569	1.0
238.01518	0.9
248.03603	5.6
249.04272	13.8
250.05075	53.8
251.02731	1.0
251.05414	5.8
260.61026	0.8
271.51694	0.8
276.02994	4.8
277.03683	1.0
278.04575	100.0
279.04892	11.5
294.03998	0.9
320.26947	0.9
352.04626	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	350.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60937	0.2
59.01388	1.7
71.01379	0.9
71.61346	0.3
78.95903	1.6
85.02962	0.3
89.02447	0.8
95.05068	0.2
101.02445	1.0
110.98544	1.3
111.00894	0.3
113.02403	0.3
114.09263	0.3
119.03555	0.4
124.91374	0.2
127.03955	0.2
128.03584	1.1
131.57263	0.2
142.08672	0.4
144.04556	100.0
145.04912	6.1
188.09294	0.5
196.17384	0.2
200.05617	0.7
306.09866	0.8
350.14694	0.8
351.09393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14930	1.2
59.13868	0.9
61.98836	100.0
66.56770	1.0
69.99728	2.2
70.00145	4.5
70.26360	1.3
71.61063	1.1
85.75666	1.1
90.51747	1.0
98.64703	1.2
101.01274	1.0
147.42940	1.1
351.21762	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59555	0.6
55.01889	1.2
57.03451	41.2
58.03796	0.8
59.01383	100.0
59.68830	0.6
60.01715	1.3
60.75888	0.7
61.98845	1.5
63.51524	0.7
71.01390	11.0
71.44527	0.8
72.99329	0.8
73.02944	3.6
81.03492	0.9
83.01399	2.0
85.02956	5.9
89.02452	3.6
90.51171	0.6
95.01381	0.8
99.00881	1.6
99.04524	28.3
100.04835	0.6
101.02455	16.0
101.03080	1.1
113.02437	3.4
118.96193	0.6
119.03526	1.5
125.02451	8.0
143.03479	0.8
143.97559	0.7
153.01952	1.5
159.03029	1.0
161.04570	5.6
170.71414	0.6
175.02679	0.8
179.05669	0.6
207.08734	16.9
215.03485	1.1
233.04556	0.7
244.82648	0.7
249.09839	1.1
285.55042	0.6
289.12357	1.1
291.14520	4.5
307.13022	3.1
351.12341	2.9
351.16754	3.4
351.20328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01382	100.0
61.98848	1.2
65.77502	1.0
70.95718	2.0
71.01385	18.3
73.02939	4.0
83.01379	1.6
85.02959	4.3
87.00874	2.1
89.02439	16.5
95.01364	1.4
99.00854	1.6
99.04500	1.8
101.02441	10.7
111.04512	1.3
113.02438	7.5
119.03513	5.2
125.02377	0.8
129.05586	6.6
144.04544	3.9
145.04892	3.7
153.88921	0.9
161.04549	5.2
171.06654	1.0
175.02771	1.9
179.05580	5.2
189.07629	1.9
190.05051	3.1
274.66959	1.0
275.59848	1.0
291.10852	6.4
351.12772	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01881	1.8
56.60153	0.9
57.03436	3.5
57.46372	0.9
58.00586	3.2
59.01380	100.0
60.01705	1.1
61.98829	22.3
69.03426	1.8
70.20023	3.6
71.01385	80.1
72.01737	1.0
72.99311	6.4
73.02953	8.2
83.01389	6.9
85.02957	20.3
86.03273	1.1
87.00861	4.0
87.04501	1.3
89.02447	74.8
90.02796	1.3
95.01405	6.3
98.19949	1.2
99.00854	3.0
101.02447	53.0
107.91824	1.0
113.02456	32.6
119.03509	29.8
119.04355	0.6
125.02482	1.9
131.03459	2.8
134.03616	6.4
136.07640	1.1
137.03587	1.0
141.09183	0.9
143.03506	7.8
146.03619	1.4
149.04546	2.3
159.02950	2.9
161.04552	19.1
169.08586	1.7
172.46986	1.0
176.04628	2.0
179.05580	9.4
184.64833	0.9
185.11852	1.2
187.13370	11.7
190.90889	1.0
192.04153	1.4
277.70959	1.0
287.11383	1.9
305.12436	3.7
349.07306	1.8
349.11044	5.7
349.15033	1.3
349.18539	15.6
349.22372	1.7
350.19073	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	349.2382
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
55.51497	1.1
57.03440	3.3
58.00584	2.4
59.01383	10.3
69.03440	1.3
71.01383	21.4
71.64248	1.0
72.99310	2.5
73.02950	8.5
75.00875	100.0
76.01218	1.2
83.05022	4.7
85.02954	2.7
85.06578	1.5
89.02467	2.7
96.95986	2.1
97.06593	1.3
111.08234	1.2
125.06069	1.3
139.07698	2.3
257.19113	4.5
258.19205	1.2
259.20728	1.5
265.14694	2.4
273.22290	10.5
275.23700	1.3
277.21735	18.4
278.21921	1.3
287.20413	1.3
287.23761	3.7
289.21658	4.4
291.23233	7.1
301.18436	2.0
301.21701	5.5
303.20157	1.3
303.23264	7.6
305.21262	1.6
305.24899	1.2
319.22784	41.2
319.26633	2.4
320.23059	6.6
331.22742	21.5
332.22977	4.3
349.20123	7.1
349.23779	31.8
350.24161	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	349.2387
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
53.42577	0.8
56.30349	0.8
57.03446	3.0
58.00589	1.8
59.01384	8.8
69.03432	0.8
71.01385	21.1
72.99311	3.4
73.02957	8.7
75.00880	100.0
76.01225	0.9
78.91891	1.5
80.91677	4.2
83.01390	1.2
83.05035	1.5
85.02956	1.6
87.00863	1.2
89.02435	2.2
96.96020	1.3
97.06593	0.8
99.04558	0.9
103.87258	0.8
111.00917	1.0
111.08126	0.8
115.79197	0.7
125.06118	1.5
139.07713	2.1
153.12831	0.8
205.19659	0.9
209.93425	1.0
261.22235	1.2
265.14682	1.1
273.22363	2.6
275.23672	1.5
277.21729	17.5
278.22073	2.1
287.23795	2.3
289.21729	3.5
291.23312	6.0
301.21722	2.4
303.23312	7.4
305.21194	3.1
319.22800	31.3
320.23264	5.7
331.19449	0.8
331.22769	19.3
332.22989	3.2
348.91812	9.3
349.20099	6.5
349.23843	24.2
349.92032	1.0
350.20392	0.9
350.24243	3.1
366.05081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	41.4
60.01733	2.8
61.98834	100.0
62.88593	1.9
62.91677	2.0
63.12985	1.9
65.86671	1.9
69.67499	11.4
71.01389	26.3
72.01727	5.2
72.99285	2.3
73.02979	1.9
83.01367	2.3
85.02970	5.5
89.02452	21.7
90.02780	3.5
94.33159	1.5
98.19778	3.0
101.02438	15.8
102.02802	3.6
113.02470	8.6
114.02757	4.1
119.03516	7.7
122.06123	2.6
138.05704	1.8
144.04556	2.3
152.03575	2.2
161.04576	3.5
164.07216	3.5
166.05103	2.9
167.05959	3.0
174.95636	1.8
188.13802	2.2
231.11720	1.8
289.11856	2.9
307.12982	8.6
350.06787	1.9
350.12143	2.9
350.18185	3.4
351.12033	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	350.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54885	0.2
56.13438	0.3
70.80744	0.8
119.17260	0.3
144.04555	100.0
145.04900	5.4
165.47169	0.3
224.14253	0.3
250.94444	0.3
291.30420	0.3
306.09900	0.7
355.02640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01792	0.4
59.01366	0.5
61.98831	100.0
62.98532	0.5
63.99261	1.1
64.02686	0.4
71.09525	0.8
97.35197	0.4
116.86761	0.4
127.98381	0.4
129.92285	0.5
162.98511	1.1
171.07480	0.5
204.00006	1.8
205.00102	4.9
205.99709	6.0
206.97443	65.0
207.97597	5.1
277.36752	1.2
277.86545	2.3
278.36761	1.0
278.86111	0.5
283.40427	0.5
290.26642	0.4
317.34476	0.6
317.84521	1.0
348.31854	1.5
348.81525	2.1
349.31723	2.3
349.81580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03425	1.4
59.01099	1.4
59.01382	21.9
61.98843	7.2
65.99846	1.2
69.32920	1.0
70.54004	0.9
71.01385	23.9
71.61968	1.1
72.99316	1.6
73.02937	4.8
81.73898	0.9
82.02961	1.7
82.83258	0.9
83.01376	2.6
85.02959	7.6
86.02459	0.9
87.00846	2.2
89.02445	12.8
95.01389	2.3
99.00910	1.9
101.02445	12.7
106.06602	1.9
113.02454	8.3
119.03475	3.7
131.03577	1.2
135.04500	0.9
138.05617	1.4
144.04535	1.2
146.04819	1.5
160.06419	9.4
161.04568	5.2
161.07179	5.7
164.03545	1.8
169.08693	3.4
171.05609	1.4
171.09949	0.9
173.07210	9.4
179.05562	1.4
185.07216	3.0
186.07970	8.6
187.08662	9.2
187.13397	1.4
188.09270	1.5
189.06647	1.3
190.07336	2.0
190.08888	1.2
191.04630	1.9
191.08273	4.0
199.08649	1.8
200.09477	3.1
201.10341	26.3
202.10889	4.5
203.08260	1.4
213.06750	7.6
213.10300	4.7
213.13927	1.4
214.07047	1.6
214.10976	1.0
216.12579	1.6
217.06209	1.3
218.11848	3.3
227.08420	1.1
227.50262	0.9
228.09070	2.3
229.09775	2.6
231.07756	1.6
231.11417	11.1
231.14980	23.3
232.15312	2.1
233.09256	6.7
239.11914	1.5
241.09908	1.7
243.14977	6.5
244.04865	1.5
245.09431	1.3
245.12827	1.3
255.11444	2.0
257.12946	49.3
258.10199	1.7
258.13223	4.3
259.07141	4.0
259.10684	1.8
259.14493	1.7
261.16083	17.8
262.16281	1.2
267.11124	1.0
269.12921	5.0
271.07025	1.4
283.10928	3.1
285.12308	1.4
287.10510	5.8
287.13965	65.7
288.14304	6.5
301.11642	1.5
305.11627	1.5
305.14975	8.7
313.11902	10.6
331.09518	4.9
331.12973	87.7
332.13269	10.0
349.10355	6.9
349.14114	100.0
350.10596	1.6
350.14404	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	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01878	4.2
57.03458	4.4
58.00602	3.4
59.01382	73.3
60.01720	0.9
61.98818	0.6
69.03453	1.2
71.01385	100.0
72.01733	2.0
72.99312	4.6
73.02950	19.1
74.03252	0.5
74.99114	2.6
75.00889	0.8
80.96522	1.2
83.01386	8.7
84.02196	0.6
85.02954	34.5
86.03294	0.7
87.00885	3.3
89.02448	46.9
90.02787	0.8
91.02888	0.5
95.01387	7.0
97.02969	2.1
97.06613	0.5
99.00882	8.2
99.04494	0.7
101.02446	57.8
102.02785	1.1
111.00906	0.6
113.02455	39.3
114.02771	1.2
119.03505	20.7
120.03843	0.5
122.06075	0.5
123.76781	0.5
125.02460	2.3
125.06120	0.5
129.01955	0.9
131.03505	2.0
136.99142	1.7
137.02429	0.5
143.03494	5.7
149.02399	0.7
149.04567	1.2
150.05663	0.7
159.03008	6.5
161.04561	47.2
162.04880	1.9
168.06593	1.3
171.35660	0.5
179.05615	3.3
185.11740	0.7
205.03479	1.5
251.41946	0.5
285.12512	0.6
287.18579	1.2
306.37140	0.6
333.86179	0.5
347.08087	0.7
347.12631	1.8
347.17062	15.6
348.17426	1.4
364.00626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54379	1.4
55.01867	4.8
57.03444	6.1
58.00591	3.4
59.01382	79.4
61.98819	3.1
69.03449	2.2
69.50330	2.5
69.50742	9.1
71.01385	100.0
72.01723	2.8
72.99316	6.4
73.02948	28.4
75.00903	2.4
79.95721	1.6
80.96519	4.3
82.96116	3.6
83.01388	12.6
85.02953	40.6
86.27867	1.3
87.00867	7.5
89.02444	46.6
95.01377	7.4
95.05050	2.0
97.02934	3.7
97.06573	4.7
99.00874	9.3
99.04501	2.0
101.02446	70.4
103.61294	1.3
109.02927	2.1
110.06163	2.8
111.04584	1.5
113.02451	36.8
113.06106	1.6
115.07686	2.6
119.03502	18.8
122.06093	2.2
123.00865	1.7
123.04578	2.7
125.02438	4.2
130.08740	7.7
131.03494	2.5
137.02423	1.8
139.04027	1.6
143.03500	7.0
145.05055	1.9
148.16856	1.4
149.04536	1.6
149.09727	3.3
150.05620	1.7
151.03915	1.6
159.02974	6.5
161.04555	50.4
161.35915	1.3
175.04071	1.7
179.05608	3.5
185.11768	4.6
189.06630	1.4
235.08240	4.9
259.14505	2.7
267.11481	1.4
277.12936	5.9
283.15466	2.0
285.12256	2.6
299.12573	3.1
303.13480	3.0
317.10504	4.7
347.07962	4.9
347.11841	6.2
347.17081	21.0
348.17142	2.6
353.76263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01880	8.6
57.03456	6.0
58.00594	3.1
59.01383	58.0
60.01722	0.8
64.11098	0.8
66.81690	0.7
68.30262	0.8
69.03432	0.9
69.62374	1.8
69.62782	4.0
71.01385	100.0
72.01747	1.0
72.99310	4.6
73.02526	1.7
73.02947	31.1
75.00852	2.5
80.22903	0.8
80.96521	1.6
83.01388	14.0
85.02953	38.9
86.03286	1.0
87.00880	4.0
89.02448	27.1
95.01379	7.7
95.05048	1.2
97.02950	2.3
98.19821	0.8
99.00884	11.1
99.04455	0.9
101.02445	74.0
102.02772	2.2
107.05066	1.0
109.02944	1.0
109.06609	4.6
110.06104	2.8
111.00873	0.8
113.02454	36.9
115.07637	2.1
118.06612	0.9
119.03519	9.9
122.06104	3.5
123.04523	1.6
125.02454	2.8
125.06068	1.1
127.07577	0.7
129.01941	1.4
130.08728	1.0
131.03484	1.1
135.02948	1.2
139.00383	0.9
143.03490	6.9
144.04575	2.9
159.02975	8.5
161.04564	53.3
162.04796	1.4
162.05742	1.2
167.03447	2.0
167.10757	1.4
170.76274	0.8
179.05632	2.5
185.11823	7.0
205.03506	1.6
206.03831	0.9
245.13927	3.2
252.30247	0.8
259.14536	1.9
267.11331	2.7
283.15604	1.1
285.12366	4.0
303.13385	1.2
347.08374	3.8
347.12585	2.9
347.17090	50.2
348.17447	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69577	0.9
55.01878	4.3
57.03451	6.5
57.27851	1.0
58.00594	2.8
59.01384	58.4
68.76322	1.0
69.03457	1.7
69.86532	2.0
69.86941	3.4
71.01388	100.0
71.05020	1.9
72.01706	1.2
72.99320	5.0
73.02951	26.7
74.02499	0.9
74.99077	2.5
75.00881	2.4
80.96512	1.9
83.01387	12.2
83.05060	1.3
85.02953	39.1
87.00875	5.2
88.00359	0.9
89.02451	35.1
90.02812	1.3
95.01392	7.6
95.05033	3.0
97.02958	3.7
97.06596	48.4
98.06929	1.1
98.19808	1.5
99.00887	12.9
99.04560	1.2
101.02448	67.3
102.02821	2.1
109.06612	2.3
111.00896	2.2
113.02459	38.8
114.02827	1.7
119.03498	10.6
121.03001	1.1
123.04530	2.6
125.02460	2.6
125.06110	1.0
127.07639	7.1
129.01955	1.2
131.03511	1.5
137.02437	1.7
139.00378	1.3
139.03987	1.6
139.07614	1.3
141.05556	1.5
143.03520	4.2
159.02986	7.5
161.04584	38.5
165.01985	1.2
167.03496	1.4
167.10799	11.7
179.05650	4.1
185.11839	15.3
186.12018	1.3
245.13910	1.4
267.11295	1.1
281.10730	1.1
285.12320	1.9
289.07297	1.3
303.13528	1.4
306.95508	1.0
347.08023	5.0
347.12540	4.0
347.17105	29.9
347.93552	1.0
348.17612	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08222	0.3
59.01378	8.0
60.01723	0.7
61.98831	100.0
69.56515	2.4
78.96390	0.3
86.40806	0.4
132.65869	0.3
158.03796	0.5
181.66139	0.4
196.13725	0.4
201.02405	0.6
202.02733	2.7
203.02310	3.3
203.99986	45.8
205.00133	5.5
208.84288	0.3
218.13692	0.4
237.61751	0.4
300.64648	0.4
346.01163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0933
Annotation	(-)-Woodinine
Peak:m/z	Relative Intensity
59.01386	4.3
61.98837	2.6
68.99820	0.8
70.33995	0.8
70.94135	1.4
70.94479	1.3
71.01395	4.3
82.22173	0.9
83.01381	1.5
83.05019	1.3
85.02946	1.9
88.37418	0.8
88.92349	0.9
97.02934	1.0
98.20652	0.8
101.02451	2.5
113.02457	1.7
116.05093	4.0
128.05072	4.6
130.06618	4.8
139.00311	1.0
140.05055	1.2
142.06560	2.4
144.04538	1.6
146.06126	100.0
147.06479	5.3
154.06590	1.9
156.04568	32.0
156.08121	1.0
157.04910	2.3
158.06116	4.7
170.06064	3.3
172.04019	3.7
172.07629	1.5
174.05615	3.9
182.06107	2.1
185.04832	2.7
185.11827	1.3
186.05627	5.4
188.07213	2.4
194.06195	0.9
198.05609	3.2
202.05115	54.4
203.05479	4.4
212.07193	1.1
224.67619	0.9
226.05116	4.2
244.06097	2.8
274.17355	2.0
342.02649	0.9
346.09308	59.6
347.09219	5.0
347.18921	4.3
347.24350	2.8
355.07733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
59.01388	28.0
60.01749	1.5
61.98836	100.0
69.73180	8.7
70.02994	1.5
71.01391	24.6
72.99316	2.5
73.02932	1.5
74.99094	1.9
75.00861	2.5
78.95914	19.4
82.24807	1.4
83.01408	2.1
83.56021	1.2
85.02967	7.6
87.00894	3.4
89.02454	15.7
94.02988	1.6
95.01407	3.7
96.96982	6.2
97.02965	3.4
98.03338	1.3
100.04144	1.6
101.02449	10.6
108.04552	5.9
109.02955	2.2
110.02485	4.2
111.00859	2.3
111.04533	2.3
113.02454	11.3
117.00450	2.2
119.03511	5.7
120.01270	3.0
120.99697	2.1
121.02957	2.2
122.06134	20.3
122.54270	1.4
123.00956	1.4
123.03269	3.8
123.04539	3.9
124.04090	3.6
125.02457	2.7
128.03561	1.9
130.08722	1.7
131.03568	1.7
134.04741	4.7
136.04039	6.1
137.04851	3.2
138.01938	2.0
138.05626	8.1
139.00414	2.7
139.04057	7.6
140.00722	1.6
140.03442	1.9
140.04384	5.6
141.01959	4.5
143.02065	2.6
143.03526	1.8
148.04054	6.0
151.02766	3.0
151.04015	1.8
154.05052	1.9
159.01634	1.4
161.04550	5.7
165.01805	1.7
166.05103	83.0
167.03430	3.6
167.05452	5.1
179.05573	2.8
185.02991	3.4
185.04561	3.9
194.08115	1.6
196.02492	1.9
201.98489	1.6
204.00002	40.4
205.00165	6.2
211.00140	14.8
229.67418	1.5
229.82767	1.4
256.08212	1.6
287.06219	4.0
296.93707	1.6
346.01514	1.7
346.05331	3.2
346.11511	4.0
346.15112	1.4
347.08719	7.5
347.12372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1707
Annotation	Isorosmanol
Peak:m/z	Relative Intensity
51.86452	0.9
59.01380	1.8
67.41509	0.7
71.18760	1.4
83.05045	0.8
97.06574	0.9
110.68996	0.7
113.09679	0.8
125.09735	2.1
125.73495	0.7
128.83385	0.9
133.06668	0.7
171.10254	4.6
196.12686	0.8
201.11337	1.3
219.36481	0.8
225.00075	0.8
228.11328	0.9
240.11452	1.3
253.12364	9.3
255.17429	1.9
267.13876	9.0
268.14676	84.6
269.15036	9.9
271.13455	1.8
283.17041	26.4
284.17480	2.5
300.13596	2.4
301.18112	2.2
315.16034	1.2
327.15958	1.3
345.17059	100.0
345.22757	20.0
346.17365	13.1
346.23190	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
55.95599	0.4
57.03435	1.5
59.01366	1.1
67.45149	0.4
71.05006	0.8
71.40285	0.6
71.40623	0.5
75.00843	0.4
75.20171	0.4
83.05017	0.7
97.06571	0.8
100.71848	0.4
107.05079	0.4
111.04535	0.3
111.08165	1.4
114.09790	0.4
123.08159	0.4
125.09737	2.3
127.11292	1.7
137.09732	0.5
139.11324	1.8
146.67673	0.3
153.12805	0.5
155.10771	1.0
171.10278	2.3
177.16454	0.6
183.10246	0.4
185.26695	0.4
201.11273	0.8
210.98285	0.4
247.20674	11.5
248.20990	1.1
253.21764	0.4
257.19147	0.7
263.20120	0.7
265.21729	7.3
266.22040	1.1
273.18640	0.5
283.19998	0.4
283.22687	1.7
291.19727	5.2
292.19904	0.6
301.18182	1.2
301.23776	0.8
309.17148	0.6
309.20728	13.7
310.21164	1.4
327.21768	15.5
328.22073	2.0
345.16873	2.8
345.22806	100.0
346.23157	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	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.69786	0.8
59.01374	11.2
71.01368	1.7
73.02954	1.0
94.02983	0.9
95.03767	3.9
98.20611	2.0
104.05070	1.8
106.06625	5.1
122.06121	3.5
124.07679	6.7
132.04555	40.2
133.05353	20.2
134.06143	7.1
148.04070	1.6
150.05573	2.0
165.02901	1.4
165.04309	24.5
166.04616	1.3
176.03519	1.1
177.04298	4.1
178.05063	2.6
183.10283	1.3
184.07774	1.0
185.22568	0.9
186.09229	4.8
187.08698	1.0
194.63397	0.9
198.09261	1.3
205.18251	0.8
209.03252	5.2
213.06706	2.7
214.12366	7.6
215.11877	8.4
225.11292	1.0
226.07368	1.3
227.08260	0.9
229.09737	5.4
229.14371	0.9
240.10484	1.9
241.09785	4.9
243.12306	2.8
257.12955	25.8
258.13150	2.9
266.99966	0.7
270.74564	0.8
283.10806	9.0
285.13434	2.6
285.17029	2.0
301.11905	21.0
302.12161	1.0
327.09808	2.6
345.10898	100.0
346.11206	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	345.1189
Annotation	6beta-Hydroxyantirrhide
Peak:m/z	Relative Intensity
58.00599	0.6
59.01379	12.1
71.01384	6.4
71.38448	0.7
71.38797	0.6
71.70077	0.4
72.99316	0.8
73.02963	0.8
80.96514	3.3
85.02968	1.6
87.00915	0.7
89.02442	6.4
93.94354	0.4
100.00642	0.4
100.45831	0.4
101.02426	4.2
103.02282	0.4
105.03490	0.4
109.02963	0.7
111.00877	0.6
113.02449	2.1
119.03500	2.2
119.07162	0.3
121.02965	0.7
121.49513	0.4
123.04558	2.5
123.74789	0.4
125.02510	0.4
137.02443	2.1
138.03229	37.2
139.03598	1.4
147.03458	0.4
147.04539	1.8
149.02441	0.5
150.03119	0.5
151.03911	0.5
153.01889	0.4
153.05579	14.4
154.05936	0.6
165.02007	0.8
165.05554	5.8
167.03424	0.8
168.04285	54.0
169.04607	2.8
170.02205	1.7
183.06627	100.0
184.06993	6.1
197.04572	0.7
328.03577	0.5
340.11746	0.4
345.11911	8.4
346.12048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Eranthemoside
Peak:m/z	Relative Intensity
55.73644	0.6
59.01093	1.1
59.01382	20.7
61.98835	0.6
66.20105	0.5
69.38174	0.9
69.38585	3.9
71.01385	4.7
80.96536	1.2
85.02940	0.8
89.02446	2.8
93.03435	1.1
95.01353	0.6
101.02422	2.8
109.02941	1.4
113.02455	1.3
115.72696	0.5
119.03495	1.1
121.02965	4.2
123.00907	0.7
123.04532	16.7
135.04478	0.5
137.02426	2.5
138.03235	36.8
139.00455	0.7
139.03593	2.0
149.02452	1.1
150.03212	2.3
151.04057	0.7
153.05565	13.9
154.05923	0.7
163.22519	0.6
165.01917	1.1
165.05586	2.7
165.09224	0.9
168.04283	57.1
169.04613	3.5
170.02202	1.9
183.06624	100.0
184.06955	5.5
215.07170	1.1
285.09839	1.3
285.17065	0.8
287.62247	0.6
345.07922	0.8
345.11795	7.6
346.12216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.58421	0.5
57.03421	0.8
59.01377	2.3
69.03447	1.1
69.81573	1.7
69.81979	0.9
83.05017	0.7
92.42707	0.4
97.06554	0.9
99.08164	3.6
101.02407	0.4
103.71394	0.5
111.00871	0.5
113.09745	0.8
121.10239	6.2
123.00883	0.6
124.01661	0.6
125.09724	1.8
127.11279	1.4
135.08192	0.5
136.01685	2.3
137.09717	1.6
139.11270	2.0
148.05305	1.7
151.04010	3.0
153.09218	0.5
163.07654	1.4
165.05522	0.6
165.12889	0.6
166.06233	0.5
171.10265	39.9
172.10580	2.5
191.18172	0.5
193.12315	6.7
211.13475	1.2
225.14938	9.9
226.15346	0.8
243.16003	3.6
289.17920	2.4
293.21228	3.4
311.22464	0.6
328.13104	0.5
343.16171	3.6
343.24875	100.0
344.15430	0.7
344.25223	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
58.00618	1.2
59.01374	2.8
69.71709	2.3
69.72121	2.2
83.05042	2.2
91.92609	0.8
98.19900	1.5
121.02946	0.8
121.10218	1.5
125.09739	7.0
127.11287	9.6
137.09734	1.2
139.11311	7.5
155.10783	3.4
165.09190	3.4
166.33740	0.7
171.10274	22.1
172.10648	1.5
199.09776	2.2
201.11328	45.7
201.46635	0.7
202.11681	2.4
271.22794	2.3
275.20184	3.5
293.21234	2.6
311.22296	4.9
343.15512	2.3
343.24927	100.0
344.25317	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	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03441	1.6
58.37936	0.5
59.01395	3.3
61.98827	0.8
64.36099	0.5
69.39355	4.8
71.05022	1.9
72.38727	0.5
72.99302	0.7
77.29926	0.4
83.05034	1.7
85.02953	0.7
95.05019	0.6
97.06591	2.0
97.94126	0.5
98.20632	0.9
111.20201	0.5
121.03001	1.2
123.04523	1.3
123.08147	1.2
125.09724	7.0
127.11295	0.9
130.42793	0.5
141.12859	1.5
153.12892	0.6
155.10764	0.8
155.14487	2.7
157.08597	0.5
171.10266	1.3
173.08199	0.6
173.11829	1.2
175.83118	0.6
197.11824	1.1
197.99474	0.6
199.09821	0.9
199.61264	0.5
201.11354	0.7
225.22298	1.0
234.66716	0.5
253.21819	3.3
255.23352	1.6
263.20105	2.4
271.17197	0.6
281.21246	8.9
282.21780	0.6
289.18106	0.8
297.20816	1.3
299.13129	0.5
299.22281	18.3
300.22617	2.3
307.19205	11.7
308.19400	1.4
325.20209	40.2
326.20563	5.3
343.21265	100.0
344.21597	12.5
344.25635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03448	5.2
59.01378	0.4
68.73222	0.3
69.03458	0.5
70.94161	0.7
70.94495	0.5
77.11568	0.4
80.02685	0.5
83.05026	1.1
88.01231	0.4
90.21510	0.3
95.05037	1.0
97.06592	14.6
106.70591	0.3
117.86475	0.4
123.08170	8.7
124.08482	0.6
125.09724	100.0
126.10072	5.0
127.10217	0.3
127.11287	2.3
133.06566	0.4
139.11351	1.8
143.10767	1.6
155.10770	2.2
159.10240	0.9
165.01869	0.4
169.08699	2.1
173.11823	39.0
174.12122	2.1
183.10240	0.4
187.09760	18.4
188.10121	1.1
201.11313	1.1
217.64676	0.4
274.87265	0.4
281.21216	7.0
282.21603	0.9
299.16434	0.9
300.31781	0.4
325.20169	8.6
326.20502	1.3
343.21240	96.8
344.21597	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	343.2485
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.73248	0.5
57.03434	0.8
59.01381	4.2
69.03455	1.4
70.40369	1.4
71.01370	0.5
71.05009	0.8
72.63039	0.4
74.37614	0.4
81.03454	0.6
83.01424	0.5
83.05007	1.9
97.06579	1.5
98.20535	0.5
99.08158	11.0
100.08534	0.5
102.16505	0.5
108.54536	0.5
111.08128	0.6
121.10226	0.8
123.04541	0.7
125.09715	1.6
137.09689	1.0
139.20244	0.4
149.13322	0.7
165.12888	0.7
171.10272	9.8
175.11317	1.0
185.11877	0.8
191.10851	0.5
193.12329	18.7
194.12646	1.5
211.13390	3.5
225.14960	24.3
226.15306	2.1
234.12621	0.5
243.16006	9.8
244.16144	0.7
293.21210	2.2
311.22250	1.1
325.23709	0.6
343.24881	100.0
344.25180	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	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
53.74787	0.6
59.01386	6.8
59.38009	0.6
59.62222	0.6
65.03258	0.6
68.99837	0.6
69.52903	0.6
71.01401	2.4
71.62766	0.7
73.02951	0.8
85.02942	0.8
85.56484	0.6
89.02445	1.3
90.98631	1.0
95.01383	1.0
101.02422	0.9
107.05048	0.8
109.02969	2.0
113.02465	1.5
121.03010	0.9
121.06561	0.8
122.03744	11.3
123.00891	7.7
123.04572	1.0
124.01669	3.6
124.75652	0.6
135.04535	3.0
136.05305	69.2
137.06172	7.2
138.03242	4.4
139.04027	2.7
149.06090	0.8
151.04022	1.4
159.04526	0.9
161.13924	0.9
163.03964	1.1
165.05603	1.1
171.04793	1.0
179.07124	2.9
180.04286	100.0
181.05026	21.3
181.08647	1.1
182.04465	1.6
191.07143	2.3
193.05066	1.2
207.05345	1.0
223.06155	0.8
240.04381	0.8
241.05005	1.3
243.41281	0.6
253.07162	1.7
255.06772	1.2
267.06796	0.7
303.40579	0.7
343.10309	62.9
344.10840	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	343.1396
Annotation	Taxuside
Peak:m/z	Relative Intensity
59.01376	10.0
61.98827	1.0
69.29440	4.9
69.29860	1.5
71.01381	5.7
72.99302	1.0
73.02950	1.7
80.96514	1.1
83.01380	1.4
83.17036	0.6
85.02961	3.2
87.00881	1.9
89.02457	0.9
95.05054	0.8
97.02932	0.8
99.04543	1.4
101.02454	2.7
108.79430	0.6
109.03001	3.1
113.02445	2.9
117.83709	0.6
119.05023	1.1
121.02940	2.3
121.06624	0.8
122.03806	0.8
123.00872	1.4
123.04503	3.9
125.02481	1.4
135.04520	2.6
136.05304	38.3
137.06122	8.9
138.03214	0.9
139.04030	1.2
148.05316	3.5
149.06070	2.9
150.06860	20.8
151.07652	18.9
153.56485	0.8
161.04617	0.8
161.05972	1.1
162.06866	23.4
163.04004	2.8
163.07655	28.8
164.07964	1.9
165.01895	1.2
165.05544	8.1
166.02789	0.7
166.06326	2.5
167.07114	3.3
177.05658	0.9
179.03516	2.0
180.03941	1.0
180.07922	41.4
181.05182	15.6
181.08694	100.0
182.05470	1.2
182.09021	5.8
206.91000	0.7
223.09665	1.3
246.98328	0.9
315.05103	1.2
327.29095	0.8
343.09824	2.0
343.13977	5.0
344.07626	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	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	83.0
60.01714	0.9
61.98836	0.4
69.87113	0.4
69.87523	0.6
113.04606	0.2
115.02496	0.5
116.20827	0.2
117.00436	0.3
156.90814	0.2
157.03561	6.9
158.03732	0.6
159.01489	3.1
160.01666	0.3
162.05600	0.2
190.01434	0.2
196.47374	0.2
201.02547	100.0
201.89238	0.3
202.02721	9.7
270.82309	0.2
294.44394	0.2
343.03717	2.4
344.03912	0.5
366.27377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.6
63.96239	37.8
65.42136	0.6
70.78280	1.3
71.01387	6.6
73.02950	1.5
75.00880	2.2
78.95889	1.0
78.98592	100.0
80.29390	0.6
83.01385	1.2
85.02961	2.7
87.00904	0.7
87.84557	0.5
89.02447	5.1
93.00164	3.5
93.03460	5.7
95.01382	0.8
98.02468	0.6
101.02434	5.4
109.02953	8.4
111.02015	1.6
113.02443	2.2
116.57706	0.5
119.03513	1.6
137.02438	11.3
150.04294	0.9
158.41640	0.5
161.04451	0.9
163.00716	8.0
181.01756	7.2
212.06741	2.6
263.07727	1.6
283.12723	0.7
297.11816	1.3
343.07013	60.6
344.07129	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	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
50.96174	0.7
57.03430	0.9
59.01098	0.7
59.01381	13.9
61.98826	0.9
70.86541	0.7
71.01387	8.5
71.38461	1.5
72.99294	1.2
75.00859	2.3
75.19586	0.6
83.01390	0.7
85.02954	2.1
87.00873	2.7
89.02008	0.6
89.02456	5.0
95.01358	1.6
99.00853	1.0
101.02441	3.5
108.02163	8.4
109.02961	10.2
113.02451	2.1
114.42598	0.7
119.03497	1.5
121.02935	2.5
122.03732	2.6
123.00876	2.6
123.04536	10.8
124.01670	3.5
125.02443	1.5
135.04526	2.5
135.81635	0.9
136.01640	1.3
137.02432	6.3
137.06071	6.4
138.05583	1.6
139.04005	1.0
148.01662	0.9
149.02429	0.7
150.03215	9.3
151.03967	2.8
153.01944	1.0
153.05554	1.3
163.04012	5.4
164.01129	2.1
165.01924	38.1
165.05542	2.0
166.02713	13.6
167.03430	4.9
177.01920	1.7
178.02544	0.7
179.03459	1.8
181.05052	31.8
181.08725	1.1
182.05414	1.1
195.02943	2.5
305.06461	0.9
327.24823	0.6
328.07944	7.1
343.10300	100.0
344.10696	10.8
366.34418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
58.28880	0.3
59.01373	1.1
70.85516	0.8
80.72412	0.3
90.98469	0.3
181.67278	0.3
185.00847	1.1
197.75139	0.3
199.00734	0.3
269.47528	0.3
295.30014	3.3
296.30032	0.3
323.29642	1.1
339.29059	0.7
341.30600	100.0
342.30927	14.3
342.35162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.7
67.72340	0.3
71.01367	0.3
71.38655	0.3
71.39037	0.3
89.02451	0.4
182.86580	0.3
184.01549	0.5
185.00740	1.5
199.00732	0.6
216.99062	0.3
281.24768	0.3
295.30026	4.5
296.30417	0.4
323.29559	1.2
339.29071	0.8
341.19757	3.2
341.30591	100.0
342.30945	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	342.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	47.9
60.01725	4.6
61.65781	1.7
61.98834	100.0
71.01389	21.4
71.19070	4.2
72.01739	3.9
73.02957	3.1
74.02408	2.1
75.00878	5.3
78.95944	2.7
83.01398	4.0
84.95694	2.2
85.02961	5.4
87.00868	4.8
87.72385	1.9
89.02464	20.1
90.02781	3.6
91.18215	2.1
93.03492	4.4
95.01372	3.2
101.02454	12.5
102.02788	3.2
108.02163	2.3
109.02952	5.9
109.81675	2.0
113.02492	5.7
114.02804	3.9
119.03509	5.3
119.05029	9.8
120.03841	4.0
121.02967	9.0
123.00855	4.3
125.02451	7.4
133.02989	2.2
135.04495	3.6
136.07729	5.1
137.02469	18.8
139.04008	3.7
149.02431	13.1
149.04532	2.6
151.00380	7.6
161.04553	4.0
162.01927	3.8
162.37367	2.0
163.00308	4.8
163.04002	4.8
164.01131	2.3
165.01933	35.0
165.05573	2.3
167.03468	2.2
176.01202	3.8
177.01939	61.5
177.03487	3.1
179.05609	4.0
180.04228	2.3
180.06799	9.7
181.05072	6.5
190.02751	3.3
201.02542	12.5
202.99840	5.7
205.01436	7.1
210.05937	2.0
218.02208	3.6
249.96098	2.6
255.06757	2.5
282.12579	3.9
306.06924	3.6
311.48804	2.5
316.70248	2.0
342.11380	8.3
343.03983	3.5
343.10400	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	342.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25552	2.8
58.17007	2.6
59.01386	7.1
61.98837	100.0
69.31314	27.5
69.31626	6.1
96.96031	5.0
108.83424	2.9
118.55587	2.4
119.79213	2.8
121.02937	3.7
134.03746	5.7
135.04564	11.3
147.04523	5.1
148.05324	30.3
160.00607	2.6
163.04082	4.6
176.03577	3.2
178.05092	18.2
178.06458	5.0
190.05118	6.9
215.91542	3.0
217.65804	3.1
312.08789	4.2
327.11105	11.1
342.13425	50.9
343.13776	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41064	0.5
59.01387	3.7
69.03448	2.9
71.01363	0.9
71.31664	1.2
81.03459	0.5
83.05031	2.1
84.02181	3.7
89.02430	0.9
95.05025	0.8
97.02950	1.5
97.06593	12.2
99.04520	1.2
99.75549	0.5
101.25340	0.5
112.66220	0.5
118.39465	0.5
125.02355	0.5
125.09715	1.7
126.76083	0.5
127.11250	0.6
137.09680	1.5
149.02444	3.1
149.13336	0.6
151.11325	0.8
164.04727	0.9
165.12759	1.2
171.10268	13.6
172.10591	0.8
175.11285	1.0
177.12753	0.8
178.12354	0.7
185.11699	0.7
193.12337	18.2
194.12698	1.5
197.15320	0.9
211.13333	3.6
221.11792	1.0
225.14967	23.1
226.15320	1.6
243.15997	10.6
244.16251	0.7
253.14493	0.8
283.09772	1.4
291.19543	1.5
305.20975	0.6
311.09268	1.9
325.10947	0.8
326.11594	4.9
341.14310	7.5
341.23306	100.0
342.14258	1.5
342.23666	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30659	0.6
59.01385	7.0
69.03101	1.1
69.03461	15.2
71.01379	2.0
71.45566	1.1
75.00916	0.7
81.03472	0.9
83.05029	1.3
84.02172	11.1
87.50233	0.7
89.02442	2.0
97.02953	3.8
97.06586	1.0
99.04514	3.2
101.02409	0.7
108.71239	0.6
111.93073	0.6
119.08671	3.3
125.09753	1.5
127.11306	1.5
135.08136	1.3
137.09721	18.1
161.06068	1.8
162.06866	3.6
171.10272	66.8
172.10631	3.5
176.10941	0.7
179.05545	1.6
205.08675	4.4
244.46873	0.9
291.19757	1.2
297.20703	1.3
305.21167	1.1
309.20807	0.8
311.09186	0.7
341.23331	100.0
342.23660	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	341.2696
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
55.37611	0.3
57.03451	0.8
59.01372	1.5
66.74673	0.3
70.27769	0.8
70.28169	0.7
71.01384	0.4
85.38955	0.4
89.02454	0.5
98.20477	0.4
108.62022	0.4
160.98758	0.4
193.39122	0.3
214.15697	0.3
228.70764	0.3
246.10887	0.4
251.23831	0.4
277.25436	1.6
279.26935	67.8
280.27277	8.1
297.27966	1.8
298.28421	0.4
323.25894	21.3
324.26245	2.5
341.26959	100.0
342.27328	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	341.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71629	0.7
59.01382	100.0
60.01714	1.8
69.38917	1.9
69.39327	5.9
71.01384	3.3
85.02929	1.1
89.02445	3.5
98.20638	1.5
99.04606	0.8
101.02467	1.7
113.02477	0.9
119.03504	1.5
121.94156	0.9
151.00400	0.9
154.88850	0.8
161.09721	1.4
179.05592	2.7
179.10689	0.9
281.14038	7.4
282.14096	1.1
327.11041	1.3
341.15903	1.1
342.13535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52254	0.4
57.03457	0.8
59.01381	100.0
60.01720	1.3
61.63768	0.4
63.73925	0.4
66.30466	0.4
67.37576	0.4
71.01387	3.1
71.64305	0.7
73.02934	0.6
85.02977	0.5
88.36921	0.4
89.02460	2.0
92.26740	0.5
97.90575	0.6
101.02467	1.2
113.02477	1.4
119.03525	1.1
119.64304	0.4
123.04547	0.8
147.32039	0.4
149.78233	0.4
170.76526	0.5
178.19321	0.5
179.10759	7.3
180.11127	0.5
208.67418	0.4
264.50241	0.4
270.67834	0.5
341.06857	0.7
341.11081	0.4
341.16104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86745	1.3
58.00599	1.7
59.01381	33.9
63.96861	1.3
65.08330	1.3
69.03461	8.9
69.19389	1.3
69.36362	3.5
69.36777	9.1
71.01375	10.8
73.54415	1.4
79.13845	1.3
81.03461	1.6
81.19368	1.4
83.05050	1.4
84.95418	1.3
88.28705	1.7
89.02450	9.2
101.02451	3.2
108.02198	2.1
113.02464	3.5
119.03522	2.5
119.08666	13.9
119.96281	1.6
123.04543	3.5
123.08136	2.5
125.09721	7.5
127.11289	4.9
129.58992	1.4
135.08170	4.5
137.09723	41.8
138.10069	4.4
141.09256	9.4
155.10779	3.3
171.10274	100.0
172.10625	5.7
173.11845	7.6
179.05565	2.9
183.01196	4.7
199.09715	2.0
201.11317	35.7
202.11671	2.2
204.73186	1.9
211.13445	2.3
211.89221	1.6
213.15059	2.2
223.20561	6.8
267.19638	5.9
269.17789	1.6
273.18625	4.5
279.19565	3.4
286.08734	1.5
291.19650	14.0
297.20724	3.3
309.20758	22.4
310.21121	3.1
341.10272	2.4
341.13577	4.6
341.19202	7.9
341.23376	34.2
342.23599	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	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41429	0.9
58.00591	4.0
59.01382	100.0
60.01705	1.1
68.38230	0.8
69.57518	5.1
69.57914	1.5
71.01388	65.3
72.01714	1.7
72.99297	2.8
73.02947	1.7
75.00871	1.3
79.62871	0.9
83.01401	2.4
85.02953	12.0
87.00880	4.3
89.02448	82.2
90.02772	1.3
95.01389	2.7
97.02982	1.5
101.02444	30.9
101.43172	0.9
113.02454	25.6
114.02844	1.4
119.03507	30.4
125.02475	0.9
131.03494	5.4
139.24574	1.0
143.03516	9.5
149.04544	3.0
161.04579	9.9
172.09296	0.9
179.05612	32.9
180.05942	1.7
217.23296	0.9
341.10898	38.0
342.11252	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	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64345	1.5
57.03472	1.7
59.01387	26.0
66.53108	1.2
69.03450	1.7
71.01392	8.7
71.62382	1.9
85.02971	1.6
87.00841	1.3
89.02436	7.1
98.68427	1.3
101.02461	3.8
109.02930	2.1
111.45483	1.4
119.03580	2.1
124.55180	1.3
140.11165	1.5
145.43253	1.4
147.52280	1.7
151.00391	1.4
151.04085	3.5
158.03752	4.0
159.04494	2.8
167.10811	2.0
171.10263	4.0
179.05608	4.9
179.07094	2.0
196.08997	3.0
197.02798	1.9
212.08463	2.2
218.27525	1.3
223.07706	1.7
224.08496	4.1
228.07814	1.9
239.03455	1.9
239.07193	8.9
240.07877	10.7
243.06667	6.0
250.06468	2.9
251.07117	11.0
252.07901	15.8
253.05412	1.5
253.08301	3.4
255.10359	1.9
265.08670	1.5
267.06754	3.6
267.10297	14.3
268.07419	10.4
268.10437	3.0
269.07980	1.4
270.86890	1.4
279.06696	4.0
280.07437	3.2
281.08115	3.9
283.09784	11.6
293.08102	3.1
295.06226	2.7
296.06909	43.7
297.07260	4.8
297.20560	2.5
297.87491	1.4
311.09286	82.0
312.09576	10.1
326.11606	95.5
327.11960	11.7
341.14005	100.0
341.19070	3.7
341.23068	14.0
342.14276	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.3
61.98816	2.9
65.08261	2.1
67.01900	14.6
69.97700	1.8
71.01395	7.0
71.63636	2.2
83.01412	2.1
85.02934	2.5
89.02456	9.1
91.95178	2.0
95.01386	10.9
95.05010	2.6
97.06618	3.4
101.02496	4.7
107.01396	2.2
108.02172	19.6
109.02952	4.1
109.99997	2.5
111.00900	10.5
119.03510	4.5
119.04966	2.2
123.00891	100.0
123.04536	16.0
124.01202	2.3
125.02431	4.4
134.03770	13.8
135.04553	2.8
138.03238	60.2
139.03581	3.6
148.05310	89.7
149.05684	4.0
161.02473	3.2
162.03224	73.5
163.03993	10.4
163.07642	43.5
177.05576	56.6
178.05913	5.1
179.05606	7.0
181.16003	3.8
199.00690	5.4
274.40796	2.1
279.23376	2.3
326.11517	6.9
326.18958	4.2
341.13892	64.6
341.17575	11.4
341.23718	13.6
342.14291	11.2
359.67737	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03452	5.3
58.00583	2.9
59.01384	100.0
61.98839	28.6
70.38885	2.1
70.39265	3.0
71.01388	74.6
72.99306	2.7
73.02953	6.5
75.00880	4.1
83.01407	3.3
85.02963	14.9
87.00871	8.8
89.02448	73.7
95.01384	5.3
99.00893	2.2
101.02454	40.6
102.02853	1.7
107.05008	6.0
109.02930	2.4
110.02481	8.0
113.02458	28.3
119.02737	2.6
119.03516	26.3
119.07136	1.9
125.02453	4.4
131.03493	6.4
135.04552	2.4
137.02431	2.7
143.03560	7.2
161.02440	3.8
161.04582	15.7
162.01923	1.9
162.04153	2.6
163.03947	2.5
164.04758	2.4
165.01924	1.6
167.03502	1.5
173.03014	2.7
179.03430	2.2
179.03975	2.7
179.05618	26.9
179.07146	2.8
199.01019	4.3
209.09421	2.6
281.12460	25.7
282.12753	1.6
295.13901	1.5
305.06708	5.0
341.10971	28.9
342.11060	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2901
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
57.03442	0.9
61.56005	0.6
63.24281	0.6
64.88366	0.6
79.95755	1.3
85.37666	0.6
96.95998	0.7
98.31656	0.6
98.95567	1.2
119.04986	1.2
130.28104	0.7
163.11292	25.5
164.11615	1.8
170.00407	1.2
174.67273	0.7
183.01204	48.7
184.01785	3.7
197.02788	1.4
216.00911	1.9
239.07564	0.7
279.27054	1.0
295.30124	0.7
339.19958	100.0
339.23126	6.8
339.28983	81.9
340.20285	12.9
340.23801	0.9
340.29303	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	340.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	3.4
59.01384	41.3
60.81540	0.7
71.01385	27.2
71.62260	1.4
71.62631	1.0
72.99303	2.7
75.00905	0.8
83.01365	0.9
85.02968	5.3
87.00888	2.1
89.02448	26.9
89.56365	0.7
92.05064	1.8
95.01396	2.9
101.02454	12.1
104.05043	1.9
107.05030	2.0
110.02464	3.9
113.02453	11.8
118.03040	1.3
118.06628	1.1
119.03506	8.7
125.02473	1.4
129.53970	0.8
131.03519	1.2
133.02966	2.3
134.03706	3.1
134.04669	0.7
135.04529	90.0
137.02426	0.7
143.03520	1.8
148.04044	9.8
149.74710	0.7
160.04044	73.6
161.02422	6.8
161.04445	7.3
162.05632	11.4
177.02013	1.3
177.05650	1.0
178.02644	1.5
178.05095	30.2
179.03503	100.0
179.05495	8.0
189.02003	1.0
192.03024	1.1
202.05051	0.8
203.03496	1.8
204.06799	1.2
215.96606	0.8
220.06087	5.8
232.06276	3.7
251.05528	1.2
260.09290	2.1
280.08252	1.6
305.06665	0.9
340.10373	32.0
341.08377	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
56.73883	0.7
57.03452	2.3
58.00598	5.5
59.01380	100.0
60.01716	1.3
61.98841	0.7
63.30003	0.7
69.03447	0.9
69.57378	2.7
69.57799	2.8
71.01383	72.8
72.01722	1.0
72.99300	3.8
73.02948	3.0
75.00872	6.0
83.01405	2.9
85.02944	8.6
87.00869	4.8
89.02445	90.3
90.02772	1.2
95.01383	4.4
99.00881	1.5
99.04540	1.3
101.02444	32.6
102.02790	1.0
105.00349	0.8
113.02455	26.4
116.82622	0.9
119.03501	27.7
125.02425	1.6
131.03481	3.7
143.03494	8.3
149.04544	3.3
158.16174	0.7
161.04556	9.2
179.05609	33.0
180.05948	1.0
185.10376	0.8
237.05981	1.0
341.10876	41.3
342.11166	2.8
345.65070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2541
Annotation	CHEBI:78769
Peak:m/z	Relative Intensity
54.34924	0.4
59.01385	100.0
60.01720	1.4
61.98851	0.5
69.34962	0.5
69.89568	2.7
85.06609	0.7
183.01251	1.1
207.79718	0.5
212.45700	0.5
214.54031	0.5
219.44759	0.5
223.20651	0.6
234.37122	0.5
279.23309	6.4
280.23624	0.8
295.22891	1.2
295.26395	2.2
297.24365	41.3
298.24698	5.5
321.24374	0.6
339.20621	2.4
339.25394	15.9
340.25867	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	339.2904
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
51.19036	1.1
59.00739	1.3
59.01374	2.1
61.98818	1.5
74.02479	1.8
144.88786	1.2
156.09433	1.0
163.11284	23.6
164.11655	2.1
183.01198	30.6
184.01668	1.4
197.02849	1.5
293.28540	1.8
295.26257	1.3
295.29831	1.4
310.18414	1.3
339.19992	59.1
339.23688	3.2
339.29004	100.0
340.20322	7.3
340.29312	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.70523	0.4
70.07592	1.8
72.29682	0.4
78.96774	0.4
111.55348	0.4
154.59068	0.4
163.11299	100.0
164.11613	7.0
193.62936	0.4
215.53357	0.5
243.44084	0.4
266.02676	0.5
339.23285	67.0
340.19635	0.6
340.23584	8.0
353.93884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
54.00553	0.2
58.27116	0.2
59.01376	3.5
66.03268	0.2
67.20523	0.2
70.95159	0.5
71.01375	0.5
73.02949	0.2
79.95737	0.2
81.03453	0.4
89.02469	0.3
89.03979	1.9
91.82848	0.2
101.02457	0.3
104.02648	0.5
105.03465	3.0
109.02955	0.2
111.46048	0.2
133.02956	7.9
134.03285	0.4
148.01651	1.2
149.02411	0.9
160.04060	0.2
163.03923	0.2
176.01140	2.2
177.01923	100.0
178.02254	5.7
178.04906	0.3
321.69385	0.2
339.07190	12.3
340.07367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	Aesculin
Peak:m/z	Relative Intensity
51.22627	0.4
59.01378	2.8
59.60937	0.3
60.07604	0.3
62.64317	0.3
69.55962	2.8
69.99932	0.4
72.58212	0.4
89.03969	0.5
93.39927	0.4
105.03472	0.9
111.79771	0.4
133.02966	3.0
148.01669	50.7
149.01950	2.5
160.04039	1.3
176.01144	100.0
177.01910	33.6
178.02324	2.1
187.04080	0.4
191.03508	1.3
200.14598	0.4
203.03548	0.6
217.05052	0.4
219.03018	1.3
293.39374	0.4
311.07730	0.7
339.07187	39.4
340.07489	4.6
341.49918	0.6
353.69089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63784	0.5
55.01876	2.6
57.03444	2.7
58.00590	1.2
58.04876	0.5
59.01381	22.3
69.03462	0.6
71.01386	24.1
72.01713	0.7
72.99307	1.5
73.02954	11.5
75.00863	1.3
83.01390	7.0
85.02959	16.5
87.00876	1.7
87.63920	0.5
89.02463	4.6
95.01398	2.0
96.97008	0.7
97.02955	0.6
98.20650	1.2
99.00869	5.0
101.02447	32.7
102.02769	1.3
111.00903	0.6
113.02459	12.0
115.03931	0.6
117.05566	1.1
119.03516	0.8
125.02477	0.5
129.01942	1.2
131.03540	0.8
141.02019	0.6
143.03529	1.3
148.69354	0.5
159.02977	1.9
161.04570	10.9
166.52235	0.6
176.01027	0.9
178.05069	1.1
207.08740	100.0
208.09085	5.6
255.05406	0.5
256.97739	0.6
257.45007	0.5
311.04843	0.6
333.88611	0.6
339.12964	8.0
340.13351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01384	100.0
60.01717	1.4
61.25811	0.6
70.08318	2.6
71.01384	3.8
73.02979	0.9
81.29361	0.7
83.01431	0.9
85.02993	1.6
87.00908	0.8
89.02476	0.9
98.19935	1.1
101.02451	3.8
113.02476	1.9
133.03001	0.6
135.06648	0.6
141.82901	0.6
148.01665	5.7
150.03490	0.6
159.02989	0.8
161.04567	3.1
162.18729	0.6
170.85991	0.6
173.42993	0.6
176.01132	12.1
177.01880	5.3
279.11322	1.4
279.14471	8.0
287.26230	0.6
339.07098	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14771	0.6
59.01381	100.0
60.01711	1.3
69.82720	4.2
71.01388	3.7
72.99369	0.7
73.02949	1.6
83.01386	1.3
84.29379	0.7
85.02976	2.3
89.02455	1.2
89.97890	0.7
99.00913	0.8
101.02448	3.8
113.02468	1.5
133.30269	0.7
148.01668	21.4
149.02045	0.7
161.04564	4.8
171.67676	0.6
176.01144	10.4
177.01935	3.1
178.05145	0.8
178.08708	0.7
181.23341	0.7
191.03549	0.8
207.08757	0.7
279.14517	7.2
311.07870	2.3
339.07037	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	339.2178
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03443	2.3
59.01374	13.9
60.05555	1.5
69.31343	14.7
71.01363	3.1
76.37609	1.4
79.42312	2.0
80.38992	1.6
83.05058	3.0
85.02953	1.7
97.06600	3.2
101.06096	3.1
108.83006	1.6
112.08786	1.5
121.02978	1.7
125.09697	1.5
127.07591	1.4
135.04501	2.2
139.11235	1.5
155.10811	6.5
162.03268	1.9
163.04031	1.5
178.09982	5.6
183.01248	5.0
191.14510	2.2
193.16051	1.8
207.08768	1.9
219.13947	3.0
235.13394	7.1
237.14961	71.4
238.15292	6.8
247.20680	2.0
249.22235	34.9
250.22546	2.7
253.14391	7.9
259.20593	1.8
263.07108	2.2
270.76782	1.6
277.21677	12.0
278.21988	2.1
285.43729	1.6
295.22797	44.0
296.23138	4.5
303.19632	4.4
307.09814	4.4
309.07532	3.4
321.20715	73.5
322.20920	9.2
324.10117	3.4
339.12543	2.8
339.21759	100.0
339.24844	5.9
340.22122	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03440	1.9
58.00594	4.3
59.01382	84.2
60.01707	0.8
71.01385	43.7
71.62625	0.8
72.99308	3.7
73.02960	1.4
75.00854	2.2
83.01420	1.7
85.02948	9.5
87.00887	3.3
89.02450	46.1
95.01407	3.2
96.04536	1.0
97.02915	0.9
99.00875	0.7
101.02448	28.1
102.02805	0.9
102.84216	0.7
109.01731	1.0
110.02474	2.6
111.00934	0.8
113.02453	17.0
113.09720	1.1
114.02763	1.1
116.05109	0.7
119.03505	20.5
123.03274	2.6
125.02418	0.8
131.03485	1.5
143.03513	2.9
149.04579	1.1
157.08641	1.4
161.04491	1.8
164.07150	0.8
175.09782	1.9
176.03529	0.8
179.05626	3.2
196.07701	1.8
214.08810	2.2
258.07748	2.6
337.15048	100.0
338.15421	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	338.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	24.8
71.01375	7.8
71.61704	1.9
73.02918	1.3
77.03931	1.5
81.94061	0.9
83.01398	1.6
85.02962	1.7
87.00867	4.5
89.02467	2.0
99.00880	73.3
100.01176	1.9
101.02450	2.2
104.05045	3.8
109.02940	1.3
111.00847	2.1
113.02416	1.4
115.00358	2.5
118.06636	9.7
130.06555	1.6
141.01927	1.5
148.04044	67.3
149.04379	2.9
159.02983	18.9
159.04337	1.3
160.04080	10.6
161.04837	2.6
162.05606	100.0
163.05916	6.0
174.05609	8.4
174.79227	1.0
175.02501	1.7
176.07166	3.0
177.01952	5.9
186.05615	3.7
188.03516	6.4
190.05061	11.4
194.04572	3.5
202.05101	5.3
204.06653	21.3
205.06578	1.5
206.04596	1.3
214.08704	1.7
216.06616	1.8
218.04550	9.5
220.06139	27.8
220.60910	1.1
221.06458	2.3
230.04660	1.8
232.06073	1.4
236.05676	5.7
246.07677	6.1
248.05591	4.7
258.07712	2.5
260.05637	18.0
309.99652	1.1
320.07742	52.5
321.08102	4.7
338.08795	43.2
338.18729	1.2
339.08374	2.3
350.24014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03463	1.0
59.01384	15.5
69.03461	0.9
71.01385	10.8
72.99326	1.1
73.02955	1.7
81.03468	1.5
83.01411	1.5
83.05019	1.6
85.02954	5.8
87.00891	2.8
87.04530	0.7
89.02449	6.9
93.03470	5.5
95.01418	1.2
99.00899	1.6
101.02456	5.3
109.02968	2.6
111.00905	2.0
111.04558	3.7
111.08187	1.0
113.02465	3.8
113.99605	1.2
119.05037	57.5
120.05362	2.7
123.04456	0.6
125.02451	5.2
127.04072	1.1
129.09224	1.3
134.72636	0.6
135.04515	1.2
136.46452	0.7
137.02435	4.1
138.03212	1.5
139.00294	0.9
139.04033	1.0
141.01901	0.8
147.04523	0.7
151.04027	1.2
153.01936	3.0
154.99847	1.0
155.03494	2.3
157.08714	5.3
161.02478	1.1
161.04578	2.2
163.04021	100.0
164.04349	6.0
165.01901	3.1
166.02618	0.7
167.03496	1.7
173.04538	6.0
174.01744	1.1
175.04102	0.8
175.09816	3.7
176.03581	2.1
177.01941	1.9
191.03706	0.9
191.05629	14.5
192.05823	0.8
201.10381	1.0
203.07104	1.3
205.05034	1.0
218.08170	0.9
219.02995	0.7
221.08151	1.5
233.04553	1.0
249.07776	0.8
277.05542	1.6
293.06583	1.6
294.04044	1.3
319.04474	0.7
337.08072	4.9
337.15005	23.4
337.18542	1.1
338.08954	1.7
338.15347	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03440	0.7
59.01382	8.2
65.67379	0.5
69.28729	4.8
71.01382	3.8
72.99312	0.6
73.02968	0.7
81.03411	0.7
83.00075	0.5
83.01336	0.5
83.05036	0.9
85.02942	3.2
87.00896	0.8
89.02448	1.5
93.03450	2.7
95.01421	0.7
98.19904	1.0
101.02448	3.2
109.02985	0.6
111.04530	2.8
113.02436	1.9
113.73676	0.5
115.00373	0.8
119.05028	56.2
120.05415	2.5
120.99664	0.5
125.02417	1.7
127.04028	0.8
129.09198	0.6
137.02420	1.1
138.16505	0.5
139.04012	0.6
145.02927	0.5
153.01982	1.2
155.03546	2.4
157.08708	2.0
161.04469	0.7
163.04010	100.0
164.04346	5.5
165.01964	0.6
167.03471	0.5
167.62138	0.5
173.04579	4.8
175.09778	1.6
176.03549	0.8
184.15009	0.5
191.05623	13.6
192.06017	0.5
203.07024	0.5
226.39969	0.5
337.09201	3.2
337.15036	9.2
337.19000	0.7
338.08725	0.5
338.15503	1.0
339.90228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
59.01382	5.9
61.84203	0.9
68.99803	3.3
69.89737	5.6
69.90076	1.4
71.01380	8.7
73.02926	2.7
78.95904	42.3
80.49758	0.8
83.01415	2.0
85.02934	5.7
87.00866	2.7
89.02446	7.2
95.01388	1.8
96.96963	95.4
99.00879	6.9
101.02451	10.7
104.99799	0.9
105.83974	0.8
111.00868	2.5
113.02447	7.2
113.99581	17.5
115.00400	6.0
119.03493	4.0
127.00364	3.1
129.01924	3.7
131.03479	2.0
149.04514	2.3
157.01433	5.5
158.08235	3.2
169.01418	1.4
174.01697	17.6
175.02272	1.9
179.05659	2.1
197.42804	1.0
239.07613	1.5
277.05600	18.5
278.06009	1.5
337.07758	100.0
338.08075	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
57.03438	1.0
59.01369	2.4
68.99812	2.6
69.03445	1.2
71.01383	3.0
71.31386	1.3
72.99300	0.6
73.02932	1.4
75.00873	1.3
83.01389	1.5
85.02959	6.9
87.00883	2.5
89.02437	0.9
90.69736	0.5
95.01392	1.0
97.02951	0.9
99.00871	6.1
101.02438	2.4
111.00877	2.4
113.02454	7.3
113.99586	22.3
115.00393	6.9
124.80788	0.5
127.00361	3.0
129.01950	3.2
139.00357	1.0
141.01920	0.9
145.46024	0.6
157.01437	5.1
169.01416	0.9
174.01711	19.1
175.02388	2.1
181.99211	0.7
219.08736	0.7
230.60205	0.7
235.35689	0.6
277.05630	21.2
278.06006	1.5
337.07758	100.0
338.08044	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	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.8
68.99811	4.0
69.68522	6.9
71.01385	6.9
73.02955	2.2
75.11043	0.9
78.95905	39.7
80.09052	1.4
83.01387	1.9
85.02943	6.2
87.00858	2.7
89.02449	6.2
95.01387	1.3
96.96069	6.0
96.96967	85.0
99.00867	4.7
101.02450	9.9
111.00911	1.4
113.02438	6.6
113.99591	17.2
115.00394	5.2
119.03516	2.7
127.00417	3.3
129.01936	1.7
131.03589	1.3
139.00400	1.2
149.04559	2.0
157.01379	4.1
169.01462	1.7
174.01711	16.9
175.02426	2.1
184.86047	1.0
223.90424	1.1
239.07695	1.8
277.05685	19.4
278.06137	1.5
308.78287	1.2
331.54901	1.3
337.07764	100.0
338.08170	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	336.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.6
59.01374	21.8
59.41915	5.2
61.98835	90.5
83.01404	7.3
83.05016	9.2
99.04507	6.2
100.50255	5.7
114.23988	5.2
153.01920	20.2
247.16859	9.4
257.78226	7.2
273.22275	11.1
291.22659	6.5
292.20053	7.2
293.17752	14.2
293.21191	22.4
293.24432	9.1
335.18640	11.7
335.22266	90.7
336.15366	11.0
336.18848	46.7
336.22620	100.0
337.16519	34.5
337.20187	48.6
337.23813	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	337.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66726	0.7
55.01884	0.9
55.43830	0.7
59.01376	5.9
59.07242	0.9
68.99825	2.0
71.01378	6.8
71.60812	1.2
73.02942	1.9
75.00880	1.2
78.95907	41.3
83.01395	2.0
85.02963	5.3
87.00859	1.4
89.02452	8.4
95.01418	1.1
96.96967	87.5
99.00902	4.3
99.01422	0.9
101.02449	12.0
111.00896	1.3
113.02473	5.6
113.99599	18.1
115.00403	7.4
119.03500	4.3
127.00387	3.4
129.01935	2.7
131.03519	2.2
149.04555	2.7
157.01419	3.2
158.08235	5.7
161.04597	0.9
169.01410	0.9
174.01697	16.2
175.02409	2.2
179.05586	2.2
221.06630	0.9
239.07571	1.4
277.05658	18.7
278.06015	1.0
337.07767	100.0
338.08130	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	337.0542
Annotation	AICAR
Peak:m/z	Relative Intensity
55.01859	0.9
59.01382	5.9
62.98887	0.6
63.84086	0.6
66.53622	0.6
71.01374	5.3
71.09792	1.3
73.02948	1.6
75.00830	0.8
78.95906	47.6
79.87074	0.7
83.01385	1.9
85.02957	1.4
87.00912	1.1
89.02444	5.8
96.96082	4.6
96.96966	100.0
99.00856	1.1
101.02441	9.9
108.78262	0.7
113.02454	3.0
113.99570	5.7
115.00393	2.0
119.03519	4.9
129.01956	1.0
131.03487	2.2
143.03481	1.3
149.04544	3.7
157.01404	1.1
174.01697	4.3
179.05544	1.1
239.07762	1.6
277.05664	4.9
337.07806	28.8
338.08127	2.2
351.29532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	5.7
59.01384	100.0
69.86372	20.3
71.01393	27.5
72.99340	5.1
73.02958	5.0
78.95911	47.7
82.67818	3.8
83.01411	5.6
83.94332	3.5
85.02951	12.4
87.00877	8.4
88.35200	3.4
89.02442	25.4
93.03456	14.8
96.96037	4.7
96.96967	87.4
98.20590	7.0
99.00893	8.6
101.02451	32.6
109.02959	6.9
113.02451	13.7
113.99595	11.8
115.00352	6.0
119.03491	10.0
119.05024	13.4
131.03560	4.5
132.78897	3.8
134.83353	4.0
136.16492	3.6
137.02481	23.0
148.88675	4.7
153.01900	7.1
157.05019	5.0
161.04546	8.0
163.04019	23.2
166.76538	3.3
174.01657	10.6
175.09796	11.0
176.03496	4.1
179.05661	5.7
256.37756	4.2
277.05557	13.2
277.13086	6.1
281.31674	3.9
329.71347	4.3
337.04666	5.6
337.07892	52.4
337.11395	8.9
337.14883	11.0
338.08347	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	335.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56659	6.5
57.03448	7.0
59.01380	83.4
70.32800	24.6
70.33406	6.8
71.01388	58.1
72.99303	9.9
73.02957	17.0
74.99115	7.9
83.01395	7.2
85.02961	46.6
87.00891	9.2
89.02448	44.3
95.01422	9.5
98.20566	7.3
99.00895	8.7
101.02441	48.3
113.02451	29.3
119.03481	12.6
120.99630	23.6
125.02444	8.6
130.50574	6.2
136.99139	13.3
137.02457	7.5
155.07137	23.7
161.04564	21.6
169.08760	9.2
173.08171	37.5
205.05048	9.2
213.07703	28.8
219.11462	7.9
229.04987	9.8
231.02950	9.1
247.06194	7.0
273.03934	10.5
335.04019	15.2
335.07724	6.9
335.09204	8.7
335.13419	100.0
335.17151	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39635	1.0
57.03436	1.7
58.00586	3.7
59.01380	83.9
60.01722	1.2
64.80049	0.9
68.62730	1.0
70.37133	2.3
70.37537	1.3
71.01385	47.9
72.99311	4.4
73.02953	2.8
83.01392	3.8
85.02953	11.2
87.00870	2.6
89.02444	46.5
89.02906	0.8
90.24220	1.0
94.54132	0.9
95.01389	2.8
97.22820	0.8
101.02443	37.8
103.71822	0.9
111.00872	1.0
111.08150	2.1
113.02452	19.1
117.12664	1.0
119.03505	25.3
125.02456	1.4
127.44061	1.0
131.03514	2.1
143.03499	2.6
149.04527	1.3
155.07141	7.0
161.04576	3.6
173.08244	5.8
179.05609	3.4
183.23398	1.0
226.38431	0.9
244.56949	1.0
291.10608	1.3
335.13470	100.0
336.13708	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	334.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02863	11.5
63.64666	11.0
69.39086	100.0
77.45283	12.3
96.99054	11.7
173.34357	16.0
222.16660	12.4
334.17328	16.7
335.18570	38.2
335.22229	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	335.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	14.0
58.08469	0.6
59.01383	3.9
61.98830	1.6
69.56076	1.9
69.56499	3.2
71.01397	4.5
72.96181	0.7
72.99310	0.7
73.02951	2.1
75.45121	0.7
79.07368	0.6
81.03457	2.4
83.01381	3.0
83.05001	1.0
85.02953	1.8
87.00877	1.0
88.50989	0.7
89.02446	1.3
91.05555	0.7
91.63245	0.7
93.03455	5.5
97.02929	1.2
99.00854	1.0
101.02439	2.7
108.40408	0.7
109.02956	10.7
111.00863	1.5
111.04540	1.9
111.08170	2.0
111.65953	0.7
113.02454	2.1
119.03481	0.8
120.99616	0.8
121.02948	5.7
125.02448	100.0
126.02775	3.4
129.01869	0.6
133.02954	2.9
134.03731	1.2
135.04524	18.5
136.04903	1.0
137.02449	28.9
149.02438	6.6
151.03983	1.5
155.03490	1.0
161.02434	5.0
161.04556	1.2
164.01154	2.0
165.01950	12.6
170.90131	0.9
173.04744	0.8
173.08206	3.5
173.11783	1.0
177.01930	75.3
178.02252	4.6
179.03487	17.3
189.63199	0.6
217.05113	1.0
235.06120	2.0
241.05009	0.7
259.06149	3.1
261.03943	1.1
285.04034	1.7
303.05084	4.9
335.07971	6.6
335.11896	1.2
335.17102	3.8
335.20898	3.4
342.77518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65842	5.4
59.01382	46.6
71.00095	11.8
71.01381	36.4
81.00420	4.9
85.02970	11.8
87.00867	6.1
87.75665	4.7
89.02451	24.9
94.19804	5.0
101.02450	21.7
112.04049	100.0
113.02435	15.0
119.03487	8.0
124.06082	5.9
127.00364	7.3
136.04050	28.7
153.47041	4.8
154.05078	5.9
161.04561	11.8
161.97342	5.7
164.13576	5.1
179.05522	7.4
179.28632	5.1
213.07806	12.2
221.06664	6.0
297.11899	20.6
313.59879	5.6
333.09839	28.4
333.15781	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35796	0.5
53.14803	0.5
54.03139	0.4
60.38063	0.4
64.01899	0.5
69.37490	4.3
78.03493	0.9
80.05064	0.8
92.05054	1.7
94.06627	4.0
103.04263	0.5
104.05077	3.4
105.02853	0.5
105.03445	2.6
106.06628	12.4
107.03778	0.9
108.04555	1.5
120.04553	6.9
121.05376	1.2
122.02521	0.7
122.06127	13.5
123.03253	2.4
123.06421	0.6
124.07719	0.6
131.03769	1.0
132.04562	8.3
135.03299	0.7
136.04018	0.7
138.05614	25.3
139.05954	1.0
148.04105	1.1
150.05566	2.7
166.05032	0.8
173.08502	0.7
175.11871	0.5
175.22932	0.5
184.11336	0.6
188.07082	0.6
189.08003	1.1
200.05789	0.5
215.11870	1.6
217.07416	1.2
218.56517	0.5
225.10454	0.5
229.09657	0.7
231.08974	1.2
231.11264	0.8
241.09868	2.6
243.11313	2.5
271.11032	0.8
289.11938	100.0
290.12286	9.7
294.87161	0.5
333.10828	6.4
333.13950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2435
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
57.03435	2.4
71.53807	1.1
83.05022	3.0
85.06575	0.7
121.02874	0.7
200.87529	0.6
210.70474	0.8
219.17531	1.9
231.17540	1.0
271.20581	1.6
289.21744	8.1
290.22095	0.8
333.20642	17.3
333.24301	100.0
334.20987	1.9
334.24670	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	331.2489
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
58.00595	0.6
59.01383	0.3
64.58336	0.2
70.31356	0.2
70.85581	0.7
74.13000	0.3
74.42622	0.3
106.57235	0.2
121.26508	0.3
125.09746	1.4
127.11298	6.7
143.10785	1.7
151.00366	1.0
155.10794	1.9
157.12318	3.5
171.10239	2.2
185.11894	0.4
187.13422	0.9
201.11313	1.6
211.02470	0.4
216.44305	0.3
232.54799	0.3
259.55551	0.3
295.22836	1.5
296.22748	0.3
311.22226	1.0
313.23843	8.1
314.24194	0.9
327.21878	0.3
329.23276	3.9
331.24884	100.0
332.25232	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	331.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.0
60.01713	0.8
61.98832	100.0
71.60670	0.7
117.00487	0.5
159.01500	2.7
160.01614	2.5
161.01224	2.8
161.98901	3.1
162.01764	0.6
171.97350	2.3
177.90385	0.4
187.01012	1.0
188.01125	4.0
188.89778	0.5
189.00748	5.1
189.98453	44.3
190.00279	2.1
190.98480	3.7
201.02577	6.6
202.02803	0.8
203.02408	0.9
203.99988	8.0
205.00270	0.7
267.28955	0.4
313.98727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24586	0.3
59.01380	5.9
63.91471	0.3
69.94491	0.3
71.01385	5.1
71.61484	0.5
72.99312	0.9
73.02962	0.8
83.01406	0.9
83.04989	0.3
85.02963	1.8
87.00868	0.7
89.02451	3.6
95.01376	0.6
95.03740	0.6
96.08199	0.8
97.01701	0.4
97.02925	0.4
101.02453	3.0
109.01747	0.5
109.02956	0.5
109.05338	0.6
110.02452	0.4
113.02476	1.9
119.03495	1.6
120.99677	0.6
122.06142	0.9
123.03257	0.4
124.06865	0.3
124.07683	7.1
125.02435	0.6
126.02756	0.5
137.02441	0.4
137.04831	3.0
140.07190	0.8
143.03505	0.4
149.02702	0.3
149.04515	0.3
152.07172	100.0
153.01845	0.3
153.07506	4.9
158.06197	0.3
161.04532	0.9
161.23868	0.3
165.02019	0.4
169.03702	0.4
170.00974	1.2
170.08194	1.8
171.10263	0.6
179.05672	0.5
264.50244	0.3
332.07251	1.9
332.13562	4.8
333.14035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41210	0.7
59.01381	100.0
60.01709	0.9
65.50911	0.7
69.03457	0.8
71.01389	7.4
71.62319	1.1
72.26334	0.8
73.01180	0.9
73.02929	2.1
85.02964	3.6
89.02479	1.4
95.01405	0.9
95.27826	0.8
99.00876	1.4
101.02465	4.9
113.02448	3.0
120.99666	1.2
121.81746	0.8
122.92017	0.8
124.01605	0.9
125.02457	3.7
125.25928	0.8
126.83569	0.7
147.07689	0.8
149.99617	1.3
150.54509	0.7
153.08154	0.8
161.04587	4.1
168.00623	3.5
168.04291	1.4
200.09854	1.0
232.16473	0.9
243.07031	1.1
271.19083	0.9
328.55368	0.8
331.07123	3.9
331.13614	1.3
331.17529	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	331.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28820	0.4
54.47931	0.3
59.01381	100.0
60.01715	1.1
70.16344	0.8
70.16739	0.7
78.02118	0.4
79.67329	0.4
87.93601	0.3
98.20550	0.5
124.75247	0.4
179.39485	0.4
237.15033	0.6
239.16664	0.8
271.19214	3.2
331.21362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1036
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
69.48891	0.4
70.10429	1.9
71.01382	1.3
72.99313	0.5
82.00586	0.8
85.02953	2.0
86.86060	0.4
97.03059	0.4
99.00876	0.5
101.02448	0.9
108.02189	0.4
110.00108	7.3
113.02432	3.3
123.00798	0.6
124.01668	0.5
125.02452	6.4
126.22141	0.4
137.99579	9.3
138.03200	0.5
139.00394	2.7
140.01089	0.6
151.04021	0.5
152.01147	3.5
153.01939	100.0
154.02405	4.8
155.03505	3.3
161.04556	1.2
166.02754	1.1
167.03496	11.8
168.04285	54.5
169.01353	0.4
169.05049	9.1
176.01085	0.5
179.03520	0.8
181.01437	0.5
191.03429	1.0
196.03752	0.9
209.04469	1.0
211.06090	1.0
218.06970	0.4
331.06903	0.9
331.10349	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29633	0.9
55.01870	4.4
57.03452	5.8
58.00589	3.6
59.01381	77.3
59.55054	1.0
65.05148	1.0
69.03457	4.5
70.38801	3.3
71.01385	100.0
71.05030	1.7
72.01730	1.8
72.31153	1.1
72.99316	6.3
73.02950	22.9
74.10276	1.0
75.00888	1.7
79.95747	1.4
81.03481	1.5
83.01393	11.0
83.05052	1.1
83.70029	1.0
84.02188	1.2
85.02956	37.3
87.00885	3.6
87.04556	1.6
88.91022	1.2
89.02448	39.3
90.09023	1.0
95.01385	6.6
96.96027	2.3
97.02942	3.4
99.00891	9.8
99.08154	2.0
101.02441	64.4
102.02792	1.8
109.02965	1.8
113.02453	38.8
114.02776	1.3
119.03501	15.8
123.00871	1.6
124.01653	3.9
125.02461	15.4
129.01996	1.6
131.03526	3.1
137.09724	5.1
143.03470	3.4
149.04572	1.2
149.99586	6.1
151.11279	1.4
153.01942	4.3
155.10785	24.2
156.11201	1.5
159.02960	6.7
161.04556	28.0
165.45985	1.0
167.03523	2.0
168.00647	10.9
169.01608	1.0
169.12328	9.0
179.05640	1.1
181.08670	1.5
199.09744	20.4
200.10033	1.1
239.26114	1.3
241.10896	7.3
274.10718	1.1
285.07727	1.9
307.43524	1.1
331.06796	15.8
331.12292	3.7
331.17554	7.8
332.07266	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03448	0.5
69.03448	2.8
70.01863	1.6
79.01891	0.5
79.04305	0.4
81.03456	1.3
83.01396	2.0
95.01368	1.2
97.02942	2.9
107.01423	2.0
123.00888	4.5
124.01669	15.9
124.82943	0.4
125.02450	66.0
126.02780	2.6
137.02364	0.7
149.99593	28.2
151.00397	5.9
167.03496	1.5
168.00642	64.6
169.01389	7.2
175.00238	0.7
193.01453	0.8
275.28925	0.4
313.05643	7.6
331.06699	100.0
332.07007	9.4
348.40863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03462	2.2
70.08639	2.1
77.17360	0.4
79.01886	0.9
81.03452	1.0
83.01388	1.5
87.92136	0.4
95.01378	0.7
97.02976	2.4
107.01387	1.0
114.85382	0.4
123.00882	4.3
124.01674	13.9
124.02596	0.7
125.02451	52.7
126.02784	2.1
137.02408	0.6
149.99588	25.2
151.00340	2.4
153.01910	1.1
167.03519	1.1
168.00641	55.0
169.01392	4.8
183.95790	0.4
193.01492	0.6
212.76700	0.4
219.98416	0.6
238.34326	0.4
283.72943	0.5
313.05615	5.6
314.05841	0.5
331.06689	100.0
332.07001	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	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.49268	1.1
58.33180	1.3
59.01386	11.4
61.98843	24.5
69.82784	6.4
69.83156	2.6
71.01392	9.3
72.99284	2.1
73.02945	1.9
77.91179	1.6
85.02962	5.0
86.00110	3.9
87.00882	21.4
89.02445	4.3
95.01343	1.5
98.20539	1.6
99.00914	1.9
101.02463	3.9
107.03764	1.4
107.61627	1.2
108.04527	1.4
110.02353	1.3
113.02464	3.2
119.03417	1.4
121.05318	3.9
122.06134	37.4
123.06445	1.7
124.01705	1.3
124.04037	2.0
125.02448	7.2
128.31578	1.2
134.06137	5.4
135.03244	1.5
136.04053	1.9
136.07693	17.5
138.05652	2.2
148.07687	2.1
149.99597	2.9
150.05618	100.0
151.05943	4.4
151.66505	1.3
152.07155	8.6
161.04762	2.1
161.36787	1.4
162.05608	3.5
164.07172	3.4
168.00661	6.7
168.02992	1.8
169.01498	1.7
174.05585	2.0
175.06371	3.2
176.07176	7.9
194.08295	5.6
204.06651	2.5
209.94080	1.3
218.00896	1.1
222.07738	3.3
252.08815	3.3
306.88892	1.2
312.10904	49.5
313.05695	1.4
313.11285	4.6
330.04697	4.3
330.11990	28.7
331.06656	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	330.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	50.0
59.98744	8.6
61.98833	100.0
69.11597	9.1
70.06525	9.2
70.79906	9.1
71.63541	9.8
76.78419	8.8
77.38813	8.5
81.27532	10.0
96.95988	9.0
104.37553	8.6
108.64822	8.0
125.02469	11.1
140.15555	10.2
153.01920	13.0
157.12288	11.4
168.00668	14.4
204.20998	9.3
212.56392	8.7
236.55424	10.3
267.15979	12.7
287.19968	17.2
308.46902	10.1
330.14160	10.6
330.23636	62.8
331.15585	15.5
331.19043	28.8
331.24789	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01368	1.7
68.39189	0.6
69.03466	1.4
70.35729	0.5
71.01374	1.9
71.61844	0.8
72.99299	0.7
75.76523	0.6
80.96460	0.5
83.01365	1.5
85.02946	1.1
97.02953	0.8
99.45369	0.6
101.02451	0.8
109.02939	2.1
120.99656	100.0
121.02965	1.9
121.99980	1.2
122.03737	23.6
123.00933	0.8
123.04521	1.8
124.01665	1.8
125.02462	5.8
132.02213	0.6
137.02467	0.9
137.06081	14.5
138.06447	0.9
147.04538	1.4
149.02449	5.9
149.99580	2.3
150.03232	9.1
151.04015	1.1
153.01938	2.1
161.06076	0.7
163.04019	0.7
164.04852	1.2
165.05571	32.3
166.05933	2.1
167.03520	1.8
167.06180	2.0
168.00677	4.4
168.04068	0.8
169.01419	1.3
169.03952	0.8
175.03929	0.5
176.68095	0.6
179.03511	1.8
182.13992	0.6
196.14612	0.5
197.07220	2.5
209.04536	2.3
239.04710	0.8
243.03217	0.6
270.05527	0.8
270.09290	0.5
285.07797	1.7
287.09445	0.7
300.10129	1.1
301.07196	1.2
316.09610	1.5
331.07880	6.2
331.11969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03440	1.2
57.70757	0.6
59.01386	6.8
65.36967	0.6
71.01386	0.9
71.63461	0.8
73.02945	0.9
74.94878	0.7
91.60155	0.7
92.74828	0.7
93.03474	0.8
99.08156	2.2
99.80315	0.7
121.02966	7.4
121.10279	0.8
122.03316	3.0
125.09700	3.4
127.11301	7.3
129.00208	0.7
135.05524	0.6
137.09700	1.0
138.06400	1.0
139.11293	7.2
149.02422	1.7
155.10799	2.2
161.04852	0.8
165.09267	0.8
167.03535	0.9
171.10281	29.4
172.10672	1.4
176.07082	1.2
177.07472	1.4
183.10204	0.8
199.09695	0.8
199.13414	2.6
201.11336	20.7
202.11682	0.9
211.13408	3.7
213.05318	0.8
229.14262	1.3
239.03581	0.9
249.22191	1.0
267.17337	1.2
275.20200	2.7
285.04111	5.1
285.18640	2.5
293.21277	2.6
311.22168	3.6
312.22406	1.3
314.15131	1.8
318.57001	0.8
329.03046	1.1
329.17886	10.7
329.23334	100.0
330.17703	1.3
330.23651	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	330.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73071	1.7
58.00569	4.8
59.01379	100.0
69.49870	14.7
71.01381	53.9
72.99294	4.2
83.01392	2.9
85.02956	9.2
87.00898	1.9
89.02445	55.4
93.47626	1.6
95.01374	3.8
95.26923	1.6
96.34303	1.9
98.20628	3.4
100.22418	1.7
101.02443	27.4
108.02177	1.9
113.02444	25.6
119.03497	21.0
120.99707	2.6
122.03733	3.3
125.02399	3.7
138.01901	7.2
143.03459	4.6
151.02713	4.4
152.03517	22.1
161.04488	3.5
166.01489	9.3
168.00710	4.3
168.03012	75.7
179.05617	6.4
180.02936	2.2
182.08138	3.7
183.01712	2.1
192.02954	4.8
210.04105	17.1
210.75589	1.8
211.04266	2.1
222.04076	7.2
240.05037	5.3
270.06192	4.9
330.08279	79.1
331.06708	2.9
331.08807	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	329.2335
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
59.01366	0.8
68.57195	0.7
69.27021	4.0
69.27443	3.2
72.09556	0.7
79.99572	0.7
94.92777	0.7
99.08165	8.1
107.86040	0.7
115.32813	0.7
125.09721	1.7
127.11317	4.1
129.12527	0.8
136.95982	0.8
139.11314	4.1
144.82130	0.6
167.14404	1.5
171.10269	12.2
183.13898	5.2
193.12320	1.8
209.11845	1.6
211.13403	29.8
212.13715	1.3
229.14433	15.2
230.14732	1.0
278.39063	0.6
293.21545	1.0
303.53607	0.8
329.23349	100.0
330.23718	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	329.2333
Annotation	9,10-Dihydroxy-12,13-epoxyoctadecanoate
Peak:m/z	Relative Intensity
53.33662	0.6
57.03454	3.7
59.01386	5.6
67.55271	0.7
67.61767	0.6
69.03464	0.6
70.08607	1.6
70.09002	1.0
75.34298	0.6
83.05022	1.2
95.05040	1.0
97.06592	9.8
98.19967	0.8
99.08141	0.8
121.02941	3.9
122.03295	1.3
123.08172	5.8
125.09728	53.7
126.10062	2.1
127.11289	6.0
139.11293	2.3
149.02454	1.8
151.00273	0.7
153.62006	0.6
155.10748	3.7
159.96019	0.5
166.02579	0.6
169.08743	1.3
171.10252	2.5
173.11824	100.0
174.12177	6.5
187.09749	2.0
201.11282	0.8
211.13470	0.7
229.14439	0.7
247.13420	2.4
285.18698	0.8
314.11752	0.7
316.60941	0.7
329.17056	2.0
329.23340	73.6
329.26718	3.6
330.23712	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03455	0.5
58.00595	0.9
59.01376	2.5
73.02963	0.5
84.02182	0.8
93.49248	0.3
98.20676	0.5
121.02937	0.6
121.10234	0.7
123.08164	0.5
125.09735	4.8
127.11298	8.8
128.11688	0.4
128.49959	0.4
137.09721	1.1
139.11293	6.3
143.10748	0.6
149.02458	1.0
152.08203	0.5
155.10793	4.5
157.12314	0.5
165.09212	1.4
171.10272	40.0
172.10587	2.1
175.11244	0.4
183.10277	0.8
185.11813	1.5
199.09726	1.6
201.11314	25.7
202.11694	1.6
211.13229	0.4
213.11342	0.9
227.10837	0.8
228.15239	1.3
243.17540	10.4
244.17917	0.9
251.14445	0.4
267.17514	2.6
268.17630	0.4
269.15549	0.8
270.16373	0.3
275.20035	2.2
275.83148	0.3
282.96982	0.3
285.04034	0.6
285.18466	2.7
293.21262	2.4
311.22290	2.8
329.17578	61.2
329.23334	100.0
330.17920	8.2
330.23676	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	329.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69740	0.7
55.44486	0.7
57.03446	3.9
59.01362	2.0
60.71735	0.7
69.03474	0.9
70.38097	1.3
70.38445	2.4
78.64868	0.7
79.88313	0.8
83.05038	1.4
95.32825	0.7
97.06591	15.2
108.37252	0.7
109.02958	0.9
109.81120	0.8
111.08147	4.7
113.09729	2.5
117.03498	1.2
121.02954	3.4
123.08157	8.6
124.08504	1.3
125.09725	100.0
126.10064	5.1
129.09239	0.7
133.02950	1.5
137.02415	1.1
139.11282	2.3
141.09230	2.2
143.10791	2.1
143.40031	0.7
149.02509	0.9
159.10272	32.0
160.10625	1.5
161.02463	4.0
169.08734	2.2
171.10260	1.0
173.08105	0.9
173.11740	1.2
187.09776	22.5
188.08411	2.1
188.10016	1.4
201.05518	2.1
201.11261	1.7
215.07036	1.8
216.07870	1.0
227.07109	0.8
249.22121	0.9
253.12282	2.0
267.19656	6.4
268.14688	19.6
269.15070	2.6
282.16223	1.5
283.17041	2.1
285.03870	0.8
285.15067	1.6
285.18564	2.0
296.14206	7.3
297.14789	2.0
311.18839	8.9
311.22131	1.7
312.19019	1.7
313.14331	0.9
314.15286	13.5
315.15530	1.0
329.17133	31.9
329.19742	70.0
330.17627	5.6
330.20218	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	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03426	0.8
59.01093	0.9
59.01385	16.5
70.26746	0.7
71.01395	1.1
71.63703	0.9
73.02907	0.8
73.74345	0.6
83.05048	0.6
93.03481	0.6
96.22753	0.8
113.02495	0.6
121.02967	6.2
122.03313	2.5
125.09720	2.5
127.11285	5.9
139.11322	1.0
141.09261	0.6
143.10727	0.9
149.02438	4.5
151.04008	0.6
155.10751	1.3
157.12337	2.0
164.04810	0.6
166.02762	0.9
167.03535	0.7
171.10275	14.0
172.10652	1.1
176.07114	1.0
177.07503	1.5
180.48291	0.6
185.11920	0.9
201.11433	0.8
211.13448	0.8
225.09399	0.6
227.90254	0.8
269.17441	0.7
287.22360	1.9
311.22302	3.7
314.11465	0.8
327.21780	2.4
329.15952	2.2
329.20032	3.7
329.23322	100.0
330.23679	11.7
352.00146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03456	0.8
58.00599	3.4
59.01380	100.0
60.01719	0.9
61.46545	0.6
67.69935	0.6
69.39698	1.9
69.40123	3.3
71.01384	57.0
72.99303	3.5
73.02950	1.0
73.54581	0.6
83.01405	1.9
83.31374	0.6
85.02956	10.5
87.00877	1.9
89.02444	58.3
90.65405	0.6
95.00895	0.8
95.01398	4.7
97.43591	0.6
98.20571	1.1
99.00938	0.6
101.02444	30.4
102.02809	0.7
110.40919	0.6
113.02449	20.5
115.26122	0.6
119.03495	25.9
125.49082	0.6
131.03534	2.0
134.03745	20.5
135.04106	1.1
143.03542	2.5
149.04707	1.9
149.06073	21.2
149.07205	1.3
150.06403	1.2
152.04837	2.1
161.04570	0.9
167.07156	1.9
179.05644	1.5
216.57826	0.6
239.09848	0.7
326.44656	0.6
329.12442	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	329.1243
Annotation	Bartsioside
Peak:m/z	Relative Intensity
50.50737	0.6
57.03441	1.0
59.01382	100.0
60.01709	1.0
60.97398	0.6
61.23529	0.6
63.96247	0.8
71.01376	7.5
71.63882	0.8
72.14976	0.6
72.99332	1.2
73.02954	1.9
74.99075	0.8
80.08060	0.6
80.96527	0.8
85.02974	2.6
89.02469	3.0
101.02452	4.7
107.01422	0.7
109.02955	0.7
113.02454	2.7
119.03454	0.8
121.02937	1.1
122.03748	0.6
123.04524	1.2
125.02464	1.5
125.74897	0.7
134.03711	1.0
134.33611	0.6
135.04694	1.0
135.98383	1.9
138.76489	0.8
149.06125	1.9
157.12247	0.8
161.04556	3.9
163.00325	1.1
167.03481	6.9
167.07208	2.0
269.10367	3.6
329.06458	0.8
329.12238	2.8
329.16043	1.2
330.08325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01710	1.3
69.75678	6.1
71.01394	2.1
73.02949	2.4
80.96530	1.0
88.81451	1.0
89.02428	1.5
101.02398	1.3
121.02947	8.3
122.03288	3.2
135.00836	2.0
149.02513	1.2
157.98814	0.9
161.04787	1.1
162.05247	1.1
167.03532	7.6
167.07106	1.2
176.06978	1.4
177.07487	1.8
207.07870	1.2
269.17590	8.9
329.05911	2.0
329.12180	1.0
329.16046	6.1
329.19141	1.2
343.80963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67182	0.3
59.01378	1.8
59.52356	0.3
69.32064	2.9
71.00991	0.4
71.01387	7.5
73.02941	2.4
74.08170	0.3
83.01371	0.6
85.02953	3.2
87.00878	1.2
89.02460	0.9
95.01396	0.5
97.02962	0.4
99.00881	1.1
99.04552	0.4
101.02447	4.5
101.26545	0.3
108.02176	1.5
108.23366	0.3
109.02959	1.8
112.61775	0.3
113.02464	4.3
120.50579	0.4
121.02966	2.5
121.06583	0.6
122.03744	100.0
122.06087	1.8
123.04628	9.4
124.04014	0.4
124.04843	0.6
125.02419	0.3
129.01955	0.3
135.04526	1.1
136.07692	0.9
137.02411	1.5
137.06078	1.6
143.03517	0.8
147.04565	0.8
148.05231	0.3
149.06035	0.4
150.03226	0.4
150.05615	4.1
159.02971	1.2
161.04570	8.1
162.03157	0.5
165.05566	5.2
166.02631	0.5
167.03491	0.5
177.05588	1.9
263.42175	0.3
285.09805	1.5
312.10852	1.9
329.08752	3.7
329.12439	0.4
330.11996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
60.00151	0.3
71.01377	7.5
71.16181	0.8
71.16515	0.4
73.02944	3.0
81.03464	0.4
83.01401	0.5
85.02946	3.2
85.24679	0.3
87.00900	0.6
89.02438	0.9
95.01386	0.8
97.02958	0.4
99.00904	1.8
99.04511	0.4
101.02448	4.7
108.02218	1.8
109.02965	1.8
113.02451	4.7
121.02962	2.7
121.06604	0.6
122.03744	100.0
123.04624	10.4
135.04512	1.6
137.02449	1.5
137.06097	1.6
143.03537	0.5
147.04532	1.0
149.02380	0.5
150.03226	0.5
150.05637	1.7
152.01082	0.4
159.02991	1.5
161.04559	8.1
165.05569	5.3
166.02872	0.4
166.05875	0.5
167.03523	1.3
177.05553	2.2
285.09793	2.0
312.10892	1.0
316.31650	0.4
329.08774	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03429	1.1
58.00595	3.9
58.84608	1.0
59.01381	100.0
60.01698	1.0
69.39462	0.8
70.35550	1.7
70.35939	1.6
71.01385	58.7
72.01714	1.5
72.99303	4.3
73.02950	1.7
77.38898	0.8
77.42424	0.8
83.01384	3.0
85.02959	10.3
87.00852	2.3
89.02447	67.0
90.02812	1.4
95.01383	3.2
99.00882	1.1
101.02445	33.4
102.02757	1.2
102.15887	0.9
102.70627	0.9
104.68414	1.0
113.02453	22.1
116.04389	0.8
119.03504	24.2
123.04532	1.6
130.64546	0.8
131.03522	2.4
134.03746	22.9
143.03491	2.0
149.04790	1.6
149.06085	22.7
152.04768	2.3
161.04562	2.0
167.07106	2.0
170.37938	0.9
179.05571	2.2
224.12715	1.0
329.12228	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	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	46.0
61.98825	1.7
64.16806	0.4
69.26376	0.8
69.26781	4.2
87.00881	1.2
101.65585	0.4
115.02509	2.3
117.00431	7.6
121.03003	2.4
125.00963	0.7
126.98849	1.9
139.68933	0.5
143.01981	1.5
144.99947	1.1
156.99840	0.5
157.03523	0.7
159.01503	66.6
160.01640	4.6
168.99887	3.6
170.97855	5.7
171.01515	0.5
171.98016	0.5
176.07106	0.6
187.00992	100.0
188.00954	8.6
192.53036	0.5
201.02557	15.4
202.02690	1.0
217.00185	0.5
232.98228	0.7
241.00475	0.9
268.99902	0.6
274.09698	0.5
274.99316	2.7
287.01102	0.9
311.01080	1.0
328.96783	1.4
329.02271	2.7
329.15802	1.3
330.02203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
57.03452	0.6
59.01369	3.1
60.41527	0.5
64.49233	0.5
65.00322	0.5
71.01379	0.6
81.03455	4.0
83.01410	3.0
85.02949	0.6
92.65263	0.5
93.03482	1.0
95.05039	1.5
97.03008	0.5
98.20627	1.4
121.02947	3.4
122.03321	1.8
123.04527	39.2
124.04847	1.1
125.02445	5.0
137.02455	1.4
139.03978	0.7
147.04518	0.7
149.02435	1.1
151.00362	2.0
151.04021	1.7
156.68402	0.5
162.05212	0.5
163.04053	1.1
166.02730	1.3
167.03491	100.0
168.03851	3.9
175.00343	1.2
177.01938	1.0
179.03532	0.9
180.04280	0.7
181.05042	3.3
187.79599	0.5
191.03505	24.8
192.03880	1.5
209.04555	8.6
210.05051	0.6
221.04625	2.5
235.49257	0.6
269.06686	0.7
274.71878	0.5
301.06192	0.6
329.05536	1.7
329.08914	4.4
329.15598	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03456	1.0
59.01381	9.6
69.69507	2.4
71.01393	3.3
72.99314	0.7
80.96508	0.6
81.03455	5.1
83.01392	3.1
85.02950	0.7
89.02440	3.1
95.05047	0.8
98.20633	0.8
101.02436	2.3
107.01370	0.5
108.53350	0.4
113.02466	1.2
119.03514	1.5
121.02964	1.0
123.04529	33.1
124.01662	0.4
124.04846	0.7
125.02444	6.0
127.05137	1.0
134.03725	1.1
137.02501	0.5
138.03246	0.6
139.03999	1.1
147.04486	0.5
149.02444	1.4
149.06081	0.7
150.03262	0.5
151.00360	1.6
161.04359	0.4
163.00417	0.6
163.03928	1.0
164.01050	0.6
165.01915	0.6
165.05569	0.6
166.02672	2.0
167.03497	100.0
168.03896	4.8
177.01950	0.4
182.08282	0.5
191.03488	1.0
199.08153	0.4
205.01414	0.9
209.04561	0.9
247.13210	0.4
267.84607	0.5
289.32779	0.4
329.06281	0.8
329.11914	1.3
329.16013	1.1
330.10950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
71.93229	0.4
88.78695	0.4
99.56542	0.3
104.86160	0.3
121.02969	6.0
137.02438	0.4
137.06082	0.6
140.11476	0.3
151.03975	0.7
161.04814	1.4
176.07191	1.5
185.00832	1.4
267.26959	1.3
281.28488	1.1
294.16605	0.3
306.19778	0.4
309.28076	1.0
325.27588	0.6
327.18665	3.9
327.29056	100.0
328.15448	3.5
328.18521	0.4
328.29395	12.1
329.83875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2905
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.01419	1.0
56.83705	0.8
59.01384	100.0
59.05962	1.0
60.01716	1.4
64.20155	1.0
68.05198	1.1
70.43238	1.0
71.32085	1.9
71.32458	1.1
74.50733	1.0
77.01244	1.0
121.02962	6.4
160.03795	1.0
161.04813	1.3
165.22836	1.0
174.23010	1.0
176.07207	2.5
185.97144	1.0
295.92056	1.2
327.18240	4.1
327.29037	69.2
328.15561	4.1
328.29391	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1555
Annotation	Dehassiline
Peak:m/z	Relative Intensity
59.01381	5.7
67.01894	2.6
69.03458	5.7
69.57424	2.9
69.57809	0.9
71.01382	1.7
79.01894	3.9
80.96490	0.5
81.01734	0.4
81.03478	0.6
89.02453	1.4
93.03458	4.6
95.01392	1.6
97.02937	3.7
101.02410	0.9
103.39701	0.5
107.01384	8.9
107.05029	0.7
108.02180	0.8
109.02969	1.0
111.00885	2.9
113.02464	0.7
119.03468	0.7
121.02956	100.0
122.03831	9.1
123.00874	2.2
123.04040	0.5
124.01643	0.7
125.02451	7.2
132.42880	0.5
135.00909	3.8
135.04581	0.5
136.01653	4.0
137.02457	4.8
137.06090	10.0
138.03183	1.1
138.06413	0.9
149.02490	1.2
151.00380	10.8
151.04008	12.2
152.04401	0.7
153.01906	3.7
154.02704	1.5
160.04037	0.4
161.04822	19.7
162.05144	1.0
163.04041	2.0
163.88834	0.4
165.01855	0.7
166.02711	66.0
167.03496	8.2
175.06384	3.2
176.07162	27.9
177.01921	1.8
177.05618	0.4
177.07529	1.4
179.03499	0.5
190.08812	1.0
201.13785	0.6
204.06642	2.0
209.04549	2.8
221.04485	0.5
297.06097	0.8
328.15524	54.1
329.08841	8.0
329.15726	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	327.2541
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
52.68423	0.4
57.03455	0.9
58.52251	0.3
59.01380	0.6
71.01377	0.6
75.00880	2.4
93.03445	0.4
98.19855	1.2
102.05927	0.4
113.02422	0.4
121.02954	8.8
122.03711	0.8
137.02473	0.4
137.06084	0.8
151.03966	0.9
158.05270	0.4
161.04851	2.0
176.07170	2.5
185.00728	0.8
237.22287	0.5
255.23355	0.6
263.23776	1.2
265.25351	70.7
266.25705	8.3
269.24829	0.7
281.24847	0.4
283.26465	1.9
284.26471	0.4
297.24234	0.9
309.24365	22.0
310.24756	2.3
327.18484	2.6
327.25394	100.0
328.15506	5.8
328.19278	0.5
328.25745	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
53.66191	0.2
54.71346	0.2
58.56424	0.3
59.01365	0.5
67.01894	0.3
75.00867	0.5
83.05040	0.3
85.17368	0.2
85.72874	0.2
93.31133	0.2
94.10986	0.2
121.02966	6.7
122.03782	0.6
125.76806	0.2
133.43230	0.2
137.02412	0.3
137.06129	0.5
151.03995	0.8
161.04800	1.3
175.06279	0.2
176.07181	1.6
184.01498	0.2
185.00797	0.8
211.13422	0.3
281.28522	4.2
282.28738	0.6
309.28018	0.8
325.27570	0.8
327.18842	2.0
327.29034	100.0
328.15533	4.3
328.29401	11.8
328.32635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12646	2.6
50.23008	2.5
50.78203	2.6
57.03461	5.5
59.01381	19.4
59.65350	2.7
67.01900	3.2
69.03481	3.0
70.40771	11.0
71.01392	4.7
83.05048	8.4
93.03468	7.4
95.05074	3.9
96.97336	2.4
97.06595	5.9
101.75808	2.5
109.02830	3.0
113.09706	3.3
121.02962	100.0
122.03758	9.8
123.00903	3.4
123.08154	6.8
125.09722	12.5
127.11270	3.9
129.05559	10.1
137.02484	5.5
137.06071	11.4
137.09712	5.1
149.02414	17.2
151.04048	14.7
151.11307	3.8
153.01932	2.7
154.02797	3.5
155.10793	7.5
161.04826	19.6
164.04848	3.4
165.12750	3.8
167.10771	3.3
167.27843	3.1
171.10271	28.0
175.06363	5.6
176.07191	27.8
179.10660	2.5
181.12314	2.8
182.83220	2.5
185.11844	12.5
186.12263	3.2
201.11275	6.2
211.13516	3.4
213.11266	3.5
215.16516	5.2
219.56331	3.2
247.20787	3.1
263.20111	3.0
265.21875	3.0
291.19601	3.0
312.10159	3.9
327.12335	6.0
327.15942	5.7
327.21609	22.3
328.12054	4.9
328.15585	65.3
328.21982	2.8
334.53677	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	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.19536	0.4
56.15377	0.4
57.03454	1.8
59.01402	0.6
65.48310	0.4
69.03477	1.0
69.31751	4.2
71.01390	0.5
79.73449	0.4
83.05023	0.8
85.02954	5.2
95.05039	0.7
95.15802	0.4
95.74351	0.4
97.02959	0.5
97.06603	3.7
117.86712	0.5
125.09760	1.1
127.11260	1.1
137.09715	0.7
148.98972	0.4
155.10753	0.5
165.12907	0.7
167.14392	0.7
171.10283	9.8
172.10597	0.4
177.12825	1.0
183.13939	3.0
185.11845	1.0
193.12402	1.1
204.34293	0.5
206.88422	0.5
209.11804	1.3
211.13399	15.7
212.13747	1.3
221.11809	2.4
229.14442	10.1
230.03181	0.4
230.14938	1.1
239.12997	1.4
247.20631	0.4
291.19736	2.6
309.20731	1.0
327.21768	100.0
328.22092	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03432	2.3
58.00587	1.1
59.01381	18.0
69.03455	5.9
70.86592	1.0
71.01389	1.7
71.30574	2.0
74.11850	0.9
82.84043	1.0
83.05027	1.8
84.42557	1.2
85.02946	3.0
93.03461	1.9
97.02931	1.1
97.06522	1.6
108.05794	1.5
111.08162	3.2
119.08650	7.4
121.02961	41.5
122.03745	2.7
125.09713	6.1
127.11281	3.3
135.08144	4.3
137.02388	2.6
137.06067	4.4
137.09727	29.1
138.10075	2.0
147.08130	1.6
149.02422	1.2
151.03998	4.4
152.66774	1.0
153.02020	1.3
153.09212	2.0
154.02780	1.2
155.10692	1.4
161.04842	8.1
169.12335	2.0
171.10274	100.0
172.10600	4.8
174.84221	1.1
175.06270	1.2
176.07188	10.8
181.10303	1.3
183.11758	2.2
183.13896	1.4
185.11807	1.1
197.11803	11.7
199.13431	2.2
201.11293	20.1
202.11583	1.4
209.11809	1.2
211.13446	5.4
213.11383	2.4
229.14345	1.2
235.13548	1.1
245.11824	4.9
273.18600	2.3
291.19653	3.8
309.20746	10.4
327.21753	90.8
328.15582	24.5
328.21838	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	327.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93320	0.7
55.01887	1.7
57.03463	1.7
57.89246	0.7
58.00594	3.2
59.01379	58.4
69.03455	1.3
70.39743	1.4
70.40143	1.6
71.01385	40.0
72.01723	1.4
72.99315	2.9
73.02950	11.9
75.00879	2.9
83.01384	2.6
85.02953	13.3
87.00879	29.5
89.02446	37.1
93.03461	100.0
94.03828	3.4
95.01404	2.6
98.67510	1.0
99.00867	2.1
101.02447	25.4
103.04019	1.4
105.01971	1.4
110.02483	23.7
111.00893	3.8
113.01054	0.8
113.02450	13.1
119.03497	18.5
120.04591	0.8
121.02927	1.0
131.03499	2.4
137.02464	6.6
143.03517	2.8
147.06650	1.1
149.04593	1.4
154.06218	1.7
154.77287	0.8
161.04544	5.4
165.01939	11.9
165.07683	14.8
179.05630	9.5
181.34317	0.7
191.02048	2.3
204.07787	7.5
207.03044	1.0
227.72792	0.8
248.06813	9.6
267.07245	1.2
267.10825	2.9
269.08569	0.9
325.44467	0.9
327.09262	38.2
327.13019	25.8
328.09726	2.7
328.13232	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
58.53741	0.6
59.01391	1.8
65.30549	0.6
69.03461	5.8
69.84044	3.8
73.00948	0.8
81.36585	0.6
98.19867	1.0
108.05806	1.0
114.17049	0.6
119.08652	6.9
121.02964	1.5
125.09717	5.2
127.11280	3.1
131.86517	0.6
135.08173	1.7
137.09720	27.3
138.10060	1.6
139.11356	0.6
155.10730	1.0
166.87990	0.6
171.10266	100.0
172.10609	5.6
179.50920	0.6
185.11873	0.8
201.11311	24.2
202.11589	0.8
213.11284	5.2
273.18634	1.6
291.19858	3.2
309.20715	9.4
327.21747	47.2
328.22043	5.0
345.00589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Androsin
Peak:m/z	Relative Intensity
50.77903	0.3
57.03459	0.4
59.01384	15.3
60.01723	1.3
61.01820	1.8
61.98829	0.7
69.32890	0.3
71.01389	5.6
72.99335	0.4
73.02953	2.3
77.03979	0.5
80.44413	0.3
83.01402	0.5
85.02961	1.7
85.45493	0.3
87.00883	8.1
89.02448	2.9
93.03460	1.3
95.01407	1.4
95.05054	0.9
97.02976	0.6
99.00894	2.0
99.04549	0.5
99.47219	0.3
101.02454	3.7
105.01944	0.3
105.03484	0.5
109.02964	0.4
113.02447	2.6
119.03493	0.6
121.02962	10.6
122.03844	0.7
123.04507	1.0
125.02485	0.7
125.18448	0.3
133.02931	0.6
134.04768	0.6
137.02484	1.4
137.06007	0.4
147.04401	0.3
149.02454	77.4
150.03236	67.5
151.03545	3.6
159.03096	0.6
161.02470	3.2
161.04616	1.4
163.00371	1.1
163.04036	1.2
164.01140	1.3
164.04813	28.0
165.01945	6.2
165.05577	100.0
166.05939	4.9
176.01187	1.1
176.07159	0.6
177.01933	5.8
179.05583	0.5
190.02751	0.6
197.18066	0.3
202.99768	0.7
204.00601	0.5
205.01450	1.0
207.06679	1.2
218.02238	0.5
265.14429	1.2
267.10828	1.0
267.13437	0.7
309.04031	0.4
309.13455	1.5
327.05057	2.5
327.09360	3.5
327.14615	2.4
328.09686	0.4
328.15515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03449	1.0
58.00573	2.3
59.01381	75.1
70.32955	2.1
70.33317	2.1
71.01384	44.7
72.99307	3.1
73.02947	21.0
75.00884	7.1
83.01385	3.2
85.02944	10.3
87.00879	76.8
88.01216	1.7
89.02450	47.9
93.03429	2.4
95.01373	2.1
99.00889	4.0
101.02447	26.8
103.04008	1.6
105.01933	4.7
109.12764	1.0
110.02479	3.3
113.02466	15.0
119.03509	20.5
131.03459	2.4
133.02983	1.4
137.02470	2.4
143.03508	3.5
147.03000	3.3
148.57587	1.1
149.02478	4.5
149.04509	1.1
161.02486	5.1
161.04565	4.3
163.00380	2.5
163.67007	1.0
165.01936	13.0
165.05554	1.5
165.07678	11.5
176.01125	2.9
177.01950	9.2
179.05580	7.8
200.82452	0.9
202.99681	1.2
205.01425	2.0
254.00310	1.0
267.07224	2.1
267.10919	4.2
309.04269	1.2
309.13336	1.4
327.05353	5.1
327.09366	100.0
327.13077	18.3
328.06067	1.5
328.09769	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	327.1086
Annotation	Androsin
Peak:m/z	Relative Intensity
55.63020	0.6
58.00586	1.1
59.01380	27.1
65.03958	0.5
69.36695	5.1
71.01382	12.5
72.99312	1.7
73.02927	0.9
75.00847	0.6
83.01369	1.4
83.04977	0.6
85.02952	2.6
87.00904	1.5
89.02443	10.5
89.03963	0.9
93.03458	3.9
95.01408	1.2
97.02926	0.7
99.04494	0.7
101.02446	7.5
104.80529	0.5
105.03444	1.1
109.02959	1.8
113.02451	5.7
119.03495	4.4
119.05031	1.9
121.02940	3.3
121.06581	3.5
123.04518	1.8
128.52258	0.5
133.02968	2.2
135.00928	1.4
135.52740	0.7
137.02473	2.9
139.04024	0.6
147.04523	100.0
148.04872	5.2
149.02448	12.7
151.04019	2.0
161.02437	9.9
161.04579	0.9
162.02882	0.6
163.00377	4.9
163.04008	0.8
164.01146	1.2
165.01929	17.1
165.05562	39.3
166.02385	0.7
166.05850	1.9
176.01128	5.0
177.01921	17.4
178.02272	1.1
179.05649	0.6
190.02657	2.8
195.19543	0.6
200.76836	0.6
202.99849	3.2
204.00452	0.7
205.01396	2.7
218.02170	1.2
239.07126	0.8
241.12587	1.0
281.04611	0.7
283.06158	1.0
309.04019	3.5
327.05200	6.0
327.10822	4.1
327.13980	0.6
328.05429	0.7
328.11139	0.6
344.76639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0934
Annotation	Masuda's compound V
Peak:m/z	Relative Intensity
55.01872	1.1
58.00591	2.7
59.01382	46.5
60.01709	1.0
69.51521	0.6
70.92805	1.4
71.01385	29.5
72.01733	0.8
72.99314	2.1
73.02947	21.1
75.00871	3.7
82.45927	0.6
83.01397	1.8
85.02960	5.3
87.00878	76.9
88.01216	1.4
89.02447	27.8
92.61345	0.6
94.24989	0.6
95.01371	1.0
99.00896	2.5
101.02444	16.2
103.04022	1.1
105.01932	5.3
110.02431	1.0
113.02463	9.5
117.01972	0.9
119.03503	11.4
129.01903	0.7
131.03523	1.6
133.14656	0.7
143.03493	0.9
147.03004	2.3
149.04538	0.8
158.05835	0.6
161.04594	0.8
179.05624	1.9
238.70955	0.6
267.07172	3.5
309.08298	2.3
327.09320	100.0
328.09723	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	327.0511
Annotation	Khrinone D
Peak:m/z	Relative Intensity
51.79606	0.7
59.01371	5.2
63.02386	1.2
68.99250	0.8
68.99826	1.0
71.00845	1.5
71.01373	4.2
77.03973	1.6
81.03454	1.3
83.01398	1.1
85.02942	1.4
85.68591	0.7
87.00873	2.4
89.02446	3.1
89.03964	2.8
93.03474	3.1
95.01398	2.0
97.02950	1.5
101.02434	2.1
105.03458	5.2
109.02965	10.4
113.02463	1.0
117.03460	1.6
119.03537	1.0
121.02966	12.7
123.00909	1.5
123.04541	5.4
125.02437	0.9
133.02953	11.0
135.00919	6.0
135.99574	1.1
137.02449	14.9
139.04025	2.8
145.02946	1.5
147.04504	1.3
148.01694	3.5
149.02444	63.8
150.02808	2.8
151.00410	2.7
151.04016	5.9
161.02451	49.2
162.02844	3.1
163.00371	28.5
163.04004	1.3
164.01161	7.8
165.01929	99.0
165.05548	3.7
166.02202	4.5
173.02461	1.8
174.03113	1.3
175.00246	0.9
175.03990	1.5
176.01151	24.5
177.01929	100.0
178.02301	5.2
189.01936	2.3
190.02719	13.3
191.90326	0.8
196.05312	0.9
201.01942	0.8
202.99854	11.9
204.00662	5.9
205.01416	15.1
209.05997	1.0
211.03828	0.9
211.07541	0.9
213.05496	1.3
217.01385	1.2
218.02173	10.0
219.02539	1.2
237.05403	1.2
237.07684	1.5
239.07196	3.8
241.05119	1.2
253.05101	1.9
255.06544	1.8
265.05029	3.0
267.10699	1.0
281.04788	3.8
283.06149	5.6
299.05597	4.2
309.04037	14.1
310.04337	1.3
327.05109	46.2
327.09348	2.9
328.05283	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	325.2748
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
57.03450	0.7
59.01377	1.1
62.01203	0.4
71.01383	0.4
71.40568	0.5
74.94569	0.4
76.83588	0.3
79.95712	0.7
88.00981	0.4
149.09726	0.6
165.68390	0.4
177.33682	0.4
183.01207	18.9
184.01793	1.4
197.02728	0.5
216.00923	0.7
244.53450	0.4
265.25406	1.5
281.28363	1.0
325.18463	39.0
325.27448	100.0
326.18829	5.2
326.27747	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	326.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56923	0.8
57.21392	0.8
59.01388	19.0
60.01695	2.0
61.53468	0.9
61.98828	1.7
69.83376	2.3
69.83791	2.7
71.01393	4.2
72.99344	1.1
73.02940	1.0
75.00890	2.0
81.89979	1.0
87.00898	2.3
89.02474	3.6
101.02426	1.9
107.03634	1.7
113.02471	1.6
119.03522	1.3
134.04742	100.0
135.05190	2.2
146.02498	6.1
149.02470	9.6
150.03224	4.3
161.02463	2.1
161.04582	1.4
162.05533	1.5
163.00406	1.9
163.03871	0.9
164.04790	2.7
165.01958	2.8
165.05577	7.6
169.54025	1.0
177.01942	3.4
242.40193	1.1
265.14780	1.0
266.08923	2.6
267.10709	1.3
327.05313	1.1
327.09354	3.4
328.03479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77120	0.5
59.01288	2.1
59.24528	0.4
69.67525	2.5
71.01327	1.1
71.88831	0.4
85.02858	0.5
87.00812	0.6
87.27909	0.4
96.92688	0.4
97.02827	0.6
100.00306	0.9
101.02381	0.6
109.02946	2.2
110.03216	0.6
123.04404	1.8
123.05219	0.4
125.02306	1.5
126.31171	0.4
137.02373	1.2
146.34785	0.5
149.02370	0.8
151.03896	0.9
161.02356	0.7
163.03842	0.8
165.01877	1.0
177.01765	0.5
179.03395	0.7
180.03479	0.6
187.03876	0.5
188.04532	0.5
197.02446	0.7
197.05937	0.8
203.07028	1.1
204.07480	0.5
205.04939	0.5
206.01320	1.4
207.01578	1.7
209.05956	1.1
210.03047	0.5
212.04733	0.8
224.04794	5.1
225.05615	5.1
232.80655	0.5
238.02609	0.6
239.07130	14.7
240.07840	2.7
240.09947	0.7
245.08096	1.5
246.08479	0.6
252.04167	0.6
252.06523	0.9
253.05103	7.2
253.07433	1.3
254.05286	0.6
266.04535	0.7
267.06589	6.9
267.09045	0.7
268.07278	15.8
268.09808	10.2
269.07690	1.5
269.10248	0.9
280.06207	0.6
280.09534	0.7
281.06924	10.9
281.09982	0.8
282.07397	1.1
289.07126	6.1
290.07513	5.4
291.07486	0.8
295.08646	1.0
295.11972	0.9
296.09277	22.5
297.09607	2.9
300.06458	2.3
308.11932	0.6
310.10870	0.8
311.11612	88.7
312.11938	9.8
326.13968	100.0
327.10654	0.8
327.14301	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	325.2023
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
50.38206	1.5
51.70885	1.5
57.03460	10.6
59.01390	10.8
65.03965	1.9
67.01892	2.4
69.03465	4.4
71.01402	2.7
71.05023	11.7
79.05543	4.4
80.02689	2.5
81.03480	2.2
83.05043	13.4
84.02161	2.5
85.02945	5.6
85.06587	6.5
87.04549	2.1
93.03497	1.9
95.05025	8.6
97.02956	1.7
97.06593	6.9
106.04241	4.2
109.06596	9.6
111.04533	12.7
111.08128	2.8
113.06089	2.1
121.06666	1.9
123.08170	5.7
124.05438	1.8
125.09738	4.4
127.07644	4.1
134.63919	1.6
135.08176	11.6
137.09785	3.2
141.09198	2.6
142.53795	1.6
151.11302	5.5
153.09227	11.0
155.10713	2.2
163.11272	2.6
165.12802	2.3
167.10699	2.1
171.10298	51.5
172.10591	2.2
176.09677	1.6
177.12878	3.5
182.28668	1.8
182.92613	1.6
183.13924	1.8
185.11882	2.5
193.12317	3.2
194.54391	1.6
195.13905	2.7
197.11864	3.0
205.16104	2.0
209.11856	18.6
210.12183	3.1
211.13452	9.8
219.13927	2.0
221.11871	5.7
221.19173	2.8
227.12891	6.0
235.13416	2.0
237.14989	7.0
237.18616	2.0
239.12825	2.5
245.19087	4.2
249.14943	7.0
263.20236	1.8
281.18033	2.7
281.21219	15.0
289.18115	15.0
307.19104	14.3
311.11679	1.9
315.18494	1.6
325.16745	6.8
325.20193	100.0
326.20636	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	22.5
57.57415	12.9
59.01384	100.0
61.98827	13.8
64.57555	11.8
68.20416	12.2
69.03458	34.2
70.02706	62.2
71.01369	14.7
81.03459	19.9
83.01404	35.8
83.05000	24.6
97.06596	48.1
98.19958	23.0
121.06641	14.8
123.04509	22.3
123.08221	18.9
125.09736	97.5
134.03772	20.0
137.09744	34.5
150.10182	14.6
163.11288	27.5
165.12865	24.8
167.10808	52.8
183.01343	20.7
185.11864	24.3
191.14514	15.3
193.05051	21.3
207.10228	32.4
209.11861	67.9
245.19113	20.5
275.24112	13.2
281.21240	17.6
289.18301	17.5
325.17816	15.5
325.20340	22.1
325.23770	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	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01373	1.1
70.88997	0.7
70.89335	0.5
85.25500	0.4
105.41662	0.3
112.60771	0.3
119.05017	0.5
127.62212	0.3
133.06638	0.5
149.09715	94.8
150.10068	5.4
154.60675	0.3
163.11285	100.0
164.11615	6.1
170.00439	0.6
183.01196	19.3
184.01860	1.9
197.02821	0.9
216.00977	1.2
296.09360	0.4
310.96591	0.3
325.18365	30.6
325.21765	89.6
326.14764	0.6
326.18652	4.5
326.22113	13.6
329.53845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	0.8
70.80202	1.1
70.80527	1.1
71.01381	3.4
73.02965	1.9
85.02963	1.7
99.00901	0.7
100.65076	0.7
101.02445	4.4
113.02435	1.4
119.05045	3.9
132.03493	0.7
132.11685	0.6
134.04736	1.5
161.04620	2.9
163.04031	2.9
177.29890	0.7
206.46581	0.8
265.12894	8.0
269.31073	0.7
312.54340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1655
Annotation	Naematolin C
Peak:m/z	Relative Intensity
56.53660	0.7
59.01381	100.0
60.01728	0.8
69.62598	3.9
69.63004	1.4
84.13094	0.7
84.85580	0.7
96.96024	2.0
190.80537	0.8
205.12215	1.4
325.07544	0.8
325.16690	1.9
325.20193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44852	0.3
63.11047	0.3
67.69037	0.3
69.28488	0.3
71.48761	0.4
74.28022	0.3
76.76315	0.3
79.95772	1.3
92.94141	0.3
99.65838	0.3
119.05020	2.0
124.48338	0.4
170.00470	1.6
183.01213	55.7
184.01819	3.9
197.02774	4.3
198.03305	0.4
199.51642	0.3
201.99339	0.3
212.05272	0.3
216.01012	1.4
219.91136	0.3
225.05888	0.9
239.07533	1.0
253.09175	0.3
325.18427	100.0
326.18762	12.5
326.22678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01380	27.4
69.59850	2.2
71.01389	8.1
71.18085	5.1
72.99342	3.1
73.02921	2.7
83.05016	5.0
95.01369	2.3
97.02960	2.5
109.02949	2.3
109.06552	3.9
111.08167	27.5
117.60065	2.2
123.08189	11.5
124.49527	2.6
125.09743	13.0
127.11275	5.4
134.03748	5.9
135.08116	6.6
137.09729	9.7
139.11259	3.5
149.06071	3.0
151.11230	4.7
153.09264	7.3
155.10799	8.0
167.10788	5.5
169.12306	4.6
171.10260	42.2
183.01195	6.0
183.10233	6.1
185.11819	31.9
193.05063	6.2
195.10173	3.3
197.11850	18.7
199.13358	4.3
201.11320	39.3
202.11755	2.7
205.49516	2.1
205.61020	2.6
213.11311	10.6
220.51958	2.9
227.12921	16.3
245.19060	7.0
263.20181	6.4
279.07016	2.6
281.21182	8.2
289.18124	9.3
307.19125	12.4
325.14240	5.1
325.16550	3.3
325.20209	100.0
326.14014	3.0
326.20444	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	323.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.62062	4.1
62.21351	4.1
69.25820	4.1
69.79065	14.1
69.79480	13.1
96.80152	4.3
101.94718	3.8
115.72800	4.4
129.66467	4.7
139.07622	4.3
230.16196	4.3
287.18695	60.9
288.18958	8.5
323.16119	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	323.1864
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.88000	1.0
55.01890	1.2
57.03178	1.7
57.03450	29.9
59.01384	22.0
61.98799	1.3
65.09396	1.0
66.61131	1.0
69.03437	1.5
69.43445	3.8
69.43874	4.9
71.01391	2.6
71.05004	1.8
73.02973	1.9
83.05022	3.7
85.02952	2.1
86.22264	1.1
95.05054	1.3
97.06544	1.2
98.19864	1.4
99.04530	1.0
101.02451	1.5
113.02481	1.2
177.12888	1.3
181.12262	1.5
191.14371	3.8
205.15947	1.4
233.19115	4.1
235.20691	12.6
236.20929	1.2
237.14961	3.4
247.16916	1.4
251.20186	5.8
259.20837	1.5
261.18555	12.8
261.22226	2.0
262.18805	1.3
277.21811	2.7
279.19632	100.0
279.23206	35.3
280.19968	12.3
280.23624	3.5
283.40170	1.2
305.17508	3.4
305.21228	7.1
306.21457	1.3
323.15271	1.6
323.18576	39.9
323.22250	47.5
324.18851	5.7
324.22565	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.88972	0.8
57.03439	2.6
59.01382	22.8
69.03467	0.9
71.01386	1.6
71.63067	1.3
73.02954	1.4
85.02962	0.8
89.02475	1.1
97.02940	0.9
97.06602	1.9
111.08244	0.9
123.04506	1.0
135.08177	0.8
137.06076	1.1
156.04280	1.2
161.04535	1.1
162.89851	0.7
163.11380	0.8
165.09138	0.9
165.12862	0.8
167.14525	0.9
189.12589	0.9
191.14468	2.8
192.97186	0.8
221.15370	0.9
233.19049	1.2
237.15005	0.9
247.20662	3.0
259.20584	1.0
261.22269	11.9
262.22513	1.1
277.21713	2.6
279.23090	9.0
280.23611	1.2
293.21204	1.5
305.21222	100.0
306.21536	11.7
323.22247	70.4
324.22543	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	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01374	0.7
69.47403	0.3
69.47806	1.5
71.01389	2.6
73.02945	0.8
83.01399	0.4
85.02946	1.1
91.05547	1.4
98.20710	0.2
99.00889	0.4
101.02478	1.5
101.03976	5.8
103.00414	0.3
108.96304	0.3
113.02448	1.6
117.03458	2.9
119.05029	100.0
120.05372	5.1
136.24025	0.2
159.02983	0.5
161.04543	2.0
163.04010	4.5
164.04448	0.4
311.11642	0.3
325.09235	3.7
326.09930	0.5
326.14020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05634	0.3
55.08370	0.3
55.47970	0.4
65.78601	0.3
70.06930	1.2
80.31897	0.3
88.39499	0.3
134.03661	0.3
135.04512	0.9
145.02946	0.4
149.06075	1.3
159.67386	0.3
161.06076	0.4
178.82800	0.3
185.06050	0.3
188.04626	0.3
189.05501	0.6
195.11780	0.6
198.06833	2.0
201.09239	0.3
213.01900	0.5
223.11279	0.4
225.05518	0.9
225.09096	0.4
226.06326	0.8
236.04651	0.4
237.05626	0.4
238.06198	0.4
239.10704	1.5
240.07979	0.4
241.08705	0.5
249.09221	0.8
252.07870	0.4
253.05096	0.7
254.05832	63.9
255.06181	6.2
263.10782	2.2
264.10779	0.4
267.10281	4.2
268.10651	0.7
269.08151	4.5
270.08490	0.6
276.07901	2.6
277.08658	3.8
277.12292	1.1
278.09470	12.0
279.09970	1.4
280.07455	0.4
281.11816	3.3
282.11865	0.4
291.10248	7.5
292.10876	1.4
293.11823	21.7
294.08884	2.1
294.12204	2.4
295.09735	13.6
296.10214	1.5
309.11288	9.5
310.12100	69.3
311.12430	9.5
316.09503	0.5
325.14438	100.0
326.14786	12.2
326.18698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43189	1.1
54.64981	1.1
55.01862	1.4
57.03427	1.3
57.55596	1.3
58.00580	4.3
58.01374	1.1
59.01384	100.0
62.77851	1.0
70.95779	2.9
71.01389	50.1
72.99310	4.4
83.01409	2.0
85.02956	11.3
87.00868	1.8
89.02450	46.6
90.02796	1.3
91.40188	1.1
95.01383	5.0
96.03999	1.2
98.93581	1.1
99.08144	1.5
101.02457	27.3
113.02451	19.2
116.63191	1.1
119.03520	24.9
131.03551	2.2
143.03508	2.3
149.04466	1.6
153.90559	1.3
161.04547	1.3
161.08229	1.9
179.05634	2.9
222.29047	1.3
323.13474	90.8
324.13910	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56490	0.6
59.01382	100.0
60.01723	1.0
67.08762	0.7
69.05800	0.7
70.80438	1.5
71.01393	6.0
73.02967	0.9
85.02980	1.6
89.02461	2.4
101.02467	3.1
101.06104	1.0
113.02474	2.4
113.69102	0.8
119.03535	1.1
136.17065	0.6
146.52180	0.8
161.04558	3.5
179.05687	0.7
263.11331	1.7
323.13602	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	323.1501
Annotation	14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
Peak:m/z	Relative Intensity
52.71036	0.9
57.03430	1.3
59.01384	100.0
69.40118	2.6
69.40524	6.2
70.76984	0.9
71.01384	1.7
78.89885	1.0
83.05045	1.0
98.19816	1.6
117.04535	1.0
144.85924	1.0
150.99500	1.0
153.92946	0.9
220.81073	1.0
279.15958	1.4
309.06427	2.0
323.11502	1.7
323.14935	3.5
323.18280	2.1
324.08740	3.5
339.04001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1505
Annotation	14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
Peak:m/z	Relative Intensity
59.01387	100.0
60.01737	1.2
63.60963	0.6
69.30616	1.1
69.31030	4.6
79.23519	0.7
82.93359	0.6
98.20570	1.4
120.04588	0.6
266.32776	0.7
309.10501	1.0
323.05396	0.6
323.15256	2.0
323.18918	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	323.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.39500	1.8
69.56959	12.9
74.64508	2.0
96.03625	1.8
105.93256	1.7
107.77338	2.0
148.49336	1.7
178.21407	1.6
180.04355	1.7
288.88586	1.9
307.71777	1.8
314.32364	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.41836	1.1
67.22982	1.0
69.61505	7.8
69.61835	2.0
82.04486	0.9
89.48461	1.1
98.19930	2.5
165.89462	1.1
234.43242	1.3
305.40842	1.6
323.48224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1501
Annotation	10-(3-Dimethylaminobutyl)-2-ethylphenothiazine
Peak:m/z	Relative Intensity
50.45399	1.3
59.01380	100.0
70.40190	6.0
109.82092	1.5
173.26810	1.5
263.12982	3.1
314.58713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.40084	0.8
55.85291	0.9
57.03443	1.3
58.00587	3.6
59.01382	100.0
60.01709	1.1
61.98034	0.7
70.59274	0.7
71.01385	61.7
71.63013	1.0
72.01731	1.4
72.18466	0.8
72.99303	5.4
73.02947	1.2
77.26620	0.7
79.93146	0.7
83.01391	3.3
85.02956	9.8
87.00864	2.9
89.02447	70.4
90.02789	1.2
94.06634	1.5
95.01375	3.2
95.90300	0.8
99.00883	1.6
101.02448	37.9
106.40553	0.8
113.02454	21.1
119.03505	32.2
120.03841	0.9
125.02451	1.1
130.06644	1.1
131.03493	2.3
142.06627	4.3
143.03477	2.9
149.04509	1.5
155.08228	2.0
160.06470	1.3
160.07668	7.2
161.04532	3.6
161.07201	8.7
175.08762	5.0
179.05602	3.9
189.06708	14.5
203.08257	4.4
236.03575	1.1
264.03018	4.5
292.02423	1.9
307.04813	5.2
322.07178	5.2
322.12967	15.7
323.12128	5.7
323.18256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75773	1.0
55.01879	1.1
58.00591	3.1
59.01383	100.0
60.01707	1.6
70.34574	3.7
71.01385	52.0
72.01771	1.1
72.99304	4.4
73.02905	1.5
83.01375	2.5
85.02952	8.1
87.00877	1.6
89.02451	58.6
95.01386	4.7
99.00961	1.3
99.08250	1.0
100.77063	1.0
101.02448	33.3
102.02843	1.4
113.02453	21.1
119.03505	28.3
121.86086	1.1
130.11618	1.2
131.03493	1.9
143.03516	2.4
161.04594	2.3
161.08203	2.5
179.05606	3.7
190.14119	1.0
223.64449	1.0
323.13486	94.4
324.13806	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	322.0932
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.03439	1.7
58.00587	3.8
59.01381	100.0
60.01729	1.2
60.96454	1.3
71.01385	54.2
71.62011	1.8
72.99299	5.0
73.02924	2.1
77.24744	1.1
82.77908	1.1
83.01384	2.4
85.02950	12.8
87.00871	3.0
89.02446	52.7
95.01376	5.0
95.05043	1.5
99.00839	1.3
101.02444	28.6
110.02467	6.2
113.02463	23.4
116.05070	30.7
117.05376	1.5
117.84532	1.2
119.03493	21.0
131.03494	1.7
135.08247	1.4
137.99411	1.4
143.03491	2.7
149.04527	1.3
160.04045	69.0
161.04482	5.9
179.05627	2.8
191.10794	1.7
202.05098	31.2
203.05458	3.0
220.17377	1.2
232.06128	7.5
260.09375	1.5
262.07202	44.0
263.07468	3.4
322.09293	59.3
323.09631	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	321.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01379	4.0
60.94422	0.4
64.58010	0.5
64.64774	0.4
68.99837	2.9
69.03456	1.5
70.04517	1.5
70.04933	0.9
70.74030	0.5
71.01391	4.5
72.99337	0.6
73.02952	1.2
75.00861	0.9
76.55563	0.4
79.49815	0.4
83.01406	1.2
85.02963	6.4
87.00886	1.7
89.02449	1.4
89.92006	0.5
91.06213	0.4
95.01415	1.1
97.02946	1.5
97.06590	0.8
98.19973	0.6
99.00900	4.4
100.54378	0.5
101.02436	2.2
109.02930	0.8
111.00882	2.1
112.98862	0.6
113.02465	6.9
113.99594	13.7
115.00385	5.2
119.03509	0.7
125.02442	2.4
127.00380	2.7
129.01936	2.2
137.02425	0.8
139.00349	1.2
141.01949	1.0
157.01448	4.3
158.02205	27.0
159.02972	3.2
159.06654	0.8
167.03511	0.6
169.01419	1.0
277.02637	0.9
277.05634	15.4
277.08591	1.0
278.06042	0.8
321.08276	100.0
322.08566	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	321.0825
Annotation	Dinitramine
Peak:m/z	Relative Intensity
55.01880	1.2
57.03447	1.3
59.01384	6.2
65.47491	0.7
68.99815	3.5
69.03454	1.5
70.48525	2.9
71.01382	7.5
72.18201	0.8
72.99310	1.5
73.02948	1.6
75.00879	1.1
78.95860	0.7
80.91681	4.1
83.01408	0.9
85.02950	7.7
87.00890	2.3
89.02449	2.6
95.01402	1.6
96.96977	1.4
97.02947	7.8
99.00883	6.9
101.02421	3.5
111.00883	5.7
113.02473	7.4
113.99575	13.0
115.00366	5.4
119.03548	0.9
120.99638	1.0
125.02459	1.3
127.00394	2.4
129.01927	2.7
129.56641	0.7
139.00331	1.8
139.04060	0.8
141.01907	3.4
157.01430	4.1
158.02205	26.4
159.02974	3.6
164.89677	1.1
166.54285	0.7
169.01395	1.5
201.03972	1.3
249.45367	0.7
277.05615	15.1
278.05942	1.4
320.67413	0.8
321.08267	100.0
322.08331	7.1
322.11572	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	321.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41325	0.3
55.04552	0.3
57.76486	0.4
59.01371	1.2
61.75419	0.4
67.35019	0.3
69.66784	0.7
69.67193	1.8
72.17702	0.3
75.52518	0.3
93.45928	0.3
96.95977	0.4
111.04431	0.4
112.90038	0.3
259.20721	0.9
277.21732	2.9
303.19666	21.3
304.20001	2.4
321.20685	100.0
322.03842	0.4
322.17178	0.6
322.21039	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	321.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21072	0.4
57.03421	0.5
59.01369	1.2
69.97820	0.8
69.98231	1.9
71.01385	4.1
71.05019	2.1
77.86205	0.4
83.05020	0.5
84.73326	0.5
91.31416	0.4
97.65390	0.5
99.39690	0.5
103.18561	0.4
105.24761	0.5
119.91804	0.5
120.23706	0.5
123.08085	0.6
154.90179	0.5
189.12860	0.7
193.12350	0.9
204.54524	0.4
208.14674	1.4
209.15181	0.5
240.13759	0.6
259.20688	5.9
275.23785	6.2
277.21719	100.0
278.22046	10.8
278.24802	0.5
295.26367	0.6
303.19717	0.7
321.20667	38.4
321.24277	38.1
322.20953	3.7
322.24625	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	319.0822
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
55.47486	1.1
57.03451	6.8
59.01360	1.5
69.03465	1.6
69.43745	0.9
69.83289	5.2
71.01366	2.5
79.97012	1.1
81.03462	3.3
83.01390	7.1
93.03457	1.8
95.01388	2.0
95.05013	5.2
97.02951	12.9
108.02161	1.1
109.02953	3.9
111.00864	1.1
113.41676	1.0
113.77686	1.0
121.02919	3.0
122.03699	1.4
123.00877	2.6
123.04516	1.7
124.00819	1.8
124.01668	22.3
125.02452	48.8
126.02766	1.5
130.67818	1.0
135.04506	1.4
136.01672	1.6
137.02441	42.9
138.03230	30.7
139.00316	1.0
139.04016	18.2
149.02438	1.9
151.00372	1.1
151.04012	3.9
153.05569	2.9
161.02467	5.3
164.01172	13.5
165.01941	15.9
166.02710	15.6
167.03488	3.8
170.02202	1.9
173.06113	1.1
175.03981	8.5
176.04742	2.0
177.01959	3.6
178.02669	1.8
179.03516	14.3
180.04001	1.1
181.05061	7.3
189.05513	2.7
191.03473	1.5
192.04213	1.4
197.04498	2.2
198.16261	1.0
200.04826	1.2
201.05664	1.8
202.02824	1.3
203.03491	6.1
204.04172	1.0
217.04994	11.5
218.05814	13.3
220.03703	4.4
231.06522	1.3
232.07375	1.2
233.08156	5.4
235.06058	6.9
236.06900	10.2
242.06023	1.2
243.06660	3.2
251.09160	2.5
255.83539	1.1
260.06891	26.1
261.07227	1.8
275.09210	15.6
276.09540	1.8
277.07324	1.6
301.07071	2.9
319.08224	100.0
319.22568	1.4
320.08521	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	319.1549
Annotation	Zearalanone
Peak:m/z	Relative Intensity
57.50972	2.9
59.01376	5.5
69.64626	16.7
71.01383	100.0
72.01727	3.0
100.34936	3.5
119.05020	3.5
119.08675	46.1
121.06623	6.0
127.04014	36.5
128.44485	2.8
163.07645	6.1
191.10779	83.8
192.11130	5.2
217.12415	3.9
224.28975	2.9
235.09686	4.7
240.95833	2.8
243.71597	2.9
257.15414	4.7
266.46286	2.8
319.15549	57.9
319.19067	7.4
320.15817	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	319.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42026	3.2
59.01382	6.8
65.93864	2.8
68.99578	78.1
70.01086	3.0
71.01367	5.3
71.60824	4.6
72.99310	3.0
96.96960	10.2
101.02476	4.8
111.00877	3.9
112.98571	100.0
138.12218	2.9
139.00375	4.1
162.27385	2.8
168.84462	2.8
175.04588	3.0
217.05644	4.0
255.37943	2.7
264.48080	2.5
268.56613	2.5
319.09033	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
55.01865	3.4
57.03452	3.8
59.01388	13.2
67.01876	4.5
69.03460	4.2
70.01952	8.8
70.02368	5.4
71.01396	12.9
73.02957	5.1
75.69406	2.3
77.70420	2.8
81.03465	11.6
83.01401	7.2
85.02934	7.7
86.09184	2.7
86.71290	2.8
89.02436	6.8
93.03464	6.2
95.01383	4.0
95.05013	4.7
97.02946	8.1
99.00886	20.3
99.04478	4.2
101.02444	7.3
107.05024	3.3
109.02970	13.8
111.00895	20.4
113.02451	7.4
117.03473	3.9
119.04996	5.5
121.02942	13.3
123.00893	27.0
125.02447	88.7
126.26229	2.4
127.00368	16.5
131.05066	3.2
133.02998	6.1
135.04504	3.7
137.02446	24.1
138.03242	6.8
139.00345	10.1
139.04010	7.9
140.01144	4.4
141.01944	72.6
142.02238	3.4
143.05031	6.5
145.02956	11.6
145.06607	2.7
147.04488	4.3
149.02481	14.6
151.00380	16.1
151.04062	4.4
152.01176	4.1
153.01938	73.2
154.02649	6.5
157.06570	2.7
158.03714	4.0
159.04552	13.4
161.02448	14.4
161.06097	4.4
163.04019	11.3
165.01930	19.7
167.03534	24.9
167.04890	5.0
173.02419	13.7
173.06062	3.6
174.03171	5.7
175.04013	5.6
177.01929	100.0
177.05380	3.0
178.02338	5.6
179.03517	3.5
180.00633	6.1
181.01389	7.3
182.02147	5.1
183.04536	5.2
185.02356	3.7
186.03168	3.1
187.04004	18.7
189.01996	17.6
189.05589	7.5
190.02698	15.6
191.03493	68.2
192.03746	3.2
193.01419	41.8
194.02008	4.9
197.02490	4.7
199.04031	6.1
201.01935	3.3
202.02852	3.4
203.03493	4.8
203.07098	4.9
205.05046	10.5
211.03986	13.1
212.69652	2.6
213.01949	5.9
214.02661	8.4
215.03465	36.7
216.03824	5.6
217.01410	62.2
218.01994	6.2
219.02989	14.8
221.04605	3.1
227.03534	5.2
229.01357	11.0
229.04982	18.5
230.02083	6.6
231.02991	12.6
232.03680	2.6
233.04503	35.4
234.05043	3.7
239.03537	6.2
241.01297	6.9
245.04619	5.4
247.05989	6.0
251.05618	6.4
255.03021	13.9
257.00922	11.8
257.04581	28.4
258.01657	63.6
259.02264	8.0
273.04071	21.5
275.05591	29.0
277.03497	3.0
279.61902	2.7
283.02518	5.7
301.03497	65.5
302.03854	3.4
319.04608	67.1
319.13748	11.9
320.05038	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	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55229	1.2
53.04842	1.4
56.00713	1.4
57.03428	1.9
57.14553	1.3
57.77748	1.3
58.00583	3.7
59.01383	71.2
62.35973	1.4
69.97802	2.4
69.98198	4.0
71.01383	40.6
72.99313	4.5
73.02940	2.5
78.91901	1.4
83.01385	2.7
85.02967	8.7
87.00863	2.7
89.02448	47.8
95.01388	5.2
96.96970	3.8
101.02452	24.6
103.02352	1.2
112.04055	4.7
113.02447	18.2
115.92117	1.6
116.92856	3.1
119.03522	17.3
120.99626	2.3
123.03262	10.3
125.02424	2.8
126.05598	11.0
137.02431	1.5
138.05612	100.0
139.05923	4.4
140.01192	18.5
140.07164	3.1
141.01498	12.3
141.24289	1.4
143.03508	1.4
154.05086	3.6
155.03494	19.2
156.03847	17.3
156.06668	3.6
157.05092	1.7
161.04547	2.2
168.06644	16.1
179.05690	2.8
191.03638	1.8
301.03436	1.7
318.02908	2.0
318.08981	2.4
318.12128	4.1
318.16278	1.7
319.04758	2.4
319.13385	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66584	1.2
59.01366	2.2
62.93848	1.0
64.66964	1.0
65.25193	1.0
65.82412	1.1
68.99809	2.7
69.67489	5.3
73.59138	1.0
80.05061	7.9
82.02966	1.1
93.03506	1.1
96.96065	1.3
99.00877	2.1
108.04549	4.0
109.02976	1.1
122.06133	8.3
124.04043	1.3
125.02364	1.2
131.19557	0.9
132.03633	1.7
132.04553	19.7
136.04053	1.2
138.05569	4.2
140.07169	2.3
148.04037	2.1
150.05606	15.5
152.07317	1.1
160.04021	2.1
160.11296	4.7
164.03482	1.2
165.04268	1.3
172.07693	1.4
178.05078	1.7
181.12306	2.6
186.09213	4.1
194.04570	1.8
196.07726	2.2
199.09529	1.1
199.13338	9.8
200.36124	1.1
202.12354	3.3
207.10231	2.7
212.10751	10.6
225.11383	9.0
227.05893	2.4
227.12845	1.5
228.10231	2.4
229.09862	2.1
230.11934	7.0
231.09047	1.5
243.12312	3.6
244.06105	2.6
244.08514	1.5
245.06915	25.5
246.07159	2.6
253.09813	2.0
255.07732	4.5
256.08557	8.2
259.08499	15.8
266.06934	7.1
271.10748	3.1
273.12448	2.0
274.10852	50.6
275.11237	5.0
281.09332	20.0
282.09805	1.6
284.08017	12.7
285.08295	1.9
299.10379	100.0
300.10764	6.3
317.11374	55.2
317.15866	10.6
317.21136	2.0
318.11673	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2124
Annotation	CAY10410
Peak:m/z	Relative Intensity
68.49339	0.5
69.98106	3.0
81.07098	4.9
81.10331	0.7
84.26297	0.5
88.66938	0.7
97.06617	1.1
163.11281	2.0
189.12834	2.1
205.15979	29.2
206.16298	1.8
217.15977	0.8
219.21294	0.5
230.46632	0.5
263.22913	0.5
271.20715	4.2
273.22263	25.3
274.19708	0.8
274.22498	3.6
299.20099	3.1
317.21228	100.0
318.21570	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	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.4
55.07106	1.0
57.03425	1.8
58.00582	3.4
59.01381	63.8
69.78942	2.9
69.79354	3.2
71.01385	38.4
72.99297	4.2
73.02926	3.1
74.99109	1.2
78.95882	1.8
83.01377	3.0
85.02946	10.6
87.00879	2.4
88.26788	0.9
89.02446	40.0
95.01367	3.6
96.96946	3.5
97.02945	1.2
98.19880	2.3
99.00861	3.3
99.04518	1.2
101.02444	27.6
108.02166	12.2
109.02437	7.4
109.15033	1.0
110.02565	2.9
110.03303	2.0
111.00874	3.3
111.02959	1.3
112.01245	1.0
112.04082	6.5
112.07650	2.5
112.85551	1.0
113.02436	14.2
115.90135	1.1
119.03500	16.0
120.99620	1.2
125.02457	3.4
126.05514	1.6
136.99161	1.5
137.60425	1.0
138.05609	20.9
139.00410	7.0
140.01189	14.2
141.01482	11.5
151.04010	1.3
152.01120	4.1
153.01724	4.6
154.01596	2.9
154.05054	1.8
154.06253	1.3
155.02077	3.0
155.03453	9.2
156.02747	1.7
156.03868	9.7
156.06654	18.4
157.01421	1.8
168.06694	1.7
179.05641	1.5
183.02992	1.3
193.01401	1.5
212.96448	0.9
217.01411	1.2
278.70209	1.0
303.06595	1.1
310.31635	1.0
318.07996	20.0
318.11859	100.0
319.12299	7.6
344.31870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.088
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
59.01384	4.4
60.24854	0.4
65.15959	0.3
68.79393	0.3
69.65701	1.6
69.66109	0.9
70.96883	0.3
71.01383	3.2
72.99313	1.1
83.01423	0.4
85.02950	0.4
87.07587	0.4
89.02445	2.5
90.21041	0.4
92.08182	0.4
95.01410	0.8
96.80247	0.4
101.02445	1.5
107.01377	0.6
109.02982	0.6
110.02542	0.4
111.00908	1.8
112.04043	1.0
113.02455	1.3
119.03487	0.8
123.00912	0.5
123.03317	0.6
126.05621	0.9
130.14781	0.4
135.67586	0.4
136.04059	0.9
137.02422	0.4
137.04379	0.5
138.05623	5.1
139.00407	3.8
140.01167	85.3
141.01465	2.9
153.01933	0.8
154.02673	0.9
154.05046	0.4
155.03513	100.0
156.03851	4.1
165.02023	0.4
167.01736	0.7
168.06633	0.8
172.11844	0.5
194.99298	1.8
227.02061	0.6
278.67783	0.5
317.05167	0.9
317.08728	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16028	0.8
59.01377	2.2
65.99858	1.7
68.99796	2.9
71.01391	1.3
71.47169	1.2
79.95728	1.6
80.05059	5.4
83.01381	0.8
83.05021	0.8
87.00868	1.0
88.02750	0.9
99.04482	1.1
101.02374	1.0
104.05069	1.8
107.01382	0.9
108.02193	3.7
108.04570	2.3
109.02984	1.5
111.00864	1.2
122.06121	9.0
123.00879	3.1
123.04546	2.3
124.01666	2.0
125.02438	1.4
132.04555	15.5
136.03999	1.1
136.07681	1.2
137.02425	0.8
138.05576	4.8
140.07172	3.2
147.00867	1.1
148.04073	2.5
150.05594	16.9
151.00414	1.8
160.04024	2.6
160.11319	3.4
162.01859	0.8
164.03587	0.9
165.04341	1.4
172.07684	1.3
177.04402	1.1
178.05110	2.0
182.06059	1.6
186.09259	3.5
194.04588	2.5
196.07683	3.4
200.07181	1.1
201.10243	0.9
202.12305	3.1
212.10812	10.9
212.92256	0.8
227.05884	2.7
227.08180	1.1
228.06668	1.1
228.10350	1.6
229.09698	1.8
230.11887	7.7
231.08879	0.9
238.08832	0.9
240.08966	1.4
241.05974	1.0
244.06166	2.9
245.06898	22.3
246.07306	1.5
246.11397	1.2
251.11613	1.0
255.07790	4.2
255.11418	4.9
256.08566	5.8
259.08493	16.6
260.08792	1.2
266.07056	4.1
271.10904	3.5
272.07016	1.7
273.12460	8.5
274.10849	45.5
275.11200	3.9
278.13101	0.9
281.09293	16.8
282.09631	0.9
284.07999	8.8
287.09299	8.5
299.10373	100.0
300.10648	6.6
317.03247	3.5
317.11398	56.0
317.14542	2.2
317.20975	1.3
318.11746	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	315.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.0
59.01378	6.4
71.63484	1.8
71.81094	1.1
81.03443	1.2
83.01393	1.2
83.05030	2.9
92.01703	1.1
92.95666	1.1
95.05043	1.3
97.06606	11.4
98.65939	1.1
105.35489	1.1
111.08176	1.5
113.09718	7.1
121.02977	1.6
123.08154	6.9
125.09726	63.0
126.10082	2.5
127.11306	3.1
139.80270	1.1
141.09206	1.9
151.00380	1.6
155.10768	3.4
159.10274	100.0
160.10617	3.8
173.11830	57.0
173.13336	2.8
174.12172	2.8
187.09715	3.3
203.14368	1.3
215.16512	1.7
243.02954	1.8
255.02945	3.5
271.02597	5.4
271.09674	1.3
271.20667	2.0
283.13391	5.8
297.24219	1.4
300.02753	13.5
300.13580	1.5
301.03049	1.7
315.05078	11.5
315.12320	2.0
315.16263	46.0
315.21722	70.8
315.25424	44.5
316.16614	7.0
316.22028	7.2
316.25778	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	317.0665
Annotation	Epipadmatin
Peak:m/z	Relative Intensity
57.27913	0.9
59.01377	3.4
65.00330	1.2
67.01887	3.4
68.99819	5.9
69.03458	3.1
69.50126	3.6
69.50555	2.6
71.01394	1.6
73.02958	1.2
74.54443	0.9
80.96535	1.1
81.03462	1.5
83.01398	6.7
85.02930	1.7
93.03459	2.4
95.01403	0.9
95.05023	1.9
96.96028	1.2
97.02959	12.8
99.00877	7.1
102.88494	0.8
106.15528	0.9
109.02960	18.1
111.00898	2.9
121.02985	4.3
123.00887	1.8
123.04525	12.8
125.02454	6.3
125.09733	1.8
135.04567	1.5
137.02441	3.4
137.09735	1.9
139.04041	7.9
147.04530	1.1
149.02449	21.1
150.02884	0.9
151.00385	2.2
151.03976	5.8
153.01953	9.3
155.10779	19.1
159.04475	2.0
160.05270	1.2
161.02452	2.1
161.06067	3.0
163.00371	2.2
163.03894	1.1
163.11322	0.9
164.01067	1.0
165.01920	14.2
166.02791	4.1
167.03502	3.1
169.53191	0.8
175.04031	2.2
179.03500	2.2
181.12323	2.7
187.03975	4.0
188.04745	1.4
192.00706	2.1
193.01447	4.0
194.02211	1.4
195.02945	4.0
199.09744	13.1
199.13428	4.6
201.02010	1.0
201.05548	1.6
203.07153	6.8
205.05077	7.0
207.02969	3.1
207.10287	5.3
213.05655	1.4
225.11285	11.0
227.06990	1.4
229.05045	2.2
230.05861	1.8
231.06642	4.5
243.12340	7.5
245.08199	4.3
247.06081	10.7
255.06638	1.5
273.07761	2.2
273.11276	1.1
273.22290	1.3
274.10947	2.3
289.07227	5.9
317.06650	100.0
317.16101	12.2
317.21024	3.0
318.06998	10.6
318.16440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72760	1.9
59.01382	97.7
63.02382	2.7
69.42515	16.7
90.81174	2.0
98.19898	4.2
107.01318	2.4
108.02155	6.0
109.02972	3.0
137.02493	2.2
138.02003	2.2
148.01642	2.8
149.78145	2.0
151.00354	4.8
152.01166	3.3
153.01881	3.2
158.89879	2.1
164.01141	2.1
177.69345	1.8
179.72636	1.6
184.33679	1.8
197.11826	2.9
199.03920	5.4
202.99271	1.7
226.02658	2.2
227.03520	8.9
243.02937	21.9
243.30878	2.0
244.03433	13.2
255.02977	34.5
256.03482	6.1
258.04770	2.8
270.05356	5.3
271.02463	68.7
272.02991	17.9
285.07730	14.1
287.05341	2.9
300.02737	65.1
300.09937	15.6
301.03052	6.8
315.05032	100.0
315.08755	4.8
315.12213	4.2
315.18137	2.2
316.05322	10.9
332.79871	2.2
336.07285	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	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41306	1.5
59.01385	100.0
60.01694	2.1
69.79081	1.6
70.94523	2.9
71.01406	1.9
94.75114	1.4
108.02176	1.8
109.03038	1.6
209.02019	1.5
213.02101	1.4
300.02777	3.4
315.05148	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	315.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39603	1.5
59.01383	100.0
65.00331	1.9
77.24706	1.5
78.84752	1.6
79.95733	3.6
95.95216	2.0
96.95994	9.3
108.02185	3.6
145.05795	1.6
152.01169	1.8
163.00500	1.6
195.15773	1.6
227.03421	2.2
285.07547	1.9
300.02847	12.5
301.02820	2.8
310.52066	1.6
314.98016	2.2
315.04828	12.9
315.13141	9.1
315.15915	3.6
315.18930	3.4
315.22247	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	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14447	1.3
59.01386	100.0
70.28806	4.0
71.01385	2.5
93.23520	1.2
96.96036	1.3
154.63666	1.2
154.65045	1.3
196.28900	1.3
277.52072	1.2
297.30405	1.2
300.02768	1.8
315.04938	2.5
315.12634	1.4
315.18411	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	315.1964
Annotation	[1R-[1alpha,2beta(Z),4alpha]]-1,2,3,4-Tetrahydro-7-hydroxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.01860	0.6
57.03457	1.1
59.01374	2.4
69.03457	85.5
69.94862	4.1
70.03767	1.3
80.14008	0.7
83.05025	2.3
85.02956	1.6
88.66937	0.6
95.01437	0.9
113.02450	100.0
114.02802	2.9
201.16502	0.7
233.15457	28.5
234.15819	1.9
253.19453	0.7
269.19022	0.9
271.20609	7.1
300.02792	4.0
315.05090	2.6
315.15945	6.3
315.19608	92.0
316.16345	1.4
316.19904	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	315.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.99801	1.6
71.01385	3.3
71.05032	1.6
76.48389	1.5
81.43347	1.5
83.04998	2.4
93.03455	2.1
101.02491	1.9
107.01389	3.1
108.02195	9.4
109.02952	7.8
121.03007	2.1
123.04529	3.2
125.02494	1.9
135.04562	1.7
137.02525	2.4
139.01897	1.3
149.02460	3.0
151.00398	3.0
151.04033	1.4
152.01151	6.6
153.01944	6.9
163.00414	7.7
165.01945	18.5
166.02660	2.3
173.06081	1.5
175.03969	2.0
177.01785	2.4
178.02559	1.8
193.01442	7.8
197.11832	8.2
227.03426	2.2
243.02667	4.2
244.03337	5.0
255.02888	3.3
271.02390	7.8
272.02814	5.3
286.04340	3.3
287.05478	6.6
300.02756	18.0
301.03265	3.6
306.52310	1.8
315.04721	23.6
315.14151	6.4
315.18265	6.7
316.05203	2.7
316.08484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60078	1.4
59.01380	100.0
60.01709	2.0
64.51007	1.6
70.34560	3.4
75.64366	1.4
95.23811	1.5
96.95941	2.2
109.02963	3.3
115.41104	1.9
117.09848	2.0
148.76068	1.4
152.01170	1.6
173.44586	1.7
184.15704	1.6
198.49800	2.0
255.10426	1.7
289.46280	1.7
300.02762	2.6
315.12619	2.1
315.16010	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	315.1088
Annotation	Cornoside
Peak:m/z	Relative Intensity
54.77760	1.1
54.98905	1.1
55.01879	1.5
57.03429	4.5
58.00597	5.8
59.01386	100.0
65.00320	1.1
68.99806	1.8
70.00986	5.3
71.01390	57.8
72.01726	1.6
72.99310	5.5
73.02934	5.2
75.00841	1.7
79.64652	1.4
83.01388	11.7
85.02963	14.9
87.00868	5.6
89.02454	55.6
93.03463	1.5
95.01373	5.1
98.20630	1.2
99.00871	3.3
101.02450	40.7
107.01378	3.1
108.02194	11.7
109.02978	8.3
113.02461	31.0
113.77678	1.0
119.02757	1.7
119.03518	23.5
120.99689	1.6
121.02947	3.8
122.03768	8.9
123.04570	1.8
125.02438	8.0
130.08730	2.5
131.03473	2.1
135.04512	2.1
137.02444	3.2
137.06102	8.4
138.03249	20.2
139.03922	1.1
143.03473	3.9
143.11865	2.1
149.02470	2.2
149.04556	1.8
151.00374	11.8
151.04015	1.4
152.01175	8.3
152.04669	1.9
153.01961	84.0
153.05582	37.7
154.01266	1.2
154.02399	2.3
154.08679	1.2
161.04520	3.3
177.01952	2.0
177.05524	1.6
179.03413	1.4
179.05602	5.1
180.04314	9.2
180.05804	1.7
181.07022	1.2
191.76442	1.4
195.02930	2.7
195.06650	16.2
196.06865	1.5
255.08607	3.8
269.11609	1.5
290.50684	1.1
300.72318	1.3
315.07181	11.1
315.10794	61.4
315.14319	4.8
316.07587	1.3
316.11203	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	315.1086
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.19419	0.7
58.00616	1.2
59.01380	42.0
61.67339	0.7
70.99959	1.8
71.01386	20.5
71.01765	1.5
72.54533	0.7
72.99319	1.6
73.02946	0.8
83.01398	1.0
83.22919	0.8
85.02966	4.1
89.02450	22.0
89.02995	1.3
95.01401	2.0
97.53358	0.7
101.02451	12.8
108.02187	2.7
109.02987	4.9
113.02456	8.1
119.03517	10.2
122.03757	1.3
123.04530	70.5
124.04868	3.1
135.04529	35.7
136.04869	2.0
143.03487	0.9
149.04497	0.8
152.01192	2.2
153.02072	4.1
153.05576	100.0
154.05902	4.9
179.05583	1.4
186.55940	0.8
198.10962	0.8
315.07275	3.4
315.10825	41.3
315.14575	2.1
316.11099	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	315.1811
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
50.62273	0.6
57.03453	6.3
59.01367	1.1
67.23341	0.6
69.66929	1.1
69.67329	2.2
78.73586	0.6
83.05033	4.8
87.28426	0.5
95.05042	1.1
96.96013	0.8
97.06591	15.0
98.06916	0.8
99.08160	1.8
109.06611	1.3
111.08160	21.4
112.08482	1.0
113.09768	0.7
123.08176	7.3
125.09723	100.0
126.10069	4.9
126.12182	0.5
127.07663	3.8
129.09247	1.2
141.09248	0.7
143.10744	2.0
145.08708	16.5
146.08977	0.9
159.10280	6.5
161.98361	0.5
169.08711	1.9
173.08206	4.7
187.09756	44.8
187.31624	0.5
187.61050	0.5
188.10109	2.5
235.20761	1.3
244.06879	0.6
253.18082	4.8
271.16870	0.6
279.19583	0.8
297.17163	7.6
297.20538	1.1
298.17603	0.9
300.02832	1.4
315.18149	95.1
315.21426	5.2
316.18427	9.0
316.22021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0512
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.01462	1.6
60.01778	0.5
62.40230	0.4
63.02488	5.3
65.00419	3.4
69.52296	1.9
69.52723	1.2
71.86791	0.4
79.95845	0.6
83.01498	4.5
88.19793	0.4
95.01490	0.5
96.96133	3.4
107.01387	10.6
108.02172	2.6
109.03062	0.7
111.00968	0.5
120.02283	0.7
122.91648	0.4
124.01761	1.8
135.01024	1.3
136.01746	0.8
137.02545	0.8
148.01663	4.8
149.99692	1.9
151.00372	17.5
152.01102	0.7
153.02046	0.5
162.99225	0.7
163.00340	2.9
164.01151	5.6
165.01759	0.5
169.01546	1.9
172.05414	0.7
183.04674	0.8
187.04143	0.6
189.01944	0.5
199.04131	0.9
200.04790	0.8
203.03429	0.4
210.37947	0.4
211.04137	0.6
215.03642	1.2
216.04260	1.9
226.02728	0.6
227.03543	2.9
243.02962	2.3
244.03735	0.7
255.02962	3.2
255.16109	1.5
271.02454	5.9
272.03159	2.0
283.02435	3.2
284.02832	0.5
299.01978	1.4
300.02753	78.1
301.03101	7.3
304.88358	0.4
315.05081	100.0
315.25250	0.7
316.05402	7.8
325.36743	0.5
326.49127	0.4
327.20303	0.4
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	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.66787	0.3
57.03432	0.5
59.01377	0.5
66.96278	0.4
71.63140	0.4
99.06471	0.3
136.61159	0.4
184.01669	0.3
185.00790	1.4
187.50323	0.3
198.03944	0.4
223.20763	0.6
241.59669	0.4
249.22235	1.0
251.23807	64.6
252.24167	7.9
269.24872	1.4
282.32980	0.4
295.22803	26.3
296.23181	2.4
313.23862	100.0
314.17026	0.6
314.24200	12.4
319.53256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03436	0.7
58.00602	2.2
59.01373	1.7
69.48121	2.0
69.48547	1.0
83.05019	1.0
97.06588	1.0
98.20654	0.7
99.08160	18.2
100.08478	0.9
101.09713	0.4
109.06588	0.5
111.08156	5.3
111.09327	0.4
112.19497	0.4
121.02920	0.5
125.09738	0.5
127.07656	3.3
129.09224	19.1
130.09573	1.2
145.08759	0.4
161.29747	0.4
176.77171	0.4
179.14505	0.4
183.13901	36.6
184.14258	2.2
193.40895	0.4
195.13870	3.6
201.11237	0.7
213.15015	0.4
277.21750	2.7
278.22006	0.6
295.22766	8.9
296.23077	1.0
311.22385	0.5
313.23837	100.0
314.24164	11.6
321.01041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2749
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
59.01380	2.0
69.59504	1.5
96.60349	0.3
185.00749	0.5
189.08186	0.3
253.21667	0.4
265.25400	0.3
267.26935	4.0
268.27283	0.6
271.22849	0.5
295.26410	1.0
296.26715	0.3
311.25858	1.0
313.27475	100.0
314.27805	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	314.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
60.01682	0.7
61.98827	5.9
65.03955	0.8
67.01888	0.5
70.47408	1.4
71.01385	4.0
72.99306	0.6
73.02945	1.6
73.86694	0.5
81.03445	0.7
85.02973	3.2
87.00871	0.7
89.02459	1.8
93.03434	0.8
95.01384	1.8
99.00888	0.9
101.02434	2.6
102.98621	1.1
108.02178	100.0
109.02953	38.3
113.02450	2.0
121.03001	1.2
122.03767	1.2
123.00863	1.9
123.04525	7.0
133.02930	0.7
134.03754	1.0
135.00867	0.9
135.04549	2.1
137.02428	0.6
151.04010	2.1
152.01163	60.9
152.07158	0.6
153.01949	36.4
153.05576	11.2
163.03989	1.4
165.01961	1.7
176.85304	0.5
225.03918	0.6
232.63010	0.5
255.87079	0.5
315.07217	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75376	1.0
59.01383	100.0
69.34193	8.4
69.34618	3.7
72.88847	1.2
79.16595	1.2
98.19923	2.8
100.14029	1.0
121.02990	1.5
229.43105	1.2
281.72244	1.2
313.11237	1.8
313.16470	3.5
313.23627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
70.81817	7.4
73.02951	4.8
97.70798	2.3
123.96512	2.6
133.06613	3.9
145.06612	3.7
158.05887	2.6
172.05284	5.1
173.06168	2.9
179.14401	3.4
241.15909	2.9
251.14369	2.8
253.18091	35.3
260.62515	2.4
269.15546	9.8
270.15616	2.6
313.14474	57.9
313.17865	2.5
313.23895	6.4
314.14752	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	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.95402	1.0
70.83478	3.4
73.65764	1.2
83.56528	1.1
85.22459	1.0
88.88286	1.0
98.19778	1.2
111.49860	1.5
115.20929	1.1
121.02895	1.1
127.52207	1.2
165.76740	1.2
226.36798	1.0
253.18051	2.6
273.73978	1.3
313.23700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01380	5.4
69.40989	0.9
69.41390	2.4
69.56509	0.5
71.01385	0.4
71.50945	0.4
83.05038	0.5
93.87782	0.4
94.75542	0.4
97.06538	0.5
98.20573	0.7
121.02939	0.7
125.09724	1.0
127.11295	1.5
139.11279	0.7
155.10794	6.8
156.11070	0.5
157.12311	0.9
171.10286	6.3
219.65524	0.4
251.20140	0.9
283.06100	0.5
295.19397	0.8
295.22760	11.9
296.23291	1.2
298.08368	0.5
311.22382	1.0
313.03528	0.7
313.23834	100.0
314.20749	0.8
314.24173	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	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.1
67.12999	0.5
67.54875	0.6
71.63812	0.8
76.68402	0.5
83.05020	0.7
99.00840	0.7
103.34332	0.6
109.94862	0.5
117.30086	0.7
120.80415	0.5
134.97574	0.6
149.77701	0.6
225.22363	1.3
253.21707	6.3
271.22784	39.8
272.23120	4.0
313.18149	3.1
313.23849	14.7
314.24423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1084
Annotation	6,3',4'-Trimethoxyflavanone
Peak:m/z	Relative Intensity
59.01372	1.9
68.92274	0.4
69.46922	3.7
75.23582	0.4
80.79417	0.4
85.60046	0.4
121.02959	1.2
136.01666	0.7
137.02496	2.1
139.03812	0.4
149.02460	0.7
156.75301	0.4
160.42595	0.5
168.79669	0.4
177.01997	0.5
183.08153	1.0
186.30115	0.4
189.71352	0.4
199.07666	1.3
211.07594	0.9
213.05611	0.8
214.02660	1.7
225.05618	0.8
226.06305	0.5
227.07158	3.2
228.04286	0.9
229.05031	1.5
237.05597	0.8
238.06239	0.7
239.07130	1.1
241.08711	0.8
242.02206	33.3
243.02542	3.1
251.07158	10.8
252.07690	2.0
254.05864	1.6
255.06630	13.4
256.06873	1.2
257.04572	4.5
265.04993	1.7
265.08670	2.0
266.05826	4.7
267.06577	2.0
268.07520	0.5
269.08188	8.6
270.08615	1.1
279.06631	4.2
280.07288	2.0
281.08197	13.6
282.05316	1.8
282.08334	1.0
283.06125	14.1
284.06476	1.4
297.04987	0.4
297.07697	22.8
298.08459	49.7
299.08795	4.2
313.10828	100.0
313.23721	1.2
314.11182	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	313.1084
Annotation	6,3',4'-Trimethoxyflavanone
Peak:m/z	Relative Intensity
52.66351	0.9
59.01386	12.3
62.59811	0.8
71.63597	1.5
79.90672	1.0
100.44784	1.0
106.36953	1.0
109.02969	1.6
110.59729	0.9
121.02934	1.7
122.15536	0.9
125.09755	1.1
134.03745	13.3
136.01680	1.3
137.01416	2.0
137.02443	32.9
138.02760	1.5
145.02959	4.5
149.02451	1.8
149.06090	6.8
151.03978	1.5
157.08594	1.9
162.03246	3.1
169.12317	5.2
172.04230	0.9
173.02379	1.0
174.03268	1.8
209.05974	2.8
213.05502	1.0
226.06421	0.9
227.07152	2.4
237.05513	5.7
238.06192	1.2
239.03613	0.9
240.04259	2.0
253.05086	1.1
254.05779	3.2
255.06615	6.7
265.05035	14.6
266.05743	4.3
267.06610	1.1
268.03769	3.4
269.08115	2.2
279.06555	2.3
281.04272	1.3
282.05380	8.8
283.06110	65.2
284.06473	6.4
295.22806	7.8
297.07605	9.9
298.08456	46.7
299.08667	4.7
309.52148	0.9
311.22372	1.5
313.10809	100.0
313.23828	71.6
314.11148	11.5
314.24142	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	313.093
Annotation	Pungenin
Peak:m/z	Relative Intensity
53.05569	0.8
55.01876	1.8
57.03442	1.1
57.71349	0.8
59.01093	1.1
59.01373	13.7
60.78674	0.8
71.01384	22.0
71.53210	1.3
73.02947	6.2
75.00880	5.1
83.01389	3.3
85.02956	9.2
87.00865	2.2
89.02470	3.6
93.03460	36.4
94.03799	1.0
95.01389	1.9
95.05022	1.9
99.00887	1.8
101.02445	13.3
102.02746	0.9
107.05022	8.1
108.02209	1.4
113.02450	6.6
119.03500	1.0
119.04977	1.4
121.02935	3.1
123.04530	10.7
129.01944	2.3
133.02922	0.9
135.04503	5.6
137.02411	2.2
147.04608	1.0
149.02463	12.3
150.03212	3.7
151.04012	60.8
152.04332	2.7
159.02950	0.8
161.04582	5.7
180.93179	0.7
219.42064	0.8
269.10287	1.3
313.09274	100.0
314.09637	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	313.1082
Annotation	7-Hydroxy-2,3,4,6-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
53.00284	2.0
59.01363	2.1
67.01873	2.0
70.52035	1.0
70.52375	1.3
74.24693	0.6
79.01536	0.7
79.01904	9.5
81.03484	0.9
91.01861	0.8
95.01370	2.4
97.02922	0.7
98.91637	0.7
107.01392	8.2
109.02909	2.2
121.02942	1.5
121.73005	0.7
123.00891	25.1
124.01174	1.0
125.02445	17.0
125.09677	1.1
133.06444	0.9
135.00888	25.9
136.01251	1.1
136.49664	0.7
148.05310	10.2
149.02452	5.4
150.03185	2.2
151.00380	49.7
152.00929	3.0
153.01956	9.2
154.02150	0.6
157.08667	1.0
163.07635	1.5
165.01904	0.8
166.02650	2.5
171.10376	0.7
182.02188	0.8
183.08173	0.8
200.61317	0.7
207.10080	1.4
223.07629	0.9
238.06317	1.4
249.05630	0.9
251.07126	4.1
253.08958	1.1
265.05051	1.1
266.05841	1.9
267.06628	28.2
268.07010	2.5
269.08041	1.3
277.18082	2.1
281.08301	4.2
282.08344	0.9
295.06061	1.5
295.19156	2.1
298.08459	100.0
299.08823	10.6
313.10818	96.7
313.17981	7.1
313.20593	3.7
313.23486	11.0
314.07523	0.8
314.11163	13.1
314.24155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
56.49945	0.9
56.61578	0.7
57.03447	1.7
57.59150	1.0
59.01351	0.8
59.75146	0.8
60.57266	0.9
67.90321	0.9
70.81775	0.9
70.94920	2.5
121.10233	2.9
124.62437	0.8
125.09725	4.9
127.11311	5.8
137.09709	1.1
139.11307	20.2
144.39752	0.8
151.11290	1.9
153.09166	1.3
155.10814	5.0
165.09122	1.0
166.58549	0.8
167.10757	1.1
171.10274	94.2
172.10599	3.1
183.10301	7.9
185.11835	22.9
193.12477	1.0
201.11351	12.4
209.32237	1.0
266.10901	0.8
268.61841	1.0
275.20105	8.0
293.21234	28.3
294.21579	3.1
300.85727	0.9
311.22272	100.0
312.22580	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	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03436	1.5
59.01369	2.2
65.82499	0.6
71.31883	1.2
71.32224	0.8
78.81149	0.7
89.68951	0.8
99.08155	1.7
104.58254	0.8
111.08167	1.0
112.13762	0.6
113.09711	2.9
125.09726	1.0
127.11309	4.3
127.12125	0.8
129.09215	3.4
137.09760	0.7
139.11296	7.7
141.12883	0.7
149.00880	0.9
151.11252	0.8
155.10768	2.8
165.09193	0.9
167.10750	0.7
169.12366	2.0
171.10271	39.8
172.10686	1.8
173.11888	0.6
181.12326	2.0
183.10263	2.9
183.13878	1.4
185.11824	5.7
193.12250	0.9
197.11845	4.4
199.13380	3.1
201.11304	7.2
211.13394	10.1
265.21817	1.6
275.20245	3.0
293.17920	0.8
293.21225	15.9
294.21625	1.4
310.81702	0.7
311.22284	100.0
312.22580	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.83232	0.4
57.03442	1.1
59.01385	3.6
63.80646	0.4
64.26540	0.5
69.82809	2.2
73.78771	0.4
97.06560	0.9
100.47968	0.4
123.08164	0.8
125.06088	0.7
125.09734	3.8
135.08153	0.4
139.11304	1.9
141.09200	1.6
141.12880	1.0
143.10776	0.6
153.09232	1.3
155.14430	2.1
157.12341	1.2
167.10728	0.6
169.12305	0.5
170.07341	0.5
171.10254	1.9
181.15929	0.9
183.01219	0.9
183.13942	0.5
185.11792	0.5
199.09807	0.5
200.10559	3.2
216.64775	0.4
249.22293	3.4
265.21783	1.5
267.17480	0.9
267.23163	1.8
268.23608	0.7
275.20065	0.9
293.21265	8.5
294.21622	0.6
297.10211	0.7
311.17001	11.4
311.22284	100.0
312.12848	0.5
312.16873	1.6
312.22574	10.6
312.25797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99302	0.4
64.89792	0.4
66.77724	0.4
68.88660	0.4
69.77509	1.5
69.77907	1.2
71.09540	0.5
136.38069	0.4
147.04526	0.5
209.06027	1.1
212.04623	0.6
224.04752	2.1
225.05582	2.2
226.08800	1.1
228.04428	0.8
236.07164	0.9
238.08717	1.2
239.07153	5.6
240.07684	0.9
241.05180	0.6
252.06558	0.7
253.05103	2.9
254.05736	0.8
254.08215	11.2
255.06496	1.2
255.08752	0.6
264.06570	1.6
267.06488	3.7
268.07401	5.3
268.09888	0.7
269.07910	0.8
278.97766	0.5
280.06366	0.5
281.06982	3.3
282.07712	39.7
283.08142	3.7
296.09238	3.9
297.10052	94.3
298.10358	10.0
312.12408	100.0
313.12747	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01373	1.1
71.40781	0.4
82.24725	0.3
121.02956	100.0
122.03291	3.5
125.56004	0.3
164.54243	0.3
180.05821	1.3
181.06581	5.0
182.06921	0.4
225.05568	7.8
226.05948	0.3
235.01765	0.3
261.23941	0.3
313.07162	15.2
313.20087	0.7
313.23630	0.6
314.07391	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	313.0931
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
51.99991	0.8
57.03444	1.1
59.01382	25.5
71.01384	22.1
72.99300	4.2
73.02941	2.7
75.00879	0.9
76.00918	0.8
83.01406	2.1
84.53934	0.8
85.02961	5.0
87.00864	3.5
88.04039	1.1
89.02449	16.0
93.03462	1.3
95.01389	1.4
97.02927	1.1
98.20628	2.4
99.00887	2.9
101.02457	11.9
105.03401	1.2
107.05028	26.9
108.02209	1.2
109.02958	2.8
112.00375	0.8
113.02464	6.9
114.05621	1.2
119.03497	6.6
121.02934	1.1
121.06624	1.2
122.03738	1.9
123.04527	30.1
124.04877	1.3
125.02492	1.2
129.00566	1.1
133.06528	1.2
135.04488	1.0
137.02415	1.6
137.06096	0.9
143.03502	1.4
149.02428	6.3
150.03236	42.1
150.06770	1.7
151.04015	100.0
151.07544	2.3
152.04367	5.4
153.09129	1.3
161.04561	2.7
179.05571	1.0
193.05063	1.6
234.94612	0.9
255.44051	0.9
298.10431	1.2
313.09290	5.9
313.13223	10.1
314.12775	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	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99991	0.8
57.03444	1.1
59.01382	25.5
71.01384	22.1
72.99300	4.2
73.02941	2.7
75.00879	0.9
76.00918	0.8
83.01406	2.1
84.53934	0.8
85.02961	5.0
87.00864	3.5
88.04039	1.1
89.02449	16.0
93.03462	1.3
95.01389	1.4
97.02927	1.1
98.20628	2.4
99.00887	2.9
101.02457	11.9
105.03401	1.2
107.05028	26.9
108.02209	1.2
109.02958	2.8
112.00375	0.8
113.02464	6.9
114.05621	1.2
119.03497	6.6
121.02934	1.1
121.06624	1.2
122.03738	1.9
123.04527	30.1
124.04877	1.3
125.02492	1.2
129.00566	1.1
133.06528	1.2
135.04488	1.0
137.02415	1.6
137.06096	0.9
143.03502	1.4
149.02428	6.3
150.03236	42.1
150.06770	1.7
151.04015	100.0
151.07544	2.3
152.04367	5.4
153.09129	1.3
161.04561	2.7
179.05571	1.0
193.05063	1.6
234.94612	0.9
255.44051	0.9
298.10431	1.2
313.09290	5.9
313.13223	10.1
314.12775	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	311.2018
Annotation	Longithorone K
Peak:m/z	Relative Intensity
53.84359	0.2
59.01375	0.7
69.57412	1.4
76.07649	0.2
79.95741	0.3
80.37868	0.2
98.20598	0.4
98.95606	0.2
101.02439	0.2
133.06592	2.2
149.09723	100.0
150.10054	5.5
183.01201	9.6
184.01929	1.0
197.02727	0.3
216.00995	0.5
249.21948	0.2
311.16837	18.2
311.20203	53.9
312.17154	2.1
312.20541	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03434	1.7
59.01381	4.3
69.29102	0.4
71.01363	0.8
71.12626	1.1
79.79678	0.4
101.02454	0.8
104.29054	0.5
149.02472	1.0
183.01189	3.7
197.02757	1.7
216.01068	0.5
230.02528	0.6
249.22237	51.8
250.22595	4.1
251.11472	0.6
267.23251	2.5
282.07916	0.6
293.21237	23.7
294.21384	2.3
311.17075	8.4
311.22278	100.0
311.29709	2.0
312.17065	1.6
312.22583	8.4
325.50195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03456	1.9
59.01377	2.9
71.39868	0.9
71.40209	1.0
71.74751	0.7
73.97836	0.7
97.02984	1.9
97.06609	1.4
99.08187	1.4
113.09729	6.3
121.10233	2.1
125.09742	2.0
127.11259	1.8
137.09755	1.1
139.11304	26.9
140.11703	1.5
153.09196	1.8
155.10773	1.4
163.11334	0.8
165.12891	1.2
167.10783	1.5
171.10280	41.8
172.10651	1.8
180.99896	0.8
183.10164	1.1
185.11807	2.8
193.12416	1.2
195.13916	1.5
197.11804	1.0
201.11317	2.6
211.11710	0.9
211.13354	5.0
249.22328	1.7
275.20209	2.6
277.48666	0.8
293.21255	30.5
294.21637	4.1
311.22308	100.0
312.22668	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.63230	0.9
57.03436	2.5
57.44240	0.8
59.01373	4.6
59.47135	0.9
66.87978	0.8
69.55862	6.1
97.02934	2.7
97.06578	1.2
99.08145	2.1
113.09703	4.1
121.10233	1.8
124.26553	0.9
125.09754	2.2
135.04565	1.2
139.11296	9.7
155.10811	1.0
165.12857	2.0
167.14336	1.0
171.10274	21.5
172.10587	1.2
181.12314	2.1
183.13879	1.6
185.11761	1.2
193.12352	11.0
197.11833	2.6
211.13399	8.8
235.49750	0.9
249.22089	1.3
262.75745	1.0
293.21225	25.0
294.21530	2.7
311.22275	100.0
312.22580	10.6
332.67593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84198	2.8
57.03465	3.3
59.01386	100.0
69.57645	6.8
69.58044	17.0
71.01408	5.9
83.04998	3.7
85.02977	4.0
98.20631	5.4
98.89182	2.9
135.04541	3.4
149.00912	3.1
155.47733	3.1
156.19397	3.3
164.95026	2.8
185.45456	3.2
195.22589	3.4
205.16020	6.4
223.17126	16.4
226.03212	3.2
249.14766	4.8
265.14334	4.1
267.16052	7.5
293.13879	3.2
297.10068	7.2
311.11493	7.4
311.14981	41.9
311.18674	16.9
311.22305	7.4
311.29407	5.7
312.12222	8.7
312.15488	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	311.1864
Annotation	Methynolide
Peak:m/z	Relative Intensity
51.15050	0.8
57.03449	66.1
58.03776	1.8
58.24278	0.8
59.01381	12.0
69.03454	2.5
69.20588	0.6
70.16032	3.1
71.01369	1.0
73.02954	0.8
93.03469	0.8
95.05051	0.9
98.19949	1.2
121.02959	5.1
127.52927	0.7
149.02441	39.0
149.06073	2.9
150.02792	1.7
163.11296	8.4
164.04807	5.2
164.11760	0.8
177.12906	0.9
179.14413	25.1
180.14749	2.1
191.14459	2.5
197.15471	6.5
223.20644	2.7
249.18503	5.2
251.11156	0.8
251.16431	1.4
267.16653	1.0
267.19641	12.0
268.20093	1.4
282.07657	0.9
293.17627	1.5
296.10544	11.9
297.10596	1.8
311.13266	11.6
311.18631	100.0
312.12900	1.5
312.19028	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	311.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95779	0.6
57.03440	1.3
57.83952	0.5
59.01385	6.6
61.81565	0.5
63.33761	0.6
63.79331	0.5
69.03458	7.2
70.28717	1.3
70.29115	1.2
71.05053	1.3
94.67554	0.6
106.07273	0.6
163.11284	16.8
164.11652	1.3
177.12787	1.7
179.03535	0.6
179.14439	3.6
191.14687	0.6
205.16006	0.9
207.17569	2.1
209.42596	0.7
233.15321	0.9
249.18588	45.6
250.18895	4.8
250.93779	0.5
251.11429	0.7
251.16566	1.3
267.19672	12.0
268.19989	1.1
293.17624	2.9
293.20682	0.7
297.10123	1.4
311.18655	100.0
312.12469	1.1
312.18994	10.0
312.22394	1.1
318.97983	0.6
330.30414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.6
59.01381	100.0
61.63034	2.3
68.05805	2.5
69.30885	23.0
71.01368	2.4
80.96517	25.0
83.04984	2.5
84.83318	2.7
87.00884	3.4
98.02872	2.2
107.74555	2.3
135.04517	9.3
149.00912	11.9
179.03528	3.9
196.70813	2.4
270.19482	2.6
297.10052	6.4
310.72665	2.7
311.05734	4.5
311.09570	7.9
311.15106	3.0
311.18610	6.8
311.22269	4.4
311.29565	4.2
312.08981	3.6
312.12366	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92332	0.3
54.54167	0.3
59.01358	0.4
70.05324	0.7
70.05736	0.9
79.95712	1.4
83.21509	0.3
96.96013	0.4
98.95591	1.0
119.05045	0.8
123.61481	0.3
137.74005	0.4
149.00925	0.7
170.00407	1.3
179.03401	0.3
183.01196	50.5
184.01820	4.2
197.02803	2.5
198.03487	0.6
201.99509	0.3
204.22739	0.3
216.01004	1.9
225.05875	0.7
229.83932	0.3
239.07535	0.5
247.20734	0.4
311.16849	100.0
312.17194	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	311.129
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
57.03464	0.5
57.46140	0.3
58.61181	0.3
59.01384	8.0
63.86929	0.4
69.94683	1.9
71.01384	0.6
77.03987	1.0
79.31162	0.3
80.27441	0.4
85.02983	0.5
85.06641	0.5
87.75974	0.3
88.76873	0.4
89.91146	0.4
93.03466	2.2
95.01398	2.0
95.05041	1.7
97.76999	0.4
121.02960	10.5
123.04535	1.0
125.09717	0.9
127.07691	0.5
132.02167	1.5
133.03030	0.4
135.04463	0.5
137.09712	0.7
142.52504	0.3
147.04549	0.8
148.05362	1.1
149.02457	100.0
149.06067	6.3
150.02783	4.8
164.04813	16.2
165.05138	1.0
179.03426	0.5
207.13972	0.4
210.75407	0.4
223.16847	0.8
232.25888	0.4
237.05740	0.4
238.06271	0.5
239.07005	0.4
251.11320	1.0
252.07811	1.0
253.08672	0.9
265.08563	0.6
267.10300	1.5
267.16119	0.6
267.19507	1.1
281.08203	0.7
282.07901	0.5
293.14117	0.6
293.17590	0.8
293.21057	0.6
295.09772	1.1
296.10568	30.6
297.10669	3.9
311.05600	1.0
311.12863	26.8
311.18665	3.4
311.22272	1.6
311.29318	0.6
312.05466	0.4
312.09113	0.6
312.12994	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	311.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03452	0.9
58.00594	2.4
59.01383	58.4
61.24530	0.7
65.29554	0.7
69.03464	3.8
71.00987	1.7
71.01383	33.5
71.01764	1.7
72.01674	0.9
72.99307	3.2
73.02951	3.2
74.58783	0.8
74.99117	0.9
75.00866	1.5
83.01386	2.0
85.02963	9.1
87.00853	1.9
89.02449	38.4
90.02757	0.9
95.01393	2.4
96.49165	0.7
101.02444	25.5
103.04012	0.8
111.00870	1.4
113.02456	11.7
119.03508	15.5
131.03493	10.9
131.26274	0.7
134.45895	0.8
143.03487	1.8
149.04573	2.3
161.04597	2.3
179.05560	2.4
191.02013	0.9
206.95352	1.0
293.08759	4.8
300.64563	0.8
311.09851	100.0
312.10254	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
53.34681	4.4
57.03434	6.9
59.01380	86.4
69.83708	4.6
71.01381	55.4
73.02939	26.8
73.39491	5.1
82.98022	4.3
83.01398	4.8
85.02934	5.7
89.02445	100.0
98.20640	17.2
99.00879	57.8
101.02448	53.0
107.04998	5.2
113.02467	8.7
113.56872	4.2
127.18155	4.3
131.03464	14.0
132.91508	5.7
135.08910	4.4
142.93280	3.9
149.04552	38.0
161.04485	5.6
169.74762	4.4
188.20294	4.4
191.05614	6.6
196.73151	4.9
230.50833	5.2
283.05957	5.1
289.70062	4.3
294.37042	4.4
296.08914	9.6
297.10092	6.1
310.26443	4.4
311.05591	7.9
311.11423	23.8
311.14651	4.9
312.12531	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	311.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03441	1.0
58.00586	2.4
59.01381	57.6
60.01719	1.2
69.03450	2.8
70.10418	3.1
71.01383	31.4
72.99310	4.7
73.02948	4.6
75.00867	3.6
83.01389	2.0
85.02960	10.8
87.00875	3.6
89.02448	36.5
95.01393	1.8
98.48004	0.7
99.00880	1.6
101.02448	21.3
101.45073	0.8
103.04008	0.9
111.02906	0.8
113.02458	12.1
119.03507	12.1
131.03510	16.4
143.03493	1.8
149.04559	1.7
161.04532	3.1
179.05591	1.7
190.16814	0.7
199.72214	0.9
222.32024	0.8
291.01877	0.7
293.08713	7.5
310.39505	0.7
311.09821	100.0
312.10245	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	311.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.5
57.46140	0.3
58.61181	0.3
59.01384	8.0
63.86929	0.4
69.94683	1.9
71.01384	0.6
77.03987	1.0
79.31162	0.3
80.27441	0.4
85.02983	0.5
85.06641	0.5
87.75974	0.3
88.76873	0.4
89.91146	0.4
93.03466	2.2
95.01398	2.0
95.05041	1.7
97.76999	0.4
121.02960	10.5
123.04535	1.0
125.09717	0.9
127.07691	0.5
132.02167	1.5
133.03030	0.4
135.04463	0.5
137.09712	0.7
142.52504	0.3
147.04549	0.8
148.05362	1.1
149.02457	100.0
149.06067	6.3
150.02783	4.8
164.04813	16.2
165.05138	1.0
179.03426	0.5
207.13972	0.4
210.75407	0.4
223.16847	0.8
232.25888	0.4
237.05740	0.4
238.06271	0.5
239.07005	0.4
251.11320	1.0
252.07811	1.0
253.08672	0.9
265.08563	0.6
267.10300	1.5
267.16119	0.6
267.19507	1.1
281.08203	0.7
282.07901	0.5
293.14117	0.6
293.17590	0.8
293.21057	0.6
295.09772	1.1
296.10568	30.6
297.10669	3.9
311.05600	1.0
311.12863	26.8
311.18665	3.4
311.22272	1.6
311.29318	0.6
312.05466	0.4
312.09113	0.6
312.12994	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	311.0983
Annotation	Vicianose
Peak:m/z	Relative Intensity
52.06786	0.7
55.01882	1.5
57.03445	1.0
58.00599	2.4
59.01380	67.0
60.01714	1.2
69.03455	3.8
69.36067	2.2
69.36480	4.1
71.01385	37.6
72.99308	3.2
73.02944	2.6
75.00846	1.5
83.01406	2.0
85.02963	6.2
87.00876	2.2
89.02448	47.8
95.01397	3.0
101.02445	24.6
103.04005	1.0
113.02454	12.2
119.03508	15.7
119.05898	0.9
131.03499	8.3
139.20636	0.8
143.03508	1.8
149.04524	1.6
149.34875	0.7
161.04581	2.2
179.05582	2.6
181.09781	0.8
221.06561	1.3
251.93739	0.8
293.08847	3.0
311.09839	100.0
312.10193	7.6
320.50461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.25697	1.8
57.03434	3.8
59.01135	1.9
59.01385	24.5
61.12020	1.8
69.03445	1.7
70.88934	4.8
71.01395	2.7
71.05022	23.2
71.32319	1.9
75.47581	1.7
83.05010	3.5
95.05012	3.1
96.96015	2.3
97.06583	6.9
99.04525	1.8
107.04987	1.8
111.08176	3.0
117.03574	2.1
121.10203	4.9
123.08147	2.2
125.09701	5.9
135.08139	3.8
137.09712	25.3
139.11205	1.8
149.25984	1.9
163.17311	1.7
171.10268	58.9
172.10542	4.1
185.11887	10.8
197.11809	6.3
205.55437	2.1
207.13808	2.4
217.71939	1.6
219.13824	2.1
227.03343	2.5
233.15356	2.8
235.16924	3.5
237.14920	4.7
247.20601	2.5
251.16518	23.5
265.18051	3.1
267.16003	3.2
284.03146	2.2
291.19644	74.1
292.19870	6.1
295.08176	1.7
309.13449	3.7
309.17102	17.5
309.20645	100.0
309.56937	2.5
310.10733	5.1
310.17639	3.0
310.20938	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	310.0932
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
58.00594	3.1
59.01090	3.8
59.01382	60.1
67.54927	2.2
71.01385	39.8
71.57880	2.7
72.99306	9.3
73.02947	5.2
75.00878	2.1
81.03450	1.9
83.01403	2.3
85.02961	9.7
87.00871	7.9
89.02453	32.3
89.46174	1.9
92.05046	7.3
95.01380	2.4
101.02454	22.1
113.02460	14.2
116.05058	3.6
118.02951	3.0
119.03507	11.9
120.04543	8.0
120.96178	1.8
127.28385	1.8
131.03712	8.3
131.04944	2.2
132.04565	17.0
134.06111	3.7
135.04472	2.6
144.04552	8.5
146.02481	80.8
146.06155	3.0
147.03267	55.4
148.04091	23.3
149.04507	2.8
158.06097	3.8
160.04048	89.2
161.04462	7.1
162.05618	19.5
163.05948	2.3
172.04015	8.7
174.05588	17.4
179.02222	10.6
179.05606	5.2
186.05559	4.0
202.05110	25.0
204.06662	3.4
214.05043	9.2
220.06163	15.2
230.08195	1.9
232.06128	5.2
259.47971	2.1
263.83014	1.8
310.09323	100.0
311.09793	7.5
322.32593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03447	28.1
59.01378	22.1
66.75358	5.7
69.03462	11.0
69.46261	42.6
71.01368	13.7
80.02691	7.9
82.82475	6.5
83.05020	6.4
85.47569	5.5
95.04993	7.4
96.96013	12.3
97.02929	6.0
97.06596	14.3
99.00893	8.6
111.08189	9.7
113.09753	11.1
123.08127	17.3
125.09724	18.0
127.11269	12.1
137.09654	12.2
139.11272	10.9
142.16911	5.9
151.04016	14.9
151.07661	41.4
151.11252	32.1
152.08430	28.6
155.10791	44.3
165.12869	32.8
167.10783	8.3
171.10294	87.3
179.10831	9.2
181.12335	32.2
182.12627	6.1
185.11829	89.2
191.10796	17.4
201.94168	8.0
208.11107	8.4
209.11880	68.4
209.15460	51.7
247.20673	20.2
252.10048	12.5
263.20123	16.9
265.17990	11.8
265.21817	11.5
281.21198	11.4
291.19675	63.3
295.08530	12.7
297.57419	6.4
309.17081	100.0
309.20724	85.9
309.24298	43.4
310.10687	11.9
310.17633	8.9
310.20920	14.7
310.24481	9.0
327.79688	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46939	1.1
57.03441	2.8
59.01376	6.8
67.01874	3.1
69.03437	1.7
69.35791	11.6
71.01389	1.5
71.05015	2.7
80.02698	9.7
81.03434	4.8
83.05022	30.6
84.02169	10.9
85.01675	1.2
85.02929	1.4
95.05032	2.4
96.95988	3.5
97.06587	3.7
98.20612	3.0
99.08161	9.2
109.06584	2.4
111.08137	2.9
113.09716	2.0
115.07638	4.1
123.04525	2.5
123.08183	2.0
125.09722	4.6
127.11292	3.9
137.09727	52.7
138.10081	2.7
139.11301	8.2
151.03983	5.0
151.07646	10.6
151.11243	6.0
152.08482	6.1
153.09244	8.5
153.12799	1.8
155.09543	2.7
155.10782	53.7
156.11096	1.4
163.11249	2.4
165.12764	2.6
167.10724	4.1
171.10269	48.5
172.10532	2.1
173.28664	1.3
173.69510	1.5
180.04196	1.6
184.07379	1.3
193.12349	27.7
197.11864	3.1
209.11876	4.6
209.15428	15.5
211.13373	5.2
218.95482	1.3
227.75101	1.3
239.12712	1.3
247.20647	8.9
252.10014	3.1
263.20053	5.8
265.18271	2.1
265.21652	12.6
266.22012	2.3
273.18573	2.3
277.36328	1.3
281.21362	2.3
291.19632	100.0
291.80115	1.7
292.19916	9.9
295.08365	1.6
309.09982	1.8
309.17056	22.8
309.20670	81.4
310.11017	2.3
310.17740	2.4
310.21036	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68213	3.8
57.00224	4.0
57.03445	7.2
59.01375	7.5
69.03466	5.4
71.39152	6.0
73.02938	3.9
111.08253	4.6
119.08669	11.3
121.10225	25.3
125.09702	20.2
137.09767	9.9
151.03981	5.8
151.07596	6.6
152.08458	6.4
163.84541	4.0
171.10289	31.0
185.11879	28.8
194.53909	4.1
197.11942	9.3
209.15541	10.1
249.22231	5.2
275.20145	13.1
291.19724	45.8
291.23004	6.7
309.17047	18.7
309.20724	39.8
309.24335	100.0
310.10934	5.1
310.24591	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	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.64413	0.8
55.01878	2.2
57.03447	4.2
59.01374	4.3
59.51611	0.9
59.98774	0.9
69.40899	8.4
71.05030	35.7
73.39368	0.9
85.42233	1.0
85.54953	1.0
91.94779	0.9
95.05048	2.2
96.90727	1.0
97.06595	9.8
99.11032	1.0
107.05051	1.9
111.08158	1.3
119.08706	2.2
121.10234	8.3
123.08144	1.9
125.09749	7.3
135.08168	2.2
137.09726	37.2
138.10034	1.8
141.12892	1.7
147.08145	1.5
171.10280	99.3
172.10587	4.9
175.14944	1.0
181.12294	1.6
185.11826	14.8
186.12119	1.5
197.11823	2.3
205.12230	1.1
207.13893	3.5
209.11906	1.1
211.13551	1.4
215.56378	1.0
217.15997	1.0
219.13892	4.2
233.15460	3.9
235.17026	4.1
237.14862	6.1
247.20691	2.6
251.16534	30.3
252.16856	2.6
273.18649	3.5
291.19662	100.0
292.20004	10.0
309.20718	96.4
310.21075	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.81699	0.9
57.03449	1.6
59.01380	1.9
66.91753	1.0
67.01884	1.6
70.20152	3.8
79.57198	1.0
90.47692	1.1
97.06589	1.7
108.52705	1.1
111.08124	1.2
121.10236	11.0
125.09718	7.8
126.30475	1.1
137.09689	4.3
154.91811	1.0
155.68663	0.9
167.14423	1.7
171.10297	7.2
185.11806	10.0
197.11842	3.9
209.11871	1.6
211.13417	68.6
212.13724	5.4
223.13383	1.6
225.14986	1.6
273.18405	1.0
291.19684	100.0
292.20041	10.6
309.20697	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.19888	1.4
50.79101	1.1
56.23433	1.2
57.03442	1.9
59.01374	3.4
62.35340	1.3
65.27803	1.2
68.29342	1.2
69.03457	5.1
70.09169	5.9
70.09531	1.9
83.05021	1.7
102.06355	1.1
102.47154	1.1
106.81281	1.3
107.08677	1.3
108.05818	1.4
111.08164	2.8
118.16515	1.2
119.08662	15.1
125.09719	6.9
127.11311	2.9
135.08232	1.5
137.09734	31.6
138.10069	2.0
139.11340	1.6
155.10822	3.3
157.12360	1.4
167.10806	3.4
169.12231	1.6
171.10280	100.0
172.10616	5.2
173.54535	1.4
183.10277	5.0
185.11829	21.6
195.10201	1.8
197.11827	7.7
198.64836	1.3
201.11375	7.2
207.80806	1.3
211.13397	3.5
213.11394	7.8
228.33105	1.3
229.19643	1.7
247.20663	2.6
267.64804	1.4
273.18680	7.9
291.19647	32.8
292.20001	4.4
309.17209	2.4
309.20737	33.5
310.21066	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.36054	1.2
54.30664	1.2
54.85025	1.4
57.03440	4.8
57.21293	1.3
59.01369	2.3
63.22120	1.7
69.03455	4.8
71.05009	1.6
83.05048	1.5
83.83723	1.2
85.06599	1.7
91.17105	1.3
91.48214	1.3
95.05039	1.8
97.02958	26.4
97.06589	3.0
111.08183	1.9
119.08677	2.2
125.09729	3.7
137.09715	3.7
147.82227	1.6
163.11287	4.2
163.87883	1.4
165.12842	10.0
171.10266	16.5
181.12312	3.1
191.00076	1.5
193.12361	5.0
193.16000	2.5
195.13919	5.4
209.11896	6.7
211.13470	1.8
217.15707	1.5
221.15559	6.4
223.13373	4.4
227.12878	7.7
238.61314	1.5
244.25078	1.4
247.20667	9.0
273.18607	4.5
291.19653	100.0
292.20044	6.8
309.20718	73.2
310.21030	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.67960	1.6
55.22345	2.3
57.16361	2.0
58.00579	1.8
69.03458	11.6
71.10159	2.4
71.10500	3.5
83.05048	2.2
107.08648	3.8
108.05805	4.8
111.08177	16.2
119.08676	19.1
127.11308	2.9
135.08153	4.3
137.09737	69.3
137.10793	3.6
138.10046	1.8
147.91644	1.9
161.39484	1.9
169.12376	2.5
171.10283	100.0
172.10562	5.9
197.11848	39.0
198.12149	3.2
201.11314	15.2
204.59572	1.6
209.15500	2.2
211.13292	3.3
229.19498	1.9
247.20714	2.1
261.94781	1.9
265.17987	2.0
273.18582	9.0
291.19717	24.5
309.17169	3.6
309.20740	42.6
310.21042	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	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
59.01381	100.0
60.01710	2.0
71.01382	3.7
71.64563	3.0
72.99307	4.5
73.02946	2.7
83.05046	2.6
85.02950	2.2
93.03469	2.1
96.96042	2.1
97.06601	2.6
102.52628	1.7
111.04508	13.7
123.04553	2.3
145.02986	4.0
160.12849	1.6
177.12837	1.9
185.09779	1.7
239.48529	1.6
247.13322	4.4
249.08130	2.0
249.11269	3.5
252.21710	1.9
265.10898	3.7
280.05984	2.2
295.08603	2.6
309.09897	6.2
309.13446	15.1
309.16986	3.5
310.07190	3.8
310.10605	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	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.05810	1.2
57.03429	2.7
59.01379	3.8
63.18880	1.5
67.01913	1.8
69.03445	9.0
70.41043	5.0
71.05036	1.9
83.05019	4.4
85.02943	6.9
97.02953	67.8
105.58007	1.6
111.08173	3.6
119.08655	8.3
121.10180	1.6
125.09680	8.2
127.11249	2.3
137.09726	35.1
138.10002	1.8
155.10771	3.6
168.33372	1.6
171.08765	3.7
171.10265	74.3
172.10597	3.3
183.10274	3.5
185.11823	14.2
195.13853	3.0
201.11310	4.5
209.11748	1.6
211.13358	5.7
213.11244	2.3
221.11797	4.4
239.12775	4.4
240.87917	1.4
247.20490	2.7
269.28195	1.6
273.18524	6.8
283.30859	2.0
291.19626	34.1
292.20053	4.5
304.12915	1.4
309.20697	100.0
310.20963	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.04719	0.9
52.43782	0.8
57.03447	3.0
59.01390	5.0
60.19286	1.0
64.98080	0.9
69.03448	1.5
69.34136	9.9
71.01386	1.1
71.05025	2.8
73.63203	0.9
77.89259	1.3
80.02658	3.4
81.03455	2.6
81.27163	0.9
83.05027	9.2
84.02148	2.8
95.05031	1.4
96.96009	1.4
97.06602	3.3
99.00847	1.3
99.08154	1.7
111.08147	1.6
113.09738	1.3
115.07610	1.7
119.08675	1.3
123.04504	1.1
123.08158	1.8
123.78818	1.1
124.51589	1.3
125.09724	6.3
127.11327	1.7
129.90358	1.2
137.09735	20.5
139.11310	4.9
141.09210	1.3
151.03999	3.4
151.07672	10.8
151.11275	2.8
152.08409	5.1
153.09164	3.8
153.12808	1.1
155.10800	14.7
163.11247	1.4
165.12874	2.3
167.10745	1.8
169.12373	1.1
171.10287	23.8
181.24709	1.1
184.07433	1.5
193.12408	7.6
193.16034	1.5
197.11848	2.5
199.09738	2.7
200.10526	1.8
201.11267	1.7
209.11804	4.3
209.15498	9.7
211.13319	3.0
219.17719	1.1
247.20683	12.7
263.20193	2.5
264.20432	0.9
265.18115	3.0
265.21631	10.2
266.22012	1.0
271.97153	1.0
273.18558	2.4
282.01904	1.1
291.19678	52.6
291.22949	2.5
292.20081	6.3
295.08289	1.2
309.17111	15.4
309.20663	100.0
310.10629	1.5
310.17715	2.0
310.21048	8.0
310.24222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0981
Annotation	2-Oxo-6-dehydroxyneoanisatin
Peak:m/z	Relative Intensity
50.59258	2.9
55.01889	7.6
59.98161	2.8
69.03431	3.2
69.42818	29.2
73.02950	87.1
73.03343	6.8
83.05016	7.5
85.02969	3.9
89.21684	2.9
97.02933	3.4
98.20646	7.1
99.04529	12.3
107.05106	3.8
111.00872	10.5
111.04503	18.6
112.01691	15.3
113.02447	3.5
120.46622	2.4
121.06584	6.1
123.04512	11.1
123.08159	7.8
124.01672	5.5
125.02444	10.5
135.08144	18.7
137.02429	4.1
151.03995	11.9
151.07643	12.3
165.05544	6.5
166.06355	100.0
170.49272	3.3
175.11177	4.6
177.12863	26.4
179.07181	17.9
191.07159	11.5
193.12314	5.7
197.08199	68.4
198.08594	4.6
203.10767	12.1
221.11852	36.2
222.12151	5.7
243.85338	3.4
247.09763	3.5
265.10788	49.7
291.08752	7.2
309.09811	11.1
309.13181	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	309.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.5
58.00586	2.1
59.01384	100.0
68.12075	0.9
69.99266	4.1
71.01389	25.7
71.05019	1.6
72.99323	2.3
73.02952	1.7
73.84612	0.9
78.95908	1.3
83.01385	2.6
83.05037	1.0
85.02953	5.3
87.00876	2.3
89.02453	30.7
95.01415	2.0
99.00878	1.4
99.04498	1.5
101.02454	17.2
101.06089	7.1
102.56033	0.9
110.02495	0.9
112.98519	1.1
113.02448	9.5
114.05714	0.9
115.00497	1.0
119.03526	10.0
120.99561	1.7
121.02908	1.0
129.05588	13.6
130.07745	1.2
130.08716	1.1
131.06131	2.3
133.01404	1.2
138.18773	0.9
143.03542	1.7
147.06647	22.7
161.04539	4.2
175.05229	1.5
179.05574	2.7
249.33449	1.0
309.11920	67.4
310.12335	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	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.94903	0.7
57.03436	2.0
58.00586	3.2
59.01380	71.3
60.01701	0.9
71.01384	35.9
71.61920	1.0
72.99303	3.7
73.02947	2.2
75.00861	1.0
83.01393	2.4
85.02956	9.3
85.68609	0.7
87.00872	2.8
89.02448	33.2
95.01365	3.0
99.00898	1.1
99.04521	2.5
101.02449	26.2
101.06088	3.0
101.94232	0.8
110.02473	1.5
111.00880	2.3
111.04523	1.6
111.81181	0.7
113.02458	13.6
117.05541	1.5
119.03507	17.0
120.99664	1.2
129.01971	1.6
129.05571	13.2
131.03522	1.1
143.03532	1.6
147.06635	9.0
149.04530	1.3
161.04549	5.5
179.05635	2.0
309.11914	100.0
310.12268	7.4
331.88397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.69600	0.3
57.03457	1.4
59.01379	0.8
60.99313	0.7
62.57767	0.3
71.64478	0.6
73.02950	0.6
108.60506	0.3
109.49847	0.3
127.11285	3.4
132.15993	0.3
150.09569	0.3
155.72299	0.3
159.08452	0.5
177.12840	4.1
179.14417	2.3
193.15997	2.2
219.17583	1.2
223.02844	2.9
231.17578	1.9
245.19180	0.6
247.20679	17.6
248.21010	1.7
261.22287	0.8
263.23816	4.5
264.24210	0.6
289.18549	0.4
291.09131	4.4
292.09369	0.8
307.22784	100.0
308.23129	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	308.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
63.34821	0.2
69.03450	0.2
71.01386	0.5
71.62401	0.4
72.22340	0.2
83.01393	0.2
88.59335	0.2
101.02457	0.3
110.56886	0.2
135.04587	0.3
138.05655	0.3
149.95132	0.2
152.05066	0.4
164.04964	0.4
166.06645	1.1
168.04535	0.4
176.05049	0.6
177.05730	0.4
178.06653	0.7
192.04544	1.9
194.06111	5.8
195.06476	0.5
204.04462	0.3
205.05278	1.3
206.06116	1.1
220.03969	1.7
221.04840	4.7
222.05597	9.8
223.04007	0.2
223.05992	0.6
225.05800	0.3
233.04871	0.3
234.05585	2.2
236.03557	0.5
238.05000	0.4
238.95512	0.2
241.04945	0.2
248.03520	5.9
249.04291	16.4
250.05078	60.1
251.05443	4.5
252.04243	0.3
252.06651	0.7
253.04988	0.2
262.04913	0.4
276.03009	3.8
277.03659	0.7
278.04572	100.0
279.04922	8.9
280.06113	0.3
306.04291	0.3
308.05566	5.3
308.11258	0.4
309.06046	0.4
309.09760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99243	3.2
57.03440	13.6
59.01380	24.4
69.34732	31.9
70.41538	3.6
71.01384	14.8
71.05041	5.3
71.24809	3.1
83.05022	6.5
85.02967	7.0
95.05022	6.4
97.06580	28.9
98.19878	5.7
101.02498	4.6
107.05060	4.8
107.08700	4.6
109.06585	4.8
111.04543	3.8
111.08168	14.9
118.38152	4.3
121.06589	15.0
125.09716	16.2
128.35492	3.9
135.08186	8.7
137.09700	5.2
144.43588	3.8
149.05991	5.0
149.09686	7.2
151.11272	26.8
153.09215	11.6
153.12840	4.8
155.10805	10.9
163.11295	4.4
165.12839	29.2
167.10750	6.2
171.10275	34.8
177.12819	4.3
179.10709	9.8
181.12354	32.7
182.12657	4.0
185.11821	53.8
186.12137	6.1
191.10786	10.5
191.14423	9.0
197.11859	4.6
201.13029	3.8
209.11826	62.8
211.13382	11.4
212.10582	4.5
235.13390	4.0
245.19080	44.9
247.17171	4.6
261.08508	3.7
261.18533	7.8
263.20132	14.1
279.19635	9.4
285.18530	3.6
289.18054	53.9
307.11893	4.4
307.15634	5.9
307.19135	100.0
307.22690	12.9
308.05527	4.2
308.19479	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01360	0.4
71.01388	0.2
71.51469	0.3
75.85960	0.3
96.95984	0.3
113.09737	0.4
169.76651	0.2
200.30669	0.2
203.40234	0.2
307.22769	100.0
308.23102	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.98056	1.6
51.77794	1.4
52.41652	1.5
55.01868	4.7
57.03449	6.5
59.01385	13.8
65.03620	3.2
65.03968	62.5
68.99405	1.4
69.03467	2.8
69.41796	12.5
71.01379	2.1
71.05024	43.2
74.70218	1.5
83.05027	5.5
85.02933	1.8
95.05062	1.6
97.06596	71.7
101.02463	1.6
109.06574	2.3
113.89041	1.7
116.95259	1.7
119.05039	2.4
119.08662	13.4
121.06601	100.0
122.06950	5.6
123.08167	3.6
125.09735	40.7
135.08192	8.9
137.09741	4.0
141.12874	1.9
151.11288	1.5
165.12888	1.7
167.14427	1.9
169.08710	2.7
171.10268	7.0
185.11833	79.0
186.12199	3.7
209.11838	32.9
211.13423	31.4
217.12468	1.9
219.17502	1.8
233.15453	3.0
235.13388	94.1
236.13748	5.6
240.90535	1.7
249.14954	7.1
278.59204	1.7
281.56430	1.8
289.18091	24.8
290.18353	3.4
307.11047	6.0
307.15613	5.1
307.19135	34.0
307.22556	2.3
308.05679	2.6
308.19489	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.5
59.01370	8.1
66.99500	2.0
69.03473	1.9
69.22503	1.9
70.95671	3.7
70.95993	2.7
71.88944	1.7
81.03455	5.8
83.01386	8.8
83.05019	3.8
95.05006	4.2
97.02945	6.3
97.06592	12.0
109.06571	3.0
121.06604	2.5
123.04549	10.1
123.08148	3.7
125.09731	18.1
132.21754	1.7
135.08136	2.6
137.09715	12.9
141.12798	4.8
142.02698	2.6
149.06062	3.0
163.11278	14.7
165.12784	2.9
177.12802	2.6
179.10835	2.2
181.12257	2.8
185.11801	19.6
187.67531	2.2
189.46098	1.9
191.14415	22.3
206.69965	2.1
207.10231	9.9
209.11829	34.0
211.13382	2.1
217.15962	2.5
225.11305	8.5
245.19095	46.2
246.19353	3.5
251.61963	2.0
263.20175	17.4
265.18106	2.9
271.17001	5.3
289.18091	100.0
290.18387	9.4
292.71490	2.1
307.19220	60.4
307.22672	10.6
308.19424	4.3
314.61258	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03436	9.1
57.99525	5.5
59.01379	29.9
60.84821	4.6
61.98863	5.9
71.01395	6.5
71.63738	9.3
83.05007	6.2
88.98780	5.5
97.06582	13.9
107.69588	5.4
111.08175	8.8
123.04458	6.4
125.09701	7.2
135.04564	7.7
137.02362	6.6
137.06073	6.3
137.94223	5.4
151.11287	17.7
152.11682	5.2
153.09225	5.3
155.10797	13.3
161.04559	5.6
165.12802	20.4
179.10698	9.5
181.12357	23.0
185.11691	6.3
188.67947	6.3
191.10687	13.4
191.14449	11.4
209.11842	44.0
211.13310	6.2
212.03964	5.5
223.80688	5.7
245.19133	36.6
263.12820	5.3
263.20224	14.2
268.14972	5.3
279.19290	5.9
289.18033	34.6
290.18335	5.9
293.44553	6.1
307.11636	8.0
307.19104	100.0
307.22748	57.3
308.19318	7.1
308.23148	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03453	0.5
59.01385	3.9
59.92879	0.3
69.03452	0.7
71.01366	0.7
71.05026	4.7
72.87286	0.5
76.75370	0.4
80.02683	1.3
81.03455	2.3
83.05009	2.1
85.02943	0.4
95.05025	1.8
95.46340	0.4
97.02970	0.5
97.06598	0.8
98.03736	2.4
102.86527	0.4
106.04217	0.8
107.28427	0.4
109.06590	14.4
110.03693	0.5
111.04519	7.7
111.08123	1.9
112.05291	0.6
121.06573	0.7
123.04504	0.8
123.08143	1.7
125.02406	0.5
127.07664	2.7
129.09172	0.5
131.05040	0.4
135.08141	0.6
135.11838	0.5
137.06071	0.6
137.09718	1.1
143.10771	1.4
145.06609	1.9
149.06058	0.6
149.09724	1.5
151.11259	0.5
159.08099	0.6
167.10770	1.7
169.12331	0.5
177.12791	0.8
177.81517	0.5
179.10751	1.2
191.14397	0.5
195.13884	3.8
196.14372	0.5
207.17686	0.5
233.15529	0.7
235.13390	2.0
245.19113	5.1
249.15044	0.7
251.16579	0.8
271.17139	1.0
287.16562	2.9
289.18085	100.0
290.18451	9.3
307.11609	0.5
307.15637	1.3
307.19125	11.8
307.22528	0.5
308.19543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1554
Annotation	(5R)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
50.37917	0.8
52.01924	0.8
54.00880	0.7
57.03460	6.7
59.01385	9.3
69.03461	3.1
70.92288	1.9
71.01385	2.9
71.05032	1.5
79.22116	1.0
79.95782	0.9
83.05033	20.7
85.02966	2.3
95.05022	1.7
97.06653	1.1
99.04504	1.5
101.02463	0.9
105.07120	3.3
109.06584	3.6
114.58814	0.8
133.06595	11.5
134.06877	1.2
135.08157	13.6
141.07112	1.4
143.08644	1.8
145.03003	1.0
147.08214	1.5
149.06012	0.8
149.09723	1.0
159.11772	1.9
169.06528	0.8
171.08128	2.1
175.11316	1.6
177.12811	13.6
185.13414	1.5
187.11276	4.9
205.12337	20.3
206.12532	1.1
219.17569	1.6
227.14462	3.0
231.10251	32.2
232.10634	3.6
245.15433	9.8
246.15674	1.3
247.16858	0.9
249.11313	80.1
250.11649	7.9
261.18436	1.1
263.16464	2.3
263.20203	4.8
264.20135	0.8
271.13339	1.5
289.14511	22.1
289.18057	3.3
290.14700	1.6
307.15512	100.0
307.19150	30.7
308.02298	1.2
308.05722	2.9
308.15826	8.8
308.19571	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.0
59.01378	8.6
69.03456	3.5
70.94165	4.0
80.02679	2.6
81.03468	6.5
83.01396	5.8
83.05057	4.3
84.05656	1.9
95.05049	4.4
97.02969	7.0
97.06624	8.9
109.06593	3.0
113.68639	2.2
121.06601	5.9
123.04536	8.9
123.08166	5.5
125.09739	19.3
135.08168	5.7
137.06061	2.8
137.09741	12.8
141.12836	2.2
149.06032	1.8
151.11308	3.5
161.09700	3.0
163.07639	2.2
163.11324	20.3
165.12837	6.4
166.10077	1.8
171.10176	1.7
175.11272	1.8
177.12859	2.9
179.10800	3.7
181.12305	4.3
185.11830	20.7
191.10771	3.9
191.14429	18.8
195.23801	1.6
202.13583	1.7
207.10294	10.4
209.11856	27.4
210.12193	2.6
217.15916	2.4
221.86906	1.6
225.11319	10.5
245.19139	48.5
246.19467	6.6
249.18167	1.6
263.20212	9.1
263.45209	1.8
271.16937	4.9
289.18121	100.0
290.18521	11.6
307.19135	83.0
307.22803	30.1
308.19650	8.0
308.22830	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1554
Annotation	Rudmollitrin
Peak:m/z	Relative Intensity
57.03442	15.0
59.01383	41.1
65.64967	4.0
70.10497	17.7
71.01373	8.5
71.05038	7.1
81.94656	5.4
83.05042	21.0
85.02962	6.9
101.02346	4.4
109.02879	4.7
120.53986	4.7
121.06545	6.1
125.09772	4.9
173.31833	4.9
191.14339	12.7
219.17561	11.1
229.12576	4.8
245.15501	4.6
245.19121	14.1
249.11215	7.4
263.16534	29.9
263.20166	12.7
264.16785	4.2
289.18094	19.9
290.18378	5.5
307.15506	47.6
307.19128	100.0
307.22504	6.5
308.05591	12.6
308.16052	6.0
308.19400	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1552
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
52.77285	4.4
55.31491	4.9
57.03447	14.2
59.01385	63.4
69.03467	5.4
70.21404	14.0
71.01371	7.0
71.05020	5.5
74.69998	5.3
83.05019	15.9
85.02919	7.3
85.81862	5.0
97.06541	5.5
98.20558	4.9
135.08150	8.0
137.09668	6.9
149.09711	5.5
159.11751	5.7
177.12808	9.2
180.13072	5.6
187.11334	5.4
201.93587	5.0
205.12318	20.0
207.84464	4.7
219.17528	9.0
231.10254	21.6
245.15359	11.5
245.19205	6.9
249.11313	90.4
250.11812	7.1
263.16473	8.6
263.20187	12.8
289.14456	15.4
289.18027	13.0
304.72250	4.9
307.11996	10.3
307.15521	100.0
307.19125	81.9
307.22552	6.9
308.05487	9.1
308.15924	7.4
308.19431	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	1.1
62.62355	0.4
69.03349	0.5
69.52161	1.4
69.52583	2.6
73.02924	1.1
74.99071	6.2
75.96202	0.5
79.11642	0.4
85.41263	0.5
91.02196	2.6
93.00126	3.2
94.55602	0.4
107.14323	0.4
149.00967	3.6
159.08490	6.9
161.06332	1.7
177.12793	0.7
192.98053	0.9
206.99722	1.5
209.01237	2.1
217.07251	1.0
223.02837	53.3
224.02866	4.8
225.00832	0.6
231.17577	0.8
237.53914	0.5
241.03914	1.3
247.20676	3.4
263.23798	0.7
275.05780	0.6
277.21774	3.3
289.07562	1.5
291.09097	100.0
292.09201	12.6
307.12445	3.3
307.19379	1.2
307.22781	22.7
308.23199	1.7
309.10168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.70197	0.7
55.01881	1.8
57.03454	1.0
58.00600	1.8
59.01382	41.5
67.01888	2.1
69.03451	2.8
69.56683	4.6
69.57108	1.9
71.00990	1.1
71.01385	21.3
72.99306	2.3
73.02940	2.6
83.01384	4.1
85.02953	5.9
87.00879	2.1
89.02452	19.7
95.01389	1.9
96.96043	0.8
97.02966	8.3
99.00865	0.9
99.08160	21.1
101.02444	15.5
106.10172	0.9
110.02514	0.9
112.01659	2.2
113.02458	7.0
119.03513	6.0
127.07677	5.9
129.09215	2.3
131.03520	0.8
139.00356	2.3
141.01947	3.2
141.09207	1.4
145.08708	66.1
146.09038	2.6
175.03979	1.1
175.11270	1.0
187.04001	1.0
187.09790	1.3
190.06383	1.5
191.10741	0.9
205.04912	0.8
205.08521	1.1
215.03571	1.0
283.47552	0.8
307.08774	9.6
307.13989	100.0
308.14316	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56555	0.5
53.96347	0.6
55.01875	0.9
57.03444	0.7
58.00593	1.1
59.01380	40.8
62.03403	0.7
62.63091	0.6
69.03442	1.3
69.41171	1.9
69.41599	2.9
71.01386	19.5
72.99313	1.2
73.02957	1.2
83.01389	1.8
85.02941	4.8
87.00859	1.1
89.02447	19.1
95.01378	1.6
95.04987	0.6
99.08158	23.1
100.08447	0.8
101.02446	13.3
107.05048	1.1
113.02460	7.0
119.03493	7.8
123.04517	3.3
127.07651	5.7
129.09213	1.4
141.09219	2.5
143.03542	0.7
145.08707	69.0
146.09024	2.3
147.11778	2.5
159.10420	0.7
161.04646	0.7
173.09680	1.9
173.36566	0.6
175.11296	4.0
179.05569	0.9
183.15614	0.6
187.09756	2.4
191.10802	6.4
201.09186	0.8
217.08711	1.5
219.10236	2.0
235.09737	9.1
245.11905	0.7
263.09137	1.8
307.13992	100.0
308.14365	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52987	1.2
73.34277	0.3
74.99075	5.8
91.02231	2.7
93.00124	1.8
97.13338	0.4
149.00960	3.3
159.08481	7.5
161.06413	2.1
177.12852	0.4
192.98131	0.8
206.99733	1.4
209.01262	2.8
215.57521	0.3
217.07204	0.8
223.02846	47.1
224.02942	4.5
238.80118	0.4
241.03917	0.9
247.20552	1.8
263.23856	0.5
275.05872	0.5
289.07458	1.7
290.07550	0.4
291.09125	100.0
292.09259	12.5
307.12167	2.9
307.22797	10.5
308.23007	0.6
309.10242	1.3
318.74097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2123
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
57.03444	3.2
59.88539	0.6
60.99304	1.8
69.54987	4.1
83.05038	2.3
99.04523	8.5
108.23071	0.5
109.06612	1.0
111.04518	1.2
125.09799	1.3
133.02464	0.5
161.09700	1.2
164.19392	0.5
175.11299	0.9
177.12854	41.1
178.13245	2.6
193.15981	100.0
194.16330	6.6
205.15967	11.3
206.16238	0.7
237.14987	1.9
241.19604	2.7
245.19083	1.3
255.17284	0.7
257.19086	3.5
259.20660	0.6
261.22235	34.5
262.22653	3.8
287.20151	0.8
305.21219	36.5
306.21494	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	306.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.1
59.01368	0.3
59.21801	0.1
65.99811	0.1
68.51960	0.1
69.80577	0.5
71.01381	0.2
74.86939	0.1
89.02438	0.2
101.02415	0.1
109.03006	0.1
122.13773	0.1
125.02434	1.1
126.02782	0.8
137.02466	0.3
139.03961	0.1
140.04381	0.1
144.04552	100.0
145.04904	4.8
166.02275	0.2
167.03561	0.1
168.03836	0.2
180.03795	0.2
220.07019	0.3
228.06544	0.2
283.88306	0.1
306.06870	1.1
306.09848	0.1
314.40698	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	306.2076
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
57.03461	1.7
59.01388	9.4
61.39347	2.0
61.98824	2.1
71.01375	4.5
71.63750	2.3
79.39804	1.8
83.05029	1.9
101.21684	1.9
109.06531	2.8
113.04019	2.1
119.08630	1.9
135.04504	2.2
137.09724	4.0
143.04597	2.6
158.96227	2.1
168.10280	10.9
174.12892	5.1
195.14018	2.1
210.08627	2.6
220.13289	2.7
239.20161	4.5
242.19231	2.2
244.20737	17.3
247.09723	2.6
262.22473	2.9
270.18671	12.8
271.18896	1.9
288.19742	36.4
289.20477	11.0
306.04123	7.2
306.07336	2.9
306.20895	100.0
307.11768	4.1
307.15439	3.9
307.18915	26.2
307.22559	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98831	100.0
62.98535	0.4
63.99246	0.3
70.92367	0.7
77.91770	0.2
121.02948	0.7
161.98941	0.8
162.98476	0.5
163.98679	1.0
164.96391	61.7
165.96465	4.2
183.18581	0.3
206.97440	25.1
207.97540	2.0
222.95180	0.3
264.96530	0.5
265.71362	0.3
306.97513	16.7
307.97540	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1188
Annotation	14-Dihydroxycornestin
Peak:m/z	Relative Intensity
57.03454	6.3
58.47299	0.8
59.01386	9.2
60.99304	3.5
69.03465	3.4
71.01383	1.8
71.05009	1.6
73.02946	1.3
75.52831	0.9
78.78767	0.7
81.03473	1.6
82.62924	0.8
83.05029	12.0
85.02963	3.2
85.06568	1.1
93.03479	1.4
95.05044	2.6
97.02965	1.9
97.06597	5.3
98.03736	2.2
98.20624	2.3
99.04549	1.3
107.05048	3.1
109.06610	2.1
111.04559	2.0
113.70996	0.8
119.08669	2.4
119.82561	0.8
120.05772	1.2
121.02950	1.7
121.06614	5.8
123.04524	1.8
123.08169	2.9
124.01745	0.9
125.09692	1.5
133.06615	1.5
135.04530	96.0
135.08176	3.4
136.04855	5.0
137.02457	1.3
137.09737	3.3
139.07695	1.2
147.08177	7.9
149.06091	13.3
149.09721	1.0
150.06860	6.7
151.07671	1.4
157.06636	0.9
158.07414	1.0
159.08084	2.0
161.06041	1.1
161.09724	2.2
163.07640	1.0
165.09242	3.7
171.08197	1.9
173.09795	1.0
175.11240	4.2
177.12947	1.2
185.09822	1.2
187.07671	1.6
191.10881	2.1
196.39246	0.9
199.11317	1.2
201.12851	3.5
205.08716	11.0
217.12317	5.4
219.10262	1.3
219.13942	2.0
219.17610	3.1
235.13387	94.8
236.03450	1.8
236.13701	6.4
237.04247	1.7
245.11833	29.6
245.19106	4.8
246.12178	3.3
247.13425	1.8
249.15030	1.2
252.44734	0.8
263.12930	8.7
263.16489	3.8
263.20309	2.5
263.31567	0.9
264.03082	1.5
265.03799	1.6
289.10791	18.0
289.18073	2.8
290.11163	2.4
293.03394	1.2
307.11935	100.0
307.15518	10.8
307.19244	22.0
307.22867	3.5
308.02072	2.6
308.05725	3.6
308.12283	9.5
308.19626	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	305.1755
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03449	16.4
59.01372	3.1
65.03963	1.7
69.03458	2.9
71.05019	1.9
71.63676	1.7
79.05540	8.4
83.05024	4.4
85.02982	1.6
87.00884	3.3
93.03423	1.5
95.05054	2.0
97.06590	6.3
106.04261	2.8
107.05044	12.9
108.05355	1.1
109.06615	1.4
111.08179	1.9
120.05825	2.0
121.06638	1.7
123.08156	4.3
125.02505	1.5
125.09702	5.6
131.08678	24.8
133.06575	2.9
135.08174	36.9
136.08507	2.0
147.08105	1.9
149.09729	14.7
159.11810	3.7
177.12851	3.6
185.13387	3.3
199.11244	1.4
201.12878	9.5
219.13901	100.0
220.14232	8.4
229.12338	28.1
230.12648	1.4
233.11917	1.6
243.17374	2.2
247.13440	2.7
249.14977	16.6
250.15207	1.6
287.16553	10.8
287.84424	1.2
305.14462	1.4
305.17639	39.9
305.21149	5.8
305.24469	1.9
306.17990	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	50.5
58.02968	1.0
59.01389	1.5
63.46568	0.9
63.70233	1.0
67.53395	0.9
69.03455	2.1
71.27074	2.3
78.25954	0.9
79.52042	1.0
83.05029	2.2
85.02949	1.7
85.06580	3.2
105.07070	2.7
107.05034	2.0
109.06628	1.6
125.02472	2.0
129.44736	0.9
131.08652	5.1
133.06593	6.4
135.08115	1.4
147.08168	1.5
149.06087	1.5
149.09726	2.5
168.74284	0.9
177.12814	1.3
184.16422	0.9
185.13373	1.1
201.12848	6.9
219.13904	100.0
220.14211	7.8
229.12393	5.3
231.10107	1.3
243.17503	3.8
249.11313	3.6
261.18625	1.9
261.22147	3.7
277.18082	1.6
287.16589	7.4
305.14200	1.9
305.17538	13.1
305.21204	35.3
306.18079	1.8
306.21536	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.42636	0.9
59.01380	2.5
61.44295	1.0
62.07137	1.0
63.64856	1.0
69.03486	1.1
70.33096	1.1
70.74324	0.9
71.01387	1.3
71.05022	19.9
71.46994	1.1
81.03475	1.7
83.05042	2.7
86.31877	1.1
93.03448	1.8
95.05043	10.9
95.52365	1.0
96.57139	1.0
97.02934	1.0
107.04997	1.3
109.06597	8.7
111.04526	3.1
120.65415	1.0
121.06544	2.3
122.03713	1.5
123.04505	1.3
123.08141	2.7
125.02412	1.0
130.13899	0.9
135.08160	1.4
137.06075	4.5
147.04480	1.8
147.08163	3.3
149.06096	1.8
153.09201	1.1
161.06076	1.4
165.09227	7.3
165.12929	1.0
189.12897	14.6
190.13147	1.4
205.15990	8.3
206.16309	1.3
219.13828	2.3
231.13789	1.0
233.11824	3.2
243.17519	6.6
244.17798	1.1
247.13399	2.4
249.15047	7.6
259.20364	1.1
261.18610	35.1
261.22089	3.2
261.51291	0.9
262.18839	3.4
269.15308	1.7
272.54529	1.1
287.16553	44.3
288.16824	5.7
305.17554	76.4
305.21201	100.0
306.17862	7.1
306.21506	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	305.1395
Annotation	13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide
Peak:m/z	Relative Intensity
53.62632	0.6
57.03441	1.1
57.68330	0.5
59.01380	100.0
60.01714	1.0
68.99785	0.4
70.64725	1.5
71.01386	1.9
71.59148	0.4
73.02956	1.0
83.01414	0.7
85.02985	0.8
97.06590	5.2
101.02465	1.5
106.04223	0.5
112.17234	0.5
113.02499	0.7
119.08755	0.5
120.05769	0.6
121.06605	2.6
122.03777	0.6
123.08169	1.0
125.02461	1.2
133.06627	0.7
134.05727	0.4
135.04517	0.6
135.08232	1.3
137.02377	0.8
139.65985	0.4
147.08163	1.8
149.06094	0.9
151.07623	0.7
153.33551	0.6
161.04565	0.5
175.11275	0.7
180.82135	0.5
183.11824	1.4
189.12952	1.0
201.12837	3.5
219.13914	4.5
220.14433	0.6
243.10291	0.5
243.17485	0.6
245.11946	1.7
247.09782	1.3
261.14923	1.6
261.18454	0.7
287.12909	1.8
287.16223	0.6
305.06744	2.0
305.13953	68.8
305.17267	3.5
306.04019	1.4
306.14291	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	305.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95255	0.6
57.03455	9.6
59.11292	0.6
60.73355	0.6
64.77664	0.6
67.01893	0.6
69.03461	1.8
69.83483	3.3
69.83862	1.1
77.33621	0.6
81.03471	3.8
83.01389	4.6
93.03451	3.1
95.01390	2.7
95.05009	3.3
97.02956	4.5
107.05048	0.8
109.02957	15.5
110.03366	0.6
110.65012	0.7
111.04524	5.3
112.49348	0.6
121.02965	3.7
122.99522	0.6
123.00873	5.8
123.04527	1.7
124.01699	4.5
125.02447	100.0
126.02785	3.6
135.04512	2.0
137.02448	29.9
138.03191	2.5
139.04015	22.4
140.04442	0.8
147.04599	1.3
149.02473	1.4
149.06078	1.8
151.04036	3.3
155.03568	1.0
159.04512	2.4
161.02460	3.4
161.03619	0.6
162.03142	1.0
164.01157	6.5
165.01939	21.0
166.02641	1.0
167.03506	19.0
168.03833	0.7
173.06104	1.6
175.04018	3.2
175.07674	0.9
176.04675	1.1
177.01945	1.5
177.05576	5.7
178.71304	0.7
179.03503	20.5
191.07164	3.0
201.05528	1.4
203.03520	3.7
204.04279	2.9
215.07144	0.8
218.05846	1.2
219.06619	16.3
220.06860	1.0
221.04527	7.6
228.03903	0.7
233.08086	0.9
237.07700	1.2
243.06578	1.4
245.04506	0.7
247.02611	0.9
261.07697	6.0
263.05637	1.3
264.11926	0.6
287.05582	1.2
305.06659	64.5
306.06985	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1141
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.56371	0.2
59.01377	0.5
62.77620	0.2
65.99843	0.3
69.03442	0.4
69.38419	2.0
71.01376	0.3
74.99104	0.3
82.02984	3.9
83.03337	0.2
87.41074	0.2
92.05080	0.6
94.02989	1.6
95.69286	0.2
96.04557	4.2
97.02968	0.4
99.04504	0.2
110.06141	0.4
120.04572	0.9
122.02473	0.3
122.02807	0.3
122.03730	4.3
122.06134	1.8
125.02453	0.9
136.04062	1.6
136.04948	0.3
137.02438	0.3
138.05612	100.0
139.05960	3.6
149.04762	0.5
150.05603	0.6
157.02354	0.2
161.04709	0.5
165.01926	0.2
168.64090	0.2
174.05605	0.6
174.33516	0.2
188.07143	1.0
190.08783	0.9
202.08708	0.5
216.10239	0.7
217.06172	0.5
218.06992	2.4
218.11832	1.2
229.06090	0.4
230.74585	0.2
233.09320	4.0
242.34705	0.2
244.09837	0.7
245.09357	0.8
261.12427	9.5
262.12720	0.7
287.10333	1.2
305.06464	0.4
305.11420	14.0
306.11636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	42.7
59.03332	0.6
63.59134	0.3
70.04411	0.3
70.49982	0.3
70.50314	0.5
73.97209	0.3
77.77420	0.3
84.81789	0.3
89.29282	0.3
98.20586	0.3
104.37753	0.3
131.38992	0.3
136.03912	0.4
168.13950	100.0
169.14290	4.8
195.55876	0.3
212.12964	3.8
259.39767	0.3
304.19760	1.8
305.17557	0.7
305.21042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34211	0.6
57.03451	8.6
57.72623	0.7
58.47264	0.7
69.03453	1.5
69.92172	1.3
69.92577	1.9
80.85963	0.6
81.03455	4.1
83.01373	3.1
93.03474	2.6
95.01393	2.7
95.05045	2.5
95.56618	0.7
97.02952	4.2
98.20485	0.9
107.05028	0.8
109.02963	14.2
111.04508	4.9
121.02965	2.7
123.00875	6.4
123.04540	1.2
124.01669	5.8
125.02451	100.0
126.02803	2.9
135.04524	2.2
137.02448	31.7
138.03175	1.3
139.04018	22.2
140.04337	0.8
143.80342	0.6
147.04567	1.0
149.02441	0.9
149.06114	1.6
151.04013	2.5
155.03523	1.3
156.49672	0.6
158.03807	0.7
159.04535	1.9
161.02472	3.5
162.03227	1.2
164.01155	7.2
165.01935	22.2
166.02492	1.6
167.03499	24.4
168.03731	0.9
173.06026	1.0
175.04004	2.9
175.07646	0.7
176.04643	0.8
177.01857	2.2
177.05531	3.4
178.02716	1.0
179.03499	24.3
180.03783	0.8
181.04987	0.9
191.07153	2.9
199.07516	0.8
201.05598	1.8
203.03566	3.8
204.04250	4.1
215.07092	1.3
218.05844	1.2
219.06636	18.9
219.08711	1.5
221.04591	11.8
233.08040	1.0
237.07707	1.3
238.35461	0.7
243.06555	1.3
245.04489	0.7
256.60571	0.6
261.07626	8.3
263.05765	1.1
279.33173	0.6
287.05615	1.3
305.06668	91.4
306.06982	7.7
307.96240	0.6
311.96643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	TAXIFOLIN-(+/-)
Peak:m/z	Relative Intensity
57.03450	16.7
57.03732	1.0
59.01371	2.5
61.98832	5.0
65.00323	4.2
67.01888	0.8
68.81236	0.6
69.50907	4.6
73.02950	0.8
73.07996	0.7
81.03473	1.4
83.01387	7.3
87.04518	0.6
93.03474	2.4
95.05029	0.6
97.02953	0.9
98.20710	0.8
105.03472	0.8
107.01389	3.1
108.02155	0.8
109.02965	7.3
111.00900	1.3
121.02969	3.7
122.03688	0.9
123.04532	6.8
124.01670	2.5
125.02448	100.0
126.02773	2.5
127.12655	0.7
131.05038	0.8
133.02979	1.0
137.02448	17.5
138.03217	0.7
139.04041	3.0
139.53387	0.7
143.05031	1.4
145.02951	0.6
146.03706	1.1
147.04506	2.8
149.02470	6.5
150.03253	7.0
151.00388	8.6
151.04019	10.5
152.01169	4.8
153.01926	7.9
159.04478	1.4
161.02477	1.1
161.06078	1.3
163.00339	0.6
163.03967	0.9
165.01918	5.2
165.05577	1.7
166.02635	1.0
167.03494	2.4
171.04498	1.9
172.05254	0.8
173.06059	1.7
174.03229	4.1
175.04001	17.6
176.04265	1.0
176.57161	0.6
177.01933	18.1
178.02359	1.0
178.99861	7.9
179.03528	1.0
181.01448	1.4
187.04034	1.3
188.04761	1.7
189.05521	5.3
191.03485	1.5
193.05074	4.3
195.04704	0.6
197.06064	0.9
199.04018	8.9
201.01906	3.1
207.06580	1.3
213.05577	2.1
215.03506	1.8
216.04216	1.6
217.05042	12.1
218.05318	0.8
219.03004	1.1
231.06635	2.3
233.04669	0.6
235.06102	1.9
241.05063	8.0
242.02353	0.8
242.05392	0.6
243.02985	2.5
257.04584	2.4
259.02646	0.6
259.03473	0.9
259.06085	7.7
275.05655	7.6
285.04047	61.2
286.04337	4.5
296.21457	0.7
303.05133	13.5
303.08798	1.6
303.14478	1.4
303.18155	3.9
304.05524	1.2
324.81796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
50.15242	1.3
55.01885	2.9
57.03437	4.4
59.01361	2.4
67.01874	2.4
69.33029	10.3
69.33439	2.2
71.01394	3.2
81.03459	7.8
83.01381	4.0
85.02961	5.3
93.03467	4.1
95.01395	4.5
95.05048	1.6
95.44942	1.3
97.02955	7.3
99.00890	14.5
99.04513	1.3
105.03465	1.3
107.05061	1.7
108.02125	2.4
109.02953	28.3
111.00889	21.5
113.02447	2.2
117.52203	1.4
119.05050	1.8
121.02956	6.0
123.00887	9.2
123.04469	4.5
124.01634	2.8
125.02448	100.0
126.02755	2.9
127.00371	4.1
131.05020	1.5
133.02939	3.9
135.04501	2.9
136.01649	1.7
137.02443	44.6
138.03181	4.4
139.00374	31.2
139.03989	3.7
140.01157	4.1
141.01942	70.2
142.02245	2.5
145.02985	3.0
147.04543	6.8
149.02441	11.6
149.06100	1.4
151.00343	1.6
151.03989	3.5
152.01140	2.4
153.01932	59.8
154.02379	1.6
158.03712	1.9
159.04489	2.1
161.02444	33.6
161.06055	3.6
162.03110	3.9
163.00406	2.5
163.03976	5.8
164.01144	3.8
165.01904	15.5
166.02673	4.8
167.03484	12.5
171.04509	3.8
173.02444	5.4
173.06076	1.4
174.03206	4.4
175.03993	35.0
176.04282	2.6
177.01917	18.4
178.99831	1.9
180.00653	6.3
181.01440	7.9
185.06061	2.5
187.03990	3.6
188.04842	1.9
189.05550	8.2
191.03497	6.1
193.01436	2.6
193.04955	2.9
197.06047	2.5
198.03171	2.3
199.03996	7.3
201.01929	10.8
202.02524	2.5
203.03549	6.6
203.07108	2.1
211.04123	1.6
213.05539	5.1
215.03455	2.6
216.04327	2.0
217.05048	31.5
219.02904	1.9
223.04100	3.1
229.05013	1.8
231.06593	5.8
235.06049	9.7
239.03427	2.2
241.05074	8.6
243.02902	2.1
257.04529	12.0
259.06073	10.4
261.03992	4.7
275.05618	2.0
285.04050	39.9
285.12439	2.1
286.04532	2.7
303.05090	59.8
303.14600	1.4
303.18094	1.4
304.05563	7.2
308.24973	1.4
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
54.23504	0.4
60.97520	1.1
64.04482	0.4
64.37762	0.4
65.32550	0.4
74.99114	0.7
89.66320	0.4
91.93186	0.4
94.41856	0.4
98.20734	0.7
109.34408	0.4
134.99414	5.0
136.97316	2.4
141.07439	0.5
143.05330	0.9
148.09821	0.4
159.08453	0.8
161.06429	6.4
200.59036	0.4
203.05693	3.7
205.03642	1.1
215.05652	0.9
217.07225	76.4
218.07378	7.6
229.15883	0.4
285.13498	34.5
286.13766	3.7
301.16614	100.0
302.16788	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03448	5.7
59.01373	1.9
61.68266	0.6
61.98826	2.1
65.00327	0.9
69.03450	1.3
71.12650	1.0
80.55853	0.5
81.03459	0.6
83.05010	0.6
85.06557	1.0
93.03424	0.6
95.05033	4.4
95.05563	0.7
97.06591	26.5
98.06898	0.6
98.19908	0.5
99.08134	0.8
99.71797	0.6
103.71218	0.6
109.06512	0.5
111.08177	2.2
113.06100	2.0
113.09727	1.8
115.07628	1.1
121.02940	0.7
123.00875	0.6
123.08158	5.9
125.09724	74.9
126.10040	3.2
131.07147	4.3
138.03194	0.9
139.11307	1.3
151.00337	1.8
159.06676	3.3
159.10269	4.9
161.06102	0.5
169.08690	1.8
173.08160	0.7
187.09756	52.8
188.10121	2.7
221.19101	31.6
222.19437	2.4
239.16531	2.4
239.20123	3.3
257.21243	2.3
265.18073	18.5
266.18515	2.1
271.05939	0.7
283.15610	4.1
283.19186	19.2
284.16388	0.6
284.19507	1.9
286.04803	0.9
300.99902	3.5
301.03568	2.2
301.16605	46.9
301.20248	100.0
302.16928	5.1
302.20581	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	303.0511
Annotation	3,5,7,2',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03443	3.5
59.01372	2.1
59.09298	1.4
65.03944	1.9
67.01873	2.3
69.03470	3.0
69.38237	10.1
69.38644	3.0
70.90768	1.2
70.93608	1.4
71.01382	1.4
81.03465	2.6
83.01396	8.5
93.03461	4.3
95.01398	2.3
97.02933	2.5
107.05045	1.8
109.02299	2.3
109.02966	28.2
119.05012	2.4
121.02981	8.8
121.03692	1.7
123.00871	2.8
123.04461	1.8
124.01613	5.9
125.02451	51.7
126.02764	1.8
137.02451	100.0
138.03152	4.8
143.04997	2.8
145.06619	2.1
145.47469	1.7
146.03770	2.0
147.04500	5.4
149.02443	9.4
150.03174	5.0
151.03990	6.8
153.01929	5.1
157.06647	2.2
159.04506	2.1
161.06097	2.0
163.03983	4.2
164.01215	2.2
165.01927	31.1
165.05598	2.4
171.04485	4.0
173.02466	3.8
173.05995	1.9
174.03200	5.9
175.03979	10.6
177.01939	18.2
179.03494	2.0
185.06064	3.5
187.03978	5.8
187.07735	1.7
188.04778	2.1
189.05617	11.1
191.03459	10.0
193.05128	8.6
199.03989	8.2
201.01915	3.2
201.05624	2.8
205.05006	4.2
207.06662	15.6
211.03978	2.3
213.05569	7.2
215.03497	6.4
216.04007	1.8
217.01508	1.6
217.05058	18.0
218.02231	1.9
218.05264	1.7
219.02966	5.3
228.82256	1.5
229.05022	4.9
231.06558	6.3
233.04552	8.4
235.06108	13.9
239.03644	1.9
241.05098	14.3
243.02872	4.8
245.00887	1.6
247.06061	1.9
257.04541	15.2
259.02335	2.0
259.06070	14.5
260.03265	1.6
260.06329	1.4
261.04031	5.6
274.04889	8.9
275.05582	23.7
276.05978	1.9
285.04047	23.7
285.12531	1.8
286.04303	1.7
303.05093	47.6
303.23093	2.2
304.05444	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08925	0.5
57.03448	5.9
59.01373	1.3
61.98824	1.7
62.09255	0.4
65.00335	0.5
66.11831	0.4
68.87744	0.5
69.02106	0.4
69.03459	0.8
70.77814	1.0
70.78152	0.4
71.05022	0.9
76.68433	0.5
81.03492	0.5
83.01356	0.6
83.05032	1.5
85.06601	1.4
93.03454	0.8
95.05057	2.7
97.06590	19.3
97.66348	0.4
98.06932	0.7
99.08140	1.1
109.55954	0.5
110.00069	0.8
111.08151	6.0
113.06087	2.9
113.09729	1.4
115.07639	0.6
121.02924	0.6
123.00913	1.6
123.08169	6.5
125.09722	88.4
126.10065	3.2
127.11327	0.6
131.07149	7.7
138.03264	0.7
139.00330	0.5
139.11302	1.0
143.10799	1.1
145.08745	1.1
145.18579	0.4
151.00308	2.5
159.06595	2.1
159.10258	2.8
161.52533	0.5
165.99110	0.7
169.08728	2.6
173.08188	2.0
178.99828	1.0
183.13910	0.7
187.09750	66.5
188.10124	2.5
221.19090	34.0
222.19417	3.3
227.12920	0.6
237.18684	0.9
239.16537	3.3
239.20201	3.0
245.04567	1.0
257.21240	1.5
265.18063	17.8
266.18445	1.5
273.04016	2.0
283.15558	3.7
283.19144	17.5
284.19492	1.4
286.04581	1.3
300.99881	5.6
301.03455	3.3
301.07098	1.7
301.16562	54.3
301.20197	100.0
302.00443	0.7
302.16873	5.2
302.20551	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03270	0.4
57.03447	2.0
59.01373	3.2
61.98837	5.2
63.02383	0.6
65.00330	1.5
69.36811	3.6
71.01380	1.0
71.05014	0.6
75.55056	0.4
83.01369	0.8
83.05016	0.8
83.91778	0.5
89.02482	0.6
91.04015	0.8
93.03466	0.9
97.02942	0.4
97.06638	1.0
107.01402	2.9
109.02964	0.8
110.00108	0.5
113.09685	0.6
119.05029	0.5
121.02947	1.6
123.00882	2.0
125.02402	0.6
125.09763	0.8
138.03215	0.7
139.00391	0.6
141.33611	0.6
149.02444	0.8
151.00380	4.6
152.01152	0.5
161.02455	0.6
165.12874	3.4
165.99129	0.5
178.99876	2.2
183.13904	100.0
184.14249	6.3
189.90431	0.5
199.03888	0.5
201.05608	0.5
206.99309	0.5
209.11818	2.9
211.04039	0.7
221.19122	14.0
222.19467	0.9
227.12898	5.7
229.05086	1.0
239.20253	1.0
240.04259	2.0
241.05070	1.8
241.14450	1.8
245.04549	1.8
257.08194	1.5
257.21228	0.6
265.18109	7.3
268.03912	0.8
271.06018	0.5
273.04007	1.8
283.06244	2.4
283.16437	0.7
283.19229	7.1
286.04727	1.1
286.08151	0.6
300.99915	4.6
301.03519	7.9
301.07162	3.2
301.10910	1.5
301.16583	13.3
301.20224	47.3
302.03870	0.8
302.07169	0.8
302.17456	0.8
302.20374	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	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15885	0.5
56.62590	0.6
57.03456	1.2
59.01397	3.2
61.98837	7.2
63.02393	1.0
65.00333	2.1
83.01395	1.3
83.05044	0.6
89.02464	0.6
91.04025	1.1
93.03460	1.4
98.19846	1.1
100.34570	0.5
105.69948	0.5
107.01389	3.0
110.00132	0.8
111.08186	0.5
119.05043	0.7
121.02972	1.6
123.00914	1.8
125.09722	0.8
135.04536	0.7
151.00366	6.4
151.04092	0.6
152.01086	0.9
161.02405	0.6
165.12848	3.4
165.99063	0.7
178.99831	2.8
183.13910	100.0
184.14261	6.1
201.01988	0.5
209.11836	2.3
212.04762	0.5
213.05659	0.7
221.19128	11.3
222.19455	1.1
227.12910	4.1
229.05064	0.9
237.18655	0.6
239.03577	0.9
240.04308	2.0
241.05078	2.3
241.14456	3.6
245.04558	2.2
257.04449	0.7
257.08240	1.3
265.18069	6.8
266.18326	0.6
268.03842	0.6
273.04019	2.3
283.06216	3.9
283.19168	6.2
284.19614	0.8
286.04742	1.7
300.99911	6.5
301.03543	9.5
301.07184	3.8
301.10971	1.2
301.16595	12.3
301.20233	37.6
302.00235	0.9
302.03885	0.8
302.20511	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	301.093
Annotation	Isotachioside
Peak:m/z	Relative Intensity
50.05965	0.3
54.99674	0.3
59.01387	0.9
61.98834	1.9
65.95583	0.3
66.04897	0.3
71.01384	3.5
71.31425	0.8
73.02951	0.8
85.02963	1.5
89.02442	0.5
92.90645	0.4
93.03465	0.5
95.01392	4.7
96.22417	0.4
99.00864	0.4
101.02470	2.2
108.02192	0.5
109.02979	0.8
113.02456	2.7
114.92153	0.4
121.02982	2.7
122.03751	0.9
123.00891	100.0
124.01787	5.0
137.02431	2.9
138.03235	59.4
139.00360	0.8
139.04050	12.0
140.04344	0.4
143.03473	0.5
143.94278	0.3
149.02437	2.1
150.03195	0.7
151.04045	1.5
159.03030	0.6
161.04582	4.0
163.04021	0.7
166.02731	2.1
167.77780	0.4
178.02710	1.2
181.03575	0.7
181.05048	5.8
193.05057	2.4
301.09250	2.9
301.16696	0.5
302.09799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
60.99253	0.5
61.98826	2.3
69.51163	1.2
69.51584	2.8
83.01437	0.5
85.02861	0.4
94.75005	0.5
118.06630	1.9
119.30370	0.5
122.06172	0.8
129.61258	0.5
135.68208	0.6
147.03276	1.6
148.04039	0.7
153.18227	0.6
155.10808	0.7
160.04048	11.1
161.04831	100.0
161.17844	0.6
162.05597	16.8
164.03542	6.0
164.55676	0.5
175.02753	6.1
176.03435	1.8
179.79051	0.5
192.03032	11.0
193.03806	57.3
194.04219	3.4
208.02454	1.2
240.10266	1.7
253.06148	0.9
271.10867	28.4
272.11151	2.0
283.10870	94.9
284.11179	9.7
301.00186	0.7
301.11929	29.7
301.16483	2.0
302.12268	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	301.0355
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.12487	0.3
61.98836	1.4
63.02403	9.3
63.67951	0.3
65.00327	16.3
66.00654	0.3
68.76697	0.3
69.29828	3.2
71.01382	0.4
71.28588	0.3
83.01392	10.7
93.03471	5.0
95.01402	0.7
98.19872	0.6
107.01395	28.4
108.01707	0.8
108.04571	0.4
108.99329	0.5
109.02961	3.8
120.02197	0.4
121.02965	22.0
122.03304	0.8
123.00900	0.5
124.01704	0.4
125.02448	1.0
136.07649	1.0
137.02443	0.5
139.04037	2.1
145.02972	0.4
147.00867	0.4
148.01625	0.5
149.02461	3.4
151.00375	73.0
152.00720	2.3
159.04478	0.9
161.02432	1.7
163.00407	1.6
163.03993	1.2
164.01172	1.9
167.05057	0.5
169.01442	2.9
175.03943	0.9
177.01888	0.4
178.99858	27.1
180.00201	1.2
183.04486	0.5
185.06099	0.4
187.03995	1.5
192.00616	0.7
193.01425	1.5
201.05484	1.3
203.03491	0.6
205.04990	0.9
211.03995	1.3
213.02051	0.5
215.03505	0.6
227.03511	1.1
229.05075	2.2
230.02126	0.5
243.02948	0.5
245.04546	1.8
255.03029	1.0
256.03595	0.4
257.04587	1.3
257.12906	1.4
271.02603	0.4
273.04025	4.0
291.60590	0.4
299.01810	0.7
301.03537	100.0
301.20010	0.6
302.03870	8.5
302.07111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
57.03443	0.5
59.01387	0.9
61.98845	2.4
63.02400	8.8
65.00328	18.4
66.00648	0.8
69.79990	1.3
69.80408	1.1
80.02698	1.6
83.01392	10.5
83.01875	0.8
93.03461	3.5
95.01379	0.9
107.01395	26.8
108.02198	13.5
109.02959	0.5
110.00097	0.7
119.05009	0.5
121.02989	1.3
123.00900	2.4
123.04541	4.1
124.01640	0.8
125.02459	1.7
134.03748	38.3
135.04410	1.5
136.01668	7.6
137.02374	0.9
139.00401	0.5
149.02373	0.7
149.06090	22.6
150.06421	1.1
151.00377	60.6
152.00797	2.7
153.01895	0.5
153.49026	0.4
159.04497	0.6
160.01619	0.6
161.02446	0.7
163.00368	1.1
163.04121	0.7
163.99850	0.9
164.01160	10.6
165.01982	3.4
165.12756	0.9
169.01407	4.4
174.03230	1.5
175.03963	0.8
176.04579	0.4
177.01929	6.5
178.99879	2.0
183.13950	2.6
193.00372	0.4
196.00148	8.9
199.03963	1.2
201.01894	1.9
201.05672	0.5
206.99319	1.2
208.00053	1.0
210.24767	0.5
211.03969	0.6
215.03517	1.2
227.12830	0.5
229.01306	0.6
241.77644	0.4
242.05797	1.1
245.04485	4.7
255.02936	0.6
256.03555	0.5
257.04608	0.6
257.08298	0.5
269.04300	0.4
271.02618	0.5
271.05978	0.6
273.04044	5.2
285.04025	1.4
286.04749	4.6
286.07965	0.9
300.99890	4.4
301.03635	7.2
301.07156	100.0
301.21469	2.1
302.04337	0.6
302.07526	10.7
306.88934	0.4
312.90479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	91.6
60.01717	0.6
63.63514	0.3
66.57468	0.3
70.06732	1.5
73.01465	0.5
74.99386	0.4
81.86632	0.3
98.19827	0.3
111.58970	0.3
111.90704	0.3
114.98887	1.0
115.01742	0.6
115.02522	9.4
116.98725	0.8
117.00452	9.5
118.00539	0.5
141.00418	0.6
155.91032	0.4
156.99985	0.9
157.03590	1.8
157.99994	0.3
159.01497	100.0
159.97395	0.8
160.01633	7.0
180.78200	0.3
198.99327	0.4
201.02550	22.0
202.02754	1.5
217.00504	1.0
241.00560	0.5
257.03635	0.5
259.01581	3.6
260.01584	0.5
301.02676	45.7
301.21713	0.4
302.02853	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	301.035
Annotation	Rhynchosin
Peak:m/z	Relative Intensity
57.03440	3.3
59.01377	4.2
61.90148	1.1
61.98829	8.5
63.02401	10.7
63.61729	1.1
64.79791	1.1
65.00323	25.9
68.99796	1.4
69.48019	8.3
75.00867	1.0
81.03438	1.0
83.01382	20.0
85.02960	1.5
87.04478	1.2
91.01858	1.6
93.03461	46.5
95.01398	6.0
106.24030	1.1
107.01389	41.1
108.02191	2.5
109.02969	12.1
111.00890	1.3
111.08170	1.2
114.57014	1.4
117.03492	8.0
119.01336	2.2
119.05035	2.1
121.02959	7.9
123.00872	4.6
123.04519	2.3
124.01665	8.2
125.02448	15.6
130.01186	1.1
135.00880	5.1
135.03647	1.6
135.04477	7.5
136.07674	1.5
137.02417	5.4
139.00429	1.7
139.04001	3.7
143.05035	1.6
145.02937	4.4
145.06509	1.3
147.04564	1.8
148.09886	1.0
149.02457	4.4
151.00371	93.3
152.01178	27.6
153.01953	7.9
157.06604	1.1
158.03697	1.7
159.04500	8.5
161.02409	12.3
161.06099	1.8
163.00381	17.5
163.03998	1.6
164.01100	2.7
169.01387	4.3
171.04530	2.2
173.02484	1.4
173.06078	2.1
177.05498	2.6
178.99867	34.3
180.00212	2.4
181.01465	1.3
183.04498	2.6
185.02353	1.3
185.06026	4.1
185.11867	1.5
187.04045	3.7
189.05577	2.0
191.03510	4.8
201.05551	9.5
205.05086	1.4
206.99359	29.8
208.00119	18.6
209.11819	1.1
211.04024	4.3
213.05513	4.4
215.03485	5.2
215.07179	5.2
221.11687	1.9
227.03557	2.1
229.05136	7.4
233.04562	1.3
239.12859	4.2
245.04535	81.9
246.04878	5.3
255.03041	6.3
256.03336	1.5
257.04526	12.2
257.13358	2.4
272.02908	4.3
273.04047	100.0
274.04404	7.9
283.02414	6.7
300.99872	6.5
301.03482	51.4
301.07086	5.2
301.12878	3.2
301.16489	6.3
301.21555	4.2
302.03745	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	299.1866
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03455	6.0
59.01390	5.4
65.00327	5.8
69.03451	1.8
69.31672	11.0
71.05019	1.8
73.02971	1.3
78.95904	6.2
80.59283	0.9
83.05026	2.0
85.03015	0.9
87.10297	1.1
95.05038	5.2
97.06590	20.3
111.08160	4.2
118.32221	1.0
125.09737	1.9
136.98813	7.5
137.09726	1.5
138.05634	2.7
139.11296	45.3
140.11610	1.5
171.04437	0.9
172.05295	1.1
183.10294	16.7
183.13930	2.8
186.03275	1.2
200.04890	1.0
201.11301	6.9
211.04025	1.1
212.04803	1.7
227.03510	1.8
237.18634	12.2
256.03714	1.5
263.16614	2.1
263.94073	1.1
271.02579	3.2
281.17621	19.1
282.17963	1.2
283.02707	1.2
284.03265	38.8
285.03650	4.5
299.02063	3.5
299.05634	17.4
299.14749	5.1
299.18683	100.0
299.25803	3.2
300.05753	1.2
300.19064	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	299.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07718	0.5
52.41599	0.5
53.00016	0.5
56.59223	0.5
56.94899	0.5
57.03448	0.6
65.00303	1.6
69.33892	2.0
69.34315	2.6
102.87341	0.5
120.57402	0.4
136.98831	2.8
184.01514	0.6
185.00764	1.3
186.03357	0.6
192.57336	0.5
200.04839	0.6
212.04820	0.8
227.03490	0.6
228.04230	0.6
235.20654	0.9
237.22229	67.3
238.22578	5.6
255.23264	1.7
281.21207	31.3
282.21637	2.8
284.03268	14.3
284.06409	0.9
285.03641	1.1
299.05624	6.6
299.15091	4.5
299.22278	100.0
300.05939	0.9
300.22644	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	299.2594
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
52.79182	0.5
58.12132	0.4
59.01388	0.7
65.00341	2.7
67.54275	0.5
69.83218	2.5
89.35255	0.5
89.63716	0.4
99.92582	0.5
106.11945	0.5
117.03501	0.7
136.98825	4.0
138.05620	1.3
141.12889	3.1
157.12320	1.3
164.01141	0.9
183.04520	0.6
184.05453	0.5
200.04758	0.7
211.03934	0.9
212.04753	1.1
227.03545	1.0
253.25319	0.9
256.03622	0.7
271.22791	4.3
272.23215	0.6
281.24875	1.7
283.02368	0.9
284.03290	22.3
285.03625	3.2
297.24329	0.7
299.05646	9.6
299.20438	25.2
299.25891	100.0
300.02679	0.6
300.05911	1.4
300.20676	3.2
300.26230	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01367	0.6
62.69021	0.3
63.03530	0.3
65.00340	0.7
70.66458	0.3
83.05031	0.4
83.18447	0.3
108.01407	0.3
136.98828	1.7
183.04466	0.4
212.04739	0.5
253.25401	3.9
255.02995	0.4
281.24820	1.4
283.02316	0.4
284.03284	7.6
285.03638	0.7
297.24362	0.8
299.05710	3.7
299.25919	100.0
300.26254	8.5
320.67181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
65.00319	0.8
70.14149	0.8
70.30709	0.2
85.33636	0.2
98.19944	0.4
136.98795	1.0
138.05740	0.3
184.05432	0.2
186.03113	0.3
211.03995	0.3
214.17093	0.2
227.03497	0.4
228.04105	0.3
251.23737	0.3
253.25372	4.0
254.25732	0.4
281.24847	1.2
284.03268	6.5
285.03583	0.8
297.24265	0.7
299.05637	2.9
299.25903	100.0
300.06024	0.3
300.26230	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	300.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58709	0.2
53.47610	0.2
63.02393	1.1
65.00323	2.9
67.56072	0.2
69.32721	2.4
83.01399	1.4
91.01884	0.6
93.03442	0.8
95.01422	0.3
107.01415	4.4
108.02184	4.4
109.02966	2.9
117.56139	0.3
119.01305	0.3
120.02180	0.4
121.02962	2.5
123.00898	0.4
124.01690	0.8
125.02394	0.3
135.00883	1.6
137.02452	0.3
138.05589	0.6
139.03967	0.3
143.05008	0.4
147.00848	0.7
148.01680	5.0
149.02405	0.9
151.00380	11.6
152.01186	0.5
152.85431	0.3
155.05011	0.7
157.02959	0.5
159.04474	0.5
163.00374	2.8
164.01230	1.4
165.01863	0.4
167.05058	0.4
169.01450	0.4
171.04555	1.3
174.03253	0.6
175.03990	0.5
178.99864	3.5
182.03740	0.3
183.04512	1.8
185.02400	0.5
187.04034	1.7
188.04764	0.3
192.00641	0.6
194.00011	0.3
197.02324	0.2
198.03191	1.0
199.03993	4.7
200.04420	0.4
201.01923	1.8
202.02657	0.3
203.03593	1.4
211.04028	2.3
213.01886	0.7
214.02510	0.4
215.03488	3.2
216.04228	0.8
226.02756	1.9
227.03526	7.6
228.03899	0.7
229.01411	1.2
229.04892	0.4
241.83530	0.3
242.02214	0.7
243.03000	22.2
244.03416	1.7
245.04565	0.9
249.90234	0.3
254.02209	2.2
254.45551	0.3
255.03001	35.8
256.03317	2.5
270.01602	0.3
271.02496	80.8
272.02911	8.2
273.03961	0.5
283.02536	0.9
288.29736	0.3
297.11905	0.3
299.02148	2.1
300.02768	100.0
301.03406	22.4
301.16550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1501
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
50.71602	0.4
57.03434	1.6
58.00600	0.8
59.01138	0.4
59.01383	5.6
65.00334	0.5
69.03458	3.2
69.04880	0.4
71.01384	9.1
71.05004	1.2
71.61760	0.5
73.02939	1.6
74.99114	0.4
81.03434	0.9
83.05016	1.6
85.02959	4.2
85.06580	0.7
87.04483	0.6
89.02450	0.5
92.66595	0.3
93.03441	2.1
95.05021	0.6
97.02914	1.0
97.06586	2.4
99.04507	0.7
107.05020	0.9
109.06595	2.5
111.04502	1.1
113.02454	0.6
115.04008	3.0
115.07622	1.3
121.06569	1.5
121.10209	0.7
123.03239	0.8
123.04523	0.7
123.08143	1.2
124.00751	1.3
125.06071	0.6
125.09710	1.8
136.98813	0.9
137.02437	5.4
137.05986	0.5
137.09706	0.8
138.05608	7.3
139.07654	0.6
141.09213	0.5
149.09721	0.7
152.03537	0.6
161.09634	0.5
162.03111	0.4
163.11327	0.9
165.09169	1.1
168.07896	0.6
173.09677	0.4
173.13351	0.4
177.12856	2.0
179.10789	3.7
181.12294	1.0
189.12772	0.8
191.10771	1.3
191.14355	1.0
193.12361	0.4
201.12845	1.0
207.13982	0.6
212.00169	0.5
217.12340	2.3
219.13928	1.8
235.13383	6.3
237.14983	2.1
242.80942	0.4
252.58119	0.4
253.14484	2.9
255.15987	11.8
256.16364	0.8
281.13943	1.7
284.03314	3.9
284.08716	2.0
285.30426	0.4
299.05820	1.9
299.14975	100.0
300.05533	0.8
300.11667	0.8
300.15305	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	299.15
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
57.03458	3.5
58.00599	1.4
59.01384	4.8
69.03454	0.8
69.74049	1.6
69.74458	0.8
71.01379	0.8
72.99337	0.5
73.02946	1.1
78.81644	0.5
81.03438	0.4
83.05020	0.8
85.02950	1.8
95.05041	0.8
95.74796	0.3
97.06145	0.4
97.06605	4.1
98.03716	0.5
99.04523	1.3
107.05049	0.6
109.02954	0.5
109.06615	0.4
111.04542	2.8
113.06086	0.4
119.35950	0.5
121.06597	4.3
122.03722	1.9
122.06892	0.4
123.04520	0.9
123.08174	5.3
125.06086	2.4
135.04491	0.5
137.02464	0.5
137.06062	1.2
137.09718	1.4
149.06035	2.2
149.09660	0.5
151.07652	1.5
153.08401	0.3
153.09241	3.1
161.09749	3.9
163.07646	1.5
163.11285	1.8
165.09204	1.0
175.11272	1.4
177.12877	0.6
179.10802	1.9
181.08713	0.9
185.09727	0.7
188.08449	0.6
191.14439	3.3
193.12338	1.4
201.12880	0.6
203.10774	8.8
204.11156	0.7
219.13905	2.6
221.11832	7.4
223.09689	0.6
241.10765	0.8
255.16000	1.8
266.07382	0.5
281.13983	0.6
284.03387	0.7
284.08600	0.6
299.15002	100.0
300.15335	9.5
300.18811	0.6
300.22952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01870	1.0
57.03438	2.5
58.00587	4.1
59.01379	100.0
65.00314	1.3
69.28006	8.5
71.01383	63.6
72.99311	5.8
73.02950	2.3
74.99124	1.3
75.00896	1.1
80.56329	0.8
80.96523	1.4
83.01393	3.5
83.05026	1.5
85.02950	11.8
87.00880	3.4
87.04534	1.1
88.04043	1.1
89.02444	78.8
90.02784	1.2
93.03461	1.7
95.01382	3.6
97.02967	1.2
101.02441	29.2
107.05030	2.4
109.02902	0.9
111.04493	1.0
113.02448	24.3
119.03512	26.7
119.05009	17.8
123.00867	1.3
124.00758	1.5
126.04269	0.8
131.03481	2.6
135.08060	0.8
136.98785	1.8
137.02420	8.1
137.06082	1.4
138.03117	0.8
138.05592	3.2
143.03500	3.8
149.04556	1.5
161.02443	1.3
161.04541	2.1
166.99788	1.3
179.05565	3.6
181.01418	1.7
182.02200	2.0
188.22878	1.0
197.04514	2.6
225.03883	1.3
239.05537	2.4
284.03226	9.4
284.08829	2.4
285.03494	1.2
299.04999	4.9
299.08197	2.0
299.11295	7.7
299.14993	13.2
300.05426	2.6
300.11429	1.5
300.14996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91211	0.5
55.01879	1.0
57.03445	2.0
58.00592	2.4
59.01378	51.8
60.01695	0.6
65.00337	0.8
65.03975	0.6
70.14669	1.1
70.15067	1.1
71.01383	38.4
72.99317	2.0
73.02959	2.4
75.00862	0.7
83.01398	2.0
83.05016	0.7
85.02956	7.4
87.00887	1.2
89.02448	38.7
93.03458	60.8
94.03828	1.6
95.01404	2.6
95.05019	0.7
99.00871	0.9
101.02444	17.9
108.02189	0.8
108.04631	0.7
113.02451	13.9
119.03519	15.7
119.05017	19.7
119.19744	0.5
120.05327	0.6
123.03271	8.9
123.04250	0.6
123.04535	0.5
131.03494	1.3
136.05290	1.8
137.02448	100.0
137.06058	1.7
138.02829	3.6
138.05609	73.4
143.03545	1.3
149.04532	0.8
151.99927	1.0
152.03574	2.2
161.04529	1.9
179.05592	1.9
180.06631	1.8
197.94765	0.7
208.19244	0.5
211.04073	0.6
212.00253	2.1
217.12363	0.8
219.13835	0.8
235.13377	1.6
253.14299	0.8
255.16025	2.1
281.13724	0.6
284.03275	3.4
299.05515	1.8
299.11353	3.1
299.14948	28.2
300.10931	4.9
300.15277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.70500	0.3
57.03431	0.6
59.01383	1.9
63.02381	0.7
65.00344	2.3
71.62813	0.4
72.99313	0.4
74.99080	1.1
75.00859	0.7
75.16341	0.3
78.91853	0.5
79.95744	3.0
81.03439	0.4
83.01364	0.7
83.05029	0.4
107.01377	1.5
125.02392	0.5
130.08635	0.4
132.02119	0.6
133.02986	0.4
134.03711	0.7
135.04626	0.3
136.16797	0.3
136.98811	2.6
137.02455	0.3
137.39633	0.3
138.05568	0.5
141.09245	0.3
149.02443	0.5
149.99545	0.4
151.00401	2.5
157.43886	0.4
164.01212	0.4
177.12759	0.5
177.24231	0.4
183.04466	1.3
184.05281	0.4
193.15933	0.4
195.13892	1.4
199.04016	0.8
200.04796	0.6
211.03922	1.0
211.07661	0.6
212.04781	0.6
227.03542	3.1
231.61885	0.3
236.13631	0.3
237.04219	0.5
237.14909	1.9
239.03398	0.6
239.12871	0.8
242.05663	0.4
255.03017	2.5
256.03757	25.6
257.04156	1.9
271.02533	1.9
281.14078	0.6
283.02429	1.2
284.03256	100.0
285.03619	8.4
299.05597	69.1
299.15173	2.3
299.25989	0.4
300.02621	1.4
300.05881	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	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.7
65.03969	0.6
69.52767	2.4
71.01385	2.6
73.02944	0.8
73.76465	0.3
84.49071	0.3
85.02949	1.6
89.02444	0.9
93.03465	63.4
94.03796	2.3
95.01373	0.4
101.02457	1.8
113.02454	0.8
119.05049	0.5
123.03265	0.7
129.07361	0.4
137.02454	100.0
138.02782	3.7
138.05621	7.4
152.03520	0.4
156.14752	0.3
168.01430	0.3
268.16211	0.4
299.07776	1.0
299.15024	0.6
300.10974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24993	0.5
59.01373	0.7
79.30700	0.5
79.95747	1.8
119.05023	1.0
121.28403	0.4
170.00450	1.0
183.01198	51.9
184.01878	4.1
197.02751	2.3
198.03528	0.7
216.00993	3.7
265.27142	0.5
274.74353	0.5
297.15286	100.0
298.15625	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	297.2073
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
57.03448	6.2
58.33192	0.2
59.01384	3.2
61.35161	0.3
61.65641	0.2
66.74883	0.2
67.95042	0.2
69.03458	5.0
70.39533	0.5
70.39925	0.6
71.01385	1.1
71.05018	1.8
77.21944	0.2
83.05035	0.2
85.02966	0.3
89.02428	1.4
91.96706	0.3
97.06591	0.6
98.19907	0.3
101.02470	0.7
109.06622	0.3
113.02422	0.4
119.03517	0.3
132.77673	0.2
135.06685	0.4
137.09735	0.8
151.11334	0.5
153.12881	0.4
165.12849	3.8
167.14413	3.2
183.17534	5.7
191.14360	0.3
193.15953	2.8
207.13918	0.5
209.15485	0.5
209.19113	0.4
217.15929	0.4
219.17558	1.0
235.17010	2.6
235.20674	1.2
237.14944	0.5
237.18623	3.8
245.01582	0.3
253.14409	0.6
253.18085	15.3
253.21724	10.5
254.18379	1.0
254.22081	1.0
261.14908	2.1
279.16010	0.9
279.19669	0.7
297.17105	21.5
297.20709	100.0
298.07217	0.3
298.17429	2.1
298.21063	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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01381	1.9
62.07065	0.4
69.50444	2.1
69.50863	0.9
94.90601	0.3
98.19942	0.8
110.34780	0.3
137.09807	0.4
139.11346	0.5
139.56715	0.4
141.12885	1.6
155.10776	14.7
156.11131	0.5
167.28560	0.5
183.01202	2.3
221.70299	0.4
279.23303	12.3
280.23651	1.6
289.88257	0.4
295.22961	1.1
297.15399	4.5
297.24353	100.0
298.15527	0.7
298.24701	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	297.1343
Annotation	Tehranolide
Peak:m/z	Relative Intensity
54.93920	0.4
55.01859	0.5
57.03438	2.3
59.01378	3.2
69.03460	1.3
69.76674	1.3
69.77068	0.8
71.01394	2.3
71.05013	0.4
72.99315	1.2
73.02931	1.7
81.03461	1.2
83.01393	1.0
83.05026	2.5
84.02186	0.5
85.02952	2.4
85.39433	0.4
87.04511	1.2
89.02439	0.6
95.05015	1.6
96.96031	0.7
97.02943	0.9
97.06613	2.2
99.04513	2.5
101.02423	0.6
109.06592	1.1
111.04521	14.1
113.02438	0.9
121.06610	1.3
122.03737	0.6
123.04497	0.9
123.08100	1.0
125.05494	0.3
125.06107	3.6
125.09751	0.5
127.04026	1.1
133.06581	0.6
135.04530	1.1
135.08151	1.5
137.06084	2.3
137.09712	1.3
138.03218	1.1
139.04042	3.1
139.07599	0.6
141.05583	4.5
141.99919	0.4
147.08138	0.6
149.06075	0.7
150.03233	1.1
150.06808	0.4
151.07713	0.9
153.09225	0.8
161.06053	0.5
161.09691	1.5
163.07646	0.5
169.06564	0.8
169.10141	0.5
173.09694	1.9
175.07680	0.6
175.11278	3.7
177.09126	0.5
179.07193	0.6
181.08701	0.8
181.10225	6.5
183.08055	0.8
186.06888	1.5
189.12881	0.9
191.10860	1.9
199.09735	0.8
199.11301	9.1
200.11644	0.7
201.09258	2.7
202.09877	0.7
204.07918	9.1
205.08292	0.6
217.12372	5.1
219.10275	6.2
223.09677	0.5
235.13365	1.1
237.11298	3.3
237.50108	0.4
243.10307	1.0
253.14479	1.2
254.08090	0.5
261.11398	1.2
279.12350	7.8
280.12515	0.6
281.10318	1.0
282.07761	0.8
283.08478	1.2
297.13425	100.0
298.10742	1.4
298.13760	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	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93177	0.3
57.03447	2.5
57.39198	0.3
59.01387	3.7
69.03454	1.4
69.71756	0.7
69.72167	1.3
71.01382	2.6
71.05008	0.5
72.99287	1.2
73.02938	1.9
80.73908	0.3
81.03439	1.3
83.01402	1.1
83.05030	3.6
85.02949	3.1
87.04514	1.0
89.02441	0.5
95.01366	0.5
95.05035	2.0
97.02959	0.8
97.06594	3.0
97.84398	0.3
98.19915	0.7
99.04507	2.5
101.02452	0.7
107.05027	0.8
108.02172	0.7
109.02911	0.5
109.06580	0.9
111.04522	14.0
111.08184	0.4
112.04826	0.6
113.02440	1.0
113.06113	0.9
119.08660	0.9
121.02965	0.4
121.06570	1.4
122.03791	0.5
123.04507	1.2
123.08145	0.6
125.06083	3.8
127.04012	1.3
133.06577	0.8
135.04486	1.1
135.06601	0.4
135.08153	1.0
137.06113	2.1
137.09715	1.0
138.03227	1.3
139.04018	3.5
139.07672	0.4
141.05585	3.7
149.06026	0.9
149.09731	0.4
150.03239	1.4
151.07652	1.2
153.09267	0.9
157.10185	0.4
159.08200	0.5
161.09714	1.4
163.07584	0.4
163.11255	1.1
165.09158	0.9
165.12801	0.5
169.06549	0.9
169.10155	0.5
173.09735	2.2
175.11299	3.7
177.09200	0.6
179.07111	0.5
179.10809	0.4
181.10202	6.4
182.10582	0.6
183.08144	1.1
186.06825	1.6
189.12877	0.8
191.10770	1.7
193.12344	0.5
197.08061	0.5
199.09685	0.9
199.11296	8.4
200.11684	0.7
201.09196	4.0
204.07904	10.1
205.08292	0.9
207.10233	0.6
217.12318	7.0
218.12561	0.5
219.10226	6.9
235.13348	1.2
237.11328	3.7
243.10239	1.4
253.05043	0.7
253.14442	1.7
254.08247	0.4
261.11273	1.0
279.12378	8.6
280.12448	0.4
281.10281	1.7
282.07672	1.0
283.08481	1.9
297.13412	100.0
297.24329	1.5
298.10751	2.1
298.13754	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	297.1344
Annotation	Tehranolide
Peak:m/z	Relative Intensity
53.75725	0.4
56.69596	0.5
57.03442	1.4
58.75495	0.4
59.01388	3.9
69.03442	1.1
70.43192	1.4
71.01383	6.9
72.99296	1.0
73.02948	1.0
75.00880	1.3
83.05020	1.8
85.02946	1.4
89.02437	1.8
93.03464	0.5
95.05034	0.7
97.02908	0.7
97.06556	0.7
99.04504	2.0
101.02409	1.4
101.49564	0.5
106.04238	0.5
107.05022	0.6
108.02184	0.6
108.47361	0.5
109.02953	0.6
109.06577	0.7
111.04523	1.8
113.02424	1.1
119.03478	0.9
119.08656	1.2
121.06605	2.5
122.03688	0.8
123.08139	1.0
125.06039	0.8
130.57359	0.5
133.06566	1.2
135.04506	0.5
135.08104	0.9
136.05333	0.8
137.06061	1.5
139.07579	0.8
143.08673	0.8
145.10185	0.8
149.06122	0.8
155.07188	0.6
155.08623	0.8
157.10190	2.0
159.11861	0.5
161.04625	0.7
161.09657	0.5
164.64542	0.5
165.09044	0.5
169.06635	2.9
169.10222	1.1
171.08115	1.3
171.11763	1.4
172.08868	0.6
173.09680	2.0
175.11287	0.7
177.09265	0.6
179.05537	0.8
179.10753	0.8
181.08685	0.7
181.10217	8.6
183.08142	8.3
184.08836	1.7
185.09708	0.8
186.06845	1.2
187.07693	0.6
187.11282	2.0
189.12813	1.4
191.03432	0.5
195.10176	0.5
197.05989	0.5
197.08028	0.6
197.09709	2.2
199.11292	20.7
200.11586	1.4
201.09157	2.2
215.10677	2.2
217.12321	8.9
218.12610	0.8
224.04681	0.6
225.05531	1.3
233.11823	1.1
235.13370	1.8
243.10223	1.0
253.04936	1.0
254.05748	1.3
254.08167	1.4
261.11346	1.9
279.12354	1.5
281.06854	0.6
282.07739	5.5
283.05591	0.7
283.08453	6.3
284.71085	0.6
296.09186	0.9
297.10004	12.2
297.13385	100.0
297.24390	1.4
298.07285	0.8
298.10648	6.3
298.13791	6.5
312.47070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03445	2.4
57.73137	1.1
58.00585	3.5
59.01380	100.0
60.01711	1.3
60.99966	0.9
63.62795	1.0
69.87287	4.0
69.87706	2.5
71.01382	61.9
72.99295	5.7
73.02961	7.7
75.00882	5.6
81.03433	1.4
83.01373	4.0
85.02955	17.1
87.00879	4.4
89.02444	79.9
90.02773	1.0
95.01394	4.7
97.02944	1.8
98.19837	1.2
99.00887	2.9
101.02444	39.1
111.15132	1.2
113.02449	26.5
119.03506	34.2
125.02471	1.2
129.51425	1.1
131.03474	3.7
135.06631	22.9
141.01961	2.3
143.03511	7.4
149.04575	1.8
159.02950	1.9
161.04546	17.7
179.05612	22.3
204.43492	1.1
262.04398	1.2
297.08252	16.5
297.11847	51.3
298.08859	1.6
298.12131	3.0
300.35605	1.1
307.95801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
58.00584	3.3
59.01379	100.0
68.28706	1.1
70.44999	3.3
71.01384	55.1
72.99294	3.8
73.02957	5.7
80.00541	1.0
81.45412	1.3
83.01390	3.9
85.02939	14.1
87.00865	2.9
89.02444	74.2
93.76283	1.3
95.01375	3.2
101.02443	38.2
103.04006	1.2
107.93065	1.4
113.02454	25.0
117.05566	1.3
119.03502	30.3
131.03534	2.0
135.06641	20.8
143.03499	4.7
149.04524	1.8
161.04529	13.9
169.46609	1.1
179.05614	19.3
220.14296	1.2
230.33586	1.4
237.09845	1.5
297.11893	38.2
298.12140	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.59337	0.4
55.71095	0.3
57.03433	1.1
59.01379	2.0
69.62000	2.8
71.96811	0.3
83.22386	0.4
86.90795	0.4
98.20601	0.7
113.09751	3.1
177.12865	0.7
179.14413	0.8
181.12303	0.4
195.13899	19.0
196.14221	1.2
277.21722	17.9
278.22070	1.4
295.22766	100.0
296.23090	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03432	0.5
59.01364	1.5
69.03432	0.5
70.54388	1.0
70.54794	1.1
77.34847	0.5
99.08188	0.8
101.69729	0.5
114.73809	0.5
125.09689	1.0
127.11346	0.7
153.43967	0.4
171.10265	35.7
172.10606	1.6
183.10214	3.9
195.13925	1.2
229.86783	0.5
246.39577	0.5
277.21710	45.0
278.22034	4.6
295.22769	100.0
296.23093	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.94268	0.3
53.56140	0.3
59.01382	2.0
61.98836	0.9
64.31153	0.3
69.81078	0.3
71.01390	0.7
77.28768	0.3
99.00837	0.4
99.92651	0.4
115.92059	0.6
116.92872	1.6
125.42690	0.4
161.04431	0.4
233.96976	0.3
249.22253	0.4
255.11485	0.4
265.21869	1.6
277.21707	4.0
278.22171	0.4
281.07178	0.5
293.20996	0.5
295.22775	100.0
296.09341	0.6
296.23114	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	297.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
56.54147	1.0
57.03422	0.9
58.00582	1.7
58.15697	0.7
59.01384	42.6
63.53614	0.9
64.39958	0.9
69.03445	2.5
70.94681	1.9
71.01386	28.1
72.99297	4.0
73.02959	5.0
75.00880	32.5
78.95913	1.7
81.41902	0.9
83.01388	2.6
85.02952	5.5
87.00871	8.9
89.02455	29.4
95.01401	1.9
97.02974	1.5
99.00889	6.4
99.41357	0.9
101.01853	1.7
101.02450	17.1
105.01945	2.6
111.69126	1.0
113.02453	10.2
115.00356	2.9
117.01934	4.5
119.03506	11.7
122.03577	1.1
129.01959	1.4
131.03476	1.1
135.02931	1.6
136.99213	1.1
141.01932	2.2
147.02959	2.1
149.04550	1.3
161.04573	1.8
168.96187	0.9
177.03970	0.9
179.05659	2.4
193.03604	5.1
219.10309	0.9
221.06766	1.6
237.06174	6.7
279.07169	1.3
297.08286	100.0
298.08591	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.54615	0.5
57.03458	1.0
58.45981	0.7
59.01388	4.8
69.03469	0.5
69.39909	1.5
69.40323	4.0
69.49714	0.5
70.63091	0.7
71.01383	1.4
81.42899	0.6
83.05031	0.8
98.20684	1.2
99.08170	0.9
99.85402	0.6
101.02485	0.7
102.59740	0.6
106.90395	0.6
109.57958	0.6
113.09722	0.8
119.51867	0.6
125.09692	1.4
127.11288	0.7
129.05495	0.6
171.10281	43.6
172.10658	2.1
195.13913	1.0
202.06982	0.6
259.20529	0.6
277.21729	59.9
278.22028	5.7
295.22760	100.0
296.05917	0.6
296.09351	1.5
296.23132	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03449	0.8
59.01381	2.7
71.45701	1.1
95.46329	0.6
105.09373	0.6
113.09722	2.0
123.53268	0.5
181.12439	0.7
183.13914	2.4
195.13907	15.7
196.14215	0.6
222.15892	0.7
229.37312	0.6
232.83424	0.7
251.23888	0.7
277.21710	16.4
278.22110	1.4
295.22778	100.0
296.20023	1.1
296.23117	11.9
319.92783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66150	0.9
55.01880	5.1
57.03442	4.7
58.00598	4.9
59.01382	100.0
70.49577	2.2
70.49983	1.2
71.01386	85.0
72.01715	1.3
72.99320	6.9
73.02950	17.0
74.99107	1.0
83.01387	8.2
85.02951	28.5
87.00857	5.4
87.04543	1.9
89.02448	63.9
89.53144	0.9
95.01408	6.4
97.02965	2.4
99.00890	9.3
99.04481	1.1
101.02448	67.5
101.06101	2.1
102.02775	1.3
111.00842	1.2
113.02451	34.8
115.04010	2.9
117.05556	1.3
119.03512	27.9
120.99683	1.7
122.00580	0.9
125.02435	1.8
129.01950	1.1
131.03493	2.8
132.90860	0.9
133.05077	1.3
133.07764	1.3
133.08685	8.7
133.50562	0.8
134.03551	0.9
136.99171	1.0
143.03506	6.1
145.05032	1.2
159.03001	5.1
161.04565	35.5
165.01880	1.2
179.05615	5.0
192.04210	1.8
219.03174	0.9
295.04874	0.9
295.10339	10.5
295.13971	40.4
296.14359	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	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01377	0.3
65.55751	0.3
69.03448	0.5
70.94516	0.7
83.05026	0.6
84.02155	0.3
92.38579	0.3
95.05051	0.5
97.06594	0.5
98.95611	0.7
127.11274	1.4
141.11777	0.6
141.12859	9.4
142.13171	0.6
150.92343	0.3
155.14429	4.0
169.15976	0.3
191.17963	0.3
231.21347	0.3
236.83273	0.3
247.20599	0.4
249.22231	9.0
250.22575	0.8
277.21646	0.7
288.92633	0.3
295.22778	100.0
296.23145	11.5
296.26569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.119
Annotation	Dihydrotutin
Peak:m/z	Relative Intensity
57.03444	1.6
59.01384	1.8
69.03449	3.9
70.09509	1.4
71.01379	1.1
71.05025	2.9
72.99310	1.0
73.02943	0.4
81.03461	0.7
83.05027	3.4
85.02956	1.7
93.03429	0.6
95.05038	2.4
97.02956	6.1
97.06599	0.8
98.03754	0.5
98.20584	0.4
99.04530	3.7
107.04984	0.7
108.02196	0.6
109.02956	1.6
109.06607	1.3
111.04530	5.0
111.08155	0.6
113.02421	0.9
115.03266	0.7
115.04026	10.2
116.04331	0.4
117.07122	0.4
119.05055	0.4
121.02972	0.4
121.06586	0.8
122.03718	0.9
123.04533	4.3
123.08167	2.5
125.02462	1.5
125.06081	5.3
125.09718	1.6
127.04060	0.4
127.07699	0.9
133.06583	0.8
135.04515	1.5
135.08179	11.4
136.05322	0.6
136.08476	0.9
137.06067	1.3
137.09680	0.8
138.03230	1.5
138.06883	0.5
139.04025	1.0
139.07646	1.8
149.06090	0.6
150.03207	0.7
151.04063	0.7
151.07623	1.2
152.04797	0.6
153.05615	2.9
153.09229	11.5
155.07172	1.9
155.39459	0.3
158.80867	0.3
164.04811	2.3
165.05589	7.0
169.08578	0.5
173.09695	0.8
179.07175	0.6
183.06584	1.9
184.05321	2.3
185.06006	0.6
187.07500	0.4
187.11263	1.0
189.12840	1.4
191.10823	0.7
197.09697	1.0
198.21878	0.4
199.07634	1.3
200.08429	4.1
203.07047	0.4
205.12473	0.8
207.13969	0.4
215.10789	3.2
218.09494	4.4
233.11835	7.1
234.12198	0.6
235.09702	0.5
236.10545	2.1
237.07658	0.7
237.11172	0.7
251.12856	3.3
255.32870	0.4
259.09689	0.6
267.08948	0.7
268.09802	0.5
277.10861	4.1
295.11877	100.0
296.09219	4.6
296.12265	8.7
297.50922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42339	1.0
55.01867	1.8
57.03440	2.4
58.00591	3.1
59.01380	91.1
63.57307	1.1
70.04218	5.7
71.01384	51.7
72.99299	3.9
73.01198	1.3
73.02959	2.4
74.99091	1.3
75.00853	1.2
83.01360	1.8
83.34538	1.1
85.02959	11.4
87.00877	3.7
89.02446	56.4
90.02749	1.4
90.98597	2.4
93.32015	1.2
95.01396	3.9
98.20558	1.3
99.00832	1.5
101.02444	31.3
111.00866	1.2
111.29873	1.1
113.02452	19.2
115.00370	7.1
115.04016	4.2
119.03506	24.4
120.99660	3.6
129.02011	1.3
131.03488	2.9
133.05081	7.1
143.03468	2.8
145.06949	2.1
161.04582	2.9
163.04001	2.3
163.08018	1.5
164.04755	2.4
178.06439	1.4
179.00223	1.5
179.05591	2.6
179.07080	2.0
265.07153	1.3
277.07159	1.7
295.10342	100.0
296.10498	6.9
311.25879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1183
Annotation	Amotin
Peak:m/z	Relative Intensity
53.49020	0.3
57.03444	1.0
58.00577	0.4
58.92822	0.3
59.01380	7.7
59.11116	0.3
60.01744	0.3
60.53218	0.3
61.39910	0.3
69.03448	1.0
69.71747	1.7
71.01392	1.8
71.05006	0.5
72.99297	0.6
73.02931	1.1
81.03445	0.7
83.01373	0.6
83.05028	0.8
84.02187	0.3
85.02951	1.2
89.02447	0.8
95.05003	0.5
97.02959	0.7
97.06592	0.8
98.19862	0.3
99.04523	0.6
101.02445	1.1
103.02464	0.3
105.03431	0.4
107.05026	0.9
109.06545	0.4
111.04504	0.5
116.83922	0.3
119.05024	0.8
121.02928	0.7
121.06573	1.5
123.04534	0.4
123.08084	0.3
125.06104	0.8
132.02176	6.0
133.02975	5.1
133.06578	0.3
134.03740	13.3
135.04446	1.1
135.08173	0.8
136.01678	0.6
136.05235	0.3
137.02432	0.6
137.06070	1.1
137.09711	0.6
139.04013	0.5
139.07660	0.3
145.02956	0.5
147.04510	5.0
147.08109	0.5
148.05316	2.2
148.42093	0.3
149.06090	6.3
149.07176	0.4
149.09740	0.5
151.03976	0.4
151.07666	0.5
153.05566	0.6
155.07506	0.3
160.01651	23.2
161.02072	1.2
161.06032	0.4
161.96065	0.3
163.03966	0.7
163.07608	0.5
163.11311	0.4
164.04747	0.4
171.11731	0.3
173.09697	0.5
175.04001	22.7
176.04767	9.9
177.01913	1.7
177.05281	0.9
177.09167	0.4
178.02711	1.6
179.03432	0.6
187.11267	0.8
189.09157	0.4
189.12811	0.7
191.07129	13.7
192.04265	0.3
192.07457	0.7
193.05054	11.4
194.05313	0.8
202.02698	0.5
203.10851	0.4
205.12279	0.8
207.06627	1.4
215.10767	0.4
217.05000	1.1
220.03758	2.0
221.04219	0.3
223.06148	0.4
231.10260	0.4
233.11816	0.9
235.05983	18.3
236.06555	1.4
249.11227	0.9
251.12918	2.5
275.36795	0.3
280.05862	1.2
295.08420	9.9
295.11829	100.0
296.08810	0.9
296.12167	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	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
59.01095	0.7
59.01379	11.7
69.03421	0.5
70.60484	0.8
71.01376	2.5
72.99299	1.0
73.02914	0.7
79.33176	0.4
80.57790	0.4
81.61310	0.4
83.01378	0.5
85.02942	1.6
89.02461	1.2
97.06565	0.5
101.02412	0.9
105.03441	1.0
107.05022	0.6
108.02151	0.7
109.06553	0.6
111.04506	0.7
117.03391	0.5
119.04994	1.1
121.02988	1.0
121.06586	0.9
125.06032	0.8
132.02168	9.6
133.02974	8.1
134.03741	21.6
135.04482	0.8
135.08145	0.5
136.01646	0.6
137.02400	1.5
137.06027	0.9
146.03748	0.5
147.04515	7.0
148.05307	3.3
149.06094	9.6
151.04062	0.8
153.05516	0.6
160.01659	38.7
161.01971	2.2
162.03168	0.6
163.04016	0.5
163.07660	1.2
164.04849	0.6
165.09189	0.9
175.04001	37.9
176.04764	17.7
177.01945	3.1
177.03296	0.4
178.02748	2.8
179.03535	0.5
189.12758	0.6
191.07135	24.0
192.04268	0.7
192.07413	1.2
193.05063	19.1
194.05324	1.2
200.27863	0.5
202.02774	0.6
205.12355	0.9
207.06628	1.3
217.05064	1.8
220.03725	3.3
221.04308	0.6
223.05966	0.7
233.11864	0.8
235.06073	30.3
236.06380	2.3
249.11272	0.9
251.12955	2.6
254.66913	0.4
255.89388	0.5
280.05881	0.8
295.08298	15.8
295.11813	100.0
296.08942	0.9
296.12167	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21986	0.9
58.00586	3.7
59.01381	92.3
67.88736	0.9
71.01382	44.6
71.11391	2.3
72.99307	3.8
73.02948	2.4
79.63109	1.1
79.70947	1.0
83.01398	2.6
85.02952	10.5
87.00885	1.3
89.02445	53.8
95.01401	3.6
99.00861	1.2
101.02443	30.5
109.47787	1.0
113.02456	19.9
115.03982	1.0
119.03506	20.2
131.03459	2.4
133.05038	1.6
133.08708	1.1
143.03484	2.5
149.04573	2.3
151.39877	1.0
161.04553	5.2
161.07196	3.5
164.05809	1.0
174.09273	1.0
179.05608	2.6
205.12299	1.2
258.74304	1.0
295.10336	100.0
295.13379	3.8
296.10736	5.9
316.20697	0.9
319.73764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sidnutol
Peak:m/z	Relative Intensity
57.03438	3.3
58.00597	19.3
59.01378	4.7
61.98832	1.3
63.66252	0.9
69.03446	1.7
70.65663	2.6
71.01387	13.5
71.30762	1.0
72.99321	1.3
73.02949	100.0
74.03312	1.2
81.03466	1.0
83.05023	4.1
84.02177	6.1
85.02498	1.0
85.02953	9.1
87.04485	1.2
89.02431	1.0
95.05009	3.3
96.95995	6.3
97.02962	2.0
97.06596	7.4
107.05005	1.7
109.06590	3.0
111.08165	5.0
113.06050	1.5
113.09662	1.5
117.64307	0.8
121.06484	1.1
121.10236	1.7
125.06087	14.3
127.07618	2.7
132.41545	0.9
135.16052	1.0
138.90710	0.9
139.07675	8.8
140.91904	0.9
155.14374	7.5
163.11488	1.1
169.15930	2.7
171.10260	2.6
177.09135	1.2
192.11559	2.4
193.16034	1.4
205.12367	1.2
219.21141	1.0
220.14693	13.6
221.15445	27.3
222.15811	2.1
223.13039	0.9
235.16861	1.0
236.10542	18.0
237.10924	2.9
257.22778	5.2
263.21011	2.0
263.23782	29.6
264.24191	2.3
265.25400	15.2
266.25665	2.0
275.20309	3.7
275.23767	36.2
276.24081	3.1
279.05405	1.2
291.23355	6.6
293.14240	1.6
293.17783	9.2
293.21219	23.4
293.24832	87.0
294.18002	1.0
294.21823	2.1
294.25177	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	293.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.6
58.00599	22.7
59.01371	3.7
61.86526	1.3
69.03437	1.6
70.11158	2.6
70.11578	4.2
71.01385	17.2
73.02953	100.0
83.05061	2.4
84.02171	5.4
85.02953	7.5
87.04516	2.5
95.05025	4.2
96.96002	5.4
97.06609	9.3
98.20544	1.6
107.05015	3.8
109.06557	2.0
111.08167	4.7
121.10241	2.0
125.06071	13.9
127.07655	2.9
139.07668	11.5
141.12839	2.1
143.39478	1.5
150.34589	1.5
155.14435	7.2
169.15985	3.2
171.10225	3.9
185.11798	2.7
192.11566	2.4
193.15894	2.0
205.12399	3.1
220.14719	12.2
221.15477	28.8
236.10562	20.2
257.22739	5.5
263.23807	30.3
264.24118	1.9
265.25482	12.1
273.22238	1.8
275.20206	5.4
275.23795	36.4
276.24155	4.2
291.23276	7.9
293.14288	2.3
293.17743	10.3
293.21231	50.6
293.24857	94.0
294.21609	4.8
294.25232	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01380	1.0
61.69136	0.6
69.34199	5.2
95.05079	0.6
106.61818	0.6
157.02139	0.6
179.14481	1.6
181.12328	0.8
195.12241	1.2
195.13910	14.7
196.14549	2.1
205.12341	1.0
205.15985	0.6
211.13408	0.9
223.13373	15.4
224.13824	0.8
228.13676	1.7
231.21170	0.7
256.13120	4.9
275.20178	9.2
293.21240	100.0
294.21509	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
59.01379	5.6
63.96998	0.7
71.01388	1.2
71.05020	6.5
83.05013	0.8
94.72180	0.8
113.09718	3.1
162.59935	0.8
177.16533	0.8
191.18091	0.9
195.13881	1.2
205.15964	0.8
209.15428	2.4
220.14709	2.4
221.15475	5.7
222.15819	0.8
223.17044	5.9
229.84381	0.7
231.21124	3.5
233.15546	1.0
235.17027	37.3
236.10556	2.4
236.17378	4.0
237.18539	1.0
246.37053	0.7
249.22154	1.2
275.20145	39.0
276.20486	2.9
293.08865	11.5
293.21222	100.0
294.09058	1.6
294.21564	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32613	0.3
57.03439	1.5
59.01380	0.6
69.03468	0.4
69.34109	0.7
69.34533	1.8
71.01392	0.6
73.02943	0.3
73.07561	0.3
85.13062	0.2
96.96030	0.4
97.06595	0.8
107.70943	0.3
121.10294	0.3
123.08176	0.8
125.09721	4.5
127.07741	0.3
141.12852	1.6
149.09732	2.1
171.10208	0.3
185.11836	9.8
186.12189	0.5
193.16104	0.4
195.13809	0.4
197.11816	2.2
209.11938	0.4
220.14728	1.3
221.15450	1.4
236.10632	1.3
249.22206	0.7
275.20218	0.6
293.21228	100.0
294.21564	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	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.11407	0.3
57.03444	0.9
59.01380	0.9
61.98800	0.6
68.64501	0.3
69.03446	0.9
71.01381	1.3
71.62536	0.4
71.62959	0.6
72.99309	0.5
73.02953	1.8
83.05049	0.4
84.02184	0.5
85.02918	0.6
85.06599	0.5
89.02433	0.5
95.04990	0.7
96.96008	2.3
97.06591	0.5
111.08182	0.5
113.09722	1.4
121.10242	1.1
125.09779	0.7
136.08960	0.7
139.11296	3.4
153.12863	1.6
167.14482	0.6
171.10252	1.7
177.09180	0.7
191.18066	3.1
192.11525	1.0
193.15918	1.1
195.13893	0.5
205.12442	0.8
220.14699	5.7
221.15471	12.0
222.15953	0.5
223.13481	0.5
224.14108	0.6
235.17081	0.8
236.10526	9.6
237.10905	0.5
245.19090	0.7
247.20737	2.3
249.18562	0.4
249.22075	0.8
263.23828	0.5
275.20151	2.6
275.23587	0.5
279.05496	0.4
293.21231	100.0
294.18155	0.5
294.21555	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96387	0.7
69.96794	0.8
71.01383	7.7
79.81235	0.3
122.94395	0.3
125.98527	0.3
127.07674	1.4
148.05339	1.4
151.07666	0.7
151.69853	0.3
164.08435	1.8
177.09204	5.0
178.09518	0.4
191.10721	0.4
192.11546	6.6
193.12000	0.8
195.13925	0.9
205.12329	8.3
206.12721	0.9
207.13843	1.3
217.08780	0.3
218.09457	2.7
220.14677	49.7
221.15448	100.0
222.15804	7.0
223.13417	0.8
231.17572	0.3
235.13283	1.4
236.10530	71.0
237.10887	5.0
249.18547	0.5
275.20090	0.7
293.14285	0.3
293.17609	9.4
293.21228	9.8
294.17877	1.1
294.21420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.8
59.01382	26.9
61.25085	0.8
61.98821	2.5
69.47628	4.8
69.48050	2.4
71.01394	4.7
83.01436	1.0
83.05031	1.9
96.96009	2.6
97.02927	0.9
113.02436	1.4
127.07694	1.1
136.08949	3.2
137.02461	1.0
151.11308	2.6
156.80928	0.9
159.17761	0.8
162.29973	1.0
169.12341	3.0
177.09169	2.5
192.11563	4.2
193.15921	7.1
197.11844	34.4
198.12279	1.1
205.12392	2.2
218.09389	1.4
220.14682	23.5
221.15460	46.6
222.15839	3.5
222.18700	1.7
222.23994	1.0
225.40875	0.8
231.21098	2.1
233.11864	1.1
233.15512	4.6
236.10530	28.8
237.10950	2.2
249.11336	1.7
249.18579	3.4
250.21706	1.4
275.20175	21.4
276.20551	1.6
279.05341	1.9
293.10284	4.3
293.14050	4.1
293.17654	19.6
293.21210	100.0
294.04080	1.7
294.07642	2.4
294.18082	2.0
294.21494	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	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01390	1.9
70.82832	3.1
114.65302	1.1
121.10241	45.8
122.10546	2.0
122.26903	1.1
125.09728	2.5
126.86816	1.1
171.10278	74.1
172.10588	2.2
177.16612	1.4
185.11789	4.5
200.72141	1.2
231.21199	3.9
275.20151	100.0
276.20428	9.6
293.17892	2.9
293.21237	60.4
294.21600	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15554	0.6
55.01851	0.9
55.91772	0.5
58.00585	2.5
59.01379	41.6
60.36098	0.5
69.03455	0.6
70.33911	0.8
71.01385	19.2
72.99313	1.9
73.02942	2.0
79.68410	0.5
83.01395	1.5
85.02953	5.9
85.06586	15.4
86.00112	0.8
87.00867	1.6
89.02444	21.7
95.01381	1.3
99.00866	1.0
99.50466	0.6
101.02440	17.1
113.02441	9.1
113.06074	3.8
115.07654	2.3
119.03502	9.5
123.75056	0.5
127.07644	2.2
131.07137	66.5
132.07477	2.4
138.15591	0.6
143.03484	0.9
161.04617	0.7
170.65073	0.5
173.08199	2.0
179.05605	1.1
179.74623	0.6
213.00006	0.6
293.12415	100.0
294.12759	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1397
Annotation	Oidiolactone E
Peak:m/z	Relative Intensity
53.45083	0.7
57.03446	1.9
59.01089	1.6
59.01379	23.7
60.99310	4.0
69.03452	2.0
69.33437	0.9
70.05604	3.7
73.02957	1.0
83.01412	1.0
83.05029	29.3
83.05528	1.8
83.49137	0.7
85.02943	2.3
87.00910	1.0
97.06571	2.2
99.04532	2.5
111.04519	0.9
119.08594	0.8
121.02956	1.6
123.04561	0.9
123.08150	1.5
124.01669	1.0
135.08179	1.3
137.02379	0.9
159.11790	1.2
163.07642	2.7
163.11292	1.2
171.11777	2.9
177.13000	0.9
185.13368	0.9
187.14905	3.4
203.14436	2.5
205.12373	1.4
205.15961	2.9
206.46233	0.8
214.05081	1.6
221.15474	27.4
222.15762	2.5
231.13895	35.4
232.14203	3.2
233.11832	21.2
234.12251	1.6
244.60016	1.0
249.14955	12.1
249.17613	1.0
249.18585	1.4
250.15276	1.3
275.12912	8.2
276.83633	0.9
293.13977	100.0
293.17554	6.1
293.21127	2.4
294.04150	1.5
294.14297	8.1
294.17538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1396
Annotation	Oidiolactone E
Peak:m/z	Relative Intensity
53.02460	0.9
56.56233	1.0
57.03452	4.1
59.01378	11.4
60.99305	3.6
69.03467	2.4
69.95422	3.2
69.95829	1.7
83.01388	5.6
83.05027	16.6
85.02954	1.5
85.11954	0.9
97.06590	1.7
98.19920	1.4
99.04508	1.5
111.04523	1.6
111.08217	1.0
119.08669	1.8
123.04472	1.1
123.08072	0.9
157.25372	1.1
165.05560	1.2
203.14389	3.5
205.12303	2.3
205.15935	2.9
221.15463	80.0
222.15848	5.5
231.13885	16.3
232.14453	1.1
233.11815	19.8
234.12111	1.3
249.14966	16.5
275.12823	4.6
277.81882	1.0
293.13977	100.0
294.14236	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	293.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.0
59.01385	7.1
62.81894	0.9
66.23868	1.2
69.03462	43.7
69.34101	3.1
69.34521	6.3
70.03824	1.1
71.01394	5.7
71.05046	1.2
73.02956	4.0
73.80563	1.0
81.03436	1.3
83.05032	22.6
84.05374	1.4
85.02943	11.5
85.06607	1.2
89.02475	6.2
89.02936	0.9
95.05029	6.6
97.02962	100.0
97.06586	2.5
98.03295	2.1
99.04525	4.4
101.02431	3.3
107.05056	2.0
109.06608	3.4
111.04542	1.6
113.02451	2.5
113.06107	6.8
119.05053	1.0
120.05833	1.2
121.02953	2.1
121.06596	5.9
121.66804	1.1
123.04539	2.2
123.08175	17.4
125.02459	55.1
125.06079	10.7
126.02768	1.8
127.04028	14.0
135.04533	3.2
135.08171	4.3
137.02472	6.2
137.06085	4.6
139.04018	2.9
147.08133	1.8
148.13284	1.0
148.53055	1.1
149.09801	5.2
151.04086	1.1
151.07669	8.4
155.07149	3.9
155.21843	1.1
161.06097	1.7
161.09714	2.3
163.07663	1.7
163.11313	2.0
165.05551	2.3
167.07176	1.4
173.87064	1.1
175.07632	1.7
177.12917	2.7
179.10721	1.3
181.08646	1.1
185.09842	1.1
187.11324	5.8
189.09207	1.9
195.06645	10.4
203.10744	2.3
205.12360	11.0
231.08093	1.1
231.10298	4.0
231.17558	1.1
249.11334	1.9
249.14995	1.8
275.19858	1.2
293.10312	24.3
293.13940	5.6
293.17599	11.3
293.21072	2.1
294.04037	1.6
294.07623	2.1
294.10583	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.50331	1.6
57.03456	2.6
58.00605	2.7
59.01381	27.5
63.99836	2.0
64.08617	1.6
66.71264	1.5
69.03464	7.4
71.01385	31.1
72.99320	4.3
73.02959	5.3
81.03471	16.2
83.01417	3.6
83.05064	2.8
84.02157	2.2
85.02956	7.8
87.00901	1.8
89.02451	32.5
95.01419	1.8
95.05047	3.8
96.96029	2.5
97.02952	17.2
98.19817	4.0
99.00903	3.7
99.04534	4.4
101.02443	6.7
102.34174	1.5
106.09399	1.6
108.02185	45.7
109.02979	12.2
111.04544	4.7
113.02454	5.1
121.06580	11.4
123.08167	20.1
125.02447	22.9
125.06107	1.7
131.03563	2.0
133.06636	1.9
135.08104	2.8
143.03535	5.5
145.06667	2.1
147.08167	3.8
151.07643	3.0
154.03659	1.7
157.06619	3.1
159.08163	2.9
160.05359	2.3
161.06070	3.7
161.09769	5.2
169.10243	4.1
170.07434	3.3
171.08144	5.7
172.08948	4.2
173.06021	6.1
175.07655	7.6
175.11304	4.0
177.12802	2.4
185.09729	14.8
187.07678	8.5
187.11275	41.6
188.04820	2.7
188.08310	2.3
188.11568	2.7
189.09172	4.7
201.05539	6.6
201.09283	4.2
203.07138	5.9
203.10783	37.7
204.10973	2.7
205.12363	6.0
213.09195	10.4
215.07126	3.6
216.07904	45.1
217.08208	2.6
231.10268	100.0
232.10603	6.9
233.06525	3.8
249.11311	3.5
275.09573	2.3
293.07098	1.9
293.10312	28.2
293.13864	4.4
294.07715	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	293.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03440	3.6
59.01385	21.5
64.34342	1.2
67.01859	1.4
69.03465	7.3
71.01389	26.7
71.62959	1.3
73.02943	5.0
81.03463	13.8
83.01380	1.8
83.05031	2.1
83.84179	1.2
84.02139	2.0
85.02959	6.8
89.02454	23.3
95.05021	2.3
96.66667	1.3
97.02962	13.5
99.00887	1.8
99.04522	4.3
101.02441	4.4
104.06773	1.3
107.05021	2.4
108.02183	38.2
109.02988	10.5
109.06592	2.0
111.00893	1.6
111.04534	3.9
113.02429	4.4
115.03977	1.7
119.08707	1.8
121.06618	11.9
123.04488	1.3
123.08190	16.2
124.08417	1.3
125.02456	19.1
131.03479	2.1
133.06578	1.7
135.08167	2.6
137.06047	2.1
139.03975	1.6
139.73334	1.4
140.01100	1.4
143.03470	4.0
143.08678	1.3
145.06615	1.8
146.07423	2.0
147.08127	4.6
149.06076	2.1
151.07640	2.9
157.06551	3.2
159.11755	2.6
161.06053	4.1
161.09709	7.2
168.22670	1.2
169.10202	4.7
170.07332	4.0
171.08162	5.4
172.08885	4.3
173.06046	4.9
175.07657	5.6
175.11259	3.4
177.12807	1.9
177.73932	1.3
185.09703	13.6
186.10049	2.1
187.07648	6.7
187.11284	38.3
188.04869	1.8
188.11725	1.6
189.09180	4.8
201.05592	10.5
201.09258	2.2
203.07106	3.7
203.10782	32.2
205.12415	6.6
213.09235	8.0
215.07147	4.2
216.07927	42.4
217.08328	2.9
231.10265	100.0
232.10701	7.1
233.06596	1.5
249.11269	4.4
293.10287	22.3
293.13940	5.5
293.17258	1.3
294.07663	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	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
58.02975	1.1
59.01380	1.9
60.97814	0.4
61.98833	0.5
62.02567	0.4
66.97060	0.3
69.54619	1.0
69.55035	1.8
71.01376	1.0
86.32821	0.4
98.19927	0.8
102.54806	0.4
113.09740	0.5
156.13937	100.0
157.14281	4.5
185.11855	1.0
192.11540	0.4
200.12907	6.5
201.13194	0.4
205.12297	0.9
220.14676	5.6
221.15456	11.2
236.10522	8.4
248.21013	0.6
249.18770	0.4
249.22168	0.6
275.20224	0.8
292.02536	0.4
292.12781	1.1
292.16290	0.7
292.19916	6.6
293.10422	0.6
293.14285	0.9
293.17758	2.0
293.21194	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	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04688	0.4
57.03450	0.6
58.02969	0.8
59.01383	1.4
70.08887	1.6
71.01379	1.7
83.30148	0.4
90.48833	0.4
97.06626	0.4
98.20544	0.5
121.10203	0.6
137.06244	0.4
139.00449	0.4
156.13936	100.0
157.14287	3.9
158.47345	0.5
171.10292	0.9
177.09222	0.6
192.11586	0.5
193.84975	0.5
195.13911	0.7
200.12917	6.0
205.12404	0.9
206.45865	0.4
220.14687	6.2
221.15480	10.9
223.13432	0.6
235.17053	0.5
236.10521	8.9
275.20178	1.4
292.12714	0.8
292.16473	0.5
292.19882	2.6
293.10397	0.8
293.14105	1.1
293.17648	3.1
293.21225	5.8
293.24463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01883	5.1
57.03450	5.3
58.00598	3.0
59.01385	100.0
62.68924	1.9
69.03474	2.0
71.01392	89.1
72.99313	4.0
73.02956	45.1
83.01402	6.2
85.02956	28.4
87.00893	4.0
89.02455	52.2
95.01413	6.0
99.00908	6.9
101.02451	48.2
101.03078	3.1
103.04035	9.3
113.02459	28.3
119.03508	13.6
125.06120	4.6
127.07721	1.9
131.03510	54.0
132.06725	2.5
143.03543	4.6
145.03290	2.9
161.04559	13.9
164.38486	2.1
171.06708	3.6
205.05424	9.9
293.08908	77.8
293.12296	6.4
294.09171	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1033
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
50.30963	0.5
57.03428	0.7
59.01354	1.5
65.98798	0.5
71.01366	1.3
96.95961	0.7
97.02950	0.6
98.06540	0.5
101.13029	0.5
107.38970	0.5
146.06206	0.5
147.08144	0.9
159.00647	0.4
161.10016	1.5
161.13329	1.2
172.08904	0.5
177.12967	0.5
187.11295	3.1
191.07089	0.6
200.09503	0.5
203.10699	0.7
205.12325	100.0
206.11086	0.6
206.12689	5.5
231.10216	2.3
249.11310	8.9
250.11603	0.7
279.05148	0.6
283.07761	0.5
293.10336	31.4
294.07751	1.2
294.10724	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	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03453	1.0
58.66925	0.4
59.01385	23.5
67.42251	0.4
69.03450	3.4
70.03525	2.4
83.05037	1.4
97.06606	2.6
98.19842	0.5
125.06094	0.8
139.32559	0.4
141.09222	0.5
148.08937	1.6
150.10512	0.8
151.11322	0.7
163.11305	1.3
165.12852	20.3
166.13188	1.1
177.12891	0.7
178.12360	1.1
187.14906	1.7
191.14510	0.9
205.16051	0.6
217.15976	0.6
229.12358	0.5
231.13907	21.1
232.14236	1.8
247.20694	10.0
248.21130	0.8
249.15001	8.0
273.18594	5.1
291.16113	20.0
291.19675	100.0
292.16446	1.4
292.19983	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	291.233
Annotation	16beta-Hydroxysteroid
Peak:m/z	Relative Intensity
57.03450	3.3
58.00592	8.1
59.01376	8.3
61.98841	1.2
69.03457	3.1
69.30865	10.8
71.01381	2.7
71.05013	1.2
73.02534	1.4
73.02950	28.9
81.03448	1.2
83.05037	2.8
84.02174	6.3
85.02948	1.9
85.06617	1.3
95.05035	4.2
97.06596	3.4
99.04522	1.3
99.08150	1.2
107.05116	1.1
109.06587	1.8
111.08158	14.2
113.09702	1.7
125.06094	3.5
127.07681	1.9
133.59694	1.0
137.06085	1.0
137.09731	2.1
139.07640	4.8
141.09242	1.2
152.88570	0.9
153.12894	1.3
155.14413	2.0
167.10748	2.7
177.12840	1.8
179.10788	1.7
183.13885	1.2
191.14421	1.1
195.13892	6.3
219.17540	1.2
231.10222	1.2
231.17525	8.8
247.20636	2.3
255.21159	3.4
261.22275	4.3
263.23755	11.6
264.23990	1.5
273.18658	6.6
273.22226	25.7
274.22571	2.3
290.21985	0.9
291.12802	5.4
291.19666	100.0
291.23279	99.8
292.20010	10.5
292.23630	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39077	0.6
57.03452	3.2
58.00594	7.7
59.01376	4.4
61.26059	0.6
69.03445	2.1
69.59579	0.5
69.59917	4.0
71.01386	3.1
71.04978	0.7
73.02948	33.1
74.03271	0.9
83.05026	2.2
84.02162	6.8
85.02942	2.6
87.04502	0.6
95.05024	2.3
97.02934	0.7
97.06605	4.5
98.19903	1.0
99.08149	0.8
101.06087	0.8
107.05011	1.9
109.06596	2.1
111.04459	0.6
111.08148	3.8
113.06056	1.3
113.09692	0.7
121.02982	0.9
121.10189	0.7
123.08181	0.7
125.06083	5.2
125.09708	1.4
127.07636	1.3
127.11283	1.3
128.18570	0.6
129.09204	0.6
135.08192	0.9
136.42397	0.6
137.09708	0.8
139.07651	5.1
139.11264	1.0
141.12834	0.8
149.09705	0.7
149.13274	0.7
153.09186	1.1
153.12846	1.7
155.14395	1.4
163.11287	0.6
163.14948	0.7
167.10780	0.9
169.15956	1.2
181.15921	1.0
203.17940	0.5
205.19659	1.4
209.04414	0.7
209.15395	1.2
231.10356	0.7
247.16846	0.6
247.20592	1.0
248.17751	0.6
255.21170	3.8
261.22205	5.3
263.23770	10.1
264.24075	1.6
271.20673	0.5
273.22217	23.7
274.22479	2.8
289.21625	0.8
290.22107	0.7
291.12781	3.3
291.19751	10.7
291.23260	100.0
292.20291	1.0
292.23611	10.5
314.16306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2332
Annotation	Androstanediol
Peak:m/z	Relative Intensity
57.03452	2.3
58.00599	9.9
59.01363	1.2
60.14769	0.9
69.03456	1.5
71.01377	2.7
73.02950	31.7
83.05029	1.7
84.02181	6.3
85.02954	3.1
86.82099	1.0
86.83912	1.0
87.04546	1.0
95.05022	2.3
97.06594	4.5
98.19810	2.1
107.04996	1.8
109.06612	1.5
111.08155	3.8
113.06155	1.3
123.08154	1.3
125.06132	5.2
125.09772	1.3
127.07686	1.0
127.11319	1.6
139.07629	5.0
141.12840	1.1
153.12901	1.6
155.14452	1.9
177.02875	0.9
181.16022	1.3
205.19609	2.1
233.60803	1.0
237.69888	0.9
242.70201	1.0
255.21184	3.4
261.22147	5.7
263.23776	11.7
273.22253	23.9
274.22577	2.1
289.21732	1.6
291.09158	2.4
291.19968	4.9
291.23297	100.0
292.23633	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1603
Annotation	4-Acetoxy-10-hydroxy-2,8-neolemnadien-5-one
Peak:m/z	Relative Intensity
57.03445	2.1
59.01382	39.0
69.03457	6.0
70.94545	1.2
71.01382	0.5
76.75233	0.4
79.40971	0.5
83.05032	3.4
97.06599	3.7
119.05100	0.5
119.08654	0.7
125.06045	0.5
135.03171	0.4
141.09224	0.4
147.32101	0.5
148.08885	1.5
150.10500	0.8
151.11293	0.7
163.11305	1.2
165.12846	18.2
166.13147	0.6
175.11255	0.7
177.12663	0.7
185.13330	0.7
187.14964	2.5
191.14426	0.8
203.14311	0.6
205.15965	1.8
217.15996	0.9
231.10178	1.0
231.13904	38.9
232.14258	3.7
245.18999	1.0
247.16882	0.8
247.20674	9.3
248.21104	0.9
249.14960	15.9
250.15268	1.3
261.22141	0.5
273.18619	5.7
273.21930	0.9
284.49289	0.5
291.16061	39.6
291.19659	100.0
292.16327	3.7
292.19971	8.5
292.23270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
54.69511	0.4
57.03463	0.6
59.01380	1.7
67.40803	0.5
73.02952	57.7
74.03304	0.5
98.20711	0.7
102.26602	0.4
112.21185	0.4
180.88348	0.4
185.11818	0.4
219.95509	0.4
291.13058	2.1
291.19684	100.0
292.20013	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
54.23807	0.5
57.03441	1.4
57.63326	0.6
65.64160	0.6
70.32143	1.2
70.32537	1.4
83.60231	0.8
93.07097	1.3
97.06592	1.7
98.19924	0.8
101.69444	0.7
105.39610	0.6
121.10240	14.4
123.08173	1.0
125.09725	8.1
126.27303	0.6
141.12836	1.2
147.08119	1.9
185.11836	16.7
186.12143	1.9
197.11911	3.6
209.11844	1.5
210.36909	0.7
211.13374	1.7
223.13441	1.4
247.20688	1.1
249.61501	0.6
273.18692	1.3
279.00873	0.6
291.19656	100.0
292.20065	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	291.1238
Annotation	Curvularin
Peak:m/z	Relative Intensity
57.03445	3.5
59.01381	17.0
60.99302	3.4
61.07473	1.3
61.78933	1.1
65.20014	1.2
65.54520	1.3
69.03467	3.0
71.01375	1.8
71.05019	2.8
71.63049	1.2
73.02970	1.5
79.05560	1.7
83.05034	2.6
85.02972	2.9
95.05016	2.3
96.96012	1.7
97.99975	1.3
99.04514	2.4
105.07110	5.7
107.05036	5.4
109.06608	1.2
111.04506	1.5
111.08150	1.6
111.45744	1.4
121.06623	2.5
135.08154	1.8
137.06081	1.3
139.07684	6.9
144.55867	1.1
149.06058	1.9
155.08696	1.4
159.11790	15.6
165.05545	4.7
175.11301	2.2
179.10788	3.5
183.11768	1.9
185.13347	14.5
186.13826	1.5
190.29199	1.3
201.12935	1.3
203.10939	1.6
203.14421	3.0
219.13861	7.0
229.12315	17.3
229.16026	2.1
231.10246	29.8
232.10768	1.8
247.09651	1.7
247.13461	6.2
247.17078	2.3
247.20685	1.8
273.11713	1.3
273.18628	2.0
283.13214	1.2
291.12430	100.0
291.15942	10.8
291.19669	20.8
291.23267	3.6
292.12802	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.9
57.03450	5.6
58.00603	4.0
59.01381	79.2
60.01707	0.8
65.37891	0.8
68.99815	0.9
69.03460	2.3
69.44114	0.7
69.50475	4.8
70.84666	0.6
70.88734	0.7
71.01385	100.0
71.33015	0.6
72.01734	1.3
72.99313	6.5
73.02947	27.3
75.00874	1.2
81.03470	1.3
83.01386	15.5
85.02953	38.3
86.03296	0.9
87.00861	5.3
89.02448	44.3
95.01400	6.3
97.02967	2.1
99.00887	11.2
99.04559	1.4
101.02448	81.8
102.02788	1.4
109.02989	1.0
111.00922	2.0
111.04501	1.0
113.02451	39.7
114.02756	1.1
115.04029	0.9
119.03506	19.3
119.04305	1.2
119.05021	2.6
120.99647	1.1
123.00913	1.8
123.04552	1.7
125.02458	4.0
129.01949	2.2
129.09216	3.4
131.03497	2.2
135.04500	1.0
137.02440	0.7
143.03500	3.8
154.11612	0.6
159.02994	9.0
161.04564	37.8
162.04893	1.1
175.03998	1.5
179.05629	1.0
203.03528	0.7
205.03453	1.7
229.05055	1.0
233.06853	0.8
247.06351	0.9
247.08911	1.4
291.05157	1.6
291.07852	2.7
291.14661	18.6
292.14969	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	291.124
Annotation	Curvularin
Peak:m/z	Relative Intensity
50.21647	0.7
52.81069	0.8
57.03447	1.5
59.01382	16.2
60.99318	6.1
69.03448	1.3
71.40028	1.6
71.40353	0.8
73.02943	1.2
75.84665	0.7
79.05556	1.3
83.05015	1.9
83.33308	0.7
85.02949	3.5
87.04556	1.1
98.03747	1.4
99.04543	1.8
107.05036	2.4
111.04524	0.8
119.08655	1.7
121.79209	0.8
131.08691	1.5
133.06680	1.0
133.10251	2.9
135.08157	2.3
139.07675	8.0
147.08151	3.0
149.09732	1.4
151.07594	1.2
157.10226	1.6
159.11829	5.2
161.56976	0.9
173.09744	0.9
175.11299	0.9
183.11827	1.5
185.13364	25.8
186.13692	2.2
187.11465	0.9
201.12859	1.7
203.10789	3.2
203.14378	2.6
211.03632	8.2
211.11391	1.2
219.13905	3.4
229.12347	44.7
230.12727	4.2
231.10275	42.1
232.10643	3.4
247.13394	29.1
248.13718	2.4
273.11362	4.5
291.12411	100.0
292.12723	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	291.124
Annotation	Curvularin
Peak:m/z	Relative Intensity
57.03437	2.2
59.01384	18.1
60.99310	5.8
69.03453	2.1
69.31915	2.3
69.32346	2.5
71.01405	0.6
71.05015	1.1
77.77700	0.5
79.05521	1.6
80.02654	0.5
83.05011	1.8
85.02946	1.0
97.02957	0.9
97.06570	0.7
105.07084	1.0
107.05015	2.2
108.02122	0.7
111.04498	0.9
119.08685	1.3
121.06585	1.1
123.08124	0.6
124.01662	2.0
131.08627	2.6
133.06615	1.0
133.10214	1.5
135.08150	1.3
139.07620	1.7
149.06059	0.8
149.09723	1.1
157.10320	2.9
159.11787	6.1
160.04198	0.5
164.82133	0.5
165.05553	0.9
173.09674	0.6
174.40706	0.5
183.11794	1.1
185.13367	8.5
186.13705	1.2
187.11401	0.7
201.09232	3.1
201.12885	0.9
203.10732	5.2
203.14410	5.2
204.14783	0.6
211.11313	1.2
217.66978	0.5
219.13861	4.1
229.12338	24.7
230.12674	2.0
231.10255	77.2
232.10593	5.7
247.13388	11.1
247.17159	0.9
248.13643	0.7
273.11392	2.6
289.86273	0.6
291.12402	100.0
291.19098	4.7
292.12711	8.9
292.19797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1243
Annotation	Curvularin
Peak:m/z	Relative Intensity
57.03452	22.0
59.01387	11.7
60.99317	5.0
67.01907	0.7
69.03462	5.3
71.11845	0.9
71.12161	1.0
73.02946	0.9
76.10772	0.6
78.74083	0.7
83.01385	1.1
83.05040	2.7
85.02959	3.8
85.06592	1.7
87.00874	1.8
92.97525	0.6
95.05045	3.9
96.96016	0.7
97.02982	0.9
97.06612	3.9
99.04476	0.8
105.07130	3.0
107.05036	2.2
109.06621	0.7
111.04533	1.6
113.96503	0.7
116.70118	0.8
123.08172	1.5
133.06599	4.5
135.08229	0.8
139.04042	1.4
139.07652	9.6
143.08650	0.9
147.08212	1.6
155.08641	1.4
159.11827	6.6
163.11371	0.6
163.50562	0.6
169.10280	2.8
175.11308	2.9
177.12904	0.7
183.11790	1.0
185.13374	30.0
186.13741	1.9
189.09319	0.6
191.14461	0.8
199.11346	1.7
200.12007	1.0
201.12869	2.7
203.10837	1.4
203.14471	2.9
219.13905	33.1
220.14261	2.2
229.12363	30.5
230.12756	2.1
231.10292	12.0
247.13419	19.2
248.13730	1.7
273.11331	13.4
274.11633	0.9
291.12448	100.0
291.15924	10.1
291.19650	10.1
292.12741	8.2
292.16025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1239
Annotation	Curvularin
Peak:m/z	Relative Intensity
57.03450	73.3
58.03779	1.6
59.01381	4.3
60.99298	2.7
68.99816	2.6
69.03452	6.3
71.62829	1.4
83.05023	1.4
83.25765	0.7
85.02935	3.4
85.06594	4.9
95.05022	4.5
97.02966	2.8
97.06597	2.6
104.91219	0.9
105.07091	4.0
109.06554	1.0
113.06079	2.8
121.02931	2.4
123.08167	1.6
133.06606	15.3
139.03983	5.2
147.08147	2.5
149.06087	0.9
149.09731	1.6
174.68898	0.7
175.11203	0.8
185.13330	5.2
201.12851	2.6
203.10757	2.2
203.14447	2.0
219.13898	81.8
220.14238	7.1
229.12338	14.1
230.12717	1.8
231.10258	3.5
247.13402	22.9
248.13708	1.7
273.11304	4.1
289.21832	0.7
291.12402	100.0
291.15823	4.7
291.19562	3.4
292.12723	9.7
292.15802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1447
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
55.36165	2.0
57.03448	40.1
59.01372	7.2
64.44221	2.1
67.05114	2.1
69.03463	2.6
71.05026	5.8
71.64220	3.4
79.05535	16.4
83.05024	44.9
84.89871	2.1
85.02957	13.0
85.06561	2.3
94.37591	2.1
95.05031	13.5
97.02927	2.3
97.06583	3.7
107.05022	19.8
108.02117	2.5
109.02933	4.1
109.06622	4.7
119.05032	2.0
119.08665	29.6
120.22029	2.2
120.48327	2.1
121.06630	6.2
123.08113	4.7
125.02417	3.5
125.09794	3.6
131.08656	23.1
133.06633	2.8
135.08160	7.1
136.01584	3.9
137.09715	19.1
147.08170	7.7
149.09747	23.9
150.10077	2.5
157.10205	4.4
159.08154	3.1
161.09721	3.2
169.09955	2.1
175.11304	13.4
177.12849	9.7
182.92531	2.0
185.13351	10.8
187.11284	9.6
191.32243	2.0
199.11230	2.7
200.55922	2.5
203.07069	2.8
203.14404	4.7
205.15895	4.6
217.15952	5.5
219.14030	3.2
219.17513	25.6
227.14401	32.0
229.15878	5.6
239.92905	2.4
245.15477	60.6
245.19075	10.5
246.15816	5.4
254.41032	2.1
271.13544	11.5
271.17084	6.3
271.20682	16.6
273.18692	4.8
289.07169	9.4
289.14456	58.8
289.18134	50.4
289.21716	100.0
290.14624	7.8
290.18323	4.7
290.22147	6.7
299.72000	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	289.0716
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03448	4.5
65.62507	0.5
69.03452	1.8
69.65237	1.0
69.65642	2.0
80.02660	0.7
81.03453	5.3
83.01379	4.8
93.03459	3.1
95.01385	1.2
95.05025	5.0
97.02953	11.5
98.19849	0.8
99.04491	0.6
105.03469	1.0
107.05034	0.7
108.02177	2.2
109.02959	42.1
110.03336	0.6
111.04493	0.7
115.05464	0.6
121.02963	4.8
122.03728	1.9
123.04528	30.6
124.01707	0.5
124.04898	0.9
125.02451	21.9
133.02940	0.8
135.04524	3.4
137.02451	14.1
138.03191	1.7
139.03998	5.3
145.02945	1.9
146.03676	2.3
147.04495	1.1
149.02457	5.6
149.06038	0.5
150.03186	1.8
151.04005	11.2
157.06573	1.0
159.04503	5.1
160.05273	2.7
161.02409	1.6
161.06082	6.6
162.03185	1.9
163.04051	1.4
164.01170	5.0
165.01949	5.0
166.02725	1.1
167.03488	2.4
173.06120	1.8
174.03236	0.9
175.04010	2.2
175.07651	2.5
177.05554	1.4
179.03490	9.7
185.06075	1.5
187.04012	5.6
188.04790	4.9
199.07768	1.0
201.05566	1.4
202.06357	2.4
203.03914	0.5
203.07137	14.9
204.07449	0.7
205.05052	12.1
212.04768	0.9
217.08644	0.8
221.08202	4.7
227.07121	2.3
231.02992	1.0
245.08180	33.1
246.08492	1.1
247.05983	0.9
271.06058	1.0
289.07178	100.0
290.07556	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
56.49199	0.8
57.03447	5.3
63.16394	0.8
69.03475	1.1
69.85587	1.0
69.85914	4.0
77.78548	0.7
80.02673	1.1
81.03443	4.6
83.01393	4.0
93.03451	3.2
95.01406	2.2
95.05034	8.0
97.02953	11.3
98.20580	1.1
99.04540	1.0
103.88646	0.9
108.02168	2.1
109.02953	49.2
110.03273	1.6
115.99425	0.8
117.03446	1.2
121.02947	4.4
122.03717	2.5
123.04527	37.3
124.04899	1.0
125.02446	26.3
133.42383	0.7
134.72530	0.7
135.04514	3.1
137.02451	19.1
139.04008	6.4
145.02939	2.5
146.03772	2.0
147.04478	1.5
149.02406	6.4
150.03163	2.1
151.04021	15.6
152.88028	0.9
159.04533	4.4
160.05240	3.3
161.02457	2.3
161.06076	7.9
162.03181	2.7
163.04018	1.6
164.01147	5.1
165.01920	6.2
166.02563	0.9
167.03510	3.0
173.06030	1.7
174.03171	1.2
175.03993	3.7
175.07645	3.3
177.05536	1.5
179.03496	9.6
185.06079	1.0
187.04030	7.9
188.04781	5.6
199.07652	1.0
201.05545	1.9
202.06339	3.6
203.07127	22.7
205.05066	13.3
217.04842	1.0
217.08592	1.7
221.08160	6.3
227.07156	2.8
230.05954	1.1
245.08180	36.2
246.08441	2.2
247.06035	2.0
271.06064	1.4
289.07178	100.0
290.07422	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.7
68.99812	0.7
69.03452	0.8
69.42499	4.3
79.08645	0.5
81.03460	2.2
83.01408	3.4
84.34394	0.6
93.03462	1.7
95.01414	0.7
95.05032	3.7
97.02954	5.7
98.51360	0.5
101.35912	0.6
102.71990	0.6
108.02184	0.7
109.02953	25.3
110.03277	0.9
121.02975	3.4
122.03752	0.8
123.04526	14.7
125.02452	16.2
126.02840	0.8
135.04526	2.1
136.17688	0.7
137.02443	7.9
139.03992	3.3
142.83501	0.6
145.02950	0.9
146.03712	0.8
147.04535	0.9
149.02461	4.0
150.03203	0.8
151.04012	8.4
152.04327	0.7
159.04497	2.6
160.05260	1.4
161.02348	1.2
161.06070	4.2
162.03242	1.1
163.03978	1.4
164.01141	3.1
165.01923	3.5
167.03464	1.6
173.06001	1.1
174.03148	0.7
175.03978	2.6
175.07677	2.2
179.03484	8.7
185.06050	1.1
187.03954	4.1
188.04784	3.3
199.07487	0.8
201.05574	1.0
202.06339	2.0
203.07149	11.4
204.07382	0.8
205.05054	10.2
221.08092	2.9
227.07199	2.1
245.08170	31.7
246.08563	1.9
247.06096	1.6
271.06085	0.9
289.07181	100.0
290.07626	4.2
306.84991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.16835	0.3
52.59601	0.3
57.03438	0.6
59.01376	1.0
61.41573	0.3
64.11933	0.3
69.18790	0.3
70.74326	1.0
81.03488	0.3
94.58424	0.3
96.71568	0.4
97.06592	1.5
99.08152	1.6
111.08097	0.5
121.06587	0.4
124.01582	0.3
125.02446	0.7
125.09702	0.4
129.09256	0.4
141.12846	2.2
155.14413	0.5
173.11876	1.7
178.40829	0.3
189.61140	0.4
211.13400	0.4
219.13889	1.2
237.14908	0.6
241.21802	1.2
269.21207	2.7
285.20706	1.3
287.18860	8.1
287.22284	100.0
288.05301	0.9
288.19354	0.8
288.22632	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.79650	0.3
55.83109	0.3
57.03438	0.4
58.02955	0.5
59.01384	2.5
62.72880	0.4
64.42080	0.3
65.03974	0.5
69.83567	0.3
71.01361	0.4
71.63917	0.5
76.25420	0.3
81.03479	2.2
92.05054	1.2
93.03458	2.0
99.92628	0.5
107.03796	0.7
108.02150	0.7
108.04553	5.4
109.02955	5.8
111.71212	0.3
121.02958	0.7
123.04497	0.3
125.02437	0.5
128.78111	0.3
134.02480	35.3
135.03299	8.9
136.04044	41.7
137.02429	1.5
137.04379	1.4
139.28554	0.4
148.04060	0.8
149.04788	1.0
163.02654	0.4
176.03522	5.0
177.04234	0.9
177.73259	0.4
182.07660	0.3
190.05016	0.6
230.67477	0.4
245.19156	0.7
245.94031	0.4
262.38211	0.4
288.16052	100.0
288.18768	4.6
289.07220	0.7
289.16281	7.7
289.21780	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	287.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92020	0.3
57.03448	1.4
57.51680	0.3
58.00581	0.9
59.01382	0.4
67.76691	0.3
69.03460	0.6
71.01385	0.7
71.05020	1.2
72.02161	0.5
73.02946	6.3
81.03463	5.5
83.05024	0.8
84.02178	0.4
97.02933	0.3
97.06605	0.8
98.20652	0.6
99.04522	12.4
108.24532	0.3
109.06588	0.6
111.08143	0.5
113.09769	0.5
119.08675	0.3
121.06592	0.9
123.08158	1.3
125.02435	1.6
127.07631	0.5
133.06572	0.4
133.10204	0.5
135.08144	0.5
137.02437	0.4
137.09702	0.6
139.07726	0.4
139.11284	1.1
149.09731	0.4
151.11276	0.6
153.09224	1.7
155.10802	0.4
161.02472	0.4
167.10735	0.7
169.12320	0.4
175.11368	0.3
177.12828	1.0
179.10777	0.8
185.00937	0.4
189.12857	0.4
193.12355	0.5
195.13911	4.3
196.10985	0.4
197.11783	1.0
197.32455	0.3
201.05717	0.4
203.14497	0.5
205.12408	0.5
207.13814	0.5
211.13396	1.2
213.14955	7.4
214.15419	0.4
217.12285	0.3
221.15424	0.7
223.16942	0.5
233.15492	0.9
235.13367	1.5
237.15120	0.4
239.16492	0.4
247.08496	0.3
249.14978	1.5
251.16542	5.3
253.14456	1.4
259.06232	0.4
267.16000	2.4
269.17609	3.7
270.17947	0.4
285.17203	0.5
287.18628	100.0
288.18961	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	287.1866
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
54.17163	0.3
57.03444	2.0
58.00576	0.8
59.01381	0.6
59.19688	0.3
64.88273	0.3
69.03457	0.7
69.75163	1.9
71.01375	1.1
71.05005	1.4
72.02169	0.6
73.02946	5.5
81.03457	4.7
83.05022	0.7
84.02177	0.4
97.06583	0.9
98.03696	0.4
99.04520	10.6
100.04872	0.4
101.06075	0.3
109.02906	0.3
109.06557	0.6
111.08144	0.5
111.31438	0.3
112.76987	0.3
113.09696	0.4
121.06607	0.7
123.08159	1.5
125.01783	0.3
125.02471	3.2
127.07673	0.4
133.10184	0.5
135.08119	0.6
137.09726	0.6
139.07683	0.5
139.11253	1.1
149.02411	0.3
149.09682	0.5
151.11273	0.6
152.01659	0.3
153.09193	1.2
155.10759	0.4
167.10776	1.0
169.12360	0.5
177.12798	0.9
179.10757	0.7
193.12326	0.4
195.13924	4.9
197.11838	0.8
205.12311	0.4
211.13336	0.9
213.14964	7.6
214.15315	0.4
217.12225	0.4
219.13989	0.3
221.15460	0.8
225.14848	0.4
233.15453	1.2
235.13330	1.7
236.77483	0.3
237.15010	0.5
241.18071	0.3
249.14963	1.5
251.16487	5.3
253.14467	1.3
259.06262	0.4
267.15900	1.9
269.17612	3.0
287.05725	1.0
287.18628	100.0
288.18967	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	287.1865
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
57.03441	1.0
58.00591	1.6
69.57211	1.3
69.57621	0.7
70.25866	0.3
70.55695	0.3
71.01387	0.8
71.05016	1.3
72.02163	0.6
73.02948	7.5
80.96509	0.7
81.03458	5.7
83.05022	0.5
83.36114	0.3
84.02150	0.5
97.06590	0.5
99.04518	12.5
100.04854	0.3
107.05004	0.3
109.03008	0.3
109.06585	0.4
111.08115	0.5
119.08736	0.4
121.02939	0.3
121.06592	0.6
123.08162	1.1
125.02415	1.7
127.07601	0.4
135.08141	0.5
137.02417	0.6
137.09683	0.4
137.99564	0.3
139.11273	0.6
149.09714	0.4
151.11208	0.3
153.09200	2.6
161.02380	0.3
161.09605	0.3
163.25214	0.3
167.10695	0.5
169.12328	0.4
175.03954	0.5
177.12834	1.0
179.10797	0.5
179.14388	0.3
181.12315	0.3
183.32938	0.3
187.68211	0.4
193.12369	0.4
195.13892	5.5
196.14270	0.4
197.11798	1.0
203.14336	0.5
205.12292	0.3
207.14000	0.4
211.13394	0.5
213.14952	8.5
214.15280	0.7
217.12306	0.4
221.15587	0.4
225.14970	0.4
231.13902	0.3
233.15437	0.6
235.13417	2.5
237.14888	0.6
249.14975	1.2
251.16504	3.6
253.14507	2.5
259.06079	0.7
267.15964	1.8
269.17535	2.5
270.17874	0.4
287.05637	0.9
287.18631	100.0
288.18979	7.4
288.22214	0.4
292.17007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.2
59.01379	100.0
62.96411	2.8
69.40697	16.9
71.82028	2.1
73.02955	4.3
78.95908	3.0
88.48458	2.3
125.02435	15.1
131.99574	2.1
149.74104	1.9
173.00713	2.2
183.85890	2.1
232.77271	2.1
241.19133	2.0
243.07935	3.2
285.36218	2.1
287.05624	3.8
287.10385	6.7
287.14920	6.6
287.18658	19.6
289.53717	2.6
305.86371	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	287.1404
Annotation	Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate
Peak:m/z	Relative Intensity
55.36743	0.5
57.03450	0.7
57.94128	0.5
59.01376	6.2
59.55588	0.4
66.95396	0.5
69.57212	2.6
69.57619	1.0
70.48096	0.4
71.01375	1.0
73.02956	1.7
80.32393	0.5
83.05054	1.2
85.02968	0.6
85.06574	0.5
87.00889	0.5
94.03027	0.6
95.03767	1.0
95.04987	0.4
107.10432	0.5
108.04546	0.6
120.04570	1.5
121.05347	1.1
122.06129	3.4
123.03256	0.6
124.04031	0.8
124.07693	2.8
125.02430	2.3
134.06140	1.6
135.04514	1.4
135.06897	1.7
136.04070	1.9
136.07680	1.0
137.04836	1.4
138.05617	2.7
144.04533	1.4
145.05348	8.8
146.06131	4.8
147.03275	2.5
147.31578	0.4
148.04126	2.4
149.04796	3.9
149.76070	0.5
150.05611	1.8
151.00372	1.4
159.03297	1.1
160.03996	0.5
162.05659	3.3
163.06398	16.4
164.03534	3.4
164.04726	0.5
164.07167	8.3
165.04221	0.7
166.05098	8.6
167.05844	2.0
167.89793	0.5
167.91209	0.5
176.03532	1.6
177.04315	9.6
178.05101	1.1
183.46965	0.5
191.31207	0.5
192.03049	1.3
193.12326	1.8
194.04602	13.4
195.05376	33.2
195.13910	0.5
196.06053	3.3
208.06174	1.0
209.03307	2.1
213.14917	1.0
214.94734	0.5
215.07175	0.5
219.13931	0.6
221.15375	0.6
233.15405	0.7
237.15102	0.7
243.06909	0.5
243.10085	0.5
243.13853	0.8
243.16103	0.6
249.15056	0.7
251.16508	1.0
258.03827	0.7
269.12885	4.1
269.17545	0.9
287.04770	4.4
287.14035	100.0
287.18649	28.0
288.14346	7.7
288.18881	2.3
305.07709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1865
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
50.54553	0.3
57.03448	1.3
58.00589	0.9
59.01376	1.1
69.03451	0.6
71.01371	1.0
71.05013	1.3
71.61390	0.5
72.02171	0.6
73.02948	11.0
81.03458	5.8
83.01393	0.4
83.05023	0.6
84.02181	0.7
85.02938	0.5
95.01439	0.4
95.05027	0.9
97.02935	0.7
97.06578	2.9
99.04527	12.5
101.06092	1.0
104.49790	0.4
107.05074	0.4
109.02950	0.4
109.06577	1.8
114.53680	0.3
119.08766	0.3
120.99675	0.5
121.06590	3.0
123.08166	4.2
124.05311	2.0
125.02450	4.6
125.06047	0.6
125.09700	0.4
126.05650	0.5
127.07625	0.8
133.10229	1.0
135.04469	0.6
135.08232	0.4
137.02472	0.6
137.09714	0.4
138.54956	0.4
139.07683	0.5
139.11353	0.4
149.09692	0.9
151.03961	0.6
151.11324	0.4
153.09203	1.3
155.05356	0.5
161.02496	0.5
161.09734	1.4
165.12836	0.5
175.04034	0.6
177.12805	1.8
179.10783	9.6
180.11140	0.6
185.76279	0.5
193.12305	0.7
195.13884	18.3
196.14212	1.1
197.11810	9.9
198.12149	0.6
199.04216	0.6
207.13855	0.4
211.13371	2.5
213.14969	0.8
235.13295	2.0
249.14995	1.0
251.16466	1.3
253.14439	1.9
259.06097	0.4
267.15988	1.2
269.17587	4.6
270.17908	0.5
287.05600	1.2
287.18634	100.0
288.15936	0.7
288.19006	8.9
288.22214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65115	0.1
57.03448	1.6
57.83248	0.2
58.00343	0.3
58.00600	3.1
59.01381	10.3
69.47833	0.9
69.48238	0.4
71.01385	5.2
71.65427	0.2
72.99310	0.4
73.02946	0.2
75.36847	0.2
83.05035	0.4
86.00099	0.5
87.00880	0.5
88.01662	1.5
89.02444	3.2
97.06601	2.2
98.20654	0.3
109.06566	0.2
123.08144	1.1
137.09729	0.7
139.11290	1.9
157.12321	0.4
161.09605	0.2
163.11279	0.4
165.71217	0.2
177.12805	0.3
179.14420	2.5
180.14891	0.2
181.12370	0.2
189.12872	0.9
191.14384	1.3
193.12332	0.8
195.13942	0.9
197.15448	2.9
201.11252	0.6
201.12914	0.4
203.14343	0.5
205.15979	0.4
207.13870	0.6
209.15465	1.1
210.15799	0.2
215.14436	0.8
219.13895	19.3
220.14273	1.3
221.15497	2.0
223.17006	0.9
233.15417	2.3
237.14966	11.3
238.15302	1.0
239.16528	1.5
251.16466	1.0
255.15973	2.7
269.17557	1.6
287.18631	100.0
288.18967	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.8
65.00323	2.7
69.39918	8.6
69.40343	15.0
83.01402	17.5
92.26920	2.7
93.03461	9.2
95.01383	4.4
97.02979	4.9
107.04991	3.9
108.02153	6.3
109.02965	41.6
119.04987	3.8
121.02958	23.4
124.01623	13.2
125.02448	80.2
131.05040	4.9
133.02942	5.2
135.04517	11.6
137.02452	84.8
139.04071	2.8
145.06558	6.7
146.03769	4.4
147.04503	11.0
148.05222	4.0
149.02441	34.0
149.06071	4.2
150.03255	12.0
151.03967	11.8
151.68883	3.3
158.03741	3.6
159.04524	14.3
161.02431	24.4
163.04019	5.4
164.01167	6.6
165.01945	27.5
171.04420	3.5
172.05293	9.1
173.02446	2.8
173.06093	22.1
174.03203	11.6
175.04007	56.8
176.04688	6.3
177.01909	7.4
177.05554	11.7
183.04480	6.0
187.07704	3.5
189.05573	12.8
191.07101	8.2
197.06047	7.4
199.03998	4.7
200.04865	3.6
201.05573	42.7
203.03519	23.9
213.05505	4.6
214.06143	2.5
215.07082	13.1
217.05002	18.2
219.06609	30.4
225.05562	8.8
227.03456	2.6
241.05074	9.9
243.02922	10.4
243.06598	19.4
245.04474	8.0
258.05325	7.5
259.06116	67.8
260.06421	4.2
269.04498	11.5
287.05609	100.0
287.15039	3.6
288.05899	7.2
289.62857	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	287.0563
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
51.07072	0.6
57.03447	14.8
59.01379	1.4
60.27887	0.6
63.02396	4.2
65.00324	8.5
65.01244	0.6
70.39169	2.2
71.01418	0.7
73.02924	0.6
76.81557	0.6
81.03469	3.8
83.01390	11.0
85.31211	0.7
91.04733	0.6
93.03467	2.3
102.49996	0.5
107.01391	7.6
109.02942	3.5
111.00868	1.3
117.03482	0.8
121.02996	1.4
122.33940	0.7
123.00882	1.2
123.04535	2.4
124.01646	2.6
125.02448	100.0
126.02785	3.0
130.04193	0.8
131.05028	2.7
133.02956	2.9
134.03749	1.6
135.04512	1.8
137.02470	0.9
145.02922	1.0
145.06517	1.0
149.06160	1.0
151.00362	12.7
152.01147	8.8
153.01959	3.0
156.05827	1.1
157.06592	2.2
158.03711	0.7
159.04512	1.8
161.02489	0.8
165.01915	0.9
171.04549	0.9
172.05324	1.9
173.06046	4.8
176.01152	0.9
177.05553	16.3
177.07951	0.7
178.05936	0.8
178.99872	6.0
185.06079	0.7
187.07527	1.0
193.35883	0.6
197.06062	1.1
199.07593	2.9
201.05571	9.9
203.03537	1.3
213.05606	1.4
215.07114	4.9
219.06648	1.6
225.05603	0.7
241.05048	1.8
243.06627	14.4
244.07043	0.8
259.06104	70.3
260.06458	5.2
269.04449	3.2
287.05603	51.5
287.18616	5.4
288.05957	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	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03440	0.7
70.97980	0.3
71.04982	0.4
71.12185	0.4
71.12526	0.4
76.22582	0.3
133.10406	0.3
169.15193	0.3
171.30113	0.3
221.18948	0.6
223.20670	66.2
224.21019	5.1
241.21814	1.9
249.22249	0.3
267.19647	35.6
268.19971	3.1
285.04202	2.1
285.20709	100.0
286.04633	0.4
286.21036	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	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01374	1.5
69.39030	0.7
69.39443	2.4
70.99667	0.3
73.02943	0.3
78.95897	0.3
117.43253	0.4
138.01892	0.4
239.23830	4.2
243.19437	0.4
267.23337	0.9
283.22739	0.8
285.04089	3.8
285.17429	2.1
285.24344	100.0
286.04489	0.5
286.24683	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.93378	0.4
57.03439	0.6
59.01367	1.2
59.11837	0.4
61.17576	0.4
69.83424	1.5
69.83846	0.9
70.02974	0.9
71.01365	0.5
73.02953	0.5
74.06110	1.6
80.58253	0.4
81.35437	0.4
83.05042	0.4
95.01408	0.4
99.04508	0.4
115.08852	0.4
117.07115	0.8
118.05065	0.9
125.02451	0.5
143.05107	0.4
183.96230	0.5
219.13954	1.0
237.15005	0.6
240.23288	3.1
242.18979	0.4
242.21242	1.8
242.24954	0.4
268.22720	0.8
286.04312	1.7
286.23874	100.0
287.13452	0.9
287.16638	1.1
287.18921	7.5
287.24420	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.0
59.01381	100.0
59.67131	2.7
62.13692	2.8
69.38921	13.8
69.39358	11.0
73.02952	5.2
83.05057	3.1
93.03463	7.2
98.19840	4.8
104.59004	2.6
104.98158	3.4
130.87589	3.2
133.02884	3.0
137.09683	3.6
163.11281	4.9
165.31293	3.1
181.12361	8.2
199.03821	3.4
211.13388	31.2
213.05725	3.5
218.05780	2.6
227.03532	3.5
228.03865	9.7
229.05083	4.4
256.03381	11.7
257.04446	3.3
285.04001	51.2
285.13852	4.5
285.17075	37.4
286.04166	4.5
286.17120	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	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
54.57488	0.2
57.03440	1.2
59.01368	1.2
63.33445	0.2
70.34120	0.9
71.05015	0.4
72.58462	0.2
78.95900	0.8
83.04976	0.5
97.06593	1.1
99.00909	0.4
109.06592	0.3
111.08144	1.2
113.09732	0.4
125.09698	0.9
127.11300	1.0
139.11328	1.7
141.12842	1.2
143.00085	0.3
151.00377	0.3
155.14403	2.4
167.14265	0.4
169.15886	0.3
185.11729	0.4
185.50243	0.3
211.20634	1.1
216.76891	0.3
221.19061	0.9
223.17043	0.6
239.20035	1.6
241.18024	0.7
241.21735	0.7
249.14922	1.2
265.18176	0.5
267.16068	1.6
267.19669	1.3
285.04086	6.1
285.17328	5.7
285.20697	100.0
286.04236	0.3
286.17868	0.4
286.21066	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
58.00583	2.2
59.01382	3.5
63.02394	0.5
69.03454	3.0
69.57133	1.2
69.57542	2.8
71.00986	1.0
71.01382	19.2
71.05035	0.7
72.01740	0.6
72.99303	0.6
73.02928	1.2
73.66666	0.6
73.85302	0.5
82.49627	0.5
83.05027	2.8
85.02955	1.8
85.06598	11.6
88.91933	0.5
93.03465	0.8
95.05039	0.7
97.06574	2.5
99.04496	0.8
99.08141	1.6
109.06581	1.2
111.08145	0.7
113.06084	2.6
113.09708	3.8
115.07647	18.5
116.07985	0.6
123.08176	1.6
125.06088	0.5
125.09724	1.7
127.07642	1.1
127.11268	3.1
130.08710	0.7
130.28185	0.7
130.29124	0.6
137.09702	1.0
139.07622	0.5
139.11270	0.7
141.09213	2.3
143.10744	1.0
153.09218	0.6
157.12364	0.9
165.12804	4.1
167.14412	0.9
169.06633	0.5
169.08693	0.7
177.12846	2.1
183.13837	1.9
183.17555	0.8
185.15431	2.0
187.03958	0.8
193.12317	1.8
193.15958	2.6
195.13887	4.2
195.17665	0.6
205.16035	3.1
209.15398	1.5
211.13402	3.6
213.14960	19.5
213.18478	1.5
214.15218	1.4
223.17003	2.1
227.03317	0.7
229.05092	1.3
234.37772	0.5
239.16498	1.1
241.18102	1.6
249.15009	1.0
257.04630	0.8
267.16006	4.5
285.04050	9.0
285.17065	100.0
286.04285	0.7
286.17404	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92765	0.6
57.03458	3.6
58.00582	2.9
59.01381	5.7
61.25920	0.6
63.02373	1.0
65.00330	0.7
69.03484	0.8
69.33905	2.9
69.34331	2.7
71.01379	1.4
71.05019	1.1
73.02948	1.3
83.01398	0.9
83.05016	2.1
85.02944	1.1
85.06580	9.6
87.04530	0.6
93.03454	1.9
93.85117	0.6
97.06601	1.7
99.04554	0.6
99.08170	1.6
101.06054	0.7
104.98210	1.1
106.69735	0.6
107.01395	1.9
107.05015	0.8
109.02952	1.7
109.06604	1.8
111.08169	5.6
113.06093	3.6
113.09736	3.4
115.07645	26.3
122.18340	0.5
123.04540	1.4
123.08168	1.4
125.09741	3.0
127.07654	7.4
135.00874	1.3
137.09738	2.1
139.07669	1.1
141.09236	1.3
143.05014	1.7
145.02931	0.6
149.09688	1.3
151.00395	0.8
151.11287	0.7
153.09277	0.8
156.87956	0.6
157.06546	1.1
159.04498	1.4
163.00368	1.3
167.04956	0.7
167.10742	1.0
167.14479	1.2
169.06554	0.8
169.08711	1.5
169.12318	1.4
171.04529	1.3
175.11324	1.0
177.12822	0.8
179.14444	4.1
183.04419	0.9
184.04906	0.8
185.06047	1.9
187.04007	2.9
189.05580	0.9
191.14447	0.7
193.12271	2.9
193.15953	0.8
195.04530	0.8
195.13786	1.1
197.15497	2.2
205.15855	0.7
211.03983	1.8
211.13368	2.9
212.04311	0.9
213.05563	1.5
221.15430	5.1
223.03966	0.6
223.17046	1.0
227.03546	3.9
228.03847	13.6
229.05107	5.2
239.03447	1.0
239.16512	1.4
240.04234	0.8
241.05028	1.6
241.18172	0.7
255.02995	1.9
256.03339	15.0
257.04514	3.0
267.16003	11.0
285.03995	57.3
285.17059	100.0
285.26987	1.7
286.04205	4.8
286.17413	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	285.0405
Annotation	Fisetin
Peak:m/z	Relative Intensity
57.03444	0.2
59.01365	0.6
63.02400	1.0
65.00329	0.7
69.46082	0.8
69.46493	0.2
71.01384	0.2
73.02990	0.1
77.74828	0.1
79.28280	0.1
83.01387	1.2
83.05057	0.1
85.06577	0.3
88.91159	0.1
91.01894	0.3
91.68121	0.2
93.03452	2.6
95.01397	0.5
98.20622	0.3
98.82438	0.1
107.01405	1.7
108.02183	0.6
109.02940	1.1
109.06604	0.4
115.05472	0.1
117.03480	1.0
117.30012	0.1
119.01398	0.5
119.05030	0.2
121.02938	0.3
123.00896	0.4
123.04503	0.4
130.04237	0.2
131.05046	0.5
132.02155	0.2
133.02983	0.4
135.00870	0.7
137.02437	0.8
141.07124	0.3
143.05005	1.6
145.02994	1.1
145.06610	0.2
147.04539	0.2
151.00381	1.7
152.00636	0.2
153.84914	0.1
154.04254	1.1
155.05016	0.6
156.05746	0.3
157.02951	0.3
157.06609	0.7
158.03665	0.3
159.04527	1.6
161.02480	0.6
161.06038	0.2
163.00406	0.9
164.01154	0.6
165.01962	0.6
167.05028	0.7
168.05779	0.2
169.01427	0.3
169.06601	1.3
171.04506	1.5
173.02415	0.6
173.06004	0.3
174.03238	0.2
181.08673	0.3
183.04507	0.6
184.05280	0.6
185.06082	2.5
186.06364	0.3
187.03964	2.0
187.91309	0.1
189.05554	0.4
192.00600	0.2
195.04512	0.4
197.06075	0.4
198.03136	0.4
199.04045	0.7
201.05525	0.5
210.03015	0.2
211.03983	1.2
211.13309	0.3
212.04651	0.4
213.05585	1.0
214.02747	0.8
215.03426	0.7
217.05112	0.2
219.03029	0.3
223.13327	0.2
225.07687	0.3
227.03525	1.1
229.05061	2.0
239.03490	1.8
240.04185	0.6
241.05000	0.4
241.14513	0.2
243.02940	0.6
255.03021	0.6
256.03787	0.3
257.04605	1.0
267.02951	0.3
267.15884	0.3
268.03680	0.3
284.03247	0.2
284.26782	0.9
285.04041	100.0
285.16937	1.3
285.27023	0.3
286.04385	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	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32432	0.5
55.01871	1.1
57.03449	3.4
59.01372	2.1
61.90747	0.5
69.03487	0.7
69.51575	0.8
69.51982	3.2
71.01377	1.6
72.99319	6.7
73.02952	2.2
73.89049	0.6
83.01389	0.7
83.05022	0.7
87.00883	1.4
89.02503	0.7
97.06592	0.6
99.00865	1.3
109.02952	1.6
111.08178	1.3
113.06187	0.7
118.03024	0.9
121.02979	5.6
121.06596	0.6
122.06111	1.0
123.08171	0.7
125.02445	3.1
128.82599	0.5
130.17094	0.6
132.98244	0.5
135.04562	1.5
137.02449	7.6
138.03221	1.0
143.05089	0.6
147.04533	1.4
149.02434	1.0
150.03207	0.7
151.03999	2.1
152.04771	5.6
153.05537	1.9
161.02377	2.4
163.00345	1.4
163.04028	7.2
165.05582	4.4
166.06351	1.0
171.04482	0.9
173.02451	0.9
174.03244	0.8
175.04007	2.5
176.01161	1.0
176.03520	4.1
176.04770	1.0
177.01949	1.3
177.99678	1.5
178.02701	0.6
178.06343	3.9
179.03503	45.3
180.01234	2.2
180.03882	2.1
181.12274	0.9
184.03746	1.9
185.05995	0.7
187.04042	0.8
190.02707	0.8
191.03523	6.0
192.04182	1.6
193.03300	1.0
193.05055	16.9
194.05832	29.0
195.06190	1.3
196.07640	0.5
197.15509	1.0
199.04137	1.2
199.08698	0.7
204.04250	0.6
205.05075	4.3
206.05792	2.9
207.06580	1.1
209.08195	58.8
210.02306	1.8
210.08557	3.1
211.04062	0.6
213.05550	0.7
217.05077	1.4
221.08192	2.0
222.05319	0.7
223.13399	2.2
227.07066	0.5
237.07733	3.1
241.04939	1.3
241.10732	0.6
241.14470	5.7
242.04826	0.9
257.04590	1.5
267.12491	1.1
270.07364	1.1
284.26669	2.5
285.04605	13.2
285.09790	100.0
285.13361	21.3
285.16840	3.6
285.27151	1.1
286.04428	1.2
286.10236	6.5
286.13354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02401	1.5
65.00323	0.7
65.03990	0.4
66.73379	0.1
67.01913	0.3
68.99850	0.2
69.58142	0.3
69.58552	0.5
75.02448	0.1
78.76710	0.1
79.01918	0.5
83.01382	0.7
83.66100	0.1
89.03960	0.2
91.01897	1.5
93.03463	6.2
94.03804	0.2
95.01426	0.3
107.01395	3.9
108.02203	0.4
109.02965	1.9
109.03671	0.2
115.05542	0.2
117.03461	2.5
119.01401	0.6
119.05067	0.2
121.03007	0.2
123.00939	0.3
123.04608	0.1
124.01659	0.2
128.63052	0.1
129.03506	0.1
130.04254	0.6
131.05046	1.6
132.02231	0.3
132.05281	0.2
133.02971	0.2
133.06541	0.2
135.00897	2.6
135.04568	0.1
136.01239	0.2
137.02460	0.9
141.07129	0.7
143.05040	4.2
144.05389	0.2
145.02972	1.0
145.06558	0.7
147.00871	0.2
147.04564	0.2
151.00385	0.6
153.01961	0.8
154.04269	1.0
155.05074	1.0
156.05826	1.1
157.02979	0.2
157.06624	2.8
158.03752	0.8
159.04532	4.9
160.04903	0.3
161.02495	0.7
161.06122	0.4
163.00397	4.1
164.01155	0.3
165.01889	0.7
167.05051	1.6
168.05673	0.3
169.02950	0.3
169.06631	1.7
170.03743	0.2
171.04518	1.7
172.04933	0.2
173.02425	0.5
173.06061	0.7
174.03198	0.3
182.03758	0.5
183.04541	2.2
184.05185	1.2
185.02492	0.4
185.06102	6.2
186.02954	0.4
186.06398	0.4
187.04024	9.0
188.04350	0.4
189.05577	2.2
190.99974	0.2
191.03461	0.2
192.00685	0.3
195.04517	1.7
196.05267	0.6
197.06125	1.8
198.03282	0.6
198.06282	0.2
199.04027	1.6
200.04446	0.3
201.05617	1.7
202.02766	0.1
210.03250	0.2
211.04010	4.9
212.04524	1.1
213.05574	3.3
214.02753	0.8
215.03513	0.9
217.05034	0.2
223.04008	0.5
224.04619	0.2
226.02705	0.3
227.03506	6.0
228.01550	0.2
228.03845	5.4
229.05070	23.0
230.05421	1.6
239.03500	2.5
240.04257	1.6
241.05061	3.1
242.05499	0.2
243.03027	0.9
255.03040	1.9
256.03391	8.7
257.04562	10.2
258.04962	0.6
267.03021	1.6
268.03693	0.4
284.02960	0.2
285.04022	100.0
286.04370	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	285.041
Annotation	Luteolin
Peak:m/z	Relative Intensity
56.68896	0.2
57.03445	0.4
59.01384	1.9
63.02401	0.9
65.00333	3.0
69.03446	0.3
71.01394	0.5
71.05074	0.2
71.63284	0.2
73.02924	0.3
83.01409	1.8
83.05053	0.3
85.02972	0.4
85.06599	0.5
87.04537	0.2
93.03471	0.5
95.05042	0.5
97.06600	0.4
103.82336	0.2
105.03454	0.6
106.20348	0.3
107.01404	5.2
119.01379	0.3
121.02966	1.1
123.08199	0.4
131.05054	0.2
132.02182	0.6
133.02969	26.3
134.03302	1.0
135.04564	0.3
138.16331	0.2
139.11307	0.6
141.09181	0.2
143.04996	0.5
145.02951	0.5
147.04488	0.7
147.55312	0.2
149.02458	4.3
150.02785	0.3
150.99159	0.5
151.00380	8.9
151.11241	0.3
152.00754	0.3
155.05124	0.3
165.01884	0.4
169.12347	0.5
171.04482	0.9
173.02466	0.2
174.03261	0.4
175.04008	5.1
179.14424	0.8
184.05263	0.3
185.06058	0.7
185.11830	0.2
187.04045	0.4
189.05577	0.4
195.13968	0.3
197.06061	0.5
198.03279	0.9
199.04013	4.9
200.04364	0.3
201.01875	1.6
211.04010	0.5
212.04675	0.3
213.05623	1.0
215.03508	0.8
217.05052	2.3
218.05437	0.4
223.03947	0.6
223.13466	0.8
229.05136	0.7
239.03467	0.4
241.05045	2.2
241.14474	0.3
242.05745	0.2
243.02972	1.3
256.03693	0.4
257.04678	1.4
267.03018	0.6
267.12491	0.7
267.15982	0.5
284.26843	1.4
285.04068	100.0
285.13391	3.5
285.16986	4.0
285.27075	0.9
286.04401	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	285.0401
Annotation	7-Hydroxyemodin
Peak:m/z	Relative Intensity
52.12952	0.1
57.35452	0.1
59.01374	0.5
63.02395	1.5
65.00330	0.7
65.03960	0.5
67.01880	0.3
68.99815	0.3
69.33492	0.6
69.33931	0.8
69.37904	0.2
79.01884	0.6
83.01386	1.0
89.03976	0.2
91.01882	1.4
93.03458	5.6
95.01377	0.4
97.02905	0.2
98.20632	0.4
107.01394	3.8
108.02228	0.3
109.02300	0.2
109.02967	1.9
112.42432	0.2
114.22434	0.2
115.05547	0.2
117.03472	2.2
119.01390	0.5
119.05028	0.2
121.02934	0.5
123.00894	0.4
123.04457	0.2
124.01668	0.4
130.04210	0.5
131.05054	1.3
133.06564	0.2
135.00874	2.4
137.02448	1.0
137.06058	0.2
141.07091	0.6
143.05031	3.5
145.02963	1.4
145.06554	0.7
147.04526	0.2
151.00377	1.1
153.01956	0.8
154.04263	1.1
155.05045	0.9
156.05794	0.9
157.02997	0.2
157.06570	2.6
158.03714	0.6
159.04514	4.6
160.04907	0.2
161.02501	0.8
161.06099	0.2
163.00395	3.6
164.01120	0.2
165.01930	0.6
167.05017	1.5
168.05807	0.5
169.02846	0.4
169.06593	2.1
171.04515	1.7
172.05106	0.2
173.02455	0.5
173.06068	0.5
174.03203	0.2
175.04010	0.3
181.68462	0.2
182.03719	0.4
183.04520	1.9
184.05249	0.8
185.06082	6.4
186.06424	0.5
187.04004	8.3
188.04330	0.5
189.05571	2.7
190.05818	0.2
190.99820	0.2
191.03473	0.2
192.00615	0.2
195.04485	1.5
196.05228	0.6
197.06064	1.6
198.03217	0.6
199.04010	1.5
200.04410	0.3
201.05582	1.5
202.02779	0.2
211.03999	4.2
212.04639	0.9
213.05565	4.1
214.02678	0.7
214.05928	0.2
215.03513	1.0
223.04033	0.6
227.03485	5.1
228.03932	0.9
229.05049	21.3
230.05386	1.4
239.03510	2.8
240.04274	1.8
241.05075	2.7
243.03024	1.0
255.03059	1.5
255.06546	1.2
256.03674	1.9
257.04553	10.5
258.04892	0.7
267.02875	1.6
267.19470	0.3
268.03799	0.2
270.08948	0.5
284.26779	1.0
285.04037	100.0
285.16974	0.9
285.20679	1.7
285.27139	0.5
286.04388	8.3
286.23898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1552
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
52.96875	0.4
53.86301	0.4
57.03449	17.0
58.99563	0.4
59.01386	2.1
59.56966	0.4
60.70939	0.4
69.03451	1.8
69.48581	3.4
71.01392	1.3
72.99313	0.4
73.02952	0.6
81.03465	0.6
83.05028	20.4
84.05331	0.5
85.02972	0.7
93.03468	1.0
95.05031	0.7
97.06591	5.9
99.04545	0.7
101.02480	0.7
102.98605	1.6
109.06601	0.7
115.65054	0.4
117.03464	1.3
119.08656	0.9
121.06600	2.0
123.08165	0.7
125.06094	1.3
133.06595	1.1
135.08151	1.1
137.09727	6.5
145.02858	0.5
147.08154	1.6
161.04633	0.5
161.09738	1.0
163.11304	1.3
165.09175	1.4
177.12866	1.8
179.10794	0.6
181.08649	0.9
181.12408	0.7
185.13333	0.6
187.11301	0.7
189.01945	1.0
191.10757	0.5
191.14406	0.8
197.05992	0.4
199.65007	0.4
203.14415	6.6
204.14751	0.5
205.12289	3.9
206.12596	0.5
207.10307	0.8
211.04045	0.6
221.15488	1.5
225.11288	0.9
227.03500	1.3
239.07117	1.4
239.12965	0.5
239.16522	4.8
247.13417	0.9
255.02992	2.2
255.06413	0.5
256.03647	0.5
265.14389	2.6
283.02484	2.6
283.06122	2.9
283.15518	100.0
283.26416	41.6
284.03259	2.3
284.06247	0.5
284.09259	2.1
284.15851	7.5
284.26733	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
57.85279	0.4
70.38750	1.2
87.77913	0.4
91.81235	0.5
106.04259	0.5
107.05037	100.0
108.05376	3.7
123.04518	0.5
147.94691	0.5
163.11298	96.1
163.26015	0.4
164.11652	3.8
172.58592	0.5
283.17056	88.9
283.22894	2.6
283.26398	31.2
284.17395	9.8
284.23575	0.4
284.26630	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	283.1915
Annotation	Litseakolide F
Peak:m/z	Relative Intensity
55.47832	0.7
57.03430	0.8
59.01374	0.8
69.69726	2.1
69.70138	2.4
70.34499	0.8
71.01445	0.8
113.06049	1.1
137.09723	55.0
138.10068	2.3
143.72641	0.7
154.98056	0.7
189.16440	0.9
205.15974	3.4
207.17520	17.4
208.17853	1.0
218.21317	0.7
251.16519	10.0
283.19159	100.0
283.26395	68.8
284.19482	7.0
284.26727	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	283.228
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
57.03437	1.1
59.01374	1.3
70.29808	0.4
71.63908	0.6
114.08033	0.4
169.42064	0.4
188.45035	0.4
209.04135	0.4
223.08302	0.4
223.20659	1.6
239.23857	1.2
283.22775	95.4
283.26379	100.0
284.23087	7.8
284.26727	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	281.2486
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
53.81334	0.5
59.78130	0.4
60.28566	0.5
62.93402	0.6
68.56915	0.5
71.26163	1.0
76.99081	0.5
90.60538	0.6
103.26465	0.5
103.90224	0.6
103.92670	0.5
118.16036	0.5
119.76077	0.5
137.80620	0.6
139.41016	0.5
196.86414	0.6
280.48221	0.5
281.24850	100.0
282.25220	9.7
297.11569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Hysterone D
Peak:m/z	Relative Intensity
57.03450	2.5
58.23483	0.5
71.05025	1.2
73.02947	1.7
81.03446	5.2
83.05022	0.6
84.02133	0.6
97.02906	0.6
97.06581	1.8
99.04527	9.3
108.50442	0.5
109.06581	1.2
112.55543	0.5
121.06576	1.9
123.08167	7.3
125.09726	17.3
135.44894	0.5
141.09198	2.3
142.37384	0.5
152.60672	0.6
153.09204	1.2
158.63399	0.7
165.09192	0.9
177.12686	0.5
185.08916	0.5
191.14404	6.5
193.15938	2.4
203.14473	0.9
205.01514	0.5
219.13844	0.9
221.15468	8.9
223.13399	0.6
237.14992	0.7
239.16533	9.5
240.16956	0.7
244.94348	0.5
247.13434	0.7
265.14432	3.1
283.15506	100.0
283.26239	5.9
284.15854	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	283.155
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
51.74360	0.4
54.33633	0.4
57.03450	19.3
59.01368	2.0
69.03476	2.6
69.82047	2.6
71.01398	0.6
71.83803	0.4
73.02954	0.7
82.29494	0.5
83.05030	21.9
85.02903	0.5
93.03477	0.8
95.05040	0.7
97.06587	6.9
101.02451	0.5
102.98594	0.9
105.07171	0.6
105.89227	0.5
114.57279	0.4
117.03440	0.6
119.08659	1.1
121.06582	2.1
123.08168	0.8
125.06087	0.9
133.06590	0.7
135.08151	1.0
137.09738	5.9
147.08151	1.8
151.15887	0.5
159.11797	0.7
159.96581	0.5
161.09708	0.6
163.11279	1.4
165.09212	1.8
167.68631	0.5
177.12898	2.3
178.36781	0.4
178.83595	0.5
181.08693	0.5
181.44498	0.5
183.04588	0.5
185.13387	0.5
191.14482	1.1
203.14420	7.3
205.12344	4.6
207.10301	0.8
211.04041	0.8
214.06488	0.5
221.15436	1.7
225.11365	0.7
227.03514	0.8
239.07135	0.5
239.16544	4.2
247.13370	0.9
255.03004	2.6
255.06668	0.5
265.14505	2.4
283.02451	1.8
283.05963	1.6
283.15524	100.0
283.26419	29.8
284.03149	1.1
284.06274	0.8
284.09332	1.9
284.15836	7.7
284.26843	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	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74360	0.4
54.33633	0.4
57.03450	19.3
59.01368	2.0
69.03476	2.6
69.82047	2.6
71.01398	0.6
71.83803	0.4
73.02954	0.7
82.29494	0.5
83.05030	21.9
85.02903	0.5
93.03477	0.8
95.05040	0.7
97.06587	6.9
101.02451	0.5
102.98594	0.9
105.07171	0.6
105.89227	0.5
114.57279	0.4
117.03440	0.6
119.08659	1.1
121.06582	2.1
123.08168	0.8
125.06087	0.9
133.06590	0.7
135.08151	1.0
137.09738	5.9
147.08151	1.8
151.15887	0.5
159.11797	0.7
159.96581	0.5
161.09708	0.6
163.11279	1.4
165.09212	1.8
167.68631	0.5
177.12898	2.3
178.36781	0.4
178.83595	0.5
181.08693	0.5
181.44498	0.5
183.04588	0.5
185.13387	0.5
191.14482	1.1
203.14420	7.3
205.12344	4.6
207.10301	0.8
211.04041	0.8
214.06488	0.5
221.15436	1.7
225.11365	0.7
227.03514	0.8
239.07135	0.5
239.16544	4.2
247.13370	0.9
255.03004	2.6
255.06668	0.5
265.14505	2.4
283.02451	1.8
283.05963	1.6
283.15524	100.0
283.26419	29.8
284.03149	1.1
284.06274	0.8
284.09332	1.9
284.15836	7.7
284.26843	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	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01880	0.9
57.03452	16.2
59.01381	11.2
65.03986	4.2
69.03452	1.7
69.50819	2.2
69.51222	5.3
71.01390	1.9
71.05016	1.5
72.99306	1.0
73.02968	1.5
80.02657	1.3
83.05030	19.2
85.02950	1.7
87.00877	19.5
93.03469	2.2
95.01427	1.2
95.05022	6.7
97.02966	1.6
98.03747	1.9
98.19804	1.7
99.04491	1.2
101.02462	1.2
101.06099	1.1
107.05016	1.6
109.02962	1.1
109.06601	1.6
111.04513	7.4
111.08163	5.4
113.06092	1.7
119.08673	3.2
121.06592	10.1
122.03708	1.2
122.66136	0.9
123.08167	37.1
124.05296	3.9
124.08501	1.1
125.02457	1.2
125.09704	1.3
126.25183	1.0
129.07094	2.0
133.02971	3.4
133.06598	1.9
135.04538	5.1
135.08160	2.4
137.06111	1.7
137.09694	5.1
138.06918	1.0
139.07669	8.3
145.10190	5.4
147.08162	1.5
149.06071	2.1
149.09743	1.5
151.07655	5.2
153.09222	5.6
161.02457	4.8
161.04588	1.2
163.11295	1.3
169.08817	1.7
169.10220	5.7
171.11795	45.0
172.12088	3.0
175.11287	2.5
176.97006	1.0
177.05559	2.4
179.03503	4.2
189.12860	16.3
190.13141	1.0
191.03545	1.6
201.12860	15.8
207.13899	10.4
219.13921	7.5
221.04561	2.5
237.14957	62.6
238.15308	4.3
241.82924	0.9
263.12811	1.2
270.29831	0.9
281.06863	3.8
281.13940	100.0
282.14218	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.10001	0.2
57.03453	1.5
58.00591	0.6
59.01371	2.7
59.56495	0.2
69.03454	2.1
71.01384	1.6
71.05013	2.0
71.61689	0.2
72.99328	1.2
73.02949	4.7
74.97571	0.2
79.05531	0.2
79.95725	0.3
81.03470	0.4
83.05022	4.7
85.02962	0.8
85.23281	0.2
87.00893	0.4
93.03466	0.4
93.07092	0.4
95.05025	3.7
96.96004	0.7
97.02940	1.0
97.06590	9.8
98.03735	0.3
99.04530	0.6
101.02439	0.3
105.07101	0.3
107.05013	1.0
109.02954	0.4
109.06595	0.7
111.04522	0.9
111.08157	0.6
113.02454	0.6
113.06068	0.3
117.19080	0.2
119.05030	0.6
119.08646	1.1
120.05777	0.8
121.02998	0.4
121.06595	22.1
122.03729	0.7
122.06923	0.7
123.04514	0.4
123.08161	10.3
124.08524	0.6
125.09720	0.2
129.07114	0.5
131.62003	0.2
133.06569	1.5
135.04494	0.7
135.08167	1.9
136.05334	0.6
137.02422	0.3
137.06078	1.8
137.09720	4.0
139.07660	0.7
141.09225	0.3
145.06572	0.4
145.10234	0.2
146.48360	0.2
147.08176	1.1
149.06097	3.1
149.09688	0.6
151.07683	1.1
153.09221	0.3
157.10191	0.4
159.08130	1.1
159.11771	0.3
161.04480	0.2
161.09671	0.7
163.07680	0.3
163.11279	0.5
165.09203	1.8
167.07161	0.4
171.08180	0.4
171.11775	2.3
173.09703	0.4
173.13333	0.7
175.03969	0.2
175.07622	0.2
175.11284	5.2
176.11536	0.3
177.09196	0.3
183.08124	0.3
183.11768	3.6
184.08829	0.2
184.12148	0.3
185.09721	1.5
186.10468	0.4
189.12842	1.3
191.14426	0.8
199.11310	1.0
201.12845	13.2
202.13123	0.9
203.10771	0.8
204.11520	0.3
207.13832	0.7
209.15398	0.4
217.12292	0.7
219.10373	0.3
219.13879	3.2
220.14073	0.3
221.08408	0.3
223.03915	0.5
233.11752	0.3
237.11226	0.5
237.14964	0.9
238.05020	0.3
245.11769	0.4
252.04321	0.5
253.05046	0.8
263.05692	0.3
263.12939	2.6
281.13925	100.0
282.07449	0.5
282.11035	0.4
282.14285	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
58.08350	0.2
59.01381	0.7
69.03461	0.8
69.55803	1.6
71.05022	1.2
73.02940	0.3
81.03468	1.7
83.05058	0.6
84.02169	0.4
95.05028	0.7
95.95631	0.2
97.02933	0.5
97.06590	3.4
98.03732	0.5
98.19885	0.5
99.04526	1.3
107.05028	0.8
109.02908	0.3
109.06583	0.3
110.03714	0.3
111.04533	2.5
119.08665	2.2
120.05804	1.1
121.06599	4.9
122.03734	0.8
123.08151	2.4
133.06639	0.3
135.04527	1.4
135.08186	0.5
137.08740	0.3
137.09737	4.7
145.06590	0.6
147.08202	1.5
149.06094	1.4
151.07649	2.6
157.10265	0.4
159.11801	0.4
161.09671	0.6
163.11258	0.6
165.09201	2.3
167.08655	0.5
171.08185	2.2
171.11829	0.9
173.09779	0.4
173.13403	0.4
175.11305	0.7
181.08678	0.9
181.10155	0.4
183.08156	0.3
183.11810	2.8
185.09747	3.9
186.10474	0.5
189.09210	0.6
189.12814	1.9
191.14342	0.5
199.11275	0.7
201.12857	19.6
202.13136	1.1
203.10760	0.7
206.09608	0.3
219.13919	5.8
220.14177	0.5
237.11305	0.4
237.14951	1.7
258.42053	0.3
263.12881	1.9
281.13950	100.0
282.14282	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03444	1.3
59.01379	0.6
61.07393	0.3
64.66308	0.3
69.03460	0.6
71.05010	1.5
81.03439	1.5
83.05036	0.9
86.35233	0.3
95.05040	0.7
97.02960	0.6
97.06602	3.0
98.03734	0.4
99.04527	1.3
107.05026	0.9
109.02914	0.4
110.03731	0.4
111.04541	2.4
119.08695	2.2
120.05811	1.1
121.06602	5.0
122.03727	0.9
123.08168	2.2
133.06660	0.6
135.04491	1.6
135.08163	1.0
137.09708	3.9
145.06607	0.4
147.08180	1.7
149.06073	0.8
151.07666	3.2
155.08626	0.3
161.09752	0.4
161.79230	0.3
163.11255	0.7
165.09181	2.0
167.08670	0.6
171.08189	1.6
171.11781	0.8
173.13390	0.7
175.11290	0.8
181.08725	0.5
183.11774	2.6
185.09732	4.1
186.10373	1.1
189.09200	0.6
189.12886	2.0
191.14413	0.5
199.11322	0.9
201.12849	20.6
202.13222	2.0
203.10724	1.0
205.33968	0.4
219.13887	6.1
229.18535	0.3
237.14938	2.0
245.11937	0.5
263.12891	1.8
281.13937	100.0
282.14294	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	281.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03446	3.6
58.00596	1.0
58.05693	0.5
59.01390	5.6
64.74989	0.5
65.03957	1.1
69.03442	0.9
69.76674	2.1
71.01379	1.4
71.05021	1.2
73.02953	1.7
81.03467	1.3
83.05027	6.6
85.02936	1.7
85.71056	0.5
87.00860	3.5
89.02432	0.7
93.03450	1.3
95.05025	3.7
96.96033	0.9
97.02966	0.8
97.06602	6.6
98.03693	0.9
98.19874	0.8
105.07066	0.5
107.05025	1.3
109.02922	0.7
109.06582	1.4
111.04527	2.6
111.08152	2.0
113.02444	0.6
113.06088	1.5
119.05059	0.5
120.05802	1.8
121.02947	1.1
121.06604	21.3
122.03749	1.0
123.04536	0.7
123.08173	21.2
124.05338	0.8
124.08575	0.8
125.09721	0.7
133.06604	1.0
135.04495	1.0
135.08171	1.4
137.06082	1.7
137.09738	1.7
139.07634	3.0
145.10236	0.6
149.02480	0.7
149.06073	5.4
151.07689	2.9
153.09198	1.1
163.00378	1.3
169.10229	1.0
171.11797	9.2
175.11247	1.4
177.01927	1.3
177.09250	0.6
177.12837	1.0
183.11751	0.7
185.09636	0.6
189.12881	3.5
190.13153	0.6
191.14389	2.9
201.12872	4.8
207.13908	4.7
219.13902	5.2
222.80006	0.5
237.14977	11.8
238.15318	0.9
263.12909	1.7
265.03552	1.0
266.04163	11.9
267.04376	0.9
281.06903	8.9
281.13950	100.0
282.07318	0.6
282.14328	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	281.1393
Annotation	Merrillianone
Peak:m/z	Relative Intensity
55.01879	0.4
57.03434	2.1
57.89796	0.5
59.01387	2.9
62.42181	0.4
64.31482	0.4
68.97848	0.4
69.03432	1.6
70.16730	2.1
71.01369	1.0
71.05007	1.5
72.99296	1.9
73.02926	2.0
74.70127	0.5
81.03445	0.8
83.01392	0.7
83.05015	2.8
85.02959	0.7
87.00881	0.9
94.20135	0.4
94.24926	0.4
95.05023	2.5
97.02961	1.0
97.06586	5.3
98.19860	0.5
99.04503	1.2
104.50779	0.5
107.05031	1.4
111.04523	2.0
111.08206	0.5
119.08626	1.1
120.05820	1.3
121.02982	0.5
121.06596	5.5
122.03729	1.9
123.04559	0.6
123.08168	7.3
125.06051	1.2
133.06587	1.2
135.04500	2.0
135.08156	1.2
137.09715	1.0
139.07635	1.5
143.05083	0.5
147.08151	1.0
149.06049	1.6
149.09764	0.6
151.07643	1.2
161.09700	1.1
163.11336	0.6
165.09171	1.3
171.08141	5.8
171.11780	1.9
173.09680	1.2
175.11278	1.9
183.11771	0.9
185.09721	5.4
186.06853	1.3
188.08356	1.4
189.12888	3.1
191.14362	0.9
201.09221	0.9
201.12845	22.1
202.13252	1.0
203.10776	11.3
204.11000	0.7
207.13828	0.6
219.06648	0.5
219.13904	5.9
221.11792	0.8
237.07788	0.5
237.11305	0.5
237.14894	2.9
245.11674	0.5
248.03244	0.7
263.05685	0.9
263.12836	1.9
281.07062	1.9
281.13925	100.0
281.24738	1.3
282.14282	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	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.19323	0.4
57.03450	3.2
57.67186	0.5
59.01368	2.0
61.52900	0.4
67.05532	0.7
69.03449	1.5
69.55972	3.1
71.01392	0.6
71.05004	1.4
73.02943	0.6
73.19260	0.5
76.78483	0.4
76.94202	0.4
81.03448	5.3
83.05035	2.4
85.02931	1.1
93.03459	0.6
95.01405	0.5
95.05031	1.9
96.96030	0.5
97.02932	1.7
97.06590	2.7
98.03731	0.8
98.20636	0.6
99.04529	6.4
107.05022	2.0
109.02954	0.5
109.06580	1.0
111.04517	5.9
117.07079	0.6
119.08669	7.9
120.05827	3.1
121.06599	12.3
122.03739	1.5
123.04570	0.5
123.08167	9.8
125.06066	0.9
125.76710	0.4
131.08708	0.7
133.06575	1.8
135.04535	1.0
135.08223	1.2
136.99745	0.5
137.06155	0.6
137.09721	6.9
138.10060	0.6
139.65886	0.5
149.06093	1.3
149.09700	0.8
151.07655	6.0
153.09203	0.8
154.29968	0.4
163.07652	0.8
164.95882	0.5
171.08134	0.6
173.13449	0.5
175.11232	1.5
177.12863	0.6
179.72371	0.4
181.08705	4.4
183.11774	0.6
185.09644	1.1
188.68230	0.4
189.09111	0.4
189.12819	6.0
191.10669	0.7
191.14438	2.6
201.12872	4.3
202.13034	0.5
217.12354	0.5
219.13895	4.7
236.17339	0.4
237.14954	5.4
238.05113	0.8
245.11687	0.6
263.12906	8.1
281.13937	100.0
282.14285	8.7
282.17242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03452	2.3
59.01384	100.0
60.01726	0.9
61.98837	0.7
69.58698	2.7
69.59108	2.6
71.01386	9.6
72.99324	1.4
73.02966	2.5
82.51834	0.7
83.01401	1.7
83.02950	0.6
83.05047	0.9
85.02968	5.0
87.00877	2.2
87.04551	0.9
89.02434	4.6
93.03467	1.8
95.01437	0.8
98.20564	1.5
99.00883	0.7
99.58756	0.8
101.02454	8.0
109.03005	1.0
111.04588	1.0
113.02467	2.9
117.03541	0.8
119.03531	2.2
119.05031	3.9
119.07242	0.8
121.06522	0.7
123.08173	1.3
129.01993	0.8
131.03535	1.0
133.03027	1.3
134.03632	1.0
135.03282	0.7
135.04567	2.9
149.06281	1.1
150.04279	1.0
151.02257	5.7
161.02505	1.9
161.04623	2.9
161.05859	0.8
171.11855	1.4
175.03975	0.7
179.03529	1.7
188.07172	8.5
221.06616	1.7
221.10379	2.2
237.15013	2.4
250.92632	0.8
252.06595	1.2
281.06705	1.9
281.13919	3.0
281.24902	4.1
282.10040	0.7
291.35291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	34.9
59.01394	3.0
60.28098	0.6
60.60534	0.5
69.03455	0.8
69.64447	3.3
71.01386	3.1
71.05048	0.6
72.99306	1.2
73.02948	57.7
74.03281	0.7
83.05045	1.1
85.02971	1.2
93.07114	1.9
95.05026	1.2
96.96010	1.0
97.06610	1.1
98.50989	0.6
105.07082	1.7
106.37765	0.6
109.06596	1.1
111.04520	2.6
119.05101	0.7
119.08679	2.5
121.06599	3.1
121.10239	1.1
123.04482	0.7
123.08169	2.1
125.06104	0.6
134.07433	0.7
135.08122	0.9
137.02481	0.8
137.06032	0.8
139.07671	1.7
143.32600	0.6
145.10229	5.4
147.08176	2.6
148.08914	0.7
149.06104	1.6
151.07686	0.8
161.09715	1.1
162.05455	0.7
163.11288	14.1
165.09160	0.8
167.08627	0.5
175.11298	1.3
183.11783	2.8
185.09679	1.9
189.12762	0.6
191.14706	0.6
193.08662	0.8
201.12852	4.5
207.10258	76.0
208.10585	4.8
217.12357	1.6
219.13818	1.6
234.23816	0.6
237.11342	0.9
237.14949	1.1
245.11780	2.4
263.12900	7.5
281.10709	4.0
281.13925	100.0
281.24796	2.1
282.11279	1.4
282.14276	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65224	0.5
55.01890	0.7
57.03439	4.2
57.60511	0.4
58.00596	1.2
59.01381	7.1
69.03457	1.2
69.77560	2.5
71.01375	3.5
71.04996	0.7
72.99281	0.8
73.02948	29.4
81.03468	0.9
83.05030	3.9
85.02952	1.9
87.00883	2.7
87.94704	0.4
89.02428	0.9
93.03448	0.7
95.05034	4.0
96.95992	1.9
97.02972	0.7
97.06609	3.2
98.03715	0.9
101.02438	1.9
103.67248	0.5
109.02995	0.8
109.06602	1.1
111.04511	3.4
111.08138	1.1
113.02427	0.8
113.06087	2.0
119.08663	1.3
120.05788	1.0
121.05778	1.0
121.06591	10.7
122.03759	0.9
122.06933	0.6
123.04535	0.7
123.08160	12.4
124.05302	1.4
133.02913	0.7
135.04523	1.6
135.08142	1.9
137.06125	1.3
137.09718	1.3
139.07657	3.3
145.10211	1.1
147.08148	0.9
149.06064	3.1
149.09685	1.1
150.06758	0.5
151.07655	1.0
153.09256	0.7
161.09711	0.9
161.13417	0.9
163.00429	0.6
163.07623	0.5
163.11278	7.6
164.11473	0.6
165.09172	0.6
169.10188	0.6
171.11778	5.5
175.11256	2.9
177.01944	0.7
177.12831	3.2
179.03471	0.9
182.05597	0.5
183.11813	2.1
185.09729	1.8
186.10515	0.8
189.12883	2.9
191.14380	1.3
193.12357	0.6
201.12845	11.4
202.13162	1.2
203.10770	0.5
205.12341	1.9
207.10271	20.3
207.13870	1.8
208.10538	1.5
209.11986	0.6
217.12373	1.2
219.13913	5.1
235.13373	1.1
237.03889	2.7
237.11235	0.8
237.14969	7.5
238.04633	1.6
238.26823	0.6
245.11935	0.7
263.12878	10.4
264.13254	0.9
265.03616	3.2
266.04132	37.9
267.04346	2.3
281.06696	19.2
281.13931	100.0
281.24777	1.9
282.03946	0.6
282.07233	1.9
282.11105	0.7
282.14264	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	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.82399	0.3
59.01373	0.8
59.53674	0.3
69.67788	0.3
69.68108	2.0
90.03903	0.3
95.22661	0.3
123.24593	0.3
131.63982	0.3
261.22375	0.5
269.82706	0.3
279.23306	100.0
280.23639	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	280.0617
Annotation	Aristolactam AIIIa
Peak:m/z	Relative Intensity
51.77063	0.1
59.01403	0.3
61.03103	0.1
71.01383	0.2
73.02991	0.4
83.05078	0.2
95.05083	0.4
97.06630	0.2
98.19832	0.3
101.02425	0.1
111.04566	0.3
113.06102	0.1
121.06660	0.4
123.08182	0.6
139.04324	0.2
139.07637	0.3
145.69083	0.1
149.06079	0.2
158.77330	0.1
163.11336	0.1
168.04620	0.4
171.11809	0.2
175.11406	0.1
181.05334	1.9
187.94495	0.1
189.12935	0.3
192.04607	0.4
193.05360	0.3
196.04034	0.3
201.12921	0.2
207.10350	0.4
207.13852	0.1
208.04080	0.5
209.04866	0.5
219.14063	0.2
220.04077	0.4
221.04796	0.3
236.03520	5.0
237.04297	5.6
237.14964	0.3
238.04601	0.3
244.06178	0.1
248.03685	0.1
264.03015	2.9
265.03802	100.0
266.04117	7.1
266.08359	0.1
279.23425	0.2
279.75668	0.1
280.06149	42.8
281.03461	0.2
281.06503	3.9
281.13925	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35892	0.6
55.01878	6.7
57.03451	5.7
58.00592	3.8
59.01381	100.0
60.01755	1.0
68.17929	0.8
70.86472	2.1
71.01384	87.5
71.05017	1.1
72.01705	1.0
72.97557	0.6
72.99312	4.4
73.02951	19.6
74.99107	0.7
75.00887	2.7
83.01392	10.5
85.02433	1.5
85.02956	31.0
86.03288	0.8
87.00861	4.1
87.04535	2.4
89.02449	57.2
95.01393	5.5
96.53163	0.7
97.02956	1.3
98.19797	0.8
99.00895	8.6
101.02448	64.8
101.06093	1.7
102.02786	1.5
113.02452	36.6
114.02808	1.2
119.03507	22.9
119.07135	7.6
124.77263	0.7
125.02483	1.4
131.03548	1.4
143.03503	4.7
149.04575	2.1
157.08276	0.8
159.02985	5.4
161.04565	37.1
162.05002	0.9
179.05611	4.3
221.06676	1.2
281.08875	15.9
281.12466	37.6
282.09540	0.8
282.12869	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.60608	0.5
61.72788	0.5
69.63231	3.4
141.37222	0.4
176.10312	0.5
230.78787	0.5
279.23294	100.0
280.23651	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	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.08645	0.2
57.53765	0.3
59.01386	0.6
67.72006	0.2
71.42158	0.3
71.62263	0.3
73.08451	0.2
73.62221	0.3
80.71858	0.2
81.15296	0.2
96.96027	0.3
115.31403	0.3
115.92125	0.3
134.89479	0.5
136.89209	0.5
236.06990	0.3
243.79134	0.5
261.22192	0.6
279.23291	100.0
280.06235	0.5
280.20581	0.5
280.23642	8.9
280.94571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04617	0.3
57.03456	0.3
59.01370	1.0
66.69735	0.3
68.38101	0.3
71.01369	0.4
71.64376	0.4
72.31068	0.3
74.03394	0.3
74.39045	0.3
75.00885	0.5
75.02477	0.2
96.96004	1.6
100.99644	0.2
109.02934	0.3
111.05630	0.3
167.00107	0.4
191.03409	0.3
193.05270	0.4
199.11182	0.4
217.12312	0.4
234.10405	0.5
235.10045	4.2
235.13078	0.4
252.06586	0.6
261.22189	0.4
266.93509	0.3
276.16147	0.3
279.12543	1.4
279.16492	6.2
279.23291	100.0
280.06195	0.9
280.12967	0.3
280.16782	0.6
280.23633	8.7
283.70660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.03452	0.3
59.01374	1.2
67.02467	0.3
67.34341	0.3
71.01364	0.5
71.31529	0.3
71.31857	0.4
77.52435	0.3
78.54769	0.3
80.53741	0.3
96.96005	2.1
127.24860	0.3
137.02457	0.3
234.68852	0.4
261.22281	0.4
279.16577	2.5
279.23300	100.0
280.06168	0.7
280.23645	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01367	1.3
71.01387	0.5
72.99301	0.6
96.96011	0.8
98.19850	0.9
109.02926	0.3
135.00732	0.3
163.00423	0.4
164.53775	0.3
173.73390	0.3
175.11267	0.3
187.11104	0.3
199.11243	0.8
217.12315	0.5
219.02873	0.4
243.79062	0.4
261.11237	0.4
276.70157	0.3
279.12750	2.1
279.23276	100.0
280.06030	0.5
280.23630	8.7
287.45840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1968
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
56.03728	1.2
57.03449	1.7
59.01373	8.1
67.91121	1.2
69.92557	1.2
71.01392	4.0
72.99309	2.4
73.02946	1.8
83.05020	3.3
85.02964	2.1
93.03467	1.8
95.05032	1.6
97.06600	2.1
107.08675	41.7
108.23811	1.3
111.04526	1.4
121.06549	1.3
122.03767	1.5
123.04513	3.0
123.08186	1.3
123.67722	1.3
124.88290	1.6
127.11322	2.3
130.37715	1.2
163.07631	1.5
163.14944	2.6
171.10281	89.5
172.10585	2.9
173.09735	1.3
175.11263	1.9
185.11795	4.8
191.10857	3.6
199.11252	4.8
213.09184	1.3
217.12389	4.0
217.19580	7.7
219.02869	2.1
235.16977	2.1
235.20714	2.4
251.16595	1.5
252.06662	5.1
261.11319	2.9
261.18600	100.0
262.18948	7.8
279.12408	19.4
279.16177	4.6
279.19647	77.4
279.23193	15.4
280.06134	5.7
280.12897	1.6
280.15997	1.4
280.20004	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	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01376	0.9
60.70005	0.3
62.83654	0.3
67.05548	0.3
69.03462	0.8
71.01356	0.4
79.05531	0.7
81.03471	0.5
83.05029	1.9
84.02164	4.3
85.02953	1.3
90.98606	0.4
93.03418	0.5
95.01411	0.4
95.05022	1.4
96.96014	0.4
97.02964	0.9
97.06584	1.0
98.75135	0.4
99.04516	0.5
107.05041	1.7
109.02969	1.4
109.06591	0.6
111.04523	6.3
119.05032	1.0
119.08674	2.8
121.02988	0.4
121.06601	5.4
122.03753	0.5
123.04525	3.5
123.08144	0.5
123.68143	0.3
125.06049	0.5
133.06549	0.6
135.04529	3.2
135.08145	0.9
137.06091	1.4
139.07649	1.3
145.06490	0.4
147.08189	1.1
147.11850	1.6
148.05263	0.4
149.06085	13.9
149.09752	0.4
150.06427	0.4
151.07620	0.4
151.11270	0.7
157.10229	0.7
158.07462	0.5
159.08098	0.6
161.09705	0.3
163.07643	1.0
165.05504	0.3
165.09192	0.7
167.07104	0.8
171.08192	0.9
171.11761	0.4
173.06099	0.8
173.09706	4.0
174.06911	0.9
175.07549	0.3
175.11290	6.4
176.11548	0.4
177.01587	0.3
183.08141	7.1
184.08974	3.4
185.09724	5.0
187.07652	15.9
187.11230	0.6
188.08063	1.6
189.09178	0.8
189.12868	1.0
191.10797	6.2
192.10970	0.4
197.09741	0.7
199.07674	0.8
199.11272	6.4
200.11664	0.5
201.09242	3.2
202.09996	2.2
216.07962	2.5
217.12331	38.0
218.12675	3.0
219.10361	0.5
220.11024	0.7
229.67628	0.5
235.09737	5.7
235.13394	2.0
236.10156	0.8
243.10342	0.4
252.06915	0.4
261.00388	0.4
261.11292	2.3
279.12375	100.0
280.06140	1.0
280.09714	0.4
280.12701	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	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72087	2.4
51.92529	2.2
52.18027	2.3
57.03453	8.5
58.22758	2.6
59.01379	11.9
60.60632	2.2
69.03448	5.8
70.40781	9.1
71.01384	4.6
72.99313	5.1
83.05037	73.8
85.02966	3.4
93.03456	4.6
97.02975	3.3
97.06576	3.6
104.49468	2.5
104.59293	2.3
107.05040	3.0
107.08672	3.1
109.02949	3.0
111.04535	4.1
116.36879	2.8
121.06639	3.0
123.04520	4.6
123.08220	3.3
133.06602	3.3
133.10240	8.4
135.08162	8.1
140.55476	2.2
147.04430	3.2
147.08176	9.0
159.11804	7.5
163.07722	6.1
169.10201	4.9
173.09753	4.8
173.13388	3.8
175.11295	3.6
181.10175	3.0
185.13339	16.7
187.11243	8.0
188.12000	2.6
188.27747	2.6
189.12782	2.7
191.10783	3.7
191.14360	3.3
199.11288	12.4
201.12819	6.4
203.14404	100.0
204.14780	5.2
207.13895	2.5
217.12340	12.7
217.15866	12.2
218.95537	2.6
219.02960	2.7
229.12334	13.3
235.13394	8.9
235.17105	16.7
243.10257	3.1
247.13387	46.6
249.07419	2.6
252.06644	13.9
261.11218	4.1
261.18597	7.6
279.05750	4.0
279.09143	5.4
279.12378	42.9
279.15979	30.9
279.19656	43.2
279.23245	27.4
280.06216	16.0
280.12943	3.4
280.16211	5.4
280.19711	4.4
280.23517	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	279.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
63.23799	0.4
64.07308	0.4
69.35564	0.8
69.35970	2.9
72.99314	100.0
73.99656	1.2
75.00872	1.8
83.05029	0.8
95.05030	1.1
108.02171	1.0
110.08791	0.4
121.06614	0.5
123.04531	6.7
128.09798	0.4
133.10204	0.9
149.09700	0.4
159.11797	0.9
163.07610	2.3
165.09137	0.6
169.51488	0.4
171.11852	0.5
173.13423	0.5
177.27951	0.5
187.11325	0.6
189.12863	1.7
191.14438	1.0
191.22894	0.4
199.11211	0.6
203.10843	1.5
205.12344	20.2
206.12625	1.5
217.12386	2.0
233.11888	1.2
235.13397	4.9
279.12390	82.8
280.12781	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	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12312	0.6
55.01863	0.9
57.03456	4.5
59.01377	7.7
69.03429	1.6
71.01384	1.4
71.05026	0.9
71.62306	0.9
73.02940	0.8
76.94984	0.7
79.77530	0.7
81.03432	2.8
83.01378	0.8
83.05023	8.4
84.88543	0.7
85.02972	4.5
85.31645	0.8
95.05019	1.6
97.06586	3.0
98.03752	1.1
99.04529	5.2
105.07079	1.0
107.05027	1.5
109.02950	0.9
109.06594	2.0
111.04522	1.6
119.08672	2.3
121.06593	2.1
122.03747	2.7
127.03996	5.5
129.16476	0.7
133.06618	5.5
135.08113	1.2
136.05254	1.6
137.06114	4.4
139.07666	1.5
145.06575	1.4
147.08150	2.0
147.11752	1.1
151.07622	2.8
157.10237	3.2
159.08124	1.4
160.08900	1.1
161.09724	2.8
161.52505	0.7
169.06384	0.8
169.10255	1.4
171.11754	1.0
173.09727	4.3
173.13260	0.9
175.07594	2.6
175.11276	19.1
176.11551	1.1
179.08650	1.3
180.96352	0.8
181.10233	5.9
183.08235	1.3
187.11273	1.2
189.12845	3.6
191.14439	1.4
199.11275	16.1
200.08524	0.9
201.09172	2.5
202.09938	1.9
215.10741	1.3
217.12334	30.3
218.12637	1.0
235.13371	18.4
236.13689	1.3
243.10236	6.6
261.11374	6.6
279.12378	100.0
280.06174	1.5
280.12738	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	279.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	6.3
58.00596	4.5
58.73202	1.0
59.01376	2.8
68.99831	1.2
69.03455	8.7
71.01037	1.8
71.01392	17.2
71.63290	1.4
74.76108	1.0
81.03471	1.3
83.05059	3.1
85.02968	1.5
89.06976	1.1
95.05018	1.4
97.02956	3.3
99.04545	2.2
106.04208	1.6
107.05020	1.9
107.08662	1.1
108.59594	1.3
109.02962	7.6
111.04495	1.8
113.75632	1.1
117.07130	2.3
119.08661	3.3
121.06613	2.7
122.03770	2.0
123.04523	1.5
123.08173	7.9
125.06048	1.8
133.06590	12.9
135.08170	2.6
136.05289	1.4
137.06087	5.2
137.09709	1.6
141.07132	1.8
143.08662	7.9
145.10242	3.7
147.08159	4.9
147.11819	3.5
149.09721	3.0
151.07658	2.9
153.07124	1.8
155.08711	9.1
156.05800	1.5
156.27213	1.1
157.06590	2.3
157.10286	1.6
158.07333	1.6
159.08141	3.5
159.11787	4.3
161.09795	1.5
163.11307	2.7
165.05600	2.5
167.07150	6.8
167.08521	1.8
169.06580	9.5
169.10252	13.7
170.07358	1.9
171.08173	9.5
171.11787	17.0
172.08981	14.0
173.06087	1.6
173.09715	16.3
175.07718	1.7
175.11293	9.3
181.06616	1.5
181.08746	2.4
181.10225	17.7
182.10522	1.4
183.08154	31.0
184.08920	9.4
185.09729	13.3
186.10141	1.8
187.07712	2.0
187.11296	39.7
188.11617	3.8
189.09264	1.5
189.12866	19.7
191.10783	18.9
195.08221	1.8
197.09734	9.6
198.06792	2.1
199.07602	4.9
199.11285	100.0
200.08348	2.7
200.11607	8.8
201.09218	5.8
202.10011	6.1
211.07625	3.9
213.09224	25.4
214.09628	1.8
215.10750	14.4
217.08923	2.3
217.12329	42.2
218.12695	3.1
219.10312	3.2
225.09256	10.6
228.07817	2.5
233.11780	5.5
235.09785	6.8
235.13322	2.2
243.10240	30.3
244.10719	2.8
261.11322	60.5
262.11624	5.0
279.12384	79.2
279.23297	2.4
280.12802	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	279.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	98.4
58.72464	2.4
59.01376	13.7
63.16273	2.3
63.96711	2.4
69.03461	5.4
70.26195	5.5
70.26580	8.8
71.01395	3.2
71.05035	2.9
72.39023	2.5
78.32162	2.2
79.93671	2.3
81.07105	5.1
83.05031	7.5
95.05035	9.0
97.02940	4.4
98.20508	5.0
99.04481	3.1
101.06080	2.8
104.62650	2.5
107.08630	2.5
109.06588	9.9
109.07272	2.7
119.08647	3.5
119.85150	2.5
121.06581	5.8
121.10255	5.1
123.08166	10.1
133.06621	3.3
135.08205	5.5
137.06097	16.1
147.08121	4.1
153.05594	23.0
159.80229	2.5
163.11389	5.2
165.09169	5.5
167.07150	3.4
173.09778	3.8
173.13367	79.8
174.13683	6.2
175.11299	27.2
181.10222	4.4
191.06870	2.6
191.10625	3.0
191.14407	27.2
193.12299	5.5
194.43510	2.7
199.11249	9.5
207.10187	5.7
210.75616	2.9
217.12331	21.5
219.02988	3.4
234.37579	3.4
235.13400	100.0
236.13617	6.3
237.11296	15.3
241.09337	2.9
249.11060	3.1
252.06767	3.0
261.11227	11.6
279.09225	5.4
279.12415	70.7
279.15723	7.0
279.23318	14.3
280.06131	6.5
280.12701	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	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69824	0.4
57.03438	1.8
59.01368	1.1
66.20908	0.4
69.03448	0.7
73.02932	0.4
79.05537	0.4
81.03470	0.5
83.05031	1.8
84.02180	4.5
85.02959	1.3
93.03457	0.5
95.05041	1.8
97.02948	1.1
97.06598	1.1
99.04535	0.9
107.05041	2.2
109.02956	1.1
110.52755	0.4
111.04526	6.4
119.05047	0.6
119.08659	2.9
120.05882	0.5
121.06609	5.8
123.04543	3.7
133.06561	0.7
135.04565	2.0
135.08148	0.7
137.06090	1.7
139.07643	1.5
147.08160	0.8
147.11777	1.5
148.05220	0.8
149.06097	13.8
149.09706	0.7
150.06418	0.5
152.78891	0.4
157.10242	0.6
158.07370	0.7
159.08150	0.6
161.09714	0.5
162.06958	0.4
163.07658	0.7
163.11302	0.7
165.09215	0.5
167.07092	0.8
171.08173	0.8
173.06139	0.9
173.09718	4.5
174.06824	1.0
174.10197	0.4
175.11298	6.4
176.11472	0.4
181.10159	0.7
183.08159	6.4
184.08900	3.5
185.09714	5.5
187.07660	16.2
188.07985	0.8
189.12904	1.2
191.10808	6.1
197.09810	0.4
199.07634	0.6
199.11269	7.1
200.08508	0.6
201.09239	2.4
202.10028	2.2
216.07927	3.2
217.12346	38.6
218.12650	2.2
235.09770	5.7
235.13335	1.9
261.11307	2.3
279.12390	100.0
279.23218	1.1
280.06158	0.9
280.09583	0.5
280.12741	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	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67604	1.8
54.56798	1.9
55.01897	2.1
57.03446	18.4
59.01374	3.5
60.58461	2.6
62.09311	2.1
64.15112	2.3
69.51485	15.2
71.05013	2.8
75.32332	1.9
83.05032	21.0
95.49591	2.0
98.19872	4.0
99.04530	14.8
105.07107	16.9
107.05027	2.8
109.06589	4.4
115.85707	2.0
117.07094	8.8
121.06567	6.5
123.08140	2.9
134.07396	2.1
135.08133	10.8
149.06062	2.0
149.09692	8.7
157.10233	3.3
161.06096	3.0
161.09747	16.4
161.13400	13.2
165.11914	1.9
173.13353	93.5
174.13712	5.2
175.11266	3.5
181.10222	2.5
187.11200	3.8
191.14432	14.2
199.11249	10.3
205.12294	11.7
213.00531	2.1
217.12329	35.2
228.35527	2.3
235.13382	100.0
236.13716	5.4
249.11487	2.4
261.11215	4.8
279.12390	51.3
280.12741	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	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01875	0.6
58.00588	1.5
59.01380	46.4
60.01717	0.8
71.01385	24.0
71.05035	5.1
71.38102	0.9
72.99303	1.9
73.02942	0.9
75.06611	0.5
83.01395	1.8
85.02955	5.0
87.00885	1.8
89.02445	27.6
95.01402	1.3
99.00869	0.8
99.04523	20.4
101.02448	17.4
113.02456	10.6
113.06004	0.5
117.05581	29.8
118.05954	0.8
119.03504	11.4
120.99645	0.7
121.57130	0.6
123.25143	0.6
131.03500	0.6
142.29330	0.5
143.03488	1.4
149.04515	0.9
159.06651	2.2
161.04561	0.8
179.05589	1.6
196.85088	0.6
234.81682	0.5
239.97745	0.5
241.09169	1.0
266.50461	0.6
279.10849	100.0
279.23135	3.5
280.11234	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27913	0.4
55.17590	0.4
59.01382	2.7
62.65491	0.4
69.81104	1.0
69.81514	1.5
71.01374	1.2
74.10986	0.5
81.61672	0.4
83.05041	1.1
85.02991	0.5
89.66159	0.5
121.02940	0.7
135.04570	0.6
207.06779	0.4
215.10812	1.0
219.79092	0.5
233.11763	1.3
233.19089	0.8
259.20862	0.7
275.19852	0.6
277.10907	1.8
277.18304	6.8
277.21719	100.0
278.18716	0.9
278.22031	8.7
285.19016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
64.92735	0.4
71.01393	0.4
71.45999	0.6
76.49651	0.3
127.07618	0.5
140.77295	0.3
233.18910	0.4
233.22710	0.4
259.20667	0.8
275.20059	0.5
277.21719	100.0
278.22076	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.93697	0.3
55.65342	0.3
59.01385	4.7
69.37045	0.3
71.01385	0.4
71.27365	0.3
71.82412	0.3
83.05015	0.5
105.73285	0.4
121.03223	1.6
146.99400	0.4
147.08482	1.8
165.00444	4.6
191.05635	4.2
205.07208	0.6
205.15926	0.9
215.10794	0.5
231.08624	0.5
233.10329	35.3
233.18961	0.6
233.22777	0.9
234.10442	3.1
259.15479	0.5
259.20676	0.9
275.20203	0.7
277.16647	28.8
277.21692	100.0
278.04395	0.6
278.16806	2.8
278.22021	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	278.0458
Annotation	Kalbretorine
Peak:m/z	Relative Intensity
50.82912	0.2
57.63361	0.2
69.54219	1.2
83.94183	0.2
98.20599	0.4
108.02174	0.3
119.05024	0.2
152.05096	0.4
156.41347	0.2
161.38275	0.2
164.05089	0.5
166.06662	1.3
168.04558	0.6
170.06061	0.2
176.05072	0.6
177.05862	0.4
178.06604	0.8
181.05168	0.2
192.04541	2.9
193.05194	0.3
194.06100	7.1
195.06465	0.5
196.04004	0.3
204.04407	0.2
205.05330	1.6
206.06125	1.3
209.70367	0.2
220.03998	2.7
221.04800	5.9
222.05586	11.1
223.05984	0.7
233.04807	0.5
234.05603	1.8
236.03511	0.4
238.05084	0.5
240.06575	0.4
242.38800	0.2
248.03528	7.2
249.04300	19.4
250.05072	59.3
251.05399	4.5
276.03009	4.5
277.03601	0.5
278.04565	100.0
279.04913	7.4
279.12384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
59.01369	1.2
60.76872	0.8
69.68222	3.4
75.09370	0.7
83.05024	1.7
95.05029	1.0
97.02942	1.5
97.06579	1.1
98.19929	1.3
107.31897	0.9
108.02183	1.2
109.02994	0.9
109.06579	1.2
119.08653	0.7
121.06610	1.1
122.03712	1.3
123.04496	1.3
124.05329	2.7
125.06079	0.8
137.06084	1.4
139.07671	9.6
139.50008	0.7
147.08130	1.1
147.11807	13.1
148.12169	0.9
161.09720	0.8
163.11302	3.1
165.09200	0.8
168.07938	2.2
173.03111	0.8
173.09593	0.8
175.11281	1.2
187.11310	1.6
191.10779	100.0
192.11130	6.4
194.66721	0.7
205.12273	3.5
217.12390	1.6
235.09767	17.0
235.12265	0.8
235.13368	1.9
236.10086	1.1
239.25568	0.8
261.11407	1.3
279.05908	1.1
279.08798	5.5
279.12381	22.5
280.06271	1.0
280.12720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0877
Annotation	Euparvic acid
Peak:m/z	Relative Intensity
51.80355	1.1
57.03438	5.0
59.22075	0.9
69.03449	1.9
69.99918	5.5
71.01382	1.9
79.05531	2.2
81.03495	1.1
83.08134	1.0
95.05023	3.2
97.06587	3.0
97.69269	1.2
98.19952	1.5
108.02198	2.7
110.14244	1.1
111.04522	2.3
119.08668	4.2
121.06583	2.8
123.04536	48.1
126.36440	0.9
139.03966	2.1
145.10161	1.2
147.08263	2.0
147.11813	23.5
148.12100	1.6
149.06151	1.7
163.07701	1.6
165.09169	6.8
168.49397	1.1
169.10159	1.1
173.09776	5.8
173.13280	1.8
175.11398	1.8
189.12846	1.2
191.10791	86.8
191.14394	2.6
191.35359	1.5
192.11020	5.2
199.11229	2.7
202.10013	4.3
205.12459	1.6
210.91891	1.0
217.08707	8.4
217.12230	7.0
220.10983	2.1
235.09776	100.0
235.13278	19.1
236.10054	6.4
236.13741	1.3
261.11429	2.4
279.08731	41.3
279.12311	30.5
279.23264	1.2
280.09052	3.1
280.12558	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	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.39639	0.4
59.01376	1.7
70.39295	1.7
71.01393	0.6
97.81993	0.4
187.21696	0.5
205.15993	0.5
233.22682	0.7
259.20755	0.6
263.68430	0.5
277.21725	100.0
278.22076	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.50305	0.4
57.00760	0.4
57.78906	0.4
59.01381	1.0
70.95599	0.9
70.95955	0.5
84.63503	0.4
141.80341	0.4
209.00002	0.4
223.28285	0.4
233.22792	1.2
252.38672	0.5
271.93317	0.4
275.59344	0.4
277.21716	100.0
278.22040	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.07591	0.4
59.01373	1.3
68.84311	0.4
69.89960	2.0
78.08367	0.4
78.22731	0.4
93.51069	0.4
98.20541	0.5
127.07606	0.4
142.34953	0.4
164.35739	0.4
173.95337	0.4
233.22728	0.6
277.21719	100.0
278.22037	8.7
278.24826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1659
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
56.61413	0.3
57.03489	0.3
59.01130	0.4
59.01447	3.6
60.97580	0.6
71.62476	0.5
74.09073	0.3
74.41468	0.3
75.96288	0.5
87.02795	0.4
103.02270	0.7
104.94733	0.6
121.03274	5.1
123.04609	0.6
135.08182	0.3
137.81613	0.3
146.99406	0.7
147.08467	5.3
147.09477	0.4
149.01001	0.5
165.00449	13.1
166.00511	0.8
181.00018	1.0
183.01382	0.4
186.50304	0.3
189.02701	0.3
189.04103	1.8
191.05652	11.5
192.05847	0.7
205.07101	1.6
205.16008	1.3
207.05135	1.0
215.10823	0.9
217.07169	0.3
231.08794	1.6
233.10332	100.0
234.10487	9.2
236.48131	0.3
241.79352	0.5
246.51735	0.3
259.15466	1.0
277.16553	86.3
277.21429	28.7
278.16724	8.6
278.21600	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	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.03444	0.5
59.01392	2.0
70.20237	1.4
71.01383	1.1
83.05030	0.3
85.02947	0.3
94.98167	0.3
97.06595	0.4
102.84917	0.3
115.01249	0.3
117.86488	0.3
163.07651	0.3
173.06180	0.4
205.15996	0.4
215.10805	0.6
216.39774	0.3
222.05205	0.3
230.71182	0.3
233.11844	0.8
233.19106	0.7
233.22736	0.4
250.05052	0.5
259.20663	0.4
275.20279	0.7
277.10889	1.2
277.18347	5.3
277.21719	100.0
278.04578	0.5
278.18896	0.5
278.22067	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	277.1445
Annotation	4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester
Peak:m/z	Relative Intensity
53.15897	1.4
57.03451	13.9
59.01367	3.9
63.90078	1.5
69.03455	5.9
71.01385	1.8
71.05014	2.1
71.62595	1.5
79.05518	5.0
83.05010	5.5
85.02950	3.4
87.00862	12.0
91.52409	1.7
91.86935	1.7
95.05041	2.1
97.02943	3.0
97.06597	1.8
99.00857	5.1
99.04531	2.1
107.05037	11.9
108.65919	1.5
109.02946	1.8
110.03729	3.8
111.04519	1.9
111.08129	1.9
117.01936	14.4
119.05018	2.9
121.02962	2.9
121.06583	3.7
123.04542	2.6
123.08138	4.8
131.08652	21.5
133.06558	2.7
135.04482	3.4
135.08147	3.4
135.21263	1.6
137.06139	1.7
146.08237	3.6
147.08176	3.0
148.20195	1.8
149.06068	2.6
149.09715	17.5
159.08125	1.8
159.11797	2.6
161.09769	1.8
173.09715	1.9
173.67969	1.5
175.07658	4.3
175.11310	1.7
177.12866	3.6
185.13316	4.6
187.11259	2.3
189.09148	3.0
189.12762	2.0
201.12828	12.3
203.07144	13.1
215.10686	3.6
215.14291	2.3
217.08603	3.0
218.09399	1.7
219.06706	1.8
219.13898	100.0
220.14209	5.0
229.12314	20.6
231.13853	5.7
233.11763	14.9
233.15436	1.7
234.12274	1.7
235.13461	3.0
247.13478	2.1
259.10016	1.5
259.10974	1.8
259.13394	14.7
277.10800	37.0
277.14417	32.0
277.18399	2.7
277.21701	58.7
278.04712	1.7
278.10995	2.0
278.14914	2.3
278.22055	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	277.1082
Annotation	(+)-Juricanolide
Peak:m/z	Relative Intensity
50.43316	0.5
59.01358	1.6
65.03944	1.7
67.07018	0.5
68.99826	0.7
69.03445	1.1
70.38131	1.3
70.38533	0.8
71.01385	1.1
71.05017	0.6
79.01852	0.6
81.03465	4.8
83.05029	2.1
85.02962	0.8
89.02444	0.6
96.95995	0.6
97.02961	1.2
98.20515	0.6
99.04501	0.6
101.02438	0.7
107.05037	0.8
108.02187	5.1
109.02961	22.0
109.06609	3.3
109.88716	0.5
110.03336	0.6
111.04531	1.3
115.04025	0.6
119.08590	0.9
121.06595	5.2
123.04536	0.8
123.08150	3.1
124.01674	1.4
125.99562	1.1
135.08148	0.8
137.06102	0.6
146.08226	1.3
147.04539	0.7
149.06018	0.5
152.01166	23.3
153.01474	1.0
159.08138	1.1
161.09709	0.6
163.07625	1.2
171.08194	0.7
171.11789	1.6
175.07681	0.6
187.11337	1.5
189.09251	0.9
189.12827	2.8
191.10822	0.8
197.06093	0.8
205.12357	3.6
215.10741	4.1
217.08707	0.7
233.11848	15.8
233.15408	1.0
234.12186	1.0
241.09172	1.2
243.28935	0.5
250.05067	0.7
277.10815	100.0
277.21609	7.4
278.04663	1.0
278.11182	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.108
Annotation	(+)-Juricanolide
Peak:m/z	Relative Intensity
51.83244	0.6
55.01859	0.7
57.03435	1.2
59.01388	5.8
59.33982	0.6
68.99792	0.8
69.03436	2.0
72.26298	0.8
83.01384	1.4
93.03427	0.6
95.04987	0.7
97.02957	3.1
101.02427	0.6
107.04995	1.1
107.08671	0.7
109.02956	1.3
111.04459	0.7
117.86747	0.7
121.02956	1.2
121.06602	1.0
122.03862	0.7
123.04542	5.0
124.01669	6.5
125.06015	0.7
127.71983	0.7
133.06598	1.1
135.04518	1.5
135.08170	5.8
144.05879	0.7
146.58878	0.7
149.06137	0.8
152.01170	8.1
153.05574	1.9
157.06549	0.8
161.06075	3.1
161.09714	1.1
163.07574	1.0
165.05637	1.3
166.99869	1.1
167.07164	0.9
169.06616	1.7
171.08087	1.1
171.11642	0.7
172.05302	0.8
173.09700	4.1
175.04010	0.8
175.07654	2.5
176.08475	0.9
177.09146	0.8
179.07271	1.0
181.06610	1.3
182.07370	1.3
184.05325	0.7
185.06061	3.1
187.11292	1.3
189.09293	1.1
190.09950	2.1
191.10762	4.0
195.08110	0.9
197.09698	4.9
200.08386	5.1
205.08745	0.7
205.12257	0.8
215.10771	5.2
217.08669	1.9
218.09398	2.4
222.08989	13.1
223.09192	1.1
233.11836	100.0
234.12158	5.8
235.09665	1.2
239.98128	0.6
241.08714	10.0
249.11191	0.9
259.09760	6.8
277.10849	86.6
277.21686	3.9
278.11224	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	277.1082
Annotation	8beta-Hydroxyeremophil-7(11)-ene-6alpha,15
Peak:m/z	Relative Intensity
56.93022	1.9
57.03445	7.4
59.01366	5.6
60.11273	1.5
69.03451	4.0
69.29224	1.6
71.01377	3.6
71.05026	3.7
74.14493	1.8
79.05521	1.7
83.05025	4.9
83.95272	1.5
85.02953	2.2
92.81729	1.8
95.05016	2.8
97.02958	3.5
101.02447	4.1
105.07134	1.7
107.05041	2.2
108.02230	1.9
119.04993	1.9
119.08648	1.8
121.06597	3.4
123.04509	5.8
131.13998	1.6
133.06607	2.0
135.08156	6.0
137.06068	3.1
147.11798	6.5
149.06087	3.2
159.08038	2.3
159.09204	1.8
161.09712	4.7
162.64844	1.6
163.07567	2.0
171.11804	67.0
172.12132	5.8
173.09671	4.1
187.11266	5.2
189.12863	44.6
190.13214	4.5
191.10745	13.5
197.09671	2.0
200.08398	1.8
205.12479	4.0
215.10760	17.7
222.08937	2.8
233.11826	100.0
234.12137	9.4
241.08894	1.7
259.09769	3.3
277.10840	44.2
277.14072	2.8
277.18948	2.3
277.21634	12.8
278.04532	3.3
278.11200	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	277.108
Annotation	(+)-Juricanolide
Peak:m/z	Relative Intensity
51.10550	0.9
55.90306	0.8
57.03437	2.8
59.01379	10.1
68.99789	1.2
69.03451	3.0
69.51158	1.8
69.51565	5.8
71.01388	1.4
78.69833	1.1
81.03447	1.2
84.11614	0.8
85.02953	1.3
97.02959	2.9
98.20586	2.1
101.02470	1.2
109.03015	1.9
121.06557	0.9
123.04525	4.8
124.01678	6.8
125.02437	2.0
131.57362	0.9
133.06638	2.3
135.04549	1.9
135.08153	4.3
137.06076	0.9
152.01180	6.4
153.05586	1.1
161.06065	3.1
161.09653	1.2
165.05582	2.0
166.99854	1.7
168.00768	1.7
169.06578	2.3
171.08119	1.2
171.11774	1.2
173.09709	3.5
175.07652	1.6
179.07251	1.4
182.07422	1.5
185.06075	2.9
190.09982	2.9
191.10793	3.8
197.09732	5.4
199.07639	1.0
200.08412	6.0
203.07169	1.2
205.12459	1.2
215.10774	10.3
216.11081	0.9
217.08704	1.4
218.09528	1.8
222.08977	15.8
233.11821	100.0
234.12231	7.4
235.09821	1.7
241.08734	11.7
242.09114	1.3
249.11330	1.1
259.09805	7.7
277.10815	83.4
277.21548	5.6
278.04675	1.3
278.11188	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	277.1082
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
51.74265	1.5
52.90733	1.2
57.03445	5.4
59.01379	2.2
60.99300	5.3
71.01386	3.8
71.05014	2.0
71.63546	1.7
71.63970	1.5
73.02937	3.5
78.39817	1.6
79.05560	1.6
81.03453	1.6
83.05032	3.8
85.03018	1.7
93.07099	3.9
97.02914	3.4
97.06580	1.9
99.04496	2.5
101.02430	3.5
107.05003	4.2
107.08648	2.3
109.06580	4.6
111.04523	2.0
121.06584	3.7
123.04520	16.6
125.06064	2.0
128.46735	1.5
133.06573	4.0
135.04535	6.2
135.08162	2.9
137.06047	3.5
146.24277	1.4
147.08128	2.2
152.03595	1.5
153.05588	11.3
155.08662	2.2
159.08093	2.5
161.09737	2.5
163.07689	3.4
169.10228	5.3
171.11783	37.0
172.12163	3.1
173.09726	3.4
175.07631	3.3
177.09177	2.7
187.11305	11.2
189.09204	2.2
189.12839	8.6
191.10716	2.0
197.09679	4.0
200.08473	3.0
203.10741	1.6
205.12337	2.4
209.41309	1.5
215.10750	59.9
216.11102	2.6
218.09386	2.0
233.11845	20.6
241.08992	1.9
259.09772	5.4
267.68744	1.5
277.10791	100.0
277.21701	9.6
278.04535	2.1
278.11090	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	277.1083
Annotation	8beta-Hydroxyeremophil-7(11)-ene-6alpha,15
Peak:m/z	Relative Intensity
57.03448	16.0
59.01369	5.5
69.03457	3.9
69.45394	2.2
71.01378	3.3
71.05003	2.1
72.87682	2.2
79.05546	12.9
79.55620	2.5
81.03465	3.8
83.05032	30.9
91.99647	2.1
93.07113	3.3
97.02929	4.5
99.04518	10.6
105.07105	8.5
107.05024	4.0
111.04508	7.7
111.26978	2.1
119.05055	5.9
119.08693	2.5
121.02943	5.0
121.06598	6.6
122.03720	2.9
123.04563	3.8
123.08146	8.5
131.08607	5.6
133.06567	9.9
133.10170	3.9
135.04503	3.3
135.08156	7.8
136.05301	2.4
145.06567	3.1
146.08276	2.8
148.05240	3.2
149.06049	5.6
149.09697	15.5
150.06830	7.9
155.08656	2.7
159.04398	3.3
159.08116	7.3
161.06059	3.2
163.07553	6.0
169.10097	2.7
171.08171	3.0
171.11815	19.5
173.09676	5.5
174.10481	4.0
175.07648	38.3
177.09215	25.6
178.09578	3.0
187.11314	13.1
189.09210	5.9
189.11121	3.9
189.12843	80.0
190.13173	5.7
197.62154	2.2
200.08447	7.7
203.10837	2.4
205.12312	26.2
206.12695	2.5
215.10768	31.5
218.09462	23.4
219.06622	3.9
222.08972	3.3
233.11833	100.0
234.12039	6.6
247.55534	2.3
248.09579	2.2
259.09634	3.2
277.10788	40.2
277.14447	6.1
277.17993	2.8
277.18649	2.8
277.21661	16.1
278.04382	2.8
278.11240	4.0
282.71741	2.5
296.27399	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	277.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
58.02978	31.3
59.01378	10.3
71.01394	8.0
71.29416	2.4
72.99310	1.3
73.02949	1.9
74.02489	1.4
74.99095	1.3
79.95725	1.3
84.04552	24.9
85.02986	1.7
86.02479	1.8
88.17352	1.0
89.02435	8.0
92.05061	39.1
93.05390	1.5
96.95988	1.2
96.96960	2.9
99.14144	0.9
101.02451	11.2
108.04519	1.7
109.02946	2.3
113.02441	1.5
115.03994	1.2
116.05109	2.1
118.03046	1.2
118.06675	2.2
119.03493	2.5
120.04558	12.8
120.99678	3.7
121.02921	1.4
124.49054	1.1
125.02447	2.3
128.03543	100.0
128.05078	3.0
129.03854	1.1
130.06635	3.7
131.03761	5.6
136.04062	1.2
137.02446	2.4
144.04559	26.6
145.04855	1.7
145.06587	1.3
146.02481	15.8
146.06122	13.6
146.77133	1.0
147.01234	3.5
147.03276	1.7
148.04047	73.4
149.04449	4.6
150.93848	0.9
161.04501	1.2
162.05637	2.0
172.04095	1.6
173.07201	19.8
174.05609	4.1
185.67154	1.0
190.05090	4.8
191.08339	1.2
215.08252	35.7
216.08580	1.5
217.06253	1.1
233.09393	2.7
234.55409	1.2
235.07228	3.4
241.09293	10.2
259.07336	10.0
259.26218	1.0
277.03995	1.5
277.05008	1.9
277.08316	34.5
277.21719	11.2
278.03818	1.6
278.08646	1.5
291.29468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1082
Annotation	8beta-Hydroxyeremophil-7(11)-ene-6alpha,15
Peak:m/z	Relative Intensity
57.03451	9.0
59.01387	13.2
60.99299	2.1
67.01895	3.7
69.03439	4.2
71.01379	4.5
71.05019	1.5
71.64969	2.8
73.02943	1.5
79.05555	1.6
83.02524	1.4
83.05027	3.2
85.02955	28.1
95.05007	3.4
97.02930	1.9
97.06605	3.1
97.24096	1.6
101.02453	2.1
107.04993	2.7
108.02162	5.1
109.06578	3.6
110.09545	1.5
111.04532	3.0
119.08656	1.9
121.06611	10.5
123.04530	70.3
124.04852	1.5
133.06511	1.8
135.08145	5.0
145.10254	1.7
146.08255	1.6
147.11774	5.9
149.06111	2.1
159.08067	1.8
161.06044	2.5
161.09737	6.9
163.07677	2.5
163.11270	6.6
165.05580	10.5
165.09177	2.2
169.10213	3.1
171.08144	2.4
171.11792	18.4
172.12146	1.6
173.09669	12.8
187.11269	7.0
189.12848	71.1
190.13141	5.7
191.10719	6.9
197.09618	3.8
200.08398	3.8
205.08669	2.7
215.10779	15.4
217.08728	2.1
222.09019	4.4
233.11821	88.5
234.12157	6.1
241.08908	2.6
247.02609	2.6
259.09763	7.0
260.10004	2.0
262.04834	5.9
277.07483	4.9
277.10803	100.0
277.21588	13.6
278.04370	2.0
278.11087	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84237	1.1
58.02978	32.5
59.01388	10.6
68.20341	1.0
69.76757	3.6
69.77180	3.2
71.01386	9.0
72.99300	1.4
73.02940	3.3
78.07374	0.9
83.01378	2.1
84.04548	27.5
85.02953	3.0
85.16219	1.1
86.02465	3.1
87.00911	1.3
89.02434	5.8
89.42883	1.0
92.05055	33.5
93.05413	1.5
95.16329	1.0
96.96951	2.1
97.02940	1.1
98.20596	2.1
101.02450	12.9
113.02435	3.0
115.04005	2.2
118.06613	1.3
119.03486	2.9
120.04580	9.7
120.99637	2.3
121.02945	1.6
125.02436	2.3
128.03545	100.0
128.05058	3.5
129.03839	2.3
130.06613	2.9
131.03699	3.8
136.03992	1.5
137.02432	1.4
138.03221	1.2
143.03381	1.2
144.04547	33.0
146.02483	11.6
146.06107	15.7
147.03165	2.0
148.04050	70.0
149.04460	4.5
156.04518	1.3
161.02141	1.1
161.04614	1.9
171.09259	1.4
173.07181	13.2
174.05640	3.2
174.07515	1.3
190.05064	4.8
198.54733	1.0
207.43973	1.1
215.08264	28.2
216.08702	1.7
235.07179	2.9
241.09273	8.9
259.07401	5.4
277.03931	1.3
277.05035	1.9
277.08289	31.4
277.12778	1.8
277.21777	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	275.0923
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
58.01503	1.0
59.01379	0.8
69.83846	1.6
69.84260	3.2
71.01366	1.4
74.99097	1.6
109.02917	1.0
121.06606	3.6
125.02455	1.8
126.08454	0.8
133.06580	2.8
134.03653	0.9
136.99088	1.2
137.02426	3.2
144.05765	1.1
145.06612	2.6
149.06067	2.8
157.06577	2.4
158.03685	3.0
158.07344	3.8
159.04518	5.8
159.08154	1.4
161.06062	2.9
170.07373	3.1
171.08150	15.7
172.05338	3.1
173.06068	30.7
173.09601	1.9
174.06377	1.8
175.07620	2.3
176.73859	0.9
182.03711	3.1
183.04463	2.3
183.08147	1.4
185.06082	2.5
185.09729	8.1
186.06815	3.4
187.07637	5.6
187.11343	1.2
188.08434	8.0
189.08797	1.5
197.06078	22.2
198.06854	70.5
199.07245	2.6
201.05659	4.2
201.09198	29.0
201.11040	1.7
202.09480	1.6
203.10759	20.3
204.11099	2.2
213.09201	100.0
214.09492	6.2
215.07106	5.7
216.07893	5.7
230.05832	0.9
231.10246	38.0
232.10551	2.6
245.08124	1.4
257.08322	1.0
275.05576	1.2
275.09277	6.0
293.98911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0928
Annotation	Notoserolide D
Peak:m/z	Relative Intensity
55.01889	1.8
59.01390	3.8
69.33294	1.3
69.33700	6.7
71.01389	1.5
73.02947	2.7
79.05558	0.9
81.03465	1.2
83.05048	1.7
89.02455	2.6
90.24055	1.0
91.05506	1.0
95.05036	2.2
97.02954	2.5
101.02454	1.8
107.05035	2.8
107.94812	0.7
108.02151	1.5
109.02975	7.5
109.06554	1.2
111.04517	2.0
119.05037	1.0
120.05840	1.3
121.02941	1.0
121.06630	1.9
122.03754	0.9
123.04537	16.7
124.01646	1.1
125.02457	2.4
125.06089	6.1
133.02960	1.7
133.06563	1.6
135.04529	1.5
135.69608	0.8
136.05357	1.3
137.02455	1.1
137.06075	2.2
139.04012	3.5
139.58641	0.8
141.38202	0.8
145.06635	1.3
147.04546	26.8
147.08174	4.1
149.06119	3.9
150.03203	0.8
151.04054	10.0
152.04831	5.0
153.05630	3.8
156.04289	1.0
157.06650	1.7
158.07391	1.0
159.04507	2.0
159.08174	1.6
159.11736	2.2
161.06120	2.8
161.09717	4.6
163.07677	2.9
165.05571	2.1
169.10240	3.7
170.07411	1.5
171.08115	3.8
172.08952	1.8
173.06068	4.1
173.09694	0.8
174.06856	2.4
175.07660	19.9
175.11276	3.7
176.04720	0.9
176.08052	0.9
177.09204	1.7
185.09706	4.5
187.04005	1.4
187.07703	5.0
187.11302	42.1
188.08459	29.5
188.11539	1.9
189.05617	11.7
189.09146	4.5
190.06189	1.3
198.06871	1.2
201.05548	9.4
201.09341	1.0
202.06071	2.1
203.07076	1.6
203.10803	30.8
204.08060	1.1
204.11150	2.0
205.08681	2.7
213.09207	8.8
215.07120	3.1
216.07919	12.8
229.08583	0.9
231.10274	100.0
232.10609	6.2
247.09763	24.2
247.12360	1.3
248.10146	1.3
257.08231	3.2
257.12946	0.8
275.09268	69.5
276.09647	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.24832	0.3
55.01875	0.4
71.38669	0.5
83.05053	0.4
113.21490	0.3
116.59718	0.3
118.13021	0.4
125.02432	0.4
127.60877	0.3
141.96246	0.4
156.79195	0.3
197.19077	1.4
221.19131	1.3
223.20660	5.2
225.22235	63.8
226.22597	5.5
253.21696	1.3
271.22778	100.0
272.23129	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.75401	0.2
55.09713	0.2
56.11022	0.2
70.06747	0.8
73.02934	0.4
172.93979	0.2
179.14389	0.3
187.59554	0.2
197.15533	0.2
219.13957	0.5
223.20827	0.3
225.22256	4.0
226.22360	0.4
235.17027	0.4
237.15063	0.3
253.18207	0.3
253.21745	1.4
269.21164	0.9
271.19434	4.7
271.22781	100.0
272.23135	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	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49522	0.3
51.68944	0.3
57.03447	0.5
59.01364	0.4
68.57846	0.2
69.79562	1.0
69.79974	0.6
73.02947	1.4
78.88908	0.3
81.79243	0.2
83.05018	0.4
93.70767	0.3
98.19943	0.4
103.69532	0.3
133.19295	0.3
142.61070	0.3
170.28555	0.3
179.14458	1.5
181.12332	0.3
197.15492	1.4
211.20702	1.6
217.15958	0.5
219.13889	1.6
221.15433	0.6
225.22227	0.9
235.17041	1.5
237.14891	0.8
238.31651	0.3
241.05005	0.3
241.30302	0.3
251.16444	0.6
253.18033	0.4
253.21793	1.6
269.21219	0.8
271.19229	17.7
271.22757	100.0
272.19604	1.1
272.23096	7.3
273.06363	0.3
279.91058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
65.00325	1.7
67.01870	0.5
68.99819	1.4
69.97527	1.3
79.43506	0.2
81.03438	0.8
83.01389	9.9
85.02967	0.4
107.01402	2.3
109.02948	4.4
111.00883	0.8
119.71960	0.3
125.02448	5.7
137.02480	0.3
140.73691	0.2
143.67143	0.2
151.00372	13.3
153.01938	100.0
154.02281	2.7
157.73839	0.2
210.63298	0.3
272.19476	1.0
273.07895	0.3
273.19724	1.0
283.59421	0.2
286.21280	0.3
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	oscr#7
Peak:m/z	Relative Intensity
59.01371	0.9
69.38134	3.2
70.99404	0.4
71.01385	8.6
83.05035	1.3
93.03456	1.0
95.05039	0.5
97.06596	3.0
99.08118	0.5
101.06087	1.1
112.26304	0.4
118.28915	0.4
123.08178	0.6
125.09759	1.1
136.08934	0.5
137.02475	0.9
137.09731	5.2
139.11293	27.8
140.11647	1.0
151.11270	3.1
157.12328	0.8
165.12851	6.9
167.14421	51.2
168.14784	1.8
171.40405	0.4
185.15479	9.9
186.15857	0.5
201.11346	1.4
211.13373	7.3
212.13867	0.9
222.91716	0.4
229.14450	21.3
230.14763	1.2
240.61450	0.4
245.04463	0.7
255.12384	12.8
256.12836	0.7
273.13446	100.0
274.13770	7.1
282.30255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.8
57.15599	0.3
58.00594	1.3
61.29727	0.3
63.98802	0.3
69.50014	1.2
69.50442	1.4
71.01360	0.6
72.02207	0.6
73.02951	5.4
85.67642	0.4
86.06530	0.4
90.73859	0.4
98.20616	0.4
123.08170	0.7
147.89424	0.4
163.11229	0.4
179.14423	7.1
180.14764	0.5
181.12314	0.7
189.12869	1.0
191.14403	0.6
195.13934	0.9
197.15468	5.1
198.15762	0.4
201.12729	0.5
205.16022	0.9
209.15474	0.7
217.15985	1.2
219.13914	8.2
221.15479	1.5
233.15382	1.8
235.17017	4.3
236.17255	0.4
237.14934	2.4
246.45908	0.3
251.16463	1.4
253.18069	2.4
271.19150	100.0
272.19510	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	271.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44558	0.3
57.03446	4.1
57.90050	0.3
58.00582	1.0
58.03756	0.3
59.54625	0.3
61.19033	0.3
65.00311	0.4
71.01376	0.7
72.02152	1.0
73.02541	0.4
73.02947	6.8
93.03439	0.3
97.28613	0.3
98.19898	0.7
107.01411	0.6
109.06576	0.4
119.05045	1.7
123.08202	0.4
137.09775	0.3
138.19447	0.3
151.00366	1.5
165.12823	0.3
177.12762	0.3
179.14397	8.3
181.12344	1.2
189.12834	1.3
191.14388	0.6
195.13948	1.7
197.15439	8.6
197.17178	0.6
198.15718	0.6
203.14369	0.5
205.16014	2.3
207.17513	1.0
209.15442	0.8
217.15912	3.2
219.13872	7.5
220.14134	0.3
221.15475	2.4
223.16965	0.5
225.18602	0.8
233.15453	4.7
235.17033	12.0
236.17401	0.7
237.14935	2.0
251.16505	3.8
253.18094	3.9
269.17548	0.8
271.06198	1.9
271.19135	100.0
272.06311	0.4
272.19516	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	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
51.65657	0.3
57.03450	2.4
58.00595	1.2
59.01370	0.5
66.54194	0.4
71.01350	0.4
72.02136	0.5
73.02953	6.3
83.05064	0.4
83.29553	0.3
98.19737	0.6
109.06536	0.5
123.08153	0.7
133.88098	0.3
145.34991	0.3
165.12852	0.5
179.14413	7.8
180.14673	0.5
181.12323	0.7
189.12848	1.5
191.14391	0.5
195.13907	0.9
197.15469	8.3
198.15770	0.5
201.12898	0.4
203.14400	0.5
205.15971	1.3
207.17490	0.5
209.15477	0.7
214.13812	0.3
217.16019	2.0
219.13892	10.8
220.14160	0.5
221.15431	2.4
223.16977	0.4
225.18727	0.4
225.22261	0.4
229.10899	0.3
233.15445	2.9
235.17041	7.3
236.17316	0.5
237.14934	3.3
238.15208	0.5
251.16515	2.7
253.18109	3.6
255.16232	0.4
269.17484	0.4
271.19141	100.0
272.19482	6.9
272.22476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0978
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
60.78842	0.4
70.28972	1.3
70.29364	0.8
71.05004	0.5
73.02954	2.2
73.57209	0.4
123.08225	0.4
157.06554	0.5
167.05048	1.6
169.06602	1.0
171.04506	1.7
179.14401	1.9
180.05847	0.5
185.06091	11.4
195.04515	8.5
195.13914	0.5
196.05258	3.1
197.06097	3.3
197.15494	2.2
199.03947	1.3
205.15945	0.7
207.13956	0.5
209.15576	0.5
211.04005	2.5
212.04790	5.0
213.05580	44.6
214.05907	2.6
219.13951	2.8
221.15419	0.8
223.04018	6.4
224.04776	6.2
233.15526	1.0
235.17024	1.9
237.12717	0.4
237.15027	1.2
239.03477	1.2
240.04250	2.7
241.05075	100.0
242.05428	7.3
251.16673	1.0
253.17952	1.0
256.07422	63.3
257.07758	5.0
271.09781	49.8
271.19040	26.0
272.10126	4.0
272.19556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1916
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03442	1.6
57.99756	0.5
59.01379	0.5
73.02947	2.5
86.31763	0.5
97.28220	0.5
120.43631	0.6
153.12843	2.9
179.14445	2.8
181.12329	0.8
189.12860	0.9
195.13899	0.9
197.15529	3.0
205.15958	0.6
207.17609	0.6
209.19110	33.2
210.19406	1.9
217.16005	1.1
219.13887	4.3
227.20169	1.3
233.15446	1.2
235.17067	4.1
237.14967	1.1
251.16505	1.5
253.18098	29.2
254.18452	1.9
271.19159	100.0
272.19492	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	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03455	2.9
58.00602	0.9
59.01374	0.8
69.03472	0.5
71.01389	1.0
71.63117	0.4
73.02953	10.4
83.05020	0.4
87.42724	0.3
87.72518	0.3
97.06549	0.5
108.02203	0.4
109.06595	2.1
118.17854	0.3
123.08183	0.7
125.09718	0.6
127.59315	0.4
131.56540	0.3
137.09747	0.7
143.07114	0.8
153.12868	0.9
163.11292	2.9
165.12805	0.4
175.42314	0.3
177.12775	0.3
177.47820	0.3
179.10892	0.4
179.14424	9.4
181.12357	20.9
182.12589	0.6
183.13884	0.7
189.12856	0.7
191.03532	0.8
191.14471	0.8
195.13957	2.9
197.15527	1.3
207.13881	0.6
209.15480	1.4
215.03549	0.4
217.15906	1.7
219.13913	8.0
220.14343	0.4
221.15494	0.9
227.03362	0.4
233.15463	1.8
235.16982	2.2
237.14981	3.4
243.02960	0.7
251.16495	2.0
253.18098	2.9
255.16096	0.6
269.17563	0.5
271.02496	3.4
271.15790	4.1
271.19156	100.0
272.16290	0.4
272.19489	6.3
272.22177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.0
59.01375	0.6
62.05921	0.2
69.03455	1.3
70.14111	0.5
70.14513	0.6
71.01386	8.5
72.06961	0.2
72.99301	0.4
73.02954	9.8
83.05002	0.3
84.02193	0.7
98.19928	0.3
123.76755	0.3
136.50385	0.3
146.04758	0.3
150.24913	0.3
152.13593	0.2
171.45264	0.2
180.38287	0.3
207.13882	1.1
223.20761	0.4
225.22229	0.6
237.22314	0.8
239.23795	7.3
240.24185	0.5
249.22200	0.5
251.12857	0.6
251.23880	0.8
255.23340	1.1
267.20349	0.5
267.23297	8.9
268.23526	0.6
269.21490	4.2
269.24869	100.0
270.25241	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	269.2487
Annotation	Margaric acid
Peak:m/z	Relative Intensity
58.00595	1.4
59.01376	0.7
66.33760	0.3
69.03455	1.5
71.01385	7.0
73.02956	9.0
81.35430	0.3
84.02178	0.4
98.20666	0.6
107.43941	0.3
126.69650	0.3
211.20595	0.5
223.20645	0.5
225.22214	0.7
237.22334	0.4
239.23828	7.9
240.24046	0.4
249.22246	0.6
251.23860	0.8
255.23410	0.8
267.23306	7.5
268.23734	0.4
269.21490	3.7
269.24869	100.0
270.25214	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
57.03451	2.7
59.01368	1.3
64.13931	1.0
68.61181	1.1
68.99801	2.8
69.03444	1.4
71.01388	16.9
71.62799	2.6
72.99284	3.7
73.02927	1.4
80.96522	4.8
83.01389	12.6
83.05029	1.9
85.02942	3.5
95.05018	3.2
97.02939	1.1
97.06590	18.1
99.00869	5.3
108.02148	2.3
109.02937	4.2
109.06563	2.4
111.08158	2.9
113.06052	2.1
122.03732	2.3
123.04529	2.4
123.08135	4.1
124.98824	12.4
125.06094	8.9
125.09743	14.5
135.08119	2.6
137.06078	4.5
137.09694	3.4
138.03197	3.4
139.06920	1.0
139.07681	9.9
141.09227	7.7
142.99870	41.6
151.07635	3.7
153.05571	4.3
153.09212	11.2
154.99878	40.9
156.00206	1.9
161.04808	21.0
162.05507	2.5
165.05574	2.2
165.09270	1.3
169.08673	5.2
173.00920	73.5
181.08702	1.3
192.02982	2.1
193.03766	9.8
197.04556	39.9
197.08200	4.7
198.04861	1.9
209.08205	10.3
209.11594	1.8
223.06105	2.7
241.07182	51.7
242.07448	2.2
271.08176	100.0
271.10794	13.7
271.19131	6.0
272.08505	4.8
272.11200	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.03446	2.8
59.01373	0.9
64.02128	0.9
68.99808	1.8
69.52480	3.5
69.52896	2.2
71.01386	6.8
72.99332	1.7
73.02954	1.4
80.02656	1.0
83.01384	7.3
83.05036	2.4
85.02949	3.4
93.03434	0.8
95.05035	2.4
97.06595	7.9
99.00882	3.7
109.06593	3.1
111.08175	2.6
122.03723	1.4
123.08153	3.5
124.98776	1.5
125.06103	5.0
125.09722	38.9
126.10062	1.2
129.01900	1.0
135.08180	4.1
137.06088	6.2
137.09749	1.8
138.03375	0.9
139.07681	3.8
141.09186	2.0
142.99902	4.2
151.07658	2.0
153.05618	4.1
153.08031	1.4
153.09221	17.5
154.99852	3.7
161.04649	1.2
165.05560	1.0
169.08658	2.6
171.10268	1.7
173.00894	4.3
181.08752	1.9
197.04565	4.3
197.08200	6.2
227.09274	3.0
241.07201	3.4
271.08231	100.0
271.19150	5.4
271.21756	1.0
272.08569	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	271.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24375	0.2
57.03443	0.4
59.01382	1.3
59.85854	0.2
69.03423	0.3
71.01389	7.5
71.61221	0.3
72.99310	0.4
73.02953	2.5
81.03481	0.3
83.01383	1.1
83.05064	0.2
83.32732	0.2
85.02960	4.2
87.00895	0.4
89.02462	0.4
93.03448	0.3
95.01403	1.6
97.02955	0.4
99.00878	1.3
101.02457	4.4
107.05022	0.4
108.02184	100.0
109.03026	9.3
110.02519	0.5
110.03344	0.2
111.28902	0.2
113.02466	3.6
114.05602	0.2
121.02957	1.3
122.03698	0.2
123.00892	0.9
123.04530	1.5
125.02460	0.4
127.54958	0.2
129.01901	0.2
130.08752	2.5
133.02971	0.9
134.03772	0.3
135.04541	0.5
143.03482	0.3
150.03288	0.2
151.02821	0.4
151.04021	4.8
159.03012	0.8
161.04573	4.0
162.04863	0.2
163.04031	1.6
181.05058	0.3
184.49472	0.3
197.15558	0.2
235.16946	0.3
271.08304	1.2
271.19186	2.4
271.22153	0.4
272.09955	0.7
290.32874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
69.52905	0.6
69.90390	2.6
71.01365	0.7
72.99312	64.0
73.02948	1.3
75.00879	22.4
83.05045	0.9
85.97868	0.5
87.04514	1.1
129.05569	0.8
153.54971	0.5
159.04640	0.6
205.15967	0.8
207.17506	2.9
226.43628	0.6
237.14822	0.7
243.51294	0.7
251.16451	0.7
269.17569	100.0
269.24982	1.7
270.17896	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	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01385	0.7
62.27710	0.3
69.03444	0.3
71.01058	0.3
71.01382	2.2
72.99303	0.3
73.02953	2.5
83.05058	0.3
83.66020	0.3
84.02179	1.1
85.02949	0.3
98.19840	0.7
156.91707	0.3
162.05579	0.3
197.19107	0.3
207.10498	0.3
207.13942	0.6
219.13969	0.3
223.20660	12.1
224.20988	0.7
225.22324	0.4
239.23833	1.8
251.20174	0.6
267.19910	0.4
267.23264	2.2
269.21216	100.0
269.24783	24.8
270.21591	7.4
270.25113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01381	1.2
60.64667	0.6
69.78005	1.3
69.78410	2.9
71.01389	1.3
71.05019	18.8
73.02954	2.5
83.05019	3.8
102.36449	0.5
164.90390	0.6
171.05946	0.6
188.88345	0.6
197.19055	2.0
223.20607	3.1
225.22229	28.8
226.22632	1.3
239.23775	2.1
251.20178	7.1
267.23203	1.5
269.21185	100.0
269.24777	44.7
270.21518	6.3
270.25140	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	269.2486
Annotation	Margaric acid
Peak:m/z	Relative Intensity
57.03433	1.0
58.00601	1.7
58.31332	0.7
59.01371	2.3
59.71778	0.5
62.10981	0.6
71.01381	8.6
71.64465	1.1
73.02950	9.0
81.03441	0.9
83.05014	1.4
84.02141	0.6
89.02440	1.0
97.06570	0.7
134.84074	0.5
162.05606	0.8
207.13861	0.7
216.98083	0.5
223.20689	2.0
225.22215	1.3
237.22296	0.7
239.23808	7.2
240.24187	0.8
241.91994	0.7
249.22218	0.9
251.12778	0.7
255.23322	1.1
267.23257	7.5
269.04318	0.9
269.17511	5.2
269.21292	15.9
269.24829	100.0
270.21634	1.8
270.25171	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	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03009	0.3
57.03440	0.9
57.33682	0.3
58.00597	2.4
59.01380	21.4
69.75710	2.0
71.01383	5.8
71.04995	0.6
72.99300	1.0
73.02946	0.7
83.05003	0.7
85.02947	0.4
87.00876	0.5
87.04524	0.4
88.01669	0.4
89.02447	5.9
95.05036	0.6
97.06589	4.3
99.04531	0.7
99.12905	0.4
109.06654	0.5
111.04567	0.4
123.08170	0.4
137.09708	0.4
163.11272	0.5
177.12735	0.8
179.14381	1.3
189.12862	0.9
191.14404	3.0
195.13969	0.5
201.79440	0.4
203.14424	2.3
205.15930	0.6
207.13817	0.8
209.15434	1.0
215.14400	1.6
219.13892	20.6
220.14273	1.4
221.15524	3.0
225.14917	1.3
233.15489	2.6
234.15921	0.5
237.14969	9.6
238.15213	0.5
251.16515	2.7
269.04575	1.0
269.17569	100.0
270.17917	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	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
58.00600	3.4
59.01386	25.5
60.90966	0.6
62.37183	0.4
67.71959	0.4
69.79217	2.6
71.01391	7.3
72.99301	1.1
83.05015	0.9
85.06614	0.6
87.04520	1.1
88.01651	0.6
89.02457	6.3
97.06590	2.9
98.20663	0.5
112.57327	0.4
158.13329	0.4
174.65846	0.5
177.12793	0.7
179.14389	1.0
189.12910	1.4
191.14482	3.1
193.15970	0.5
203.14400	2.5
207.14003	0.7
209.15462	0.7
215.14436	0.8
218.70573	0.5
219.13918	20.1
220.14322	1.5
221.15506	2.4
225.14886	0.5
231.41693	0.5
233.15558	2.7
235.00145	0.4
237.14983	12.4
239.16521	0.8
251.16498	1.2
269.17596	100.0
270.17969	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	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
58.00590	2.4
59.01379	25.7
69.51105	1.5
69.51526	1.4
70.93654	0.3
71.01383	6.8
72.99320	0.9
73.02963	0.4
73.31367	0.4
83.05060	0.7
88.03477	0.3
89.02440	5.8
95.05042	0.4
97.06586	2.1
169.12363	0.6
177.12863	0.8
179.14371	0.7
189.12869	1.0
191.14417	3.4
193.16031	0.5
203.14420	2.7
205.15915	0.4
207.13901	0.6
209.15454	0.5
215.14366	0.9
219.13893	21.2
220.14232	1.1
221.15471	2.8
222.15877	0.5
225.14977	0.5
233.15462	2.6
235.13321	0.6
237.14957	10.9
238.15314	0.6
239.16414	0.5
251.16513	1.5
269.17566	100.0
270.17920	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.5
59.01379	3.7
61.75738	0.7
65.53852	0.7
69.33107	0.5
71.01389	3.0
71.05027	3.2
71.63039	1.0
72.99334	0.7
73.02948	2.5
83.01410	1.1
83.05050	1.7
85.02959	5.0
85.06588	0.7
85.16022	0.6
89.02470	1.0
97.02959	0.9
97.06597	0.8
109.06602	0.7
111.08186	0.7
123.04545	2.0
125.09732	0.7
126.16486	0.6
127.07638	0.6
137.09692	0.8
139.04001	1.0
151.11339	1.0
153.83656	0.7
163.07657	2.4
165.12854	1.6
177.12843	2.8
179.14436	6.3
181.15994	5.7
189.12975	0.8
195.13885	1.7
207.13905	100.0
208.14244	5.7
219.13901	1.4
221.15392	0.9
223.13333	3.7
225.06682	2.7
225.14952	7.4
225.18477	0.9
226.15256	1.1
233.11835	37.8
234.12180	2.4
237.14963	1.1
239.16530	0.7
251.12885	82.3
251.16234	2.4
252.13263	5.3
269.04471	1.6
269.13956	60.3
269.17538	28.6
269.21173	6.4
269.24835	2.6
270.14249	2.9
270.17990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1756
Annotation	Celorbicol
Peak:m/z	Relative Intensity
57.03423	2.0
58.00544	0.7
59.01374	4.0
61.98836	4.5
66.16104	0.7
68.45060	0.8
69.03425	1.9
71.01379	5.9
71.04981	3.4
73.02950	13.0
81.03426	1.6
83.01371	1.3
83.04979	3.4
85.02915	2.9
87.04486	1.1
87.73723	0.8
95.04982	3.3
97.06587	11.4
99.04472	2.0
101.02437	3.7
109.05996	0.9
109.06596	9.2
111.08142	1.5
115.07642	1.3
120.99612	1.0
121.06589	11.5
123.08170	10.5
125.09681	1.1
127.07671	4.3
135.08128	0.9
137.09676	2.3
140.25862	0.9
149.09766	1.1
161.09691	1.0
165.12854	2.1
175.11244	1.6
177.12848	10.4
193.12326	2.9
195.13893	97.4
196.14261	5.2
205.12473	0.7
207.13809	1.1
211.09807	1.4
225.14958	1.5
228.53987	0.8
230.29205	0.9
233.15437	2.9
235.13426	0.8
237.14806	1.2
241.01532	2.0
245.00980	1.2
251.16519	6.2
267.15744	0.7
269.04639	1.5
269.14081	4.6
269.17584	100.0
269.21017	3.6
269.24976	2.8
270.01834	1.1
270.17926	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	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.77263	0.6
57.03447	5.5
59.01386	1.3
60.99315	0.7
61.04815	0.5
62.96416	4.9
70.20911	1.2
70.21302	1.1
71.01382	1.2
71.05024	16.5
72.90741	0.6
73.02948	1.7
83.05019	1.1
85.02943	0.6
86.63706	0.5
95.05022	0.7
96.31272	0.5
97.06595	0.9
108.55487	0.5
113.06107	1.5
137.09731	8.2
141.39023	0.5
151.11296	4.2
153.12852	11.1
179.14470	0.8
181.15965	4.2
193.12383	0.7
193.15956	0.9
195.13953	0.8
195.17456	0.6
203.92859	0.5
205.16026	0.7
207.13945	0.7
207.17546	5.6
219.13942	2.0
221.15433	0.6
223.17020	0.6
225.15013	0.6
225.18605	3.4
233.15462	1.8
237.14992	1.3
251.16524	19.2
252.16808	1.1
269.04575	1.4
269.17575	100.0
269.24930	2.4
270.17905	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
59.01387	2.3
69.03465	0.8
69.31141	4.2
71.01389	1.3
71.05043	0.8
72.99318	0.8
73.02949	1.6
81.89204	0.4
83.05050	0.7
85.06614	0.5
89.02471	0.7
97.06606	0.8
104.92264	0.5
111.08186	0.6
127.07658	0.7
135.08185	0.6
151.11302	3.8
161.13359	2.2
163.11302	1.5
168.45078	0.6
177.12852	1.8
179.14415	58.9
180.14691	2.4
181.12260	0.9
181.15994	1.4
193.12297	0.6
195.13879	0.7
197.15388	1.1
205.15907	0.6
207.13924	4.8
207.17635	0.7
219.13919	1.2
221.15442	0.6
223.13461	0.5
225.14954	100.0
226.15317	5.5
233.15427	1.0
237.14822	0.8
244.85963	0.5
245.09650	0.4
251.12840	1.7
251.16455	1.7
269.04471	1.5
269.13928	78.9
269.17484	25.3
269.21179	2.7
269.24933	1.2
270.14255	4.4
270.17639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2329
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
50.61533	0.5
51.46856	0.6
59.01368	1.1
60.75109	0.5
69.48839	2.7
69.49265	1.5
71.01398	0.9
71.56636	0.5
80.48901	0.6
82.39751	0.6
84.65955	0.4
96.96019	1.1
98.19909	1.1
98.95601	2.8
101.36529	0.5
113.02453	0.6
150.08029	0.5
267.15756	1.8
267.23300	100.0
268.23636	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	10.2
58.00603	1.4
59.01384	13.0
69.03464	2.2
71.01385	12.5
71.05038	2.5
71.16626	0.8
71.63031	1.2
72.99308	2.0
73.02947	12.6
77.00163	0.7
81.03436	0.7
83.05058	3.9
85.02966	1.2
85.06607	2.3
87.04511	2.1
88.50111	0.7
89.02464	2.3
95.05044	1.7
97.06606	2.5
98.03757	0.7
99.00864	1.3
99.04534	2.7
101.85971	0.7
109.06623	1.5
111.04543	1.6
111.08188	1.8
113.06087	0.8
120.48726	0.7
123.08208	1.8
125.06102	1.6
125.09739	12.3
135.08246	0.9
137.09743	2.6
139.07635	1.1
139.11287	6.9
141.09218	1.3
149.09705	1.2
151.11337	1.4
153.09215	0.8
153.12914	0.8
163.11336	1.8
165.12791	5.4
167.10741	0.9
167.14429	1.5
169.12390	1.2
175.11272	2.2
177.12869	6.3
179.14455	2.4
181.08661	0.9
181.12285	1.3
181.15993	3.8
189.12883	4.3
191.14444	1.3
193.12279	4.0
195.13901	16.7
197.13390	2.3
198.39804	0.7
199.11279	1.3
207.13902	14.8
209.11783	1.9
209.15465	1.6
211.13451	1.3
212.13271	0.7
213.15047	1.6
215.14450	3.1
219.13942	0.8
221.15500	1.0
223.17090	1.3
225.14967	73.1
226.15363	4.0
233.15491	7.9
235.13376	1.2
239.16534	4.4
241.18034	0.9
249.15016	1.4
251.12868	3.7
251.16537	10.0
267.15900	0.9
269.04510	2.7
269.13971	100.0
269.17572	93.7
269.21121	8.8
269.24933	3.9
270.14404	4.6
270.17886	4.2
270.20779	0.7
293.13391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1601
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
56.92372	0.3
57.03441	0.5
58.27831	0.3
59.01366	0.7
70.37473	1.1
71.01392	0.5
71.05013	0.6
81.03456	0.5
83.05006	0.7
85.06604	0.8
85.70337	0.3
89.02468	0.3
97.06583	1.2
97.80329	0.3
98.19901	0.3
101.02418	0.3
117.44724	0.4
121.06593	1.0
135.08139	0.5
137.09744	0.6
149.09735	0.5
151.11292	0.3
153.12889	0.3
163.11249	0.9
164.21120	0.3
195.33118	0.3
201.12872	0.7
203.14404	24.5
204.14790	1.7
205.15965	49.2
206.16344	3.7
219.13976	0.5
223.17030	18.7
223.94580	0.3
224.17377	1.2
249.14891	1.4
267.15997	100.0
268.16376	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	267.1964
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
55.81435	0.5
57.03430	2.3
59.01376	4.9
61.71570	0.5
61.98828	0.5
69.03467	0.7
69.10429	0.5
71.01399	2.6
71.05032	0.6
73.02967	0.6
83.05027	3.5
85.02959	1.1
85.06551	0.8
89.02448	1.1
89.37844	0.5
95.05042	0.6
96.96030	0.8
98.95592	4.3
98.96246	0.6
99.08145	1.1
101.02454	1.9
109.06608	1.2
111.08191	0.9
113.02435	1.2
113.09737	11.6
114.91877	0.6
119.03454	0.5
121.06527	0.5
123.45224	0.5
127.11298	4.5
127.27476	0.5
139.11296	0.7
141.12827	0.6
153.12807	0.6
161.04562	0.9
169.16003	5.1
203.18007	0.7
205.15918	0.7
221.19125	9.8
223.16985	1.9
223.20561	0.9
249.15048	1.0
249.18587	1.2
267.16064	10.6
267.19635	100.0
268.19946	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	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
54.52367	0.5
57.03445	2.7
59.01123	0.8
59.01383	7.1
59.57839	0.5
60.08541	0.5
60.46165	0.5
65.04740	0.6
69.03438	1.0
70.01543	2.4
71.01381	5.6
71.05025	0.8
72.99303	0.6
73.02956	0.8
83.05007	1.1
85.02949	1.5
85.06588	1.7
89.02467	1.6
91.19564	0.5
92.19569	0.5
95.05031	1.0
99.00855	0.5
101.02433	2.2
105.05573	0.5
106.00050	0.7
113.02488	0.9
123.08199	0.7
125.09796	0.7
127.11269	0.6
155.10768	0.6
156.34729	0.6
161.04500	1.2
171.10280	14.0
177.12808	0.6
179.14394	0.9
183.10297	4.2
195.13896	13.6
196.14166	0.7
205.15956	0.6
205.19611	0.6
214.78841	0.5
223.17009	1.7
223.20724	1.3
249.18613	31.5
250.18948	1.7
267.16092	15.0
267.19647	100.0
268.16397	1.6
268.19992	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
85.06595	26.3
86.06950	0.8
87.04530	4.2
97.06609	5.3
106.89048	0.6
109.06602	0.9
119.35416	0.5
123.08142	1.2
125.09740	2.0
135.08151	0.5
151.11322	1.3
153.12888	0.7
161.09711	2.0
166.79370	0.6
178.09972	1.7
179.10719	1.1
195.17616	2.6
203.14406	0.7
205.16042	1.7
206.13065	0.8
221.15489	7.1
223.16991	0.8
229.16693	0.7
231.13861	2.9
249.14932	2.3
266.51257	0.5
267.16019	100.0
268.16354	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	267.1602
Annotation	Dendocarbin N
Peak:m/z	Relative Intensity
51.24899	0.2
55.99524	0.2
57.03442	1.0
59.01378	0.9
68.58977	0.2
69.45125	2.3
71.01357	0.5
71.05013	0.8
73.02976	0.3
73.47945	0.3
76.13421	0.3
81.03474	0.3
83.01390	0.3
83.05017	0.4
85.02943	0.3
95.04996	0.3
97.02958	0.7
98.03740	4.1
99.04529	0.7
101.02457	0.4
109.06600	0.4
121.06604	0.4
123.08134	0.4
127.07637	0.4
135.08131	0.6
135.11778	0.7
137.09708	0.3
147.08136	0.4
151.11308	0.3
175.11285	0.4
179.14404	0.3
187.11324	1.8
190.09946	0.5
201.12871	0.3
203.14417	8.8
204.14781	0.3
205.12323	2.9
205.15965	0.8
207.13844	1.0
210.70393	0.3
219.13904	0.7
221.15459	6.0
222.15746	0.4
223.16943	0.3
249.15025	0.7
267.16003	100.0
268.16367	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	267.1602
Annotation	Elongatol D
Peak:m/z	Relative Intensity
57.03450	35.2
59.01379	0.7
69.03456	3.4
69.61954	2.8
71.05028	0.6
81.03471	0.6
83.05025	3.8
89.52524	0.4
95.05034	0.8
97.06582	0.4
98.19841	0.5
101.02444	0.6
109.06599	0.8
111.08167	3.0
116.45736	0.4
119.35808	0.4
137.09747	3.4
139.07741	0.5
149.09662	0.4
153.12871	2.8
155.10843	0.5
161.56798	0.4
177.42697	0.4
185.13196	0.5
189.12860	0.6
194.03827	0.4
205.15932	3.0
207.13908	1.7
223.17024	2.3
237.14891	1.0
241.18089	0.5
249.14899	1.0
267.16000	100.0
268.16302	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	267.1601
Annotation	Elongatol D
Peak:m/z	Relative Intensity
50.68779	0.3
57.03448	25.3
58.03786	0.2
59.01366	0.8
61.28041	0.2
62.37472	0.2
69.03455	2.2
69.11799	0.3
69.31995	1.2
69.32430	1.4
71.01376	0.4
71.05032	0.7
72.31965	0.3
73.02943	0.5
79.05536	0.4
81.03429	0.5
83.05033	2.1
85.02937	0.3
95.04984	0.4
97.06580	0.5
98.20718	0.5
101.02394	0.5
107.21371	0.3
109.06581	0.8
111.08155	2.8
115.18265	0.3
121.06580	0.3
123.08166	0.6
124.05272	0.3
125.06112	0.4
125.09594	0.3
137.09747	2.1
139.07596	0.5
153.12871	1.5
171.11739	0.4
189.12857	1.1
192.11874	0.3
193.12401	0.4
205.12375	0.4
205.15994	2.7
207.13872	1.0
223.17033	0.7
249.14975	0.8
259.57047	0.3
267.15994	100.0
268.16321	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	267.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18678	0.4
57.03440	1.3
57.86580	0.5
59.01379	2.2
69.03452	0.5
69.99172	2.0
71.01392	2.3
71.05017	2.2
73.02924	0.9
80.02669	1.5
81.03464	2.3
83.05029	0.8
84.02166	8.7
85.02956	0.9
85.06605	2.4
89.02393	0.5
95.05072	0.6
97.06585	0.9
98.03731	1.1
99.04515	5.4
109.06586	0.8
109.76735	0.4
113.06093	1.6
123.08179	0.8
125.06064	0.9
125.09718	2.3
127.07694	0.4
132.23228	0.5
136.95163	0.4
137.09657	0.7
139.11272	0.5
151.11279	0.8
167.10800	3.1
167.14407	0.6
176.27437	0.4
177.12686	0.4
179.14395	3.0
191.14485	0.7
193.15822	0.9
195.13934	0.5
195.17514	1.6
203.14474	1.0
205.15955	6.6
206.16203	0.6
207.13797	0.5
221.15517	2.9
223.17053	5.5
249.14914	1.3
267.16006	100.0
268.16339	6.6
271.56854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	6alpha,7beta-Dihydroxydiihydrodrimenin
Peak:m/z	Relative Intensity
55.01871	6.1
57.03448	11.2
58.44413	1.1
59.01379	65.2
69.03461	1.4
69.76658	7.3
71.01384	31.8
71.05017	12.8
73.02930	2.7
81.03460	1.3
83.05025	3.1
85.02924	2.6
85.06596	1.5
87.56754	1.3
92.91132	1.3
95.05016	1.8
99.04517	2.8
121.10224	7.0
123.08153	1.7
125.09721	41.7
137.09750	3.2
151.11310	2.2
152.08485	3.2
153.12875	4.4
177.12798	4.8
179.14442	1.7
189.12831	1.5
195.13896	7.5
197.11818	2.5
205.16090	2.1
207.13809	6.3
223.17043	1.8
237.92506	1.2
249.12292	2.2
249.14955	53.2
250.15269	3.4
267.16010	100.0
268.16400	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01388	3.2
69.03459	0.5
70.57769	0.3
71.01385	2.8
71.05029	3.5
73.02937	1.3
81.03458	3.0
84.02171	0.9
84.57455	0.3
85.02950	1.5
85.06608	0.5
88.04044	0.4
89.02429	1.2
90.11592	0.3
96.95985	0.4
97.02934	0.5
97.06586	0.5
98.03738	0.5
99.00854	0.5
99.04501	2.3
101.02446	2.2
112.01798	0.4
113.02457	1.0
116.06890	0.3
121.02960	0.5
121.06624	0.4
135.08138	0.4
137.09666	0.4
146.63940	0.3
161.04535	1.0
163.11227	0.4
173.09721	0.4
179.10704	0.5
179.14394	0.9
187.11313	0.5
189.12920	0.6
190.09979	1.3
191.10750	0.8
203.14389	1.4
205.12344	7.1
205.15985	1.3
205.84778	0.3
206.12726	0.5
207.13890	3.6
209.04543	0.6
221.15434	0.9
223.13377	0.5
223.17148	1.0
240.47655	0.3
249.11224	0.4
249.15022	0.5
267.16006	100.0
268.03741	0.8
268.16342	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06864	0.5
55.01878	0.6
57.03447	1.0
59.01370	2.0
59.11497	0.4
67.34484	0.4
69.32744	3.6
69.33150	1.4
71.01385	1.4
71.05015	1.7
73.02948	3.7
79.05534	0.8
81.03476	1.1
83.05051	0.9
84.02161	1.7
85.02945	0.8
89.02467	0.6
95.05050	0.7
97.06607	0.6
99.04510	1.0
101.02438	0.9
109.06586	0.8
113.02457	0.5
121.02922	0.6
121.06533	0.5
123.04516	0.7
137.09785	0.5
147.08154	0.9
151.07777	0.5
157.18365	0.5
161.04662	0.5
161.09714	2.7
163.11319	0.7
173.09711	2.0
175.11275	6.5
176.11415	0.5
177.09187	1.0
179.10809	0.6
187.11351	0.8
188.08440	0.9
189.09236	2.0
189.12857	1.2
190.10020	5.0
191.10797	7.9
193.12363	0.9
203.14359	0.9
205.12331	24.4
206.12659	1.1
207.13908	13.7
208.14404	1.0
221.15434	2.2
223.09854	0.6
223.16840	0.7
231.13905	0.6
249.14981	1.0
267.15997	100.0
268.16306	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.0
57.03459	5.3
58.00591	3.7
58.86016	0.9
59.01380	100.0
64.28078	1.0
68.18313	1.0
69.03458	1.5
70.49143	1.7
70.49479	1.8
71.01385	94.5
72.99302	3.2
73.02948	24.1
74.99112	1.3
75.00869	1.0
83.01395	12.7
85.02956	40.3
87.00878	5.5
87.04523	1.1
89.02450	41.3
89.02996	2.2
95.01409	8.1
97.02975	1.8
99.00887	8.9
101.02447	77.0
102.02776	1.7
105.05579	13.9
113.02451	36.5
119.03503	17.2
125.02411	1.9
127.89368	1.1
131.03522	1.4
143.03526	5.0
159.03011	7.6
161.03212	2.3
161.04559	45.9
162.04808	1.0
179.05595	2.8
201.59851	1.0
205.03491	1.1
267.10849	48.0
268.11215	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	267.1235
Annotation	G3
Peak:m/z	Relative Intensity
57.03438	0.9
59.01376	1.6
63.62465	0.6
69.03455	1.4
70.29469	0.6
71.01374	2.8
71.05022	2.8
71.20481	0.6
73.02944	1.8
83.05030	9.4
85.02937	0.7
89.02475	0.9
95.05017	0.9
97.02969	0.8
97.06590	1.3
98.03732	3.6
98.20656	1.5
99.04507	4.0
101.02443	1.1
109.06602	1.4
111.04598	0.6
121.06618	0.8
123.08121	1.1
125.06114	0.8
125.09733	12.4
135.08173	1.3
135.11801	1.2
155.07104	1.0
161.13341	2.0
163.11211	0.9
163.93071	0.6
171.03435	0.6
175.11224	1.8
177.12857	2.8
179.10803	0.7
179.14423	9.7
187.11296	2.2
189.09099	0.6
193.12352	0.9
203.14410	7.3
205.12325	33.6
206.12720	2.0
207.13867	0.8
221.15465	7.2
223.13353	6.6
223.16873	0.7
249.11276	3.7
249.15041	0.8
267.12384	50.8
267.15994	100.0
268.12753	2.4
268.16321	6.4
268.52811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
57.03449	5.3
59.01388	54.5
65.16393	1.6
69.63702	1.3
69.87187	4.8
69.87583	2.4
71.01379	6.3
73.02952	71.2
77.90573	1.5
85.02963	1.9
95.19318	1.5
99.04540	10.3
101.02455	1.9
119.08705	3.3
133.10281	1.9
137.09796	3.0
147.11781	2.4
149.09706	1.8
149.13365	5.7
175.11311	2.7
179.14449	3.3
193.12347	25.4
193.16017	1.6
205.15965	11.5
211.40485	1.6
220.23329	1.6
223.17049	17.9
224.67891	1.5
231.13525	1.6
246.98067	1.7
249.14981	3.5
267.16031	100.0
267.19363	5.4
268.16330	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	267.0721
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
53.48244	0.8
55.01867	1.7
57.03444	3.8
59.01380	39.5
66.42930	0.8
69.27777	9.2
69.72477	0.9
71.01381	33.3
72.01685	0.9
72.99310	4.2
73.02962	4.4
75.00877	12.7
75.70462	0.9
78.95905	1.2
83.01386	1.2
85.02951	20.3
87.00882	31.3
89.02444	20.9
92.92766	1.9
95.01385	2.5
99.00891	7.5
99.14170	1.1
101.02446	12.3
103.00406	1.2
105.01931	8.8
111.00863	1.0
113.02463	26.4
114.02734	1.0
115.00318	1.2
117.01960	2.0
119.03522	7.0
129.01923	3.4
129.73993	0.8
131.03482	1.7
132.03069	1.2
159.02988	1.1
175.02480	1.5
191.05551	1.3
207.05040	1.4
209.06679	7.1
237.06152	2.0
249.06242	1.8
262.37201	1.0
267.07224	100.0
268.07559	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	267.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
57.03448	4.5
58.00582	4.2
59.01378	82.8
63.42198	1.1
66.58778	1.0
69.64122	2.2
69.64537	4.8
70.03414	1.0
71.01382	78.4
72.99300	6.3
73.02947	14.6
74.99094	4.3
75.00877	10.3
80.96513	3.1
83.01379	9.7
85.02951	30.6
87.00877	42.6
87.04518	1.3
88.44680	1.0
89.02443	42.5
94.03018	1.7
95.01386	5.9
99.00892	8.4
100.63085	1.2
101.02441	50.8
102.02754	1.1
105.01918	7.8
105.02536	1.2
105.05542	6.0
105.88840	1.2
109.84660	1.0
113.02454	37.7
119.03503	19.0
120.99635	1.9
131.03459	1.2
133.07664	1.5
136.99124	1.9
142.00555	1.1
143.03476	3.3
149.04622	1.5
159.02957	4.3
161.04578	19.7
179.03708	1.7
179.05556	1.8
200.12424	1.0
206.03304	1.2
237.06085	2.0
249.06081	2.2
267.07159	100.0
267.10748	21.2
268.07458	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	265.2173
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
51.83671	0.3
56.93471	0.3
59.01378	0.8
68.62915	0.3
70.85519	0.3
70.85869	0.6
71.66977	0.3
79.95744	0.4
85.17822	0.3
93.78892	0.5
96.96011	18.3
103.84340	0.3
165.53423	0.3
166.54260	0.4
187.63261	0.3
210.58931	0.4
247.20856	0.4
265.14832	13.1
265.21719	100.0
266.15051	0.6
266.22083	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	266.0895
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01868	0.4
57.03455	0.4
57.41724	0.2
59.01383	3.6
59.59887	0.2
71.01385	4.3
71.60476	0.3
71.91834	0.1
72.01713	0.3
72.99308	0.4
73.02953	0.8
83.01387	0.6
85.02949	2.0
86.03226	0.2
87.00874	0.5
89.02449	1.7
92.02544	1.4
95.01392	0.3
99.00887	0.3
101.02445	3.5
102.02769	0.2
105.05569	0.4
107.03634	5.8
113.02448	1.6
119.03506	0.6
134.04730	100.0
135.05186	1.7
140.13780	0.2
143.03438	0.3
154.55544	0.2
159.02988	0.3
161.04572	1.5
162.04948	0.2
175.09096	0.2
178.06294	0.2
178.08743	0.2
233.50185	0.2
266.08969	7.9
266.13428	0.4
267.06830	0.3
267.11099	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10654	0.4
57.03455	30.1
59.01359	0.6
63.31055	0.4
69.03461	1.2
70.45488	0.4
81.03448	0.7
81.07138	0.5
83.05035	14.7
83.05533	0.9
95.05054	0.9
107.05041	1.4
109.06593	7.4
111.08167	1.0
117.07127	1.0
121.06570	0.5
129.53563	0.4
131.08678	0.9
133.06677	0.4
133.10249	7.2
135.04521	0.5
135.08186	1.3
145.06360	0.5
147.08162	1.5
149.09702	0.8
151.11299	0.6
159.11830	0.9
161.13338	0.6
164.02376	0.4
165.09276	0.6
177.01840	0.4
185.09752	0.7
185.13440	1.4
187.11275	1.3
191.88745	0.5
203.14409	4.7
205.12386	1.0
221.15422	2.0
247.13394	1.4
265.14481	100.0
266.14856	6.7
270.51749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
57.03454	14.9
58.03780	0.4
59.01382	6.8
69.03471	0.9
70.53899	0.8
71.01392	5.7
76.14167	0.4
78.95913	0.8
83.05029	0.8
85.02965	0.5
85.06597	0.4
96.96016	2.4
101.02387	0.4
109.06577	0.4
123.04486	0.4
123.08173	0.4
135.08179	0.4
138.51617	0.4
139.07623	0.8
146.90622	0.3
149.06201	0.4
177.12848	1.5
193.14383	0.5
193.15953	2.0
195.13907	0.6
203.10793	0.7
203.14514	0.6
205.15967	0.9
219.17534	2.1
221.12009	0.5
221.15475	0.9
221.19110	7.1
222.19336	0.4
247.13354	0.7
247.17036	2.5
265.14728	6.0
265.18103	100.0
266.15317	0.7
266.18445	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	265.1446
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
57.03450	12.3
59.01369	1.0
61.56283	0.6
64.48165	0.7
69.03458	1.0
71.01394	1.0
71.05003	0.8
71.63300	1.0
73.02948	1.5
81.03468	0.7
83.05031	13.6
85.06579	0.6
87.04529	1.2
87.62418	0.7
93.03493	0.6
95.05009	2.0
97.06596	2.3
99.04492	0.7
109.06622	3.1
111.04485	0.7
111.08138	1.3
113.06077	0.9
121.06609	0.8
121.10256	0.7
123.04573	0.8
123.08155	0.8
125.06041	1.3
133.09291	1.2
133.10239	15.8
134.10544	1.0
135.08142	1.3
137.06075	1.0
137.09708	1.0
149.09705	2.6
151.11272	1.3
161.09795	0.7
161.13350	1.0
165.09178	2.3
175.11327	0.8
185.13295	2.5
187.11290	1.6
201.12906	0.9
203.10759	1.4
203.14401	3.2
205.12306	0.8
219.13927	3.5
221.15536	0.8
229.12485	0.7
247.13419	1.9
265.14456	100.0
266.02322	0.9
266.14816	7.5
285.69241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.1
59.01379	2.1
59.92793	0.6
69.03457	2.2
71.01379	1.1
71.05016	2.2
71.62744	0.9
73.02935	1.4
83.05027	24.7
85.02961	1.7
86.17406	0.7
87.04511	2.4
95.05032	2.6
96.89909	0.7
97.06582	4.5
109.06604	4.5
111.04549	1.3
111.08134	1.3
113.06101	2.0
121.06624	1.3
121.10101	0.6
123.08131	4.4
125.06063	1.6
125.09743	1.8
133.06671	0.7
133.10199	1.4
135.08147	1.6
137.06136	1.2
137.09727	2.2
138.06845	1.2
138.50269	0.6
139.07654	1.6
144.47952	0.7
149.09723	1.4
151.07524	0.7
151.11290	1.7
165.12836	1.6
177.12878	2.5
185.09598	0.7
185.13307	1.3
191.14438	1.5
201.12939	0.8
203.10820	0.9
203.14500	4.0
221.11867	1.3
221.15520	1.4
247.13251	1.7
247.79425	0.8
265.14444	100.0
266.14780	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	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15294	1.0
55.01886	12.2
57.03446	8.5
58.00594	3.4
59.01383	67.2
60.01717	1.5
60.21142	1.1
69.03460	2.0
69.86555	5.1
70.11477	1.1
71.01385	100.0
72.01720	1.8
72.99312	4.4
73.02951	35.5
75.00882	2.6
83.01396	21.8
85.02956	47.4
86.00092	1.7
87.00887	5.8
87.02764	3.9
87.89239	1.1
89.02448	15.6
89.55807	1.0
95.01404	7.0
96.96005	1.9
97.02972	3.4
98.20575	2.2
99.00883	15.2
101.02449	97.3
102.02757	1.4
103.07642	3.9
111.00908	5.0
113.02458	40.9
117.03809	2.2
119.03502	4.2
125.02442	2.9
129.01965	2.0
134.04736	17.0
135.04742	2.2
139.00323	1.2
142.43854	1.2
143.03494	3.2
159.03004	9.8
161.04561	39.6
162.04837	1.2
265.07468	3.6
265.12857	26.9
266.09015	1.9
266.13165	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	265.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03452	7.0
59.01386	1.2
69.03461	1.2
71.05029	0.8
73.02931	0.5
83.05032	6.5
93.03481	0.6
95.05025	3.4
97.02955	0.6
97.06577	1.3
107.05048	1.6
109.06622	4.1
111.04473	0.7
113.06100	2.4
119.05090	0.7
121.06610	10.3
121.10238	0.8
123.08163	6.3
131.08769	0.6
132.07936	0.5
133.06621	0.6
133.10229	0.8
135.08159	4.8
137.09703	1.5
139.07689	0.7
139.11281	1.0
141.09325	0.6
145.02936	1.3
147.08089	0.6
149.06174	0.5
149.09755	3.8
150.35571	0.6
151.07503	0.5
151.11292	7.0
161.09761	0.8
161.13408	0.8
161.45911	0.5
163.11287	0.7
165.12843	1.4
175.11281	0.7
177.12904	3.0
185.13403	2.6
187.11343	2.8
190.85132	0.5
201.12898	0.9
203.14420	52.1
204.14761	3.4
205.12416	0.6
205.93661	0.5
206.13043	1.5
219.13878	0.6
221.12149	2.6
221.15474	20.3
222.15808	1.5
237.11409	0.7
247.13454	3.2
265.11148	3.2
265.14462	100.0
266.14789	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0929
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
54.65491	0.5
55.01882	0.8
57.03446	2.9
58.00596	1.4
59.01379	43.7
70.46640	1.5
71.01384	19.6
72.99303	1.6
73.02940	1.2
83.01374	1.5
85.02953	24.5
86.03273	0.5
87.00893	1.6
89.02445	23.6
93.45006	0.4
95.01404	2.5
96.95991	0.5
99.00864	0.7
99.04538	0.7
101.02444	15.2
101.57919	0.4
103.04011	38.4
113.02452	8.7
117.05576	7.6
119.03509	9.5
120.03991	0.4
131.03503	0.7
143.03491	1.0
145.05072	1.0
149.04541	0.8
161.04561	1.0
167.01987	1.2
179.05586	2.0
212.05978	0.4
265.09283	100.0
266.09634	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86812	1.1
55.01878	10.3
57.03447	7.3
58.00594	3.5
59.01384	62.2
66.15504	1.2
68.99833	0.9
69.03450	1.3
69.05904	1.1
69.38303	1.0
69.52132	5.4
69.52538	2.1
71.01389	100.0
72.99323	5.2
73.02950	33.8
75.00862	3.8
83.01391	18.2
85.02959	54.8
86.00111	1.7
87.00877	5.9
87.02745	2.7
89.02463	16.8
95.01376	7.8
96.96046	6.2
97.02927	1.6
99.00883	15.5
101.02451	90.2
103.07656	4.7
107.80887	1.0
111.00877	3.6
113.02459	39.8
117.03817	2.2
117.05621	1.1
117.08689	1.2
119.03513	5.3
125.02450	2.9
129.01932	3.1
130.63481	1.1
134.04771	7.0
135.04877	3.8
139.74179	1.1
143.03503	4.1
149.02524	1.3
159.03008	11.7
161.03226	2.2
161.04565	42.7
173.08177	1.3
228.87254	1.2
265.07230	9.1
265.12888	23.7
266.13272	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	265.0715
Annotation	Diaportinol
Peak:m/z	Relative Intensity
53.30956	0.6
58.00603	0.6
58.31214	0.5
59.01093	0.8
59.01381	14.4
69.29651	0.8
69.30050	5.5
69.82912	0.6
71.01381	3.6
72.99298	1.2
73.02943	0.6
75.43259	0.6
85.02972	0.9
87.00857	0.7
88.39409	0.6
89.02466	1.1
93.03471	1.1
96.95988	0.9
101.02441	2.2
115.68630	0.7
117.03467	28.7
119.05025	45.4
120.05360	1.5
121.02947	3.9
123.00828	0.5
125.06058	0.7
130.50261	0.6
131.04993	1.6
132.05817	5.1
133.02957	1.4
133.06602	17.2
134.03766	0.6
135.04523	1.2
137.02411	0.7
145.02953	100.0
146.03253	3.1
159.04462	0.8
160.03989	0.8
161.04552	1.8
161.06081	41.2
162.03206	1.1
162.06438	1.6
163.04010	29.9
164.04295	0.8
175.03958	1.1
177.05551	1.3
178.06343	1.4
187.03993	3.7
191.03415	1.2
203.10855	0.7
205.05057	35.8
206.05487	1.9
221.04700	0.7
221.08302	0.8
265.07181	26.7
265.14554	0.9
266.07559	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02292	1.0
55.01873	1.2
57.03446	1.9
58.00599	3.9
59.01383	100.0
62.76486	1.3
71.01385	54.0
71.62256	1.8
72.01720	1.5
72.37500	1.0
72.99312	5.2
73.02950	3.0
75.00890	1.7
83.01411	2.3
85.02956	45.7
86.40968	1.1
87.00882	2.2
87.02702	1.1
89.02447	62.5
90.47578	1.0
95.01413	4.1
96.96030	1.6
101.02451	29.7
102.19276	1.4
103.04025	2.9
107.03629	1.5
112.18508	1.0
113.02452	20.9
117.05586	20.4
119.03505	23.8
130.91211	1.1
131.03592	2.5
134.04732	26.9
136.53020	1.2
137.91733	1.2
143.03505	2.5
149.02466	1.7
149.04549	1.3
161.04520	3.6
164.04773	2.6
179.03580	3.4
179.05617	7.7
179.07150	3.4
221.09352	1.2
240.75186	1.1
260.49622	1.2
265.09497	18.9
265.14349	1.3
266.09213	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	263.1652
Annotation	Methyl Aignopsanoate
Peak:m/z	Relative Intensity
53.21808	0.6
53.30252	0.6
57.03440	3.1
59.01385	3.7
69.46786	4.5
69.47195	1.4
70.36459	0.7
71.01369	1.4
71.05019	0.7
81.03464	0.8
83.05034	4.6
95.05009	3.3
97.02951	1.1
97.06586	2.4
105.07094	0.9
108.02182	3.2
111.04559	1.2
113.02417	0.9
119.08689	1.9
120.41721	0.8
121.06585	2.2
123.04528	23.0
123.08163	1.3
135.04491	1.2
147.08133	1.0
149.06145	1.2
149.09712	1.2
151.07686	4.6
151.91397	0.7
159.87271	0.9
163.07671	12.7
187.14911	6.3
191.10744	1.0
201.12881	6.7
203.14334	0.8
213.12859	2.6
219.10341	1.5
219.13895	6.4
219.17427	1.5
231.13893	57.4
232.14244	3.6
245.11845	2.8
263.09244	2.3
263.12918	20.9
263.16489	100.0
264.13287	1.5
264.16794	6.6
267.72327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01391	2.0
67.42023	0.4
69.58438	2.5
71.01353	0.7
105.01223	0.4
146.56990	0.4
201.12776	0.5
219.13875	0.4
219.21129	0.7
245.19150	0.8
251.66805	0.5
263.20163	100.0
264.20517	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82430	0.8
55.01877	1.2
57.03453	8.6
58.00588	3.9
59.01374	4.6
59.58802	1.1
68.99815	2.3
69.03445	2.6
69.33627	6.1
69.34033	2.6
71.01384	4.2
71.05014	2.3
72.99310	1.8
73.02949	2.4
74.40606	1.0
79.05526	1.3
81.03454	1.8
83.05027	9.5
84.52448	0.8
85.02948	11.4
85.03395	1.5
87.04520	6.0
88.86260	1.0
93.03452	2.1
95.05032	2.7
97.06601	4.9
98.03734	1.9
99.04515	6.0
105.07089	4.1
107.05035	1.8
109.06589	1.8
111.04522	20.8
121.02987	1.1
121.06586	3.9
121.10269	2.0
123.08160	2.9
125.06064	1.5
131.08659	2.0
133.06596	2.8
135.04541	1.8
135.08162	3.5
137.09717	2.6
141.51088	0.9
145.06606	1.1
145.10271	1.6
147.08163	4.1
149.06068	1.6
149.09718	4.0
151.07729	1.2
157.06657	1.1
159.08163	1.5
159.11806	1.1
161.06010	1.1
161.09752	3.0
161.13374	5.5
163.07628	2.0
163.11290	2.1
165.09232	13.2
171.08119	2.1
173.09755	1.6
173.13342	2.9
175.11230	5.3
177.09183	2.7
177.12793	3.0
179.10785	4.2
183.11786	3.4
185.09647	2.3
187.11241	1.7
189.09241	1.5
189.12875	3.3
191.10861	1.5
191.14412	7.9
199.11252	3.0
201.12843	28.3
202.13339	1.3
204.11444	1.0
217.12389	2.5
219.10307	3.3
219.13870	18.7
223.02136	1.0
235.13426	2.1
245.11803	5.6
263.12878	100.0
264.13235	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01292	0.4
53.43925	0.4
54.35582	0.4
57.03449	1.2
59.01390	0.5
62.24464	0.4
69.03490	0.4
69.34458	1.4
69.34875	2.1
83.05037	3.7
83.99155	0.4
92.14626	0.4
95.05040	1.3
97.02950	0.4
97.06593	6.6
107.05022	1.5
111.04522	1.4
120.05719	0.4
121.02952	0.9
121.06601	6.5
123.04489	0.6
123.08150	1.1
133.06604	1.1
134.03751	0.8
135.04524	100.0
136.04851	4.3
147.08105	0.9
149.06084	12.1
150.06871	16.9
151.07639	2.7
165.09143	0.7
171.11824	0.6
172.08510	0.4
173.09692	0.5
175.11267	1.1
177.09113	0.6
180.49673	0.4
183.11743	0.7
185.09743	1.4
189.09212	16.6
189.12859	1.6
190.09590	1.0
191.14407	0.5
201.12836	4.8
203.10817	1.8
204.11522	1.5
219.10454	0.6
219.13965	2.8
245.11855	2.9
263.12872	86.3
264.13235	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
51.37090	0.4
55.91537	0.3
55.91819	0.5
57.03436	0.5
59.01363	0.5
67.01883	1.0
67.89255	0.4
69.03091	0.7
69.03455	8.3
69.49208	2.9
69.49606	1.0
71.05022	1.7
83.05035	0.7
85.81435	0.4
95.05029	1.7
96.46999	0.4
97.06594	9.5
99.04539	0.5
105.07083	1.5
107.05016	0.9
111.04524	0.7
119.05031	1.2
119.08676	0.6
121.06593	3.2
123.08177	2.3
129.07092	0.6
133.06569	2.6
135.04501	0.6
135.08130	0.6
137.09706	0.7
138.03258	0.6
139.04027	0.5
149.09706	0.6
151.07596	0.6
155.08607	0.5
162.98889	0.4
173.09752	1.0
175.11337	0.5
183.11751	2.8
185.09709	2.4
189.12849	2.4
191.14421	7.7
192.14693	0.7
199.11284	0.8
201.12842	18.5
202.13139	1.2
219.13890	8.2
220.14230	0.5
227.10690	0.7
245.11850	6.7
246.12202	0.8
263.12866	100.0
264.13223	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61846	2.0
66.65887	2.3
71.01391	5.5
75.21753	2.6
83.05018	5.2
97.02961	11.6
98.19830	4.9
105.07170	2.5
107.05023	2.7
108.05797	5.1
109.02962	6.4
109.06599	4.2
111.04540	14.7
113.06100	10.3
119.08701	4.9
121.06612	4.8
122.03751	14.4
123.08168	7.8
125.06094	22.0
126.06445	2.5
132.33784	2.5
135.08221	4.0
136.05316	18.3
137.06081	9.1
138.06880	18.9
139.07668	35.6
148.05292	8.5
149.06096	3.2
151.07660	74.0
152.04781	6.7
152.08435	45.9
153.09225	14.6
156.10132	2.4
159.11862	2.8
161.09741	6.9
163.07675	11.1
163.11577	2.2
167.07210	3.3
176.99529	2.2
186.10550	3.0
189.09267	7.1
201.12836	35.0
203.10817	23.3
204.11545	59.2
219.13904	100.0
220.14229	6.4
263.12903	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	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07557	0.9
59.01365	1.8
70.82763	2.5
74.21355	0.8
83.05018	1.4
83.43487	0.9
97.06622	1.8
123.08160	1.1
133.06549	1.2
133.10178	1.0
153.06592	1.0
164.08414	3.4
188.82539	1.0
194.61195	0.8
199.11230	1.1
201.12842	7.6
219.13892	100.0
220.14192	5.8
263.12881	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37910	0.5
62.40364	0.4
65.86707	0.4
71.60301	0.5
98.21319	0.5
112.53159	0.5
119.16862	0.6
171.08086	0.6
179.26524	0.5
183.08047	0.5
183.11766	1.2
185.09705	5.2
186.10356	1.2
189.12842	1.5
191.14417	0.7
201.12834	14.6
202.13130	1.0
203.10756	0.6
204.11578	1.8
217.12383	0.7
219.13902	10.5
220.14240	0.7
235.13474	2.4
245.11852	1.8
250.19705	0.5
251.12888	2.0
263.12866	100.0
264.13202	6.0
275.29733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16374	0.5
57.03448	0.9
57.16141	0.5
60.31840	0.6
70.00079	2.6
71.05032	3.4
79.90486	0.6
83.04980	0.8
85.13693	0.7
95.05032	1.5
97.06593	16.7
98.06952	0.7
107.05032	0.9
111.04518	1.7
112.05361	0.7
120.05811	6.7
121.06615	15.0
122.03747	3.2
122.06927	0.7
123.08179	6.4
129.07098	0.7
133.06606	1.0
135.04524	14.0
135.08174	1.5
136.04868	1.0
145.06583	1.2
147.08167	1.9
149.06079	2.6
150.06885	4.2
151.07622	2.7
152.04858	1.5
174.10464	1.3
175.11212	1.5
183.11795	2.5
185.09694	0.9
189.09218	2.1
189.12878	7.3
191.14491	1.3
201.12852	8.8
202.13101	1.0
203.10747	0.8
204.11630	4.5
205.43951	0.6
206.09322	0.6
219.13918	7.5
231.53494	0.6
245.11803	1.6
263.12881	100.0
264.13223	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	263.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57267	0.6
56.27061	0.7
57.03465	1.1
61.34488	0.7
69.03458	2.3
69.52694	0.6
69.95391	4.0
71.01377	2.4
72.34715	0.7
79.05518	1.2
79.70272	0.7
83.05030	15.7
93.07103	4.2
95.05039	6.5
97.06596	39.3
98.06938	1.0
105.07101	2.1
107.05023	2.6
112.32434	0.8
119.08679	2.4
120.05865	0.7
121.06580	7.8
123.04525	2.4
123.08170	8.3
133.06635	0.8
133.97911	0.8
135.04539	6.7
135.08160	1.4
137.09697	1.3
147.08159	2.5
149.06061	0.8
149.09688	2.7
163.11252	0.9
171.08179	3.0
173.13379	0.8
175.11256	2.0
185.09734	0.8
189.09232	5.7
201.12903	4.2
219.13899	15.3
245.11839	18.6
246.12134	0.7
263.12885	100.0
264.13214	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	263.1287
Annotation	Laccijalaric acid
Peak:m/z	Relative Intensity
56.40363	0.9
57.03446	12.6
61.04989	0.7
69.03449	3.3
71.01389	4.8
71.05009	1.3
82.40614	0.7
83.05025	37.8
84.15882	0.7
93.07095	1.1
107.05041	1.2
109.06600	1.2
111.04520	1.0
117.07110	1.3
119.04967	0.8
121.06606	10.1
123.08159	6.3
133.06630	1.9
135.08179	1.7
150.03169	0.8
159.08055	0.9
161.06053	4.1
161.09721	2.6
171.11809	1.5
173.13383	0.9
174.06909	0.8
175.11264	2.5
183.11775	3.0
185.09705	2.9
186.10464	1.1
189.12814	2.8
193.08548	1.4
199.11263	1.9
201.12843	70.1
202.13179	3.8
203.10768	0.9
205.08725	1.8
217.12312	2.9
219.13889	2.3
245.11816	40.1
246.12209	1.6
263.12863	100.0
264.13193	8.0
282.65936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.8
57.03444	5.0
58.00595	4.4
59.01379	4.5
59.92887	1.1
60.99285	1.3
69.03445	2.9
69.65253	7.8
71.01384	3.8
71.05026	3.3
71.17391	1.0
72.99290	1.3
73.02958	2.2
73.20936	1.3
81.03437	1.5
83.05034	15.4
85.02959	9.4
87.04507	3.2
93.03474	1.6
95.05046	3.7
97.06593	34.1
99.04505	5.6
101.02502	1.6
107.05016	3.4
109.06617	2.7
111.04520	19.7
113.06143	1.2
119.04953	1.4
119.08707	1.9
121.06608	6.9
121.10199	1.4
123.08152	3.2
133.06595	3.1
133.10280	1.4
135.04584	2.6
135.08177	5.5
137.06076	1.2
137.09717	1.9
145.10255	1.3
147.08170	2.1
149.09676	2.9
151.07605	2.2
155.08720	1.5
159.08156	2.0
159.11801	1.8
161.09734	2.2
161.13396	1.8
162.03246	6.3
163.11305	5.5
165.09242	7.4
171.08160	2.1
171.11830	2.3
172.00313	1.2
173.05995	1.3
173.09721	2.0
173.13406	2.4
175.07658	2.1
175.11301	7.4
177.09262	2.1
183.11787	32.8
184.12059	1.6
185.09724	2.1
186.10388	2.3
188.08455	1.5
189.12834	3.6
190.02722	30.8
191.02977	1.5
191.10800	1.6
191.14449	5.3
199.11337	3.3
201.12840	31.8
202.13167	2.0
203.10808	1.7
205.12280	2.1
217.12312	3.7
219.06630	21.8
219.10126	5.8
219.13889	18.1
220.14375	1.4
227.10789	2.3
243.10329	2.1
245.11787	20.0
246.12047	2.2
263.05606	11.7
263.12881	100.0
264.13232	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	261.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03223	1.2
57.03460	14.3
61.94797	1.1
71.01390	19.9
71.40108	2.6
83.05042	2.0
93.03474	2.2
95.05034	4.7
97.02947	2.3
119.08675	5.1
121.06573	2.4
123.04523	3.5
133.06613	5.8
133.10222	3.3
135.04532	1.4
135.08168	3.3
137.06056	2.4
145.10265	2.1
147.08170	14.6
151.04027	1.1
155.08655	2.4
157.06572	1.6
157.10242	14.5
159.08205	7.2
161.09807	2.0
169.06436	1.4
171.08220	2.5
171.11819	5.3
173.06056	2.2
173.09778	6.9
173.11055	1.3
175.07672	1.9
175.11287	5.3
181.10228	4.1
183.08153	18.1
184.08943	13.3
185.09726	2.8
186.06863	10.8
187.07536	2.3
187.11276	4.3
188.11551	1.3
189.12869	8.1
191.07187	3.6
197.09657	6.4
199.11292	99.5
200.11676	5.5
201.09229	3.2
202.10037	6.0
215.10876	1.5
217.12334	90.0
218.12682	4.4
233.11900	1.6
243.10318	12.3
261.11328	100.0
261.22205	3.3
262.11646	5.3
265.94388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99403	1.4
55.01880	11.0
57.03452	6.5
58.00591	3.7
59.01383	76.5
68.99841	1.4
69.03426	1.3
69.52466	10.3
71.01383	100.0
71.05021	1.6
72.01733	1.3
72.48841	1.1
72.99303	4.6
73.02946	29.5
75.00870	1.9
83.01389	13.2
85.02952	46.5
87.00865	4.0
89.02441	28.2
95.01376	8.1
97.02948	1.9
98.20588	2.6
99.00878	11.0
101.02441	75.5
113.02447	42.4
113.03233	2.4
119.03522	10.1
125.02440	2.5
129.09892	1.3
129.34250	1.2
131.03430	1.8
138.63741	1.2
143.03500	5.1
159.02992	9.4
161.04561	48.0
176.87177	1.4
179.05611	2.8
182.74728	1.2
201.00177	1.3
263.05615	1.3
263.11304	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1136
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01880	7.7
57.03452	4.6
58.00587	1.7
59.01381	55.0
68.77559	1.0
69.03456	2.1
71.01385	100.0
71.05019	16.7
72.01728	1.3
72.99311	5.4
73.02946	25.7
73.06576	4.6
75.00879	2.2
77.54057	1.1
83.01389	9.7
83.05025	11.2
85.02954	44.7
87.00881	5.3
89.02448	22.9
95.01399	9.7
96.83103	0.9
97.02926	2.1
99.00892	12.0
99.04468	1.1
101.02448	51.8
101.06085	35.0
113.02456	35.3
117.76809	1.1
119.03502	6.6
125.02434	3.2
129.01909	2.1
131.03487	1.6
143.03499	2.5
144.21135	1.0
158.67410	1.1
159.03035	5.0
161.04581	18.3
175.04048	1.1
187.66115	0.9
201.13019	1.0
229.37489	1.4
263.05658	1.3
263.11279	3.4
276.21320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.5
60.26131	1.6
69.54549	10.2
79.91517	1.3
84.50481	1.4
95.05016	2.0
147.11713	1.8
150.23932	1.4
157.10240	5.5
159.11835	4.9
163.03990	2.3
163.07648	1.4
164.31238	1.6
175.14920	3.4
176.08333	1.6
191.10773	3.6
201.12788	5.5
203.10815	11.9
204.11493	1.9
219.13892	100.0
220.14162	5.5
245.11859	2.0
263.12866	46.2
264.13272	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	261.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51549	1.8
65.03966	2.1
66.32938	2.1
69.34492	4.6
69.34901	13.5
69.65424	1.9
81.03448	2.0
83.05030	3.7
88.38589	1.9
95.94614	1.6
99.54823	1.9
135.04567	2.9
135.08147	1.9
137.06088	10.6
143.08669	3.2
155.08650	2.9
157.06566	2.3
169.06604	9.8
169.10262	7.8
171.11833	6.5
181.10226	93.3
182.10548	6.8
183.08217	8.5
184.08879	3.7
197.09825	3.0
199.11287	100.0
200.11609	5.9
217.12329	14.4
243.10280	17.2
244.44125	1.9
261.11319	87.0
262.11554	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	261.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	1.1
69.03465	1.1
70.40804	1.2
71.01374	0.5
79.01896	2.7
91.05534	0.9
97.02950	2.6
98.03754	1.5
105.07147	0.5
119.05041	2.2
119.08667	50.4
120.08987	2.3
121.06610	2.2
129.07118	1.0
133.06619	2.5
137.09750	0.4
143.08614	0.6
147.08153	1.0
157.06578	0.4
161.05974	0.5
163.07648	6.7
169.10207	1.2
171.08183	0.5
173.09706	0.6
175.11307	1.0
179.08545	0.8
181.06960	0.9
181.10245	1.1
183.08035	0.4
187.11295	1.0
197.09752	0.8
199.11278	100.0
200.11606	6.5
202.09904	0.4
211.13411	0.9
215.10725	0.8
217.08665	1.3
217.12325	7.8
243.10297	0.6
261.11316	13.4
261.22208	0.5
262.11694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	3.0
69.03464	1.5
69.76291	3.3
83.05015	1.8
95.05035	1.0
97.06599	12.7
97.88779	0.7
98.20597	1.1
107.05017	1.2
109.02964	1.5
109.06579	0.9
111.04538	1.7
120.05808	8.7
121.06602	47.1
122.03713	0.8
122.06940	1.1
133.06595	0.7
135.04524	39.8
135.08165	1.5
147.08151	0.9
148.05307	19.5
149.06088	12.3
152.04831	0.7
161.09734	2.9
163.04022	8.7
184.08936	1.3
187.07617	1.0
187.11334	1.0
189.09158	1.7
189.12849	10.8
191.10843	1.4
197.09772	0.9
199.11298	4.5
201.09213	1.1
202.09972	3.5
207.35138	0.6
217.08969	0.8
217.12341	18.9
218.12700	1.2
239.44991	0.6
243.10181	3.9
261.11313	100.0
262.11655	8.8
262.27948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0881
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
58.02981	5.5
59.01376	9.0
70.02979	9.2
71.01380	1.4
71.63625	0.8
72.04549	5.2
74.02474	100.0
75.02831	0.8
79.55968	0.8
82.02995	0.9
84.04549	1.8
86.02481	1.2
92.05070	1.1
98.02480	24.3
99.00892	1.0
109.02964	0.8
110.02495	1.3
114.05620	1.6
116.03541	52.8
117.03887	1.0
119.05047	1.0
119.43844	0.9
119.46552	0.7
125.09710	1.1
128.03531	7.8
131.03801	6.9
131.05327	1.0
132.04553	34.2
133.04916	0.9
136.95425	0.8
138.73666	0.8
143.10762	0.9
144.04576	7.9
146.06007	1.0
153.09189	0.9
157.07681	3.8
158.06100	5.5
175.08743	5.7
175.11261	0.8
179.83833	0.7
183.07964	0.9
201.06685	14.1
201.11302	2.4
217.09879	1.7
217.12390	2.2
218.08176	15.2
218.10001	1.1
219.07805	6.9
219.12337	7.1
242.53665	0.8
261.04367	1.7
261.08817	42.8
261.11438	2.3
261.22168	1.8
262.07208	3.0
262.09445	1.3
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	Shizukanolide F
Peak:m/z	Relative Intensity
59.31550	0.6
70.31316	1.6
73.02965	0.7
91.05538	0.8
97.02968	0.7
97.58389	0.7
112.05917	0.7
119.05027	0.7
119.08672	33.2
120.08984	1.6
121.06575	1.2
133.06621	1.2
135.74983	0.7
159.08177	1.0
163.07660	2.2
174.84041	0.7
178.79732	0.7
199.11311	1.8
203.73238	0.6
211.13374	0.8
217.12337	100.0
218.12662	7.5
240.40863	0.6
261.11328	12.6
261.18469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
56.92534	0.5
59.01389	0.6
69.70097	0.5
71.01374	0.5
71.39658	0.9
71.40010	0.5
72.99307	12.3
75.00877	2.5
79.95732	6.9
79.96101	0.6
80.96529	1.7
81.03467	1.5
93.03461	21.7
96.96008	3.5
107.05063	2.0
119.05031	42.7
120.05373	1.1
131.01711	1.2
134.03777	1.1
135.04529	32.2
137.06081	0.7
160.57738	0.6
163.04013	35.4
164.04324	1.8
181.05069	88.1
182.05402	3.4
199.00700	14.3
200.01009	0.7
215.00143	6.6
242.99667	0.9
261.00732	100.0
261.22189	0.6
262.00998	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	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
59.01385	1.0
69.03452	0.6
70.98959	0.8
70.99297	0.7
72.99313	14.2
75.00879	3.0
78.95905	1.3
79.95740	9.2
79.96181	0.8
80.96535	1.8
81.03470	2.0
87.00977	0.5
93.03463	24.6
94.03793	0.8
96.96021	3.7
99.00898	1.4
102.54438	0.5
107.05062	2.3
118.22724	0.4
118.55658	0.5
119.05032	47.7
120.05376	2.8
120.99643	2.9
121.02949	0.6
128.03584	1.9
134.03770	1.2
135.04532	27.7
136.04836	0.9
137.06056	0.8
154.49020	0.6
163.04013	35.0
164.04353	0.9
171.02985	0.7
181.05069	79.7
182.05383	3.6
185.99930	0.9
191.13895	0.6
199.00711	24.2
200.01038	1.0
215.00195	10.7
242.99622	1.1
261.00726	100.0
262.01114	4.3
262.03604	0.9
263.03934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
69.03452	0.6
70.98959	0.8
70.99297	0.7
72.99313	14.2
75.00879	3.0
78.95905	1.3
79.95740	9.2
79.96181	0.8
80.96535	1.8
81.03470	2.0
87.00977	0.5
93.03463	24.6
94.03793	0.8
96.96021	3.7
99.00898	1.4
102.54438	0.5
107.05062	2.3
118.22724	0.4
118.55658	0.5
119.05032	47.7
120.05376	2.8
120.99643	2.9
121.02949	0.6
128.03584	1.9
134.03770	1.2
135.04532	27.7
136.04836	0.9
137.06056	0.8
154.49020	0.6
163.04013	35.0
164.04353	0.9
171.02985	0.7
181.05069	79.7
182.05383	3.6
185.99930	0.9
191.13895	0.6
199.00711	24.2
200.01038	1.0
215.00195	10.7
242.99622	1.1
261.00726	100.0
262.01114	4.3
262.03604	0.9
263.03934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0974
Annotation	Pseudoneolinderane
Peak:m/z	Relative Intensity
57.03442	2.1
67.01868	2.0
67.38855	0.4
68.99856	0.6
69.03455	0.9
71.63448	0.6
75.12009	0.4
77.20685	0.4
79.05546	1.4
80.02670	1.7
83.01369	0.6
83.05054	0.4
91.77566	0.5
99.00890	4.0
99.51543	0.4
105.07125	1.4
106.04235	3.1
107.05032	3.3
108.02180	3.7
111.00885	8.0
116.92860	0.4
119.05001	0.6
119.08691	0.8
125.02453	3.5
125.99595	4.5
132.05807	1.9
133.06570	0.8
134.03749	0.5
135.04504	0.5
139.00369	27.0
140.00670	0.6
143.08636	1.0
145.06561	0.5
147.08162	0.4
157.06589	0.6
158.07187	0.5
159.08202	1.0
159.11783	2.1
169.10251	3.6
171.08084	2.8
171.11826	1.2
172.08887	0.4
173.09764	2.2
185.09688	1.4
187.07634	0.9
187.11279	21.9
188.11635	1.6
197.09724	1.9
199.07597	0.6
200.08473	1.4
213.09142	0.7
215.10754	24.8
216.11116	1.3
231.10297	0.6
241.08644	1.3
242.32785	0.5
249.14467	0.5
252.50467	0.5
253.61241	0.5
259.09741	100.0
259.20657	1.7
260.10071	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	259.0975
Annotation	Porelladiolide
Peak:m/z	Relative Intensity
56.96083	0.9
69.44431	5.4
69.44838	1.7
91.05534	1.4
94.89736	0.9
98.20665	2.1
99.82293	1.1
105.07130	1.8
107.52303	0.8
119.05029	2.7
119.08670	100.0
120.09011	3.5
121.06591	3.5
133.06599	3.5
163.07643	12.5
169.10252	2.2
171.11800	8.6
173.09698	0.9
215.10773	31.2
259.09729	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	259.0978
Annotation	9-Hydroxydehydrozaluzanin C
Peak:m/z	Relative Intensity
58.83959	0.7
59.01394	1.1
59.57408	0.7
60.46159	0.7
69.03478	1.4
71.63503	1.0
78.95898	1.9
92.15244	0.8
98.49783	0.7
113.02451	1.6
143.08632	0.8
145.06598	1.0
154.05037	1.1
158.07375	1.4
159.08107	3.2
169.06619	2.1
169.10202	3.9
171.08185	6.8
175.04016	1.1
180.06676	14.5
182.07368	17.5
183.08018	1.5
185.09688	3.0
187.11330	6.8
195.08054	1.9
197.09720	100.0
198.10030	6.3
200.08420	1.0
213.05588	3.6
215.10748	13.6
216.11053	0.9
241.08699	7.3
244.56967	0.8
259.02438	1.3
259.06403	1.8
259.09756	13.4
259.12448	1.2
259.13348	0.8
260.02173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02318	0.3
59.01382	0.8
69.44136	2.1
70.14769	0.3
72.99324	0.3
77.49213	0.2
78.95906	100.0
79.14309	0.3
80.96513	0.9
84.93044	0.3
88.16241	0.3
90.59985	0.3
90.82695	0.3
93.03466	0.7
96.96966	39.1
101.02443	0.8
105.15767	0.3
106.04226	0.3
107.05029	1.3
111.04510	0.4
119.05063	0.8
134.06198	0.3
135.04526	2.1
138.98024	3.1
154.18697	0.2
161.18282	0.3
168.99051	0.8
179.03481	0.4
180.06602	0.5
181.67432	0.3
187.00679	0.9
199.00208	1.1
199.09671	0.3
213.05363	0.4
215.00050	0.5
217.10861	0.9
241.01155	1.2
241.04562	0.4
259.02225	35.2
260.02448	1.7
260.05914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99245	0.8
59.01381	1.1
72.00911	10.6
76.83488	0.8
78.95908	1.5
86.02477	55.3
92.05061	57.6
93.05405	1.0
93.85658	0.8
95.42961	0.8
100.91035	0.9
101.70003	0.7
116.05062	58.7
117.05398	1.5
129.05826	1.7
130.06635	1.7
133.21516	0.7
136.03983	0.8
142.05551	1.6
142.06618	22.4
143.06129	1.5
144.08199	7.4
144.25108	0.7
153.97345	0.8
154.06598	4.0
156.06918	5.3
161.04785	0.9
169.07721	11.1
171.09276	59.8
172.09560	2.6
179.31075	0.9
215.08247	100.0
216.08646	5.1
217.05077	0.8
248.02257	0.9
259.03745	0.8
259.07379	18.1
259.11746	1.4
279.79639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0975
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
53.19390	0.6
56.61774	0.5
59.01381	13.6
69.03465	0.6
69.60751	3.7
71.01381	2.7
78.95911	1.2
79.10240	0.5
81.04549	0.6
93.03416	0.7
102.37696	0.5
121.02971	1.3
125.02409	0.9
131.08670	4.8
137.02461	0.8
143.08705	3.2
154.16544	0.6
157.06520	1.1
159.08154	100.0
160.08482	4.7
169.10237	3.5
171.04506	0.6
171.08177	1.0
171.11786	4.4
172.09016	0.6
173.06058	1.3
173.09706	0.8
175.04013	1.6
180.06638	3.9
182.07309	0.7
185.09727	2.4
187.03990	1.1
187.07700	1.7
187.11316	1.9
189.05580	1.1
197.09738	5.1
199.07655	2.2
200.08415	3.2
203.07094	1.2
213.09329	0.7
215.07138	1.1
215.10753	19.5
216.11017	0.9
231.06526	0.8
241.08727	1.4
244.00526	1.3
244.07376	1.3
259.02527	1.7
259.06137	2.9
259.09753	25.0
259.15506	2.2
260.02585	0.7
260.10037	1.9
276.54559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.233
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
51.29765	0.3
68.97128	0.4
70.93156	0.4
70.94261	0.7
81.89709	0.4
90.31284	0.3
255.23300	100.0
256.23663	6.6
274.69202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1754
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
52.08275	0.6
57.34543	0.5
59.01388	0.7
64.91969	0.6
66.31374	0.6
69.33420	0.7
69.33823	5.0
70.40493	0.6
75.58501	0.5
83.05001	0.7
167.70593	0.5
168.65184	0.5
193.16013	0.6
195.17529	48.9
196.17863	2.9
197.36131	0.5
211.07669	0.6
213.18610	0.8
229.05006	0.7
239.16513	46.7
240.16792	2.7
242.05823	1.2
257.04431	1.8
257.08255	1.8
257.17566	100.0
258.17880	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	257.2122
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
53.96298	0.5
55.90283	0.5
59.01370	1.0
70.64600	1.0
70.64934	1.3
71.03822	0.6
89.57919	0.6
98.20586	0.8
99.92562	0.8
115.92120	0.9
115.92953	0.6
116.92860	2.5
203.97327	1.4
207.17682	0.9
209.19125	4.2
210.76163	0.6
211.20657	69.2
212.21037	4.0
219.84531	0.8
220.84370	0.7
221.84315	3.4
235.38354	0.7
239.20235	1.2
257.21222	100.0
257.93979	1.8
258.21503	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	259.0226
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
62.96410	0.3
66.59968	0.1
70.23978	0.4
71.01364	0.1
78.95905	100.0
79.24335	0.1
96.21806	0.1
96.96964	36.7
98.20717	0.1
101.02459	0.2
112.70595	0.1
138.98038	1.9
150.97943	0.1
168.99078	1.0
174.50055	0.1
199.00107	1.0
216.90646	0.6
223.00195	0.2
240.91460	0.1
241.01198	0.8
259.02225	35.9
260.02643	1.0
273.54620	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	255.1968
Annotation	Cadinane-4beta,5alpha,10beta-triol
Peak:m/z	Relative Intensity
57.03181	1.0
57.03455	16.2
58.00605	4.4
59.01386	12.4
69.03448	1.6
70.81538	1.9
71.01389	10.7
72.02171	1.2
72.99301	1.9
73.02951	7.2
85.02966	3.3
85.06590	7.4
87.04523	3.0
87.42529	0.6
97.06592	2.0
103.86391	0.6
113.06116	0.7
115.07660	8.2
125.09723	0.8
127.07660	0.8
129.09235	0.6
134.72133	0.7
139.11343	6.2
151.11266	1.2
153.09190	0.7
153.12851	1.0
158.36215	0.6
163.11273	1.4
167.06190	1.7
167.14433	1.5
175.14912	2.0
177.12842	0.9
179.14464	0.8
181.16064	3.1
183.13985	0.8
191.14458	1.0
193.15982	17.6
194.16309	1.1
195.17598	1.3
209.15488	3.5
211.17130	5.2
217.15948	1.3
219.13948	1.0
221.15453	1.6
225.18654	1.3
235.17032	5.0
237.14920	1.5
237.18654	3.0
239.16585	2.0
241.05092	1.2
253.18153	7.9
254.18349	0.6
255.03065	1.0
255.16037	23.7
255.19661	88.9
255.23280	100.0
256.16415	2.0
256.20050	6.8
256.23657	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	255.1966
Annotation	Cadinane-4beta,5alpha,10beta-triol
Peak:m/z	Relative Intensity
51.87999	0.2
53.82079	0.2
57.03447	3.7
59.01375	0.5
65.00307	0.3
69.03448	0.5
71.62963	0.5
75.79654	0.2
78.90845	0.2
83.01399	0.4
83.05028	0.8
99.69066	0.2
100.07591	0.2
105.80369	0.2
107.01411	0.3
118.20169	0.2
135.08147	0.3
151.00356	0.6
163.11310	0.4
171.04431	0.3
178.56398	0.2
179.14415	10.5
180.14734	0.5
181.12363	0.5
188.60550	0.3
193.15947	1.1
195.13918	1.2
197.15482	1.7
203.14426	2.4
211.17091	0.8
213.05556	0.5
219.17529	5.0
220.17763	0.3
221.15469	28.3
222.15800	2.5
235.16963	0.3
237.18578	3.7
239.16515	1.2
255.06664	5.8
255.19641	100.0
255.23250	36.7
256.06900	0.6
256.17117	0.4
256.19977	7.1
256.23596	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	253.2172
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
52.86732	14.2
57.33263	15.6
59.01368	51.1
72.22366	13.9
100.73412	14.1
125.09257	15.3
142.78343	15.1
156.67142	15.5
165.24751	17.3
225.15555	17.3
253.21635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45571	1.5
57.03439	4.8
59.01381	24.9
69.03446	4.1
71.01379	18.6
71.02190	2.8
72.99309	4.3
75.00874	59.9
78.55046	1.5
78.95905	5.3
83.01379	2.9
85.02955	11.0
87.00889	10.5
87.36349	1.4
89.02462	13.1
92.68150	1.6
99.00868	5.4
100.68150	1.4
101.02428	9.9
111.00871	16.9
113.02453	4.8
119.03509	3.4
129.01950	27.8
155.10614	1.6
226.56039	1.8
237.06165	30.4
255.07219	100.0
255.23294	6.8
256.07565	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	255.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.5
58.00607	1.4
58.99617	1.1
59.01089	1.9
59.01382	29.4
61.98816	1.2
68.99821	2.2
69.03455	4.9
70.87090	2.4
71.01387	20.9
72.99313	7.4
73.02950	2.7
74.99101	3.1
75.00875	65.8
78.95893	2.5
83.01383	3.5
85.02960	10.5
87.00881	12.2
89.00676	4.1
89.02452	13.6
94.98083	1.7
95.01403	1.1
97.02953	1.2
99.00890	4.3
99.26643	1.0
101.02438	11.2
104.03526	3.3
111.00879	16.9
113.02470	5.5
115.04013	2.1
119.03509	4.5
121.03011	1.1
121.06556	4.6
122.06143	1.4
129.01952	34.8
135.04604	0.9
136.99080	1.5
139.00351	1.8
140.89992	4.3
149.02747	1.7
149.04532	1.1
149.06120	1.7
153.01901	1.3
164.05807	1.0
167.01697	1.2
167.03902	6.1
168.01237	5.3
210.90558	1.7
225.04103	1.3
237.03847	1.9
237.06155	27.8
255.07246	100.0
255.23289	66.0
256.05106	1.7
256.07489	5.5
256.23648	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	253.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91986	0.6
55.40628	0.6
56.28755	0.7
59.01380	12.7
65.23251	0.7
69.03469	4.3
69.41325	5.7
71.01377	2.2
71.05014	1.1
73.02950	33.8
75.00883	1.1
83.05023	4.1
85.02955	0.8
95.05013	2.1
97.06605	2.2
98.03759	1.2
107.05005	0.9
109.06628	0.8
113.06076	1.0
123.08165	2.9
125.06134	0.9
141.87733	0.7
163.11296	1.4
177.12854	2.0
177.62415	0.8
179.14418	78.7
180.14749	3.1
189.12943	1.2
191.14331	3.5
193.07126	2.3
205.15996	2.3
209.15408	5.3
217.15977	3.2
219.13866	8.2
233.15526	5.2
235.13393	1.5
235.17007	10.2
236.17505	1.0
236.29083	0.7
237.14932	2.4
251.16483	3.9
253.14497	11.6
253.18088	100.0
254.18402	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	253.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80440	0.6
55.75962	0.6
57.03447	2.0
58.00594	2.0
59.01383	12.6
69.03446	1.2
71.01379	3.6
71.05010	1.5
71.46248	1.1
71.46611	0.7
72.02151	0.5
73.02950	34.3
74.03284	0.7
78.05730	0.6
80.78266	0.6
81.03455	1.1
83.05025	1.2
85.02955	0.7
89.02458	0.6
90.44337	0.6
97.64780	0.6
98.03740	1.0
99.04498	1.4
101.02436	0.8
109.06619	1.0
113.12823	0.6
151.27998	0.6
161.04546	1.4
165.12833	0.8
177.12830	2.7
179.14410	12.8
189.12802	1.7
191.14438	4.2
193.07152	2.2
195.13908	1.6
205.15935	1.4
209.15495	7.7
217.15935	2.3
219.13895	15.3
221.15468	2.1
233.15372	5.5
235.13341	1.7
235.17046	9.1
237.14984	4.7
251.16443	3.7
253.14502	8.0
253.18086	100.0
254.18475	6.3
257.20349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.181
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
57.03456	10.8
59.01386	2.8
67.56752	0.5
72.28049	0.4
81.07089	0.6
83.05062	1.2
85.06627	1.3
97.06599	0.9
98.03754	1.1
98.19874	0.9
109.06648	0.8
137.09703	2.5
149.09709	0.8
153.12903	0.8
163.11214	0.6
175.11388	0.5
189.12862	9.4
191.14464	0.7
201.12814	1.8
203.14369	0.7
205.15981	15.8
206.16310	1.3
207.17577	6.6
209.15517	1.6
215.14354	0.6
217.15984	17.0
217.18060	0.9
218.16328	1.0
219.13881	0.9
223.17084	2.0
225.18646	5.1
233.15475	3.6
235.17049	85.2
236.17427	6.3
251.16463	1.1
253.18103	100.0
254.18430	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	251.1653
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03428	0.4
65.77283	0.3
66.17399	0.3
70.08441	1.1
78.82983	0.3
79.54978	0.3
83.05061	0.4
85.02963	0.3
126.71348	0.3
153.80833	0.3
164.88066	0.3
169.35152	0.3
179.14420	0.4
189.16496	0.9
191.14426	0.3
205.14105	0.6
205.15970	8.3
206.16240	0.6
207.17493	1.9
251.16522	100.0
252.16855	8.1
256.66910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.70590	0.3
59.01380	0.7
62.33130	0.2
62.44156	0.2
66.13309	0.3
67.02790	0.3
68.63244	0.3
69.50396	1.3
69.50806	0.8
75.74895	0.3
113.51499	0.3
233.19112	0.5
251.20154	100.0
252.20508	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	253.181
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
50.71947	0.6
57.03443	1.1
58.00589	0.9
59.01387	18.6
63.02378	0.8
69.03477	1.0
69.71094	3.8
71.01382	3.4
73.02953	26.8
74.03303	0.7
85.06605	0.9
89.02440	0.8
98.03745	1.5
101.02456	1.0
101.16605	0.6
109.06597	0.6
123.08144	0.8
157.75725	0.7
161.04608	1.1
177.12834	1.8
179.14397	9.4
189.12868	2.2
191.14439	2.5
193.07208	3.7
199.14981	0.8
205.15979	2.1
207.13965	0.7
207.17545	1.0
209.15472	4.4
217.15981	2.9
219.13916	8.0
221.15535	1.1
228.12839	0.6
233.15465	7.6
235.17047	13.8
236.17291	1.1
237.14960	1.3
251.16499	3.6
253.05052	8.0
253.14561	3.6
253.18111	100.0
254.18431	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	253.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71322	0.6
51.26672	0.6
56.59933	0.7
57.03433	1.0
59.01377	5.6
69.03463	4.3
70.17081	0.8
70.17422	2.5
71.01382	3.1
71.05014	1.3
72.51842	0.7
73.02953	27.8
75.00883	2.2
83.05044	5.2
85.02060	0.6
89.02433	1.0
95.05038	1.7
97.06607	2.7
98.03748	2.0
109.06564	0.8
121.06625	0.8
123.08186	3.2
125.06122	0.8
177.12827	1.0
179.14430	100.0
180.14818	5.0
191.14406	0.6
209.15480	3.1
219.13895	4.0
221.15442	0.8
233.15460	2.2
235.17030	8.6
251.16554	1.9
253.18108	78.1
254.18373	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	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75608	0.2
57.03445	0.8
69.02047	0.2
70.82489	0.4
70.82821	0.4
75.32253	0.2
98.19925	0.2
149.46417	0.2
191.14449	2.3
207.17569	1.3
233.15503	0.7
251.16534	100.0
252.16884	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	251.1653
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
53.21737	0.5
56.15560	0.4
59.01360	0.6
60.99307	1.4
69.88749	2.4
83.05007	1.1
83.49693	0.5
85.06588	2.9
97.06579	1.2
97.37206	0.5
98.20544	0.7
101.31557	0.5
137.09712	2.2
149.09731	0.8
184.56221	0.5
189.12863	0.8
203.14392	8.9
205.15950	21.8
206.16307	1.6
207.17534	8.9
233.15410	3.0
251.16516	100.0
252.16858	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	251.1652
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
57.03442	0.9
59.01382	4.9
70.72623	1.2
71.01376	1.4
71.05018	3.9
74.77997	0.6
80.31431	0.5
81.03452	0.8
85.02971	0.7
85.06595	2.4
97.06595	1.7
107.18633	0.5
120.47253	0.5
121.06638	0.5
123.08167	0.8
129.75258	0.6
137.09688	1.1
151.11241	0.5
165.13072	0.6
179.14452	0.6
180.15041	0.6
189.12907	0.7
191.14438	3.4
203.14400	2.3
205.16046	4.0
207.17551	14.6
208.17943	0.8
215.14479	0.7
215.25127	0.6
221.15482	1.9
233.15575	2.8
251.16525	100.0
252.16891	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	251.1653
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03447	3.8
59.01376	2.8
67.85941	0.7
69.03442	2.0
70.94462	1.4
71.01389	2.6
71.05019	12.4
78.59502	0.6
81.03466	0.8
83.05019	1.2
85.06589	0.8
87.04501	0.9
101.32552	0.7
104.63618	0.7
109.06601	0.8
123.08159	1.0
125.09734	1.7
128.71021	0.7
137.09729	1.7
139.11307	1.0
191.14478	0.9
205.16008	1.1
207.13879	0.7
207.17546	6.8
223.13313	2.4
233.15451	1.2
251.13007	5.0
251.16537	100.0
252.16881	7.7
252.23062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03432	2.8
59.01377	2.1
63.94548	0.7
67.38829	0.6
69.03457	1.6
70.82755	1.7
71.01383	2.4
71.05024	20.4
85.02918	0.9
87.04542	0.7
89.02430	0.8
95.05013	0.7
101.02486	1.0
123.08158	1.1
125.09702	0.8
137.09726	1.9
139.11316	1.3
157.27330	0.6
191.14407	0.7
205.15941	1.7
207.17542	6.3
233.15463	1.0
251.16539	100.0
252.16837	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	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85147	0.5
55.59597	0.5
57.03181	1.1
57.03456	20.0
59.01392	7.0
63.32307	0.5
69.03465	2.4
70.14536	1.5
71.05033	1.0
75.67097	0.5
83.05010	1.1
95.05021	0.6
95.60430	0.5
96.93892	0.5
97.83640	0.5
98.20497	0.7
101.02434	0.5
109.06620	0.6
111.08167	1.4
123.08148	1.4
125.09740	1.0
137.09724	0.8
139.11275	0.6
149.09769	0.9
149.37770	0.5
153.12914	0.6
179.14369	3.1
189.12885	1.0
189.16486	0.5
191.14427	35.4
192.14772	2.0
202.63094	0.6
205.15988	2.1
207.17543	11.3
208.17863	0.7
221.15471	2.3
233.15482	23.4
234.15875	1.5
251.16553	100.0
252.16885	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	251.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79547	0.9
57.03448	57.3
59.01371	1.5
69.03466	2.0
71.01395	1.6
71.05047	1.1
71.45456	1.0
74.01936	0.8
81.07086	2.0
81.66994	1.0
83.05027	0.9
85.06594	1.9
87.04544	1.9
87.31704	1.0
95.31946	1.0
103.69516	0.9
125.09696	3.6
139.11319	1.3
151.11406	1.0
153.09183	1.5
153.12891	0.9
163.11282	2.7
180.27882	0.9
191.14468	2.3
205.15991	2.8
207.17537	52.6
208.17856	2.8
221.15495	10.6
233.15453	8.1
234.15871	1.3
251.16519	100.0
252.16922	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	251.1654
Annotation	Elongatol A
Peak:m/z	Relative Intensity
57.03453	0.4
59.01370	1.0
61.76116	0.2
62.70770	0.2
71.01393	0.7
73.02958	0.3
83.05029	0.5
85.02950	0.5
98.20639	0.6
101.02458	0.4
109.06596	0.2
123.08214	0.2
139.72731	0.3
139.74017	0.2
175.11223	0.4
189.12857	0.4
191.35262	0.2
193.12328	1.0
203.14479	0.4
205.15955	0.7
207.13879	1.0
207.17596	0.9
215.14355	1.5
217.71927	0.2
233.15480	1.6
251.16537	100.0
252.13100	0.3
252.13863	0.3
252.16878	7.1
262.58282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.4
57.03454	9.0
58.00583	4.0
59.01382	91.0
68.96947	1.3
70.95609	3.1
71.01384	100.0
72.01707	1.8
72.99300	4.9
73.02950	36.3
75.00867	3.0
83.01377	18.8
85.02950	56.0
87.00883	4.5
87.04490	2.2
87.75890	1.3
89.02443	26.5
90.01716	1.3
95.01387	8.0
99.00875	13.9
101.02443	99.5
102.02781	2.3
113.02449	42.1
119.03491	7.4
119.29470	1.7
124.43490	1.4
125.02424	1.8
129.01936	2.6
139.61479	1.5
143.03535	3.8
159.03006	7.9
161.04561	47.9
199.89130	1.6
251.11342	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.4
57.03447	6.7
58.00599	3.0
59.01378	66.9
70.07951	5.6
71.01384	100.0
72.01707	2.2
72.99310	4.1
73.02946	34.9
75.00876	2.9
82.79807	1.3
83.01396	16.3
85.02950	51.9
86.03325	1.4
87.00886	4.2
87.04530	2.7
89.02443	17.6
89.06096	1.3
95.01379	6.7
97.02950	2.0
99.00869	14.3
101.02444	86.8
102.02809	1.4
113.02451	42.4
119.03484	4.2
125.02491	2.2
129.01955	2.5
131.92000	1.2
143.03491	3.9
147.26663	1.2
149.86649	1.2
159.02980	8.0
161.04567	46.6
251.11353	27.7
252.11603	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	251.1654
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03443	3.2
59.01386	0.8
68.79613	0.3
69.03462	1.4
71.01384	0.8
71.05031	0.6
73.02926	0.4
95.05030	0.4
97.06602	0.6
102.73822	0.3
107.05007	0.4
113.80668	0.3
123.04538	0.5
123.08159	1.2
125.06104	1.2
125.09718	0.6
137.09746	0.7
151.11250	0.5
165.04312	0.3
177.12837	2.4
179.14505	0.3
189.12732	0.4
191.14459	0.8
195.14059	0.3
202.55432	0.3
205.15961	1.0
207.13939	1.1
207.17534	2.3
209.15582	0.4
233.15491	0.7
251.16533	100.0
252.16884	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	251.1653
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
50.50497	0.4
51.91010	0.4
58.89292	0.4
59.01377	0.4
69.03432	1.2
70.37260	0.7
70.37624	1.2
71.15873	0.3
79.44939	0.4
95.05032	11.6
105.80676	0.4
109.09534	0.3
111.95012	0.4
120.59148	0.3
123.08176	2.0
137.09734	0.6
150.32010	0.4
151.11296	0.7
189.16502	2.5
205.15936	1.7
207.17529	56.5
208.17831	4.0
230.16444	0.4
239.79541	0.4
251.16521	100.0
252.16867	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	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33131	0.5
57.03447	1.1
57.72081	0.5
70.33576	1.8
71.01396	0.8
71.01988	0.5
71.05017	0.6
73.34740	0.6
83.05032	2.8
88.14361	0.5
97.06588	1.2
113.06092	9.9
119.08669	1.0
121.06608	2.3
123.08157	1.8
128.98576	0.6
135.08141	2.6
135.11783	0.8
137.09737	8.8
138.10020	0.7
138.59082	0.5
149.46519	0.5
187.14943	0.7
205.12344	0.5
205.15967	7.2
206.16302	1.0
209.04996	0.5
220.29880	0.5
249.14952	100.0
250.15315	7.3
265.00793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
57.03443	1.6
57.24466	0.4
62.31823	0.4
70.19474	0.4
70.97330	0.4
71.64096	0.8
72.93876	0.4
73.08791	0.4
81.03466	0.7
101.24173	0.4
101.24925	0.4
103.10952	0.4
111.08244	0.4
127.04001	0.5
135.08199	2.1
143.29346	0.4
146.02162	0.4
161.09860	0.7
187.11250	1.2
187.14859	0.5
189.12866	2.9
202.73743	0.4
203.14368	3.1
205.12352	1.6
205.15952	4.6
218.25374	0.4
231.13860	1.7
249.14955	100.0
250.15282	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	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.75162	0.3
58.83586	0.3
70.78529	0.9
76.48244	0.4
80.78946	0.3
97.06609	0.4
99.53961	0.3
109.06576	0.6
113.06122	0.6
135.08138	1.3
137.09669	0.6
147.08148	0.7
163.11111	0.3
173.50565	0.4
175.11272	0.4
179.86308	0.3
187.11273	6.5
188.11612	0.4
189.12834	0.8
201.12866	0.5
203.14412	15.2
204.14964	0.4
205.15982	1.9
213.59561	0.3
217.12338	0.6
249.14958	100.0
250.15318	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	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.13917	0.7
57.03431	1.2
59.01389	4.3
61.98839	0.9
71.01379	0.9
71.62882	1.2
77.67434	0.6
78.78182	0.6
83.05028	1.8
161.02431	1.0
177.16441	1.1
191.10637	0.7
203.93423	0.8
205.12323	3.3
205.15976	11.9
205.19678	1.6
206.16275	0.8
220.14528	0.8
221.15268	0.7
231.17462	1.4
234.11235	0.7
248.97308	1.8
249.11421	2.5
249.14938	29.7
249.18584	100.0
250.14507	24.7
250.18689	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	251.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
57.03456	2.4
58.00619	1.7
58.02965	1.9
58.99610	1.7
59.01383	50.2
62.59914	1.0
63.96241	2.7
70.86392	3.1
71.01389	41.1
72.99310	6.6
73.01180	1.3
73.02963	7.1
74.99105	4.2
75.00891	2.7
79.95721	2.2
80.96519	6.0
83.01376	2.9
85.02959	18.0
87.00449	1.1
87.00864	5.4
87.04537	1.8
88.04073	4.5
89.02451	97.7
90.02794	2.4
93.03468	2.4
95.01389	2.6
99.00890	2.0
99.04530	1.5
101.00686	2.1
101.02449	25.2
102.05653	1.3
103.04023	3.8
111.22885	1.1
113.02458	12.4
119.03488	9.4
119.05044	1.9
120.99731	2.0
124.00749	1.7
127.02240	1.4
131.03517	3.6
136.99185	1.5
143.03549	2.3
145.03293	7.0
145.04314	1.0
150.02313	4.5
161.04562	7.0
163.04367	12.3
179.05690	1.8
180.06708	2.0
190.01744	1.9
208.09734	1.9
244.60977	1.1
250.93599	2.8
251.07791	100.0
251.11185	3.5
251.16664	2.2
252.05748	2.8
252.08496	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	249.1498
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
57.03456	1.6
66.51984	0.2
70.73801	0.5
70.74146	0.3
72.64144	0.2
82.28333	0.2
82.95078	0.2
83.05048	0.5
85.28206	0.2
87.55064	0.2
115.30576	0.2
121.06581	0.3
123.08122	0.4
123.68260	0.2
133.10231	0.3
135.08151	0.5
135.11844	2.2
137.09763	0.6
151.07660	0.3
187.11255	0.6
187.14900	0.4
189.12845	0.7
203.14478	1.2
205.12399	1.1
205.15964	1.9
231.13905	0.4
249.14969	100.0
250.15309	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	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
56.77442	0.5
57.03438	0.9
69.03450	0.6
71.01402	1.1
72.67190	0.5
79.51979	0.5
79.60440	0.5
83.05027	5.1
84.10919	0.6
86.95959	0.6
97.06594	2.1
105.25544	0.5
108.43925	0.5
112.92236	0.6
113.06084	11.5
121.06602	1.3
123.08158	2.0
135.08147	0.7
137.09702	3.0
149.24361	0.5
151.11354	0.8
187.14853	1.0
203.14355	1.0
205.12332	0.6
205.15970	4.6
249.14957	100.0
250.15282	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	249.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14751	0.9
57.03452	100.0
59.01379	2.2
67.39303	1.1
69.03475	1.1
69.19655	0.9
71.05022	1.2
71.62926	1.2
72.99315	2.0
79.05530	1.6
79.95760	2.7
80.02688	1.5
81.03461	7.3
83.05033	11.3
91.05560	1.8
95.95227	2.2
96.96021	17.9
97.02964	3.2
97.06569	1.0
107.05008	1.2
109.06616	7.1
111.08149	3.9
119.08712	1.5
121.06602	10.2
125.06075	2.2
133.06584	2.3
135.08174	47.9
147.08163	17.6
155.50391	1.3
161.09750	2.3
163.11284	7.6
173.06090	1.1
175.07610	2.2
187.11282	22.0
190.10158	1.2
191.10834	1.2
204.04256	6.9
205.12329	20.9
219.06644	4.2
231.10220	3.6
249.08005	15.4
249.11314	83.1
249.15034	4.4
250.11662	3.9
250.14479	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1131
Annotation	delta-CEHC
Peak:m/z	Relative Intensity
54.32786	0.7
57.03424	0.8
58.19408	0.8
70.26839	2.9
88.36414	0.9
148.34860	1.0
161.33661	0.8
184.94907	0.9
205.12329	100.0
206.12685	5.3
216.17693	0.8
249.11330	23.9
250.11617	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1131
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
57.03430	0.7
59.01392	0.6
69.30417	0.3
69.71040	2.4
83.05015	0.8
83.17333	0.4
85.06580	0.4
98.20592	0.8
103.70309	0.4
107.27322	0.4
121.06630	0.7
123.04515	0.4
135.08141	0.6
142.77759	0.4
147.08240	0.5
159.11769	0.4
161.13362	0.7
179.10762	0.6
203.14375	0.8
205.12331	100.0
206.12669	7.2
207.13913	0.5
231.13892	1.1
234.05464	0.7
249.07654	0.7
249.08356	0.7
249.11316	17.8
249.14951	24.6
250.11607	1.0
250.14819	3.3
260.63040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
55.21087	0.4
57.03425	0.6
60.81817	0.4
71.39301	0.4
74.74883	0.3
83.05050	1.9
87.72204	0.4
89.55355	0.4
95.05033	0.5
97.06587	1.4
100.81154	0.4
109.06588	2.3
111.08105	0.5
121.06594	0.5
123.08195	0.6
132.05879	0.4
134.15611	0.4
135.08176	1.1
137.09679	0.6
151.11250	0.5
166.10941	0.4
187.11288	3.8
187.14972	0.6
189.12889	0.8
201.12866	0.8
203.14384	6.8
205.12325	11.7
205.15970	1.6
206.12738	0.8
209.53377	0.4
249.14951	100.0
250.15337	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	247.0645
Annotation	EX-527
Peak:m/z	Relative Intensity
57.65392	0.2
59.01386	0.3
67.07635	0.3
69.49767	2.2
79.95704	1.4
86.21707	0.3
96.96012	94.7
111.08150	0.4
173.08148	0.6
203.10768	0.3
247.06444	100.0
248.06787	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	247.1339
Annotation	Quadrone
Peak:m/z	Relative Intensity
57.03447	1.1
69.03456	8.2
70.20615	2.9
71.05012	1.6
83.05027	11.0
93.03452	4.9
93.07099	1.4
95.05029	43.5
97.06603	4.2
98.19987	1.1
107.05048	2.4
109.06580	1.8
120.05802	1.0
121.06587	4.1
123.08185	0.9
133.06601	1.6
133.10237	1.3
135.08165	12.6
138.12378	0.8
147.11800	1.7
149.09763	1.2
150.75275	0.9
155.89322	0.8
161.13353	1.0
173.09689	1.0
185.13365	6.0
187.11279	2.0
201.12898	1.1
203.14394	33.3
204.14792	3.1
229.12271	2.2
247.13388	100.0
248.13695	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	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24661	0.6
55.49328	0.7
62.75251	0.7
64.67663	0.7
69.03449	2.8
83.05045	0.8
97.06594	10.7
105.07108	1.4
111.04560	0.9
133.06595	3.4
135.08170	1.5
185.13390	2.5
203.14413	49.3
204.14760	2.8
229.10210	0.9
229.12216	3.9
247.13393	100.0
248.13625	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	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.3
69.03454	6.9
69.31393	3.0
77.30418	0.3
83.05012	0.8
83.55972	0.3
95.05040	1.4
97.06592	8.1
97.07185	0.6
98.11121	0.3
98.20647	0.6
119.18118	0.3
135.08144	0.4
141.05611	0.4
187.11255	0.6
203.14418	6.8
219.14101	0.3
221.83498	0.3
222.41214	0.3
229.12335	0.9
234.93681	0.3
247.13379	100.0
248.13721	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	247.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
67.01883	0.8
67.05517	0.3
67.87571	0.2
69.03455	31.7
69.90433	1.6
70.03781	0.5
79.05548	0.3
83.05029	1.9
95.05042	1.4
97.06590	31.7
98.06944	0.8
105.07101	1.6
109.06596	0.7
111.04531	0.9
113.05193	0.2
113.06097	0.8
123.08147	0.7
133.06602	1.1
135.08165	1.8
169.10185	0.8
175.11223	0.3
185.13348	6.1
186.13666	0.5
187.11281	1.4
203.14409	15.7
204.14703	1.2
229.12294	3.1
230.12642	0.3
236.69405	0.3
247.13377	100.0
248.13724	8.5
249.46176	0.2
249.80646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	4.3
69.87612	8.2
69.88003	6.6
71.36813	3.2
83.05032	68.5
93.47244	3.6
97.06601	15.5
107.08676	5.2
133.06610	4.5
133.10245	15.8
135.08188	4.8
141.32629	3.2
141.41928	3.8
147.08151	7.8
159.11830	7.3
160.09052	3.5
163.11288	7.6
185.13354	21.2
201.12941	7.4
203.14418	100.0
204.14627	5.0
223.41353	3.8
229.12364	10.8
247.13411	57.5
247.20665	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	247.1702
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.59306	0.1
52.71954	0.1
62.84405	0.1
69.03448	0.3
71.63680	0.2
83.05015	0.3
84.02580	0.1
95.05009	0.2
97.06594	0.4
99.69655	0.1
116.30054	0.1
137.17050	0.1
185.13327	0.2
188.08464	0.3
203.10777	0.2
203.14360	0.6
204.14932	0.2
205.15919	0.3
220.17049	0.4
231.14017	0.7
247.17035	100.0
248.08046	0.3
248.17361	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	249.0802
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
79.95700	1.3
80.96532	0.2
96.96011	36.6
98.20702	0.8
111.48862	0.2
119.05377	2.1
132.81895	0.2
230.58327	0.3
249.08003	100.0
250.08334	5.2
250.14578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0802
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
57.03465	0.2
59.01377	1.5
70.16241	0.2
71.01389	1.1
71.61158	0.3
72.45625	0.2
73.02925	0.5
79.95693	1.3
83.01404	0.3
85.02953	0.7
87.00883	0.5
89.02444	0.2
93.03474	0.3
95.95231	0.4
96.96011	39.5
101.02430	0.4
105.05540	0.2
119.05376	2.4
135.04532	3.0
163.03992	0.2
189.05887	0.3
205.12354	0.2
205.15962	0.2
207.06981	0.3
234.01660	0.3
243.36284	0.2
249.08009	100.0
249.12331	3.7
249.14998	1.5
250.08360	5.1
250.14485	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47254	2.4
71.45922	5.1
73.02933	5.9
80.18412	2.7
81.03442	9.0
95.05024	3.0
107.05039	43.1
107.87804	2.2
109.06602	2.6
121.06572	4.8
133.06590	14.5
147.08174	3.8
159.08122	3.0
164.46126	2.2
171.08154	17.3
173.09882	2.6
185.09680	15.7
187.07677	9.1
197.09698	3.1
198.58269	3.1
199.11246	4.6
201.12851	96.0
202.13187	5.4
211.07664	3.1
212.08464	3.2
225.09215	3.0
227.10774	88.8
228.11118	9.3
245.11826	100.0
246.12169	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	245.1183
Annotation	Preeupatundin
Peak:m/z	Relative Intensity
71.30042	1.5
83.05027	0.9
91.05517	1.2
104.00968	0.9
107.05060	0.9
119.05010	2.8
119.08667	33.4
120.08978	1.8
121.06596	1.2
129.07010	0.8
133.06598	3.4
143.08644	1.9
147.08163	83.4
148.08508	3.5
159.08063	0.9
163.07642	5.3
169.10310	1.2
171.08150	3.3
173.09785	1.3
181.10242	17.6
182.10620	1.9
183.11778	80.3
184.12144	5.7
197.09700	2.1
199.11284	10.2
200.11682	0.9
201.12854	16.9
202.13100	1.9
215.02472	0.8
225.09258	1.1
227.10762	17.5
228.11092	1.6
245.11823	100.0
246.12173	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1182
Annotation	Ryomenin
Peak:m/z	Relative Intensity
57.03445	3.3
69.03456	6.9
83.05031	100.0
84.05350	2.5
88.65347	1.0
89.57023	0.9
91.05537	1.3
95.17204	1.0
105.07131	2.5
113.02444	2.1
119.05077	1.3
119.08673	37.4
120.09002	2.0
129.05492	1.1
133.21049	1.0
141.07126	5.9
159.08194	1.4
163.07614	4.1
169.10272	1.4
183.11839	5.2
183.55588	1.1
199.11267	2.9
201.12851	56.7
202.13210	3.3
217.12482	1.9
245.11833	31.1
246.12106	1.9
250.27051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1182
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
51.35417	0.5
57.03434	0.8
67.05555	0.6
71.39692	0.7
73.02952	2.4
78.68105	0.5
81.03450	3.5
83.05025	0.7
85.76746	0.5
95.05031	2.0
97.02971	1.1
101.94910	0.5
107.05032	43.1
108.05376	1.0
109.06597	2.2
111.04504	0.6
112.08892	0.5
117.07121	0.7
119.08650	1.8
121.02916	0.8
121.06595	9.0
131.08723	0.5
133.06604	12.4
134.06914	0.9
141.23843	0.5
145.06575	0.9
147.08163	14.7
148.08571	0.7
157.06583	2.1
158.07391	0.7
159.08167	2.7
161.09738	0.6
171.08154	6.4
173.06055	1.3
173.09711	2.3
183.11740	3.1
185.09724	7.7
186.10457	2.3
187.07652	2.8
199.11314	4.7
201.05563	1.1
201.12854	80.7
202.13211	5.7
211.07704	0.9
212.08411	1.1
225.09140	0.6
227.10785	30.0
228.11078	1.8
233.11967	1.2
245.11830	100.0
246.12140	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.69173	1.1
57.03453	2.8
59.01386	30.0
60.91318	1.0
61.98838	1.2
70.18020	2.4
70.18436	3.4
71.01385	1.6
71.05007	2.2
73.02949	2.6
81.67963	1.1
82.54018	1.1
93.23113	1.0
97.02965	3.6
97.06543	1.2
99.00912	7.1
111.22645	1.0
120.24167	1.2
125.09737	3.3
127.11316	1.7
139.11292	19.3
142.02696	1.6
143.05006	4.0
155.10817	1.6
155.14432	1.6
163.11333	3.8
171.04533	4.8
175.04039	2.8
181.12332	29.4
183.10266	32.8
183.11816	2.5
187.04018	2.7
197.02454	1.8
197.09692	1.3
197.11673	2.0
199.04001	12.4
199.11578	1.4
199.13396	37.6
200.13620	1.4
201.01924	5.0
201.11304	2.1
207.10258	22.8
215.03418	6.6
225.11324	57.2
226.02731	2.1
226.11635	2.7
242.02202	3.0
243.02971	61.1
243.12366	100.0
243.16212	3.9
244.03238	4.2
244.12856	5.9
244.94244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0817
Annotation	Torachrysone
Peak:m/z	Relative Intensity
57.03448	2.0
59.01362	0.2
59.60864	0.2
67.01878	0.3
80.02670	0.4
80.67874	0.2
81.03465	4.3
83.05022	0.3
88.10284	0.2
90.56216	0.2
93.03454	1.0
95.05020	3.6
97.02951	2.0
105.12135	0.2
108.02164	0.7
109.02953	7.0
119.05047	0.2
121.02947	3.0
122.03753	1.0
123.04519	5.7
131.05040	0.8
133.02980	0.4
133.06587	0.6
135.04520	1.4
139.03986	1.0
143.05008	1.0
143.98001	0.2
145.02957	1.2
146.03743	3.1
147.04541	2.4
149.02438	1.6
149.06128	0.3
150.03192	0.4
157.06613	1.4
158.03761	1.1
159.04515	10.9
160.05313	3.7
161.02475	1.3
161.06071	12.1
162.03239	2.9
162.06476	0.6
163.04051	0.3
171.04492	0.2
171.08327	0.2
172.05260	0.5
173.02437	0.9
173.06076	3.7
174.03230	2.8
174.06822	1.1
175.04005	7.2
175.07628	7.9
176.07997	0.3
181.06564	0.5
183.04517	0.7
184.05290	0.9
185.06050	2.8
186.06749	0.4
187.03999	14.8
188.04776	12.5
189.05263	0.8
199.07602	3.0
201.01955	0.4
201.05539	2.3
201.09348	0.4
202.06334	5.4
203.07126	33.5
204.07430	2.4
209.06033	0.3
211.03958	0.3
212.04790	3.1
215.07120	0.3
217.05034	0.8
217.08710	1.5
227.03636	0.3
227.07118	7.3
228.07408	0.4
230.05818	2.0
245.08167	100.0
246.08511	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	243.0623
Annotation	Uridine
Peak:m/z	Relative Intensity
54.07220	0.7
56.06474	0.8
59.01373	2.2
66.03174	1.1
66.03495	15.0
68.01424	2.1
69.84042	3.3
71.01390	2.8
72.99313	1.0
76.30657	0.6
80.02914	0.7
81.03477	1.1
82.02991	28.3
83.01399	1.7
84.04546	1.0
85.02976	1.3
87.00880	15.0
93.03468	3.8
94.02985	2.5
96.04559	2.0
108.04541	2.8
110.02486	100.0
111.02014	6.1
111.02811	2.5
111.04516	1.6
113.02487	0.9
114.05649	1.2
117.01930	1.3
120.04551	0.9
122.02490	8.9
124.04079	2.6
125.02484	0.8
132.03035	1.4
137.02483	2.2
138.05623	0.9
139.04013	1.1
140.03552	9.8
141.99762	0.7
152.03551	16.5
153.03024	9.1
155.03517	1.8
164.03519	0.9
181.09862	2.6
182.04581	1.1
196.42384	0.8
200.05650	39.3
201.06004	1.3
243.06261	26.9
243.09818	1.7
244.06569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1024
Annotation	Linderalactone
Peak:m/z	Relative Intensity
61.47507	0.7
61.98828	12.7
67.01883	3.3
69.96777	3.3
71.84628	0.6
83.08510	0.7
93.03429	1.1
99.92544	0.8
114.69153	0.8
129.07109	1.4
145.06577	3.5
157.06566	1.7
158.07388	4.3
171.08165	13.8
171.11797	7.5
172.08508	1.2
181.10167	2.4
181.15958	0.9
183.08119	0.9
184.08958	6.5
190.32738	0.6
194.32825	0.7
197.09726	11.8
197.11533	0.6
197.90652	2.0
198.10071	1.5
199.11287	100.0
200.08716	0.7
200.11650	6.9
215.10785	2.3
228.07892	2.8
243.03125	3.9
243.10249	44.3
243.15938	1.9
243.89949	1.7
244.10556	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03447	3.0
59.01381	16.4
60.80817	1.1
61.98840	6.8
69.32899	10.4
71.05018	4.4
77.11058	1.0
83.05014	1.8
87.09576	1.1
91.01925	1.1
93.03465	1.1
97.02943	5.9
97.06615	2.3
99.00885	25.3
110.03731	1.7
111.00883	1.5
121.02935	1.3
123.08159	2.0
125.09753	8.3
127.05542	1.6
127.11279	1.8
130.65237	1.1
135.00873	1.6
135.08154	1.1
139.11313	3.1
142.02719	3.8
143.05006	1.9
155.14407	2.4
159.04474	2.3
163.11302	12.0
171.04427	1.3
171.10216	1.1
172.97829	1.1
181.10478	1.4
181.12340	29.7
182.12686	1.2
183.08165	2.0
183.10277	13.0
191.07332	1.0
197.11887	1.7
198.34349	1.1
199.04030	8.3
199.07683	2.2
199.11348	4.6
199.13402	23.1
200.13759	1.6
201.01930	1.7
201.05478	1.1
207.10274	50.8
208.10681	2.9
215.03404	1.6
225.11340	100.0
226.11647	6.4
243.02992	32.6
243.06862	6.8
243.10419	4.2
243.12373	95.7
243.15889	5.6
244.03362	2.5
244.12653	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	241.181
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
57.03456	4.3
59.01382	6.8
61.98833	10.9
62.96614	0.7
63.84941	0.7
68.60390	0.8
69.03448	1.1
69.52235	5.1
71.01385	6.1
71.05022	6.5
73.02588	0.8
73.02928	3.8
79.95736	0.8
83.01394	1.3
85.02943	1.4
85.06591	3.5
87.39838	0.8
89.02447	2.6
95.65141	0.8
97.02967	2.0
101.02488	1.5
103.92027	3.5
115.04006	1.9
118.91815	0.8
139.07628	2.1
149.91296	1.4
150.81583	1.0
153.01917	0.8
153.12798	1.1
167.14458	2.3
184.00198	6.5
184.50227	1.2
195.17525	1.9
197.03586	0.7
197.15533	1.8
211.06099	1.2
213.91559	1.8
223.17000	5.3
226.06505	1.4
239.16537	2.7
240.90161	0.9
241.04994	1.6
241.07175	2.9
241.09227	16.7
241.14612	4.1
241.18079	100.0
241.21562	6.5
241.57613	1.3
242.18462	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	241.2173
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
50.95588	0.2
56.14175	0.2
59.01389	0.3
61.98830	0.7
71.52316	0.3
79.21923	0.2
82.24232	0.2
87.91119	0.2
89.98100	0.2
101.13100	0.2
103.12109	0.2
103.92049	1.3
121.84548	0.2
136.50175	0.2
154.01443	0.3
160.19739	0.2
188.48308	0.2
213.91644	0.6
222.98782	0.5
241.21724	100.0
242.22049	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	243.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
63.31015	0.5
65.03967	0.8
66.03486	1.5
69.03461	0.6
69.99074	2.9
71.01376	2.0
72.99320	0.9
73.73592	0.6
74.28010	0.7
77.01563	0.5
81.03474	1.1
81.82090	0.6
82.02983	2.7
83.01384	0.8
83.05034	4.5
85.02946	0.8
87.00880	100.0
88.01228	1.7
93.03461	23.9
94.03802	1.1
94.64626	0.6
100.34617	0.6
101.02453	0.8
109.02958	1.2
110.02480	7.4
111.02004	0.7
111.04521	8.5
137.02444	12.2
140.03566	0.9
152.03448	1.0
155.03508	9.1
183.01369	0.8
199.06204	1.1
200.05682	2.8
239.58266	0.7
243.04916	8.2
243.09995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03444	12.3
59.01379	6.5
61.98814	1.2
64.14693	0.7
69.03458	1.5
69.96986	4.4
71.01377	5.2
73.02948	5.0
81.03462	4.2
83.05034	1.5
84.02169	1.4
85.02941	1.5
87.04468	0.9
89.02419	1.2
95.05032	4.1
97.02953	7.0
97.06576	3.1
99.04513	1.5
99.08147	2.5
107.08606	1.1
109.02940	1.4
109.06615	6.2
110.03721	1.6
111.04517	3.5
113.06098	1.2
121.06563	2.4
123.04488	1.8
123.08167	6.8
124.05298	23.6
125.06059	2.7
133.06546	0.9
135.08139	1.7
136.05316	9.8
137.06033	1.0
137.09682	3.6
138.06847	1.6
139.07654	100.0
140.07970	3.9
141.09241	2.1
149.09726	13.7
151.07648	32.8
151.11278	2.9
152.07962	1.9
153.09200	2.1
161.09705	6.7
163.07648	2.7
163.11293	2.4
164.08374	1.9
165.09204	1.5
167.10771	2.6
169.08672	2.7
175.11296	2.4
177.09215	4.3
179.10777	26.0
180.11206	1.1
193.12357	11.1
197.11813	2.8
199.09775	2.6
203.10783	2.8
205.12363	4.8
211.13373	2.5
221.11893	4.1
223.13397	22.8
224.13808	1.4
226.07700	0.9
239.12938	1.2
241.09229	8.0
241.14450	70.3
242.14777	4.0
259.06689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.5
61.30250	1.2
61.98828	5.2
64.35352	1.2
69.03454	1.9
71.01389	8.6
73.02950	6.6
78.24549	1.1
85.02962	3.0
89.02437	5.1
95.01378	1.6
98.20625	4.0
101.02454	4.5
103.92027	1.5
109.02974	2.4
111.00862	1.7
112.14880	1.2
113.02457	2.5
123.00895	7.2
124.01727	1.2
125.02459	1.6
135.00890	4.8
138.03221	4.9
139.00372	1.6
139.03998	5.9
149.02438	2.6
150.03246	3.6
151.00406	1.8
153.01956	25.0
153.05611	3.8
163.00380	76.7
164.00729	2.4
167.03436	1.5
174.51350	1.3
178.02727	90.8
178.76071	1.2
179.03123	3.9
179.10588	1.2
181.01434	40.3
182.01880	1.9
183.06639	29.9
184.06984	1.6
193.05070	57.9
194.05431	3.4
195.02960	3.7
196.03770	8.7
199.04016	2.0
211.02512	4.2
211.06136	100.0
212.06419	4.1
223.06029	1.8
226.04788	16.0
241.05083	4.7
241.07150	45.9
241.09331	22.7
241.14326	2.7
241.21814	4.6
242.07497	2.8
242.09779	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	241.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.41831	0.6
57.03436	1.5
58.00586	2.2
59.01379	37.3
61.67206	0.5
69.03442	0.8
70.96962	1.4
71.01384	35.8
71.92931	0.6
72.99303	1.8
73.02949	22.6
75.09656	0.7
78.74406	0.6
83.01373	2.5
85.02937	9.7
87.00879	1.0
89.02446	21.0
95.01379	0.6
97.02939	4.2
101.02440	16.2
113.02429	4.3
115.04012	6.2
119.03512	3.1
121.05117	1.0
127.04021	1.5
131.03487	2.6
133.05087	0.9
143.03421	0.8
149.04546	2.0
151.06158	1.2
159.64111	0.7
175.61426	0.6
223.08267	2.9
241.09285	100.0
242.09630	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	241.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01356	0.5
55.01882	1.4
57.03445	1.5
58.00595	2.2
59.01382	36.2
64.60152	0.5
69.03454	1.0
69.68288	2.1
69.68697	1.2
71.01382	34.1
72.99314	1.2
73.02949	24.2
74.49693	0.4
76.42246	0.4
78.95911	0.6
79.15842	0.5
83.01368	2.5
85.02951	8.9
86.61621	0.5
89.02451	21.0
91.02903	0.8
94.83843	0.5
95.01413	0.5
97.02937	4.6
98.13548	0.5
101.02445	16.2
103.04078	0.7
109.02988	0.7
112.07682	0.9
112.98783	0.6
113.02441	5.2
115.04008	7.6
119.03471	3.0
121.05050	1.3
127.04011	0.8
131.03529	2.2
133.05067	0.7
149.04549	1.8
151.06146	1.1
152.96010	0.5
177.01964	0.6
196.06111	0.5
211.89929	0.5
223.08328	2.5
241.09299	100.0
242.06725	2.1
242.09671	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	241.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.2
59.01389	33.3
61.98838	79.6
62.91954	5.2
65.25514	4.8
68.76208	5.2
68.80469	4.4
69.79797	30.7
71.01393	35.6
72.23214	5.4
72.99332	5.8
73.02934	27.8
83.01404	8.8
85.02986	11.5
89.02459	14.5
91.87355	4.9
97.03017	5.4
97.06607	14.1
101.02453	19.7
103.92051	22.7
105.57366	5.0
113.02499	5.9
115.03977	8.3
118.91896	4.8
119.03564	5.9
125.09835	5.1
139.07680	15.7
149.91345	13.9
181.06622	6.2
184.00186	17.0
197.06012	5.8
197.09773	11.8
197.15440	11.4
213.09265	9.4
213.91687	16.1
222.98730	6.1
225.02507	6.3
241.02570	16.8
241.05122	13.0
241.06927	8.2
241.09171	100.0
241.14418	40.5
241.18205	46.1
241.21729	47.3
242.17729	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	239.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01699	1.1
61.98840	0.5
62.26397	0.5
67.53017	0.4
71.31245	1.1
73.93492	0.5
87.00877	1.0
90.38183	0.6
95.68845	0.4
100.36064	0.4
106.42336	0.4
177.16489	2.0
179.05623	1.7
179.14429	1.7
223.02881	1.2
239.06911	1.2
239.16537	22.7
240.16881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Chokol F
Peak:m/z	Relative Intensity
50.05739	0.2
53.24694	0.2
54.79345	0.2
57.03425	0.4
59.01381	2.0
61.23618	0.2
61.98834	0.9
71.01374	0.7
71.58968	0.2
71.63905	0.2
73.51570	0.2
81.03430	0.2
83.05035	0.2
85.02975	0.4
87.00875	0.4
89.02464	0.3
101.02466	0.3
133.40952	0.2
146.59225	0.3
151.11249	0.3
161.04504	0.3
179.05618	1.1
195.13947	0.4
210.94215	0.2
217.63095	0.2
221.15408	0.7
223.02789	0.7
239.16516	100.0
240.16853	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	239.1654
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
50.45769	0.7
52.11533	0.9
55.63591	0.9
57.03452	20.3
59.01385	70.1
61.98837	2.9
63.74281	0.9
69.03473	1.4
69.34682	8.0
71.01389	10.5
73.98269	0.7
83.05047	1.1
85.06601	3.7
87.00879	0.9
87.04528	1.5
95.05035	1.5
101.06094	7.6
109.06575	4.4
111.08167	4.3
115.04005	8.8
122.03775	1.2
125.09760	1.2
135.11794	1.4
139.04022	13.8
151.11316	1.7
154.06375	29.3
155.06755	0.9
155.08687	12.9
156.08978	1.4
167.14435	17.2
168.14783	0.9
179.05597	5.9
179.10825	5.1
179.14442	1.5
182.05876	3.4
183.08154	2.5
195.13921	90.5
195.17613	5.3
196.14268	5.7
201.09204	1.6
211.07660	84.8
212.08003	5.9
221.15515	6.8
223.02827	2.5
239.07162	100.0
239.13004	6.6
239.16544	84.3
240.07494	8.8
240.16901	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	239.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10061	0.5
57.03452	1.8
59.01381	100.0
60.01722	1.2
60.99311	0.6
61.98828	3.2
69.03475	1.0
71.01420	0.7
71.63116	0.7
83.05029	0.7
83.62224	0.6
85.02954	1.3
87.00877	2.0
88.40491	0.6
95.01381	0.8
97.02938	0.5
97.06627	0.7
113.09731	0.7
116.24470	0.6
125.09691	0.6
127.11337	0.8
134.67781	0.5
151.11404	0.6
154.06320	1.9
161.04514	1.6
167.14397	0.6
177.12839	0.7
179.05611	7.5
195.13892	5.3
195.17552	1.3
211.07613	1.3
223.02805	4.2
224.03041	0.8
239.07123	1.2
239.13019	2.8
239.16521	29.5
240.16833	1.0
240.58247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1652
Annotation	Chokol F
Peak:m/z	Relative Intensity
59.01383	100.0
60.01721	1.0
67.05908	0.5
70.02694	2.9
79.59031	0.5
85.43512	0.5
98.20613	0.9
154.06281	0.6
177.16473	2.2
179.05620	1.5
179.14415	1.8
203.90343	0.6
223.02922	1.0
239.16518	24.2
240.16931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1652
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
51.85116	0.5
57.03449	22.7
59.01374	3.9
61.98818	1.8
69.03452	0.8
71.01363	0.6
71.31828	0.8
83.05022	0.5
101.06084	2.3
127.69352	0.5
151.11290	0.6
161.04503	0.6
169.12291	1.2
179.05574	2.8
179.14363	0.8
195.17549	3.6
208.10347	0.5
217.37405	0.7
221.15443	2.6
223.02820	1.9
228.61356	0.7
237.51193	0.6
239.16507	100.0
240.16908	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	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48529	1.0
55.01881	6.6
57.03439	1.9
57.28624	1.0
58.00582	3.3
59.01379	83.9
60.01720	1.5
60.88195	1.3
69.03477	1.1
69.76076	6.3
71.01384	100.0
72.99302	3.7
73.02959	8.6
79.72105	1.1
83.01392	11.3
85.02954	12.8
87.00856	3.9
88.15350	1.2
89.02447	72.4
90.02758	1.4
97.02941	3.1
98.20647	1.0
99.00849	1.8
101.02444	75.8
111.04486	1.7
113.02448	10.0
119.03493	13.8
131.03496	12.1
143.03491	3.1
149.04550	4.5
161.04555	2.8
174.05797	1.2
195.18938	1.0
221.06699	12.1
239.07616	7.2
247.91451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
57.50021	0.3
59.01377	8.8
59.60722	0.3
66.08915	0.3
71.01365	1.2
71.28077	0.6
95.01365	0.4
95.05022	1.5
101.06070	8.5
102.06403	0.4
109.06584	4.7
111.08160	5.4
115.04002	0.8
122.03721	0.7
125.09705	1.0
135.11748	0.7
138.06894	0.5
139.04008	14.6
151.11247	0.6
154.06355	33.5
155.06696	1.3
155.08672	1.4
167.14418	10.6
168.14844	0.4
179.05609	1.4
179.10756	4.1
182.05843	3.4
195.13890	100.0
196.05844	0.3
196.14224	5.3
206.09976	0.3
211.07607	8.6
221.15433	0.8
223.02803	0.7
239.07118	9.8
239.12843	7.3
239.16519	9.3
240.07463	0.9
240.13216	0.6
240.16714	0.7
246.45035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
53.12324	0.3
57.03448	1.4
58.58681	0.4
59.01382	7.2
60.99295	0.9
61.98834	2.8
69.03423	0.4
69.43833	1.8
69.44261	1.0
71.01371	0.4
73.02944	3.1
74.99068	0.4
83.05018	0.7
85.02956	2.6
85.06589	8.9
85.07393	0.4
87.00869	1.0
95.01370	0.4
95.05009	0.9
97.06588	1.2
98.20567	0.7
99.00832	0.4
123.08144	0.4
125.09732	2.5
149.09766	0.4
151.11296	3.2
153.12833	1.7
161.04570	1.0
179.05611	4.7
193.15970	2.7
195.13950	0.8
195.17532	6.0
196.17929	0.4
210.94240	0.4
221.15497	1.8
223.02853	3.0
224.02805	0.4
238.86955	0.5
239.07008	1.2
239.16519	100.0
240.16841	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	237.1498
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
56.37790	0.7
57.03453	14.3
57.71493	0.7
59.01384	5.7
59.16371	0.7
61.98828	3.2
69.03443	0.9
71.01384	3.2
71.05023	3.5
73.02968	0.8
75.00883	1.6
81.03479	1.0
83.05051	1.7
85.02957	4.2
87.00889	1.3
87.64024	0.7
99.04528	7.7
101.02436	2.2
101.17185	0.8
111.08195	4.7
115.00347	1.0
120.99609	1.3
121.06507	0.8
123.08180	2.7
149.06171	0.8
149.09735	1.0
151.11292	1.1
161.02467	1.2
175.14873	2.1
179.10829	1.3
182.24515	0.7
191.14355	4.6
193.08650	1.0
193.12360	1.0
193.16019	10.5
200.06937	1.0
219.13861	1.4
237.11171	3.7
237.14970	100.0
238.15349	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	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
55.01865	1.2
57.03461	1.1
58.00581	1.8
59.01375	38.8
61.98827	4.1
70.90336	1.2
70.90687	1.3
71.01384	13.2
71.53802	0.7
72.99303	3.1
73.02945	4.1
83.01389	2.6
85.02947	2.0
87.00876	2.2
87.92038	1.0
88.02134	0.8
89.02438	11.8
92.02698	2.1
93.03458	53.6
95.01370	5.5
101.02447	12.7
104.17662	1.0
105.01975	1.9
107.05032	5.2
108.02151	4.5
119.03507	1.5
121.02972	1.6
123.04505	1.7
133.02957	1.1
135.04544	4.7
136.01660	38.4
137.02448	60.4
138.02841	1.9
149.02391	2.4
151.04037	4.1
179.03496	100.0
179.05450	3.4
180.03860	3.1
180.77299	0.8
221.04459	1.2
223.02812	3.4
224.03120	2.0
239.05597	66.3
239.12715	1.6
240.05878	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	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.14067	0.5
57.03448	44.3
58.03790	0.6
58.50227	0.4
59.01380	3.7
61.98816	2.1
70.15038	1.0
70.15425	1.3
71.01373	1.3
73.02960	1.1
74.83227	0.5
75.00858	0.5
81.03498	0.6
83.05001	1.3
85.02949	2.1
86.07177	0.4
87.00372	1.0
87.00874	10.8
98.19995	0.6
99.04501	4.6
101.02406	0.8
104.10951	0.6
111.08113	0.5
113.02440	0.5
118.90656	0.5
121.02971	0.6
123.08106	0.5
137.09715	0.6
169.22261	0.5
175.11168	0.6
179.10799	0.8
180.07965	0.6
191.14403	4.4
193.12166	0.5
193.15981	1.7
218.93962	0.5
219.13882	2.7
221.03828	0.5
221.19058	0.5
237.14946	100.0
238.15302	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	237.1496
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.60171	0.7
57.03439	4.3
59.01380	100.0
60.01716	1.1
61.98825	5.9
69.03451	2.3
69.32924	5.5
69.33338	1.3
71.01381	2.8
73.02928	0.9
75.00878	1.1
83.05064	1.8
85.02983	1.1
87.00867	1.1
91.84035	0.8
96.96008	5.1
97.06628	1.5
99.04526	1.3
101.02435	1.6
109.06624	1.2
113.02453	0.9
113.09717	1.3
120.99661	1.0
121.02975	1.1
125.09758	1.0
139.11284	8.8
146.73581	0.7
161.02448	1.1
164.89511	1.4
165.12878	1.5
175.14874	4.6
177.05519	0.7
177.12825	1.3
179.10753	4.2
193.15961	8.7
206.96649	0.7
218.99327	0.9
219.14072	1.3
237.05704	1.0
237.07738	1.6
237.11526	4.9
237.14944	51.9
238.15262	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	237.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29200	0.4
54.07988	0.5
55.01879	0.8
57.03465	0.7
57.58557	0.5
59.01379	6.0
66.33278	0.5
69.88365	1.9
69.88775	1.0
71.01382	32.4
72.01730	0.6
72.99303	1.3
73.02942	2.8
74.99110	0.6
75.00861	2.5
81.03458	0.5
83.01387	1.5
85.02950	4.0
87.00883	2.1
89.02444	1.8
95.01414	0.8
98.19890	0.9
99.00883	1.5
101.02445	6.7
105.00169	8.3
110.02488	0.5
113.02424	2.7
115.00373	71.8
116.00713	1.5
120.99654	100.0
122.00015	1.6
122.47569	0.5
125.02457	1.1
129.01906	0.7
148.99139	6.6
159.03059	0.6
161.04565	1.9
205.03500	0.7
237.00725	11.0
237.04066	0.6
237.06087	1.8
237.09821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.45529	0.5
57.03450	2.5
59.01376	3.3
70.61047	1.0
71.01379	3.2
72.99316	0.7
73.02957	0.6
75.00875	10.4
78.95918	2.0
83.01402	0.6
85.02950	2.5
87.00879	100.0
88.01218	1.6
89.02470	1.1
96.96956	1.7
101.02415	1.6
112.23012	0.5
117.01943	0.5
123.30110	0.5
129.01949	13.5
140.76913	0.6
147.02928	0.6
147.14380	0.5
203.30348	0.5
205.63516	0.5
219.05038	0.6
237.06155	12.7
238.06589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1704
Annotation	1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
59.01379	2.6
61.98828	0.7
69.51597	2.3
73.02947	1.7
94.02991	0.5
98.19778	0.5
109.01729	0.3
162.89322	0.5
191.14433	0.3
192.11589	0.4
201.41486	0.3
207.13918	1.5
228.05006	0.3
235.13695	4.6
235.17030	100.0
236.10504	0.5
236.17342	6.9
242.78691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77282	0.2
57.03443	0.3
59.01382	1.8
61.98838	0.5
62.58831	0.2
71.12969	0.3
71.13316	0.3
73.02951	3.1
85.02954	0.6
135.04503	0.3
151.07570	0.2
157.82872	0.2
159.19855	0.2
162.89331	0.4
191.07243	0.3
191.10815	0.3
207.13901	0.4
235.17036	100.0
236.10626	0.5
236.17375	6.8
237.68150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32722	0.3
59.01370	0.4
61.98838	0.4
66.17171	0.3
70.40962	0.6
70.41330	0.7
83.58920	0.3
120.55299	0.3
125.02357	0.3
134.03760	0.5
135.04601	0.3
136.05309	0.5
147.04607	0.4
148.05310	9.7
149.05800	0.4
149.09721	1.6
162.06880	0.4
175.07674	0.3
176.08458	0.7
177.09219	42.7
178.09549	2.8
179.10826	0.3
190.10057	2.2
191.10750	0.6
192.11583	31.1
193.11913	1.4
201.09341	0.5
203.07199	0.8
206.09395	0.4
217.08714	2.7
218.07368	0.6
218.09467	9.5
219.09904	0.5
228.17764	0.3
236.10539	100.0
237.10896	6.4
237.14879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69025	0.7
59.01395	0.8
68.27311	0.6
70.03383	2.0
70.03783	1.1
71.01385	25.1
75.00878	1.3
76.10849	0.6
85.02947	0.9
87.00870	4.5
101.47067	0.5
105.00162	10.0
115.00374	67.9
116.00745	1.1
120.99657	100.0
121.99969	1.5
125.67992	0.7
129.01913	0.8
148.99112	6.9
149.02808	0.9
182.56787	0.6
199.19711	0.7
200.60837	0.6
237.00714	10.7
237.06219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01867	5.9
57.55334	1.7
59.01382	28.5
61.81235	1.5
61.98838	9.5
69.34557	9.8
69.34982	5.9
71.01373	3.4
73.02967	2.1
79.95749	2.1
85.02962	3.0
94.02982	4.1
95.05009	2.4
97.06571	5.4
101.02448	2.4
109.06592	8.3
112.01621	3.3
121.06570	3.4
123.08167	4.0
135.04507	1.7
135.08150	3.4
137.09746	10.2
147.08160	2.3
148.05298	2.6
148.08977	3.0
149.09712	4.5
151.00629	1.9
161.06024	2.2
162.89311	5.1
163.11253	7.9
173.13426	2.8
175.11301	1.8
177.09225	5.8
179.37746	1.7
180.07945	3.0
191.07146	2.7
191.10754	3.6
191.14403	49.1
192.11604	3.5
192.14732	2.8
207.13786	2.8
207.95354	2.8
217.12302	23.5
217.15962	1.9
219.07021	2.6
235.05981	3.9
235.09814	6.8
235.13400	100.0
235.17021	10.6
236.10603	11.0
236.13889	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	235.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
70.16023	0.9
98.20673	0.2
98.96381	0.2
179.74919	0.3
235.17038	100.0
236.17355	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	235.1703
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
55.33071	0.3
59.01376	1.0
61.98809	0.4
64.53127	0.3
69.61794	1.1
69.62221	0.9
79.70239	0.3
83.04502	0.3
120.49046	0.3
184.63884	0.3
235.17023	100.0
236.17361	7.3
248.55556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
55.84122	5.2
56.67694	5.4
59.01372	10.3
65.13366	4.7
71.41283	12.0
102.20908	5.0
131.72137	4.5
136.50652	5.3
136.59177	5.8
157.86066	5.2
158.53583	5.8
167.46558	5.5
235.17029	100.0
236.17397	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	233.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
60.32856	0.5
65.38764	0.6
70.00929	1.4
70.01325	1.2
98.19769	0.8
134.46809	0.7
134.82758	0.5
172.95926	0.5
233.15480	100.0
234.15793	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	233.1548
Annotation	Confertifoline
Peak:m/z	Relative Intensity
50.61503	0.5
60.83015	0.5
69.32783	1.4
69.33185	3.1
83.80688	0.5
104.74150	0.5
161.01617	0.5
165.09210	3.3
233.15475	100.0
234.15872	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	233.1548
Annotation	Confertifoline
Peak:m/z	Relative Intensity
59.01375	0.8
67.28207	0.4
69.61931	2.7
91.62454	0.4
118.02521	0.4
134.11447	0.4
151.89435	0.3
192.20073	0.4
233.15482	100.0
234.15823	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	234.0984
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
57.03445	1.8
59.01385	2.7
61.98799	0.5
71.01391	1.8
71.05029	14.2
71.61142	0.8
72.00914	2.0
72.99311	1.0
73.02966	1.0
74.99088	0.7
80.96543	0.6
83.01438	0.6
85.02953	1.4
86.02483	5.6
87.00875	3.8
87.04493	0.6
99.04532	4.5
101.02464	1.4
104.03547	100.0
105.03868	1.5
108.33837	0.5
113.02448	0.5
116.07180	1.4
129.05582	1.0
132.03047	3.1
146.08246	10.2
147.01245	2.0
147.06602	1.1
158.08234	1.5
173.07182	0.6
188.09300	6.9
190.08759	0.6
234.09811	84.8
234.15790	7.5
235.06105	1.1
235.10001	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0977
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
57.03447	1.0
59.01378	1.9
67.01905	0.7
69.61676	3.3
72.08747	0.4
72.69984	0.4
72.82905	0.5
84.25624	0.4
92.51093	0.5
123.04523	0.5
135.08206	0.9
145.10214	1.1
147.11812	18.2
148.05391	0.5
163.07736	0.5
163.11301	3.8
164.11560	0.5
173.09727	0.8
174.06828	0.5
191.10797	100.0
192.11143	5.5
205.12419	1.0
217.12440	0.8
227.22688	0.7
235.06239	1.0
235.09795	11.3
235.13286	2.5
235.16750	0.5
236.10307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1182
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
55.20413	0.5
55.69529	0.5
57.03435	0.8
59.01382	29.8
67.01868	0.6
71.62984	0.6
74.38981	0.5
78.39413	0.6
79.09106	0.5
79.81159	0.5
82.60516	0.6
83.05040	2.7
85.02924	0.8
93.03458	1.7
95.05043	0.9
97.06609	1.0
107.08662	2.1
108.02153	0.5
119.05063	0.6
121.06609	3.4
123.08113	1.0
125.02444	1.8
135.08173	0.9
137.06041	0.8
142.08629	0.5
145.02882	0.8
147.08124	0.7
149.06134	0.6
160.89220	1.3
161.06049	0.6
161.13347	1.0
163.07545	0.9
163.11229	2.2
165.05566	2.2
173.04550	1.7
187.11288	0.8
188.98535	2.4
189.09169	0.9
189.12842	5.1
205.10417	0.7
205.12317	1.8
205.15984	1.2
205.64835	0.6
232.97441	1.4
233.08160	1.7
233.11922	28.1
233.15454	100.0
233.97597	0.6
234.12065	1.6
234.15750	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	233.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20413	0.5
55.69529	0.5
57.03435	0.8
59.01382	29.8
67.01868	0.6
71.62984	0.6
74.38981	0.5
78.39413	0.6
79.09106	0.5
79.81159	0.5
82.60516	0.6
83.05040	2.7
85.02924	0.8
93.03458	1.7
95.05043	0.9
97.06609	1.0
107.08662	2.1
108.02153	0.5
119.05063	0.6
121.06609	3.4
123.08113	1.0
125.02444	1.8
135.08173	0.9
137.06041	0.8
142.08629	0.5
145.02882	0.8
147.08124	0.7
149.06134	0.6
160.89220	1.3
161.06049	0.6
161.13347	1.0
163.07545	0.9
163.11229	2.2
165.05566	2.2
173.04550	1.7
187.11288	0.8
188.98535	2.4
189.09169	0.9
189.12842	5.1
205.10417	0.7
205.12317	1.8
205.15984	1.2
205.64835	0.6
232.97441	1.4
233.08160	1.7
233.11922	28.1
233.15454	100.0
233.97597	0.6
234.12065	1.6
234.15750	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	231.1391
Annotation	alantolactone
Peak:m/z	Relative Intensity
59.01388	3.4
69.89323	0.4
70.08391	2.0
84.43383	0.4
89.58472	0.4
100.92642	0.5
102.48607	0.5
138.30208	0.4
158.89357	0.8
159.11794	1.0
159.89352	0.6
165.37827	0.5
185.13197	0.6
187.07668	0.5
187.14890	2.4
203.10742	1.6
213.12869	4.1
216.04306	0.6
219.90540	0.4
231.10208	4.4
231.13904	100.0
232.14258	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	233.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45621	1.3
79.95767	0.9
83.24017	0.2
95.95266	0.2
96.96011	32.1
98.20690	0.3
129.89836	0.2
151.11275	0.2
152.00638	0.2
153.12875	0.3
233.08513	100.0
234.08826	5.1
235.18925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0853
Annotation	CHEBI:83082
Peak:m/z	Relative Intensity
54.40339	0.2
70.39404	0.5
73.17396	0.2
73.80860	0.2
74.20144	0.2
79.95773	1.2
88.50292	0.2
96.96011	32.1
151.11279	0.3
233.08524	100.0
234.08841	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06790	0.3
59.01379	1.9
59.96716	0.4
60.97513	0.7
65.30991	0.3
65.39159	0.4
70.40081	0.3
70.40421	1.0
73.51461	0.3
74.99071	8.2
74.99497	0.4
75.96275	0.4
91.02232	0.7
93.00127	2.6
118.96281	1.0
134.99402	7.7
136.97327	2.4
143.05374	0.7
149.00954	73.1
150.00941	2.7
150.98868	0.8
159.08459	2.4
161.06372	3.7
162.06670	0.3
187.45866	0.3
190.09862	0.4
215.05650	1.4
217.07201	99.9
218.07350	7.3
233.10333	100.0
233.15300	9.6
234.10474	8.4
234.15726	0.4
235.08331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0515
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
54.40619	0.6
59.01377	1.7
59.68008	0.6
65.86707	0.7
69.03493	0.9
71.01384	0.7
71.52789	1.1
72.99307	0.8
80.05059	3.3
92.05059	6.5
94.02999	0.6
94.06625	19.4
96.04565	1.4
97.06583	0.6
104.05064	0.8
105.57696	0.7
107.03762	4.4
108.04566	2.8
110.06110	0.9
110.79636	0.7
112.04086	0.9
120.04562	3.0
122.06123	100.0
123.06446	2.7
138.05576	3.7
140.07141	3.5
144.04564	3.5
151.12854	0.6
166.05095	55.7
167.05446	2.1
184.04527	1.2
184.06154	7.8
184.07678	1.3
184.14154	1.2
210.04108	4.0
228.01857	1.7
228.05119	23.8
228.08540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03452	1.5
59.01386	2.4
65.25701	0.3
67.12231	0.4
70.29955	0.9
70.30318	0.7
71.05017	0.8
71.44349	0.3
83.05021	0.6
84.02172	0.5
85.02947	0.7
97.06580	0.4
98.20549	0.4
108.58579	0.4
123.08192	0.4
125.09739	2.8
127.11321	3.9
141.07100	0.5
149.13345	1.0
151.11327	2.2
155.14403	1.5
156.77481	0.3
165.12814	0.8
167.14464	2.3
171.10307	4.1
183.13914	1.5
185.06024	0.6
185.11821	1.7
209.11873	3.3
211.13435	11.4
212.13750	0.5
229.05092	1.1
229.14453	100.0
230.14774	5.4
246.34474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1025
Annotation	Drupanin
Peak:m/z	Relative Intensity
59.01390	18.7
68.40477	3.7
69.03439	4.5
69.34312	38.1
84.82545	4.3
116.17684	3.9
123.93034	4.1
152.65193	4.1
157.10196	18.1
159.11786	21.7
187.11218	11.2
203.10762	58.5
204.11066	4.8
216.04205	6.6
216.07982	4.5
231.06581	14.6
231.10289	100.0
231.13896	44.6
231.17526	18.9
232.10632	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	231.1026
Annotation	Drupanin
Peak:m/z	Relative Intensity
57.03442	1.0
59.01383	2.3
69.03452	1.4
69.51505	0.6
69.51826	5.2
81.03452	0.9
95.05038	0.8
100.47472	0.6
105.07069	1.0
107.05049	0.9
109.06599	0.6
114.96625	0.6
117.07107	0.9
121.06593	4.9
131.05072	1.1
131.08643	1.1
133.06578	8.2
145.06580	7.2
145.10207	2.1
147.08214	1.3
157.06586	1.2
159.08154	5.0
159.11856	0.8
169.06551	0.6
169.10243	1.7
171.08147	2.8
172.05383	0.7
172.08936	1.9
173.06116	1.1
173.09598	0.8
183.08160	0.9
185.09639	4.1
185.82196	0.7
187.11279	100.0
188.08423	1.1
188.11641	6.1
201.09207	2.1
203.10793	1.3
203.14488	1.0
205.12363	0.7
216.04323	0.9
216.07892	0.9
231.03055	1.2
231.06570	2.2
231.10257	32.0
231.13771	9.4
231.17560	1.7
232.10464	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	231.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69828	0.7
59.01379	0.8
63.10071	0.9
64.59369	0.7
70.94553	2.1
78.05802	0.7
175.11153	0.8
187.14960	3.3
213.12881	1.7
231.10176	2.9
231.13898	100.0
232.14243	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	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
51.34166	0.4
57.03448	0.7
59.01377	0.8
63.10658	0.4
71.05016	1.0
71.39980	0.6
71.40322	0.6
73.39070	0.5
80.02700	1.5
81.03452	2.2
83.01416	0.6
83.05033	7.3
84.02178	3.6
95.05013	1.1
97.06613	0.7
123.00884	0.8
123.08125	0.8
125.06084	1.2
135.08151	0.8
139.11296	0.5
153.00668	0.5
157.08788	0.5
163.11295	6.6
165.12868	5.5
169.12437	0.7
181.12404	0.8
183.00507	2.1
183.13893	3.8
191.10838	1.3
199.13403	2.4
209.11845	100.0
210.12164	4.3
227.03191	2.3
227.12886	5.2
227.16522	0.9
227.20152	1.9
228.13234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.63168	0.5
59.51613	0.4
60.42632	0.4
62.60616	0.3
70.27818	0.4
78.21310	0.4
98.19843	0.9
104.87965	0.4
111.08147	1.1
165.12854	16.6
166.13182	0.6
183.13904	100.0
184.14276	4.9
209.11824	1.5
227.10960	0.8
227.12894	16.9
227.20135	0.7
228.13104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1653
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
59.01386	100.0
60.01729	1.0
61.98831	0.9
66.68336	0.6
70.29900	1.5
74.34668	0.6
87.00890	1.6
95.01391	0.5
99.92598	0.9
111.00906	0.5
165.12862	1.9
167.14423	5.8
180.83136	0.8
181.15991	0.9
183.11658	0.7
183.12012	0.7
183.13910	11.5
189.93575	0.6
199.11212	0.6
199.13406	0.6
200.58907	0.5
209.11772	2.0
211.07747	0.8
212.40898	0.5
227.07205	1.1
227.10721	4.7
227.12865	4.7
227.16536	33.7
227.19965	6.3
228.11148	0.6
228.16806	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	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
51.23984	0.4
56.58108	0.4
56.58664	0.4
61.03900	0.5
65.62608	0.4
69.64291	1.7
69.64693	1.0
72.31797	0.4
73.62853	0.4
86.05170	0.5
89.19917	0.4
89.42764	0.5
100.53795	0.5
227.20166	100.0
228.20497	6.4
230.21149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03450	1.4
59.01369	1.6
62.65896	0.6
68.22371	0.7
69.36741	6.6
71.01390	1.0
71.05009	1.7
73.02950	7.4
81.03478	1.3
83.05021	1.4
90.13482	0.6
95.05022	2.4
97.06589	15.0
109.06611	1.4
109.09514	0.7
111.08150	6.2
123.08167	0.9
137.02458	0.9
137.09729	1.3
139.11235	1.7
149.09717	0.8
153.09201	1.1
163.11304	1.9
165.12852	22.7
166.13087	0.8
167.10771	0.8
183.13898	78.0
184.14201	2.5
187.53156	0.7
191.10817	0.9
199.13403	2.4
209.09851	1.3
209.11815	16.6
212.06808	1.0
227.12877	100.0
227.16542	3.8
227.20143	9.4
228.13211	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	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.53289	0.4
57.03453	0.6
59.01373	0.6
69.92001	2.6
71.05009	1.2
71.16314	0.4
76.77589	0.4
80.02673	2.1
81.03459	1.2
83.01407	0.8
83.05027	7.1
84.02182	2.9
93.03452	0.6
95.05022	1.1
97.06598	1.0
109.06609	0.6
125.06091	0.8
125.09700	0.6
135.08170	0.9
137.02467	1.0
139.11310	0.7
153.12863	0.7
163.11311	5.4
165.12822	6.0
179.03462	0.6
181.12378	1.0
183.05695	0.6
183.13908	4.8
184.57932	0.5
191.10835	1.6
194.05864	0.8
199.13358	2.7
209.11827	100.0
210.12206	5.6
227.03424	0.9
227.07140	1.0
227.12849	7.7
227.16510	0.9
227.20207	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	225.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98837	3.1
65.00321	1.9
65.43169	0.3
69.99754	0.4
70.86230	0.7
82.27498	0.3
93.03455	4.2
109.02960	0.4
126.90501	1.0
134.93369	0.3
136.98804	1.4
137.02426	0.8
141.86739	0.8
143.86516	1.4
153.01875	0.4
161.87608	0.3
162.83942	0.7
163.11226	0.4
165.01845	0.3
178.83395	5.8
207.10211	0.5
224.80397	0.7
224.82716	0.4
224.90521	0.9
225.00555	1.6
225.11311	1.4
225.18591	100.0
225.92711	0.7
226.18919	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	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
59.01390	1.5
61.98846	1.6
61.99116	0.3
65.00319	1.3
69.32915	3.0
72.39079	0.3
93.03451	2.7
98.26083	0.3
99.92586	0.3
105.68396	0.3
109.02953	0.3
123.00874	0.3
126.90498	1.5
132.32689	0.3
136.98810	1.3
137.02443	0.6
141.86806	0.8
143.86517	2.1
162.83965	0.6
163.11389	0.4
165.01942	0.5
178.83401	7.0
181.02849	0.3
195.02945	0.5
206.99329	0.8
207.10341	0.4
207.17609	0.4
210.05435	0.8
224.80324	0.6
224.82516	0.6
224.90495	0.6
225.00299	0.8
225.11369	1.5
225.18591	100.0
225.92651	0.5
226.18896	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	227.0925
Annotation	Depdecin
Peak:m/z	Relative Intensity
51.42557	1.1
57.03448	7.8
59.01382	2.5
67.01900	1.5
69.03481	1.4
69.51786	8.9
71.01386	2.4
72.99334	1.2
79.05518	2.7
79.95754	1.5
83.01401	3.0
84.02191	3.7
85.02946	14.6
85.06579	1.6
93.03477	1.7
95.01397	2.5
95.05019	7.8
97.02937	1.6
97.06585	28.7
97.24995	1.2
98.03732	9.1
99.00854	1.4
105.07130	1.7
107.05035	7.7
108.02135	1.4
109.06611	2.2
111.00901	4.8
111.04550	2.2
111.08158	13.7
121.02997	1.7
121.06607	4.7
123.00825	1.2
123.04530	21.9
123.08154	3.7
124.01690	2.0
124.05295	3.5
125.02474	2.2
125.06091	2.9
129.01952	20.6
134.03688	1.9
135.08153	3.3
137.02438	3.4
137.06081	2.3
137.09731	2.0
139.07652	90.6
140.08018	2.7
149.06082	30.5
152.04716	1.3
153.09172	3.2
163.07565	1.9
164.01085	1.5
165.05447	1.3
165.12842	4.1
167.07129	100.0
168.07495	3.4
179.03473	1.9
179.07140	1.4
181.08672	3.1
183.13872	20.1
197.04625	2.5
209.08171	10.8
209.11842	3.4
212.06903	2.7
227.03732	1.6
227.05693	2.6
227.09210	20.9
227.12680	6.8
227.16527	2.1
227.20142	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	225.1132
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03448	1.7
59.01372	4.8
61.98834	5.1
69.03452	0.6
71.01374	0.6
71.62794	0.8
73.02533	1.2
73.02950	22.6
74.48779	0.5
80.72327	0.5
81.03438	0.7
83.05010	1.2
83.93210	0.5
85.02963	0.8
93.03455	4.0
95.05052	1.2
97.06558	0.6
99.04510	0.7
109.02937	1.0
109.06577	1.3
113.06120	1.0
116.67593	0.6
121.02985	0.5
125.06135	0.6
126.90490	0.9
137.02466	2.4
137.09647	1.3
137.16765	0.6
153.09239	0.7
155.88388	0.6
161.09721	0.6
163.11304	11.5
164.11612	1.0
165.01956	2.8
166.09927	0.8
178.83479	0.7
180.04306	2.2
181.12344	100.0
182.12671	5.3
195.03047	3.1
195.06560	2.4
206.99452	0.5
207.10274	4.6
210.05356	4.5
224.90643	0.8
225.00421	1.6
225.02330	0.6
225.05658	1.3
225.07658	1.8
225.11351	13.7
225.14900	15.5
225.18491	0.9
225.92686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.91655	0.4
57.01169	0.4
57.03473	0.9
57.36398	0.5
59.01381	2.7
61.98832	0.5
69.50935	3.6
73.95657	0.5
80.84061	0.5
83.05054	0.7
84.86900	0.5
93.03478	1.4
97.02957	9.2
97.03551	0.7
99.00890	3.1
107.43516	0.5
109.06615	3.2
110.03759	4.1
111.04591	1.1
123.08124	0.7
125.09752	1.4
135.08197	1.5
136.05345	2.0
137.02444	1.3
142.02728	5.9
153.12814	0.9
161.09764	0.5
163.11298	12.8
165.01930	1.4
179.10774	1.6
181.12364	31.6
182.12758	1.5
188.48395	0.6
193.17149	0.5
195.03015	2.1
195.06660	1.2
197.11903	1.0
207.10277	69.0
208.10672	3.1
210.05453	2.8
225.11330	100.0
225.14977	4.3
225.18639	1.5
226.11707	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	225.1496
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.13931	0.4
57.03458	5.2
69.42913	1.0
69.43321	3.0
71.05026	8.2
81.03457	1.5
87.14925	0.4
93.03452	0.5
95.01382	0.4
95.05044	2.7
96.96007	0.8
97.02962	4.4
98.03761	0.7
99.04513	0.8
99.08168	1.8
109.06622	4.2
111.04546	2.6
113.06074	0.5
113.09746	1.6
122.03741	1.1
123.00918	1.1
123.08160	1.1
124.79232	0.4
125.06113	1.0
128.98392	0.5
135.08144	1.2
136.05284	1.7
137.06055	0.9
137.09738	3.6
138.06873	48.2
139.04076	0.5
139.07274	0.8
149.09698	0.6
150.06932	0.6
150.38406	0.4
151.00336	0.4
151.07625	1.7
152.08374	0.8
153.09221	100.0
154.09569	5.1
155.10806	1.1
163.11295	1.8
165.12842	1.4
180.04350	0.9
192.11455	0.7
195.02983	3.0
195.06644	1.0
207.13931	8.6
208.14330	0.5
210.05341	4.3
210.12502	0.5
225.07855	2.7
225.11383	1.5
225.14972	48.7
226.15375	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61874	0.4
57.03448	30.2
58.01416	0.4
59.01377	0.7
69.03457	5.0
69.75492	2.7
71.05021	8.2
81.03461	1.2
82.95201	0.5
83.05028	1.9
95.05037	1.3
97.02955	2.0
97.06586	1.9
107.05030	0.7
109.06599	4.4
111.08175	0.5
119.05025	0.6
121.06593	2.4
121.10229	2.4
123.04548	0.4
123.08165	7.6
125.06107	0.6
125.09721	1.3
135.04535	0.8
135.08160	1.4
136.05333	0.5
137.02431	0.6
137.09727	25.1
138.06859	8.6
138.10030	0.8
147.08162	0.6
149.09734	0.5
151.07683	0.7
151.11288	10.6
152.08441	1.0
153.09215	19.1
153.12828	11.9
154.09540	0.6
154.13107	0.6
155.10738	0.5
163.11287	8.7
165.01921	0.6
167.10878	0.7
177.12889	0.6
179.10684	1.0
179.14442	4.2
181.12346	10.6
182.12694	0.6
189.12825	1.8
191.10770	0.9
195.03011	1.7
195.06683	0.6
195.13892	17.0
196.14250	0.9
197.15469	23.2
198.15793	1.2
205.12320	1.5
207.11963	1.0
207.13887	16.6
208.14264	1.0
210.05344	1.5
218.64241	0.4
225.07655	1.4
225.14960	100.0
226.15320	6.2
241.14386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1495
Annotation	MKN-003C
Peak:m/z	Relative Intensity
57.03432	1.8
59.01380	78.0
61.98515	1.6
61.98829	23.0
62.45703	1.1
65.00314	2.0
71.01381	11.4
71.63519	1.5
93.03456	8.1
97.02973	1.3
108.26377	1.0
109.06580	1.4
111.08193	5.3
125.02423	1.4
125.06075	1.6
126.90450	3.0
136.98837	1.2
137.02490	5.2
137.09734	10.0
151.11319	3.1
152.03972	1.0
153.12860	30.3
154.13100	1.1
163.11305	2.6
165.01894	2.6
165.09245	1.2
165.12830	4.1
178.83406	7.0
179.14410	3.5
180.04236	2.5
181.10188	1.5
181.12329	2.8
181.15971	15.4
195.03017	5.5
195.06656	2.1
206.99294	1.3
207.10257	5.3
207.13818	1.8
210.05476	5.4
224.90552	2.5
225.00427	2.8
225.02451	1.5
225.05647	2.0
225.07680	4.8
225.11635	10.7
225.14960	100.0
225.92664	6.7
226.15379	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	223.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04825	0.4
56.09032	0.4
56.75785	0.5
59.01390	4.5
61.98829	1.3
70.82801	0.6
70.83134	0.7
71.01390	0.9
83.05040	0.5
84.17638	0.4
95.01384	0.8
108.76401	0.5
109.02943	0.9
123.00866	0.9
135.96996	0.4
137.02469	1.7
149.02466	0.6
151.04071	0.5
165.01923	1.7
166.06343	0.7
176.83672	0.6
193.01416	8.0
195.13876	0.7
205.15996	2.3
208.03775	10.9
209.04128	0.7
223.02809	1.6
223.06116	4.5
223.13422	3.0
223.17035	100.0
224.17393	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	223.1703
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
51.92593	0.5
59.01380	6.4
61.98827	0.6
68.24767	0.5
68.91476	0.4
70.14370	1.5
71.01366	0.4
80.84129	0.4
83.05016	2.2
100.32045	0.4
101.02441	0.4
103.16863	0.4
149.13113	0.4
193.01363	0.9
201.13051	0.4
205.15974	4.7
208.03738	1.4
223.17024	100.0
224.17354	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	225.0767
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
55.19730	0.4
59.01381	0.5
69.53214	3.2
71.06537	0.4
80.05034	0.4
81.03448	3.4
83.05025	14.9
93.03452	2.5
95.01382	4.8
96.96013	0.6
97.02931	0.7
109.02957	0.7
111.00892	1.3
119.05016	2.5
121.02960	0.5
123.00883	28.7
123.04520	1.1
124.01196	0.8
125.02432	4.2
125.07122	0.6
135.04535	1.4
137.02467	1.3
138.03189	1.4
139.00375	1.8
139.04021	0.7
143.08252	0.5
149.02443	1.7
151.00363	11.8
152.01128	4.3
153.01984	2.1
153.05527	0.8
163.03989	2.2
164.04790	1.1
165.01962	0.6
165.05487	0.5
166.02736	1.3
167.03516	3.6
173.50363	0.4
177.01929	2.9
181.01521	0.5
181.03297	0.4
181.05028	1.3
192.04245	2.0
195.02977	73.5
196.03314	3.2
207.06607	0.9
207.14999	1.8
209.04524	1.9
210.05327	100.0
211.05710	3.5
225.04051	3.9
225.07669	55.9
225.11281	1.4
225.16087	17.4
225.18330	0.7
226.07970	2.3
226.16345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
69.03432	0.4
69.73692	1.2
69.74104	1.4
73.27630	0.4
73.28084	0.5
78.49685	0.5
81.96722	0.4
89.05193	0.4
93.03462	1.5
94.47400	0.5
95.01386	4.1
97.02952	0.9
110.17696	0.5
111.00877	0.9
123.00883	30.3
123.04518	0.8
125.02473	2.8
137.02452	1.5
138.03261	1.4
139.00385	2.2
139.04033	0.6
140.18620	0.4
149.02425	2.0
151.00366	11.0
151.02245	0.5
151.03868	0.4
152.01180	3.6
153.01920	2.1
153.05605	1.0
164.04753	0.8
165.01918	1.7
165.05531	0.5
166.02759	1.0
166.99780	0.5
167.03511	3.5
177.01912	2.9
180.04230	1.5
192.04245	1.9
195.02980	72.0
195.06696	1.9
196.03317	4.0
207.06607	1.3
209.04610	1.4
210.05328	100.0
211.05698	5.4
224.90588	0.5
225.07674	58.5
225.11299	1.7
226.07990	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	225.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34547	0.6
59.01411	0.6
67.01922	0.7
71.62627	0.7
79.35603	0.6
81.03428	0.7
91.71949	0.5
93.03485	2.1
95.01413	0.9
109.02936	3.5
114.58458	0.5
123.00871	0.7
129.24687	0.5
137.02441	24.3
138.03178	0.9
149.02454	0.6
153.05609	0.8
165.01932	95.2
166.02272	2.9
166.06389	0.9
179.03386	1.3
180.04283	100.0
181.04666	4.3
181.06436	0.9
182.03630	0.8
183.04530	0.9
195.02994	34.7
195.06619	89.2
196.03302	1.4
196.06978	3.8
197.06075	1.5
207.10402	0.6
210.05331	45.7
211.05643	2.1
225.05539	7.6
225.07649	43.9
226.07993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
57.03449	17.9
59.01380	12.7
60.21194	2.0
70.35561	5.7
70.35950	4.0
71.01385	17.7
72.99303	23.5
73.02927	3.9
75.00868	10.0
75.85755	1.9
78.00526	1.7
78.95890	9.5
81.03470	10.0
83.01389	12.1
84.02177	4.4
84.31540	1.9
85.02953	100.0
86.03252	2.3
87.00878	11.7
88.03064	2.3
89.02448	2.5
96.96918	2.2
99.00883	9.8
101.02451	12.6
103.00354	3.3
103.03983	2.6
105.01930	6.4
111.00888	39.2
112.98799	6.1
113.02469	5.2
117.01965	3.4
122.63838	2.2
125.02448	29.3
129.01947	59.0
137.56491	1.9
139.00320	2.4
143.03477	6.8
144.95517	2.5
147.03014	21.6
147.25113	1.8
161.04568	4.4
165.04048	16.2
174.96501	2.2
187.02431	2.6
205.03545	52.4
223.02438	4.5
223.04596	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.9
57.03215	1.6
57.03447	17.3
59.01381	10.9
69.91895	5.8
69.92310	2.8
71.01390	15.1
71.34576	1.2
72.99310	20.9
73.02940	4.5
75.00874	7.8
78.98600	3.8
81.03446	8.0
83.01382	13.2
84.02158	1.8
85.02953	100.0
87.00866	7.5
87.02721	2.4
89.00676	2.0
89.02427	1.7
91.02246	6.6
94.93237	1.4
97.02932	3.0
99.00898	9.1
101.02456	10.2
102.83080	1.5
103.00337	2.4
111.00885	41.5
113.02409	2.8
117.01936	1.9
120.99625	2.2
125.02444	27.0
129.01947	50.9
131.02394	2.2
135.01204	7.2
135.04741	1.9
138.13112	1.2
143.03479	4.9
143.97261	1.5
147.03001	18.3
161.04593	3.4
179.02113	2.2
181.01768	2.0
193.01408	5.1
205.03548	44.5
208.03764	4.9
223.02789	2.3
223.04573	64.1
223.06694	3.3
224.04971	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	223.1341
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
57.03441	1.2
59.01395	6.3
61.98838	1.0
69.03464	7.2
69.82072	3.9
71.01389	1.4
71.05022	2.9
83.05048	2.1
85.06591	2.0
95.05034	1.3
109.06592	1.8
120.22445	0.8
123.00883	1.1
139.35504	0.9
141.09254	1.1
149.09653	1.5
151.11273	0.8
159.08377	0.9
161.13348	1.7
165.01924	1.4
165.61079	1.0
167.10776	8.8
177.12839	1.9
179.10800	4.0
179.14400	11.7
187.11331	1.1
193.01472	5.6
193.02959	0.9
195.13908	28.1
196.14302	2.0
205.12344	23.0
208.03780	7.8
223.02808	1.7
223.06139	2.1
223.13400	100.0
223.17017	3.0
224.13701	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	221.0303
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
57.03446	14.8
58.00594	2.9
59.01382	68.8
69.03468	8.1
69.74407	1.4
71.01386	58.9
71.04140	1.5
71.04494	2.9
71.05002	2.2
72.99318	19.0
73.02950	17.7
74.99101	3.2
75.00888	10.1
79.42499	1.4
80.96523	10.8
81.03471	8.0
83.01391	5.8
84.02166	1.9
85.02956	36.9
87.00874	27.4
87.04510	5.7
89.02460	21.5
95.01417	1.9
97.02947	12.8
99.00914	3.6
99.04533	9.9
101.02453	18.8
105.01933	1.7
111.04520	4.5
112.98781	2.5
113.02463	15.2
115.00388	3.6
115.04012	2.9
117.01958	2.0
125.02448	2.2
125.99588	3.6
129.01950	100.0
130.02299	2.6
130.30815	1.6
131.03516	15.1
133.01462	11.6
134.02737	2.7
134.03641	2.3
139.00372	3.3
140.95865	1.8
141.01936	17.3
143.03514	3.2
157.16708	1.6
159.02985	10.6
161.04567	11.5
170.96130	3.0
191.71463	1.7
203.01947	10.0
221.03163	2.9
221.06671	56.5
222.06935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	K 251-1
Peak:m/z	Relative Intensity
57.03442	1.4
59.01090	0.7
59.01379	9.7
66.64805	0.5
69.03469	1.2
71.01382	6.6
71.65067	0.8
72.99331	0.7
73.02938	2.9
75.00887	0.7
75.26100	0.7
81.03455	0.9
83.01396	1.2
85.02954	6.0
87.00876	5.5
89.02456	3.2
91.01923	0.7
94.02986	0.8
95.01382	0.8
97.02943	0.9
99.00919	0.7
101.02452	6.1
107.01391	3.7
113.02460	4.4
113.59188	0.6
119.01347	1.8
121.02946	0.9
129.01955	1.0
131.03502	2.6
134.03824	0.6
135.00908	12.7
135.08162	2.1
143.03568	0.9
146.71260	0.7
147.00887	1.1
149.02458	0.9
150.03203	1.4
151.82365	0.6
161.04607	1.4
163.00386	24.6
164.00693	0.9
177.01807	0.7
177.12944	0.6
179.07143	1.0
179.10928	0.8
190.99869	94.5
192.00198	3.4
203.10739	1.0
205.01526	0.8
206.02209	100.0
207.02544	4.9
221.04562	24.8
221.06680	12.0
221.11841	4.2
221.15434	0.8
222.04843	1.7
222.06880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0667
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
55.01868	6.0
57.03452	13.7
58.00562	2.3
59.01381	73.8
69.03453	5.7
70.59696	2.5
71.01386	70.5
71.37498	2.9
72.99307	11.6
73.02950	53.8
73.40614	2.3
75.00879	10.1
78.90427	2.7
81.03454	3.6
83.01385	12.8
83.05026	4.5
85.02954	67.8
86.03289	2.4
87.00874	32.6
89.02450	37.8
95.01393	7.0
97.02975	19.2
99.00886	5.7
99.04529	2.9
101.02450	100.0
111.00815	2.8
111.04528	7.1
113.02451	44.6
115.04018	5.6
119.03477	6.0
125.02439	7.5
125.85715	2.8
127.04039	3.2
129.01048	3.7
129.01952	44.1
131.03503	33.6
133.01434	4.2
143.03500	7.4
159.02991	3.1
161.04568	14.5
173.04610	2.7
221.06673	96.4
222.06943	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71914	1.5
55.01886	1.9
57.03443	8.8
58.00592	2.4
59.01091	2.5
59.01380	42.8
59.16563	1.6
69.03463	5.2
70.79392	4.6
71.00988	2.7
71.01381	49.8
72.99309	6.9
73.02948	50.2
75.00872	5.4
80.96512	7.1
81.03459	3.0
83.01395	12.3
83.05037	1.4
83.12788	1.5
85.02957	32.8
87.00884	17.8
87.04465	1.7
89.02449	17.3
95.01413	2.5
97.02950	15.7
99.00880	2.5
99.04525	4.0
101.02447	100.0
102.02785	2.2
111.04507	3.4
113.02441	26.8
114.46954	1.7
115.04008	4.4
125.02432	5.3
129.01944	27.9
131.03506	17.7
141.01936	4.3
143.03477	7.2
159.03009	2.6
161.04582	5.1
162.64090	1.6
203.05658	2.1
221.06662	51.7
221.08730	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	221.1183
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.12913	1.7
57.03453	100.0
59.01382	44.1
65.95692	1.7
69.03461	3.4
70.48035	3.3
70.48360	2.5
71.01392	13.0
72.99303	2.3
73.02966	5.5
75.00868	4.4
81.03485	2.6
83.01386	2.9
83.05023	5.8
85.02955	13.2
87.00893	7.2
89.02445	5.2
93.03485	2.5
97.06609	3.3
101.02444	8.1
107.08664	4.4
109.06596	4.0
113.02474	8.2
121.06584	16.8
123.08174	4.4
124.04017	2.1
129.01944	2.7
131.03497	6.4
133.10298	2.2
133.80452	1.8
135.11807	6.3
136.05322	2.0
143.08604	2.3
145.02933	2.6
145.06554	2.3
146.07426	3.5
147.08255	2.3
149.09770	2.7
151.07655	5.8
159.08224	2.1
159.11804	59.5
160.12135	3.7
161.04549	3.1
161.09729	79.3
161.11078	4.4
162.10144	2.7
172.23123	1.9
175.11258	4.6
177.12859	38.2
178.10040	2.3
178.13206	2.4
179.10782	22.6
188.08459	2.8
190.99889	5.7
193.12471	2.9
200.94688	2.0
203.10768	34.2
203.12650	2.0
203.14398	4.1
204.11398	1.8
206.02257	4.6
206.13124	14.8
216.65123	1.9
221.04523	4.6
221.06573	27.6
221.08434	2.7
221.11885	35.4
221.15436	48.3
221.17706	2.6
222.12144	3.0
222.15816	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	219.139
Annotation	Oblongolide
Peak:m/z	Relative Intensity
57.03436	1.0
61.98828	0.5
68.80008	0.3
69.57079	1.6
71.05019	0.5
74.24756	0.3
79.05564	0.3
79.33013	0.3
83.05022	1.2
85.02929	0.3
93.07091	0.9
95.05006	0.4
98.20673	0.5
107.05043	0.3
109.02944	0.9
111.04527	5.1
119.08645	0.4
120.05826	0.3
121.02937	0.3
121.06580	0.6
122.03787	0.4
125.06071	2.6
125.09760	0.3
127.44670	0.3
133.06599	0.3
135.08159	0.9
136.05338	0.5
137.09731	1.1
146.07262	0.4
147.04552	0.3
147.08154	0.7
148.05330	2.4
149.06050	0.9
149.09717	0.4
151.38638	0.3
161.09726	2.9
162.06853	0.3
162.10089	0.3
163.07655	3.3
164.08461	0.4
170.05850	0.7
171.08195	0.4
175.03990	0.3
175.07651	1.6
175.11288	0.7
175.15216	0.3
177.12843	0.7
184.20630	0.3
186.10423	1.0
188.08395	0.9
189.09222	4.3
189.12866	0.8
190.09489	0.4
191.14417	0.4
193.71060	0.2
196.07458	0.3
201.12854	10.2
202.13115	0.3
203.07571	0.3
203.10785	12.4
204.07857	1.3
204.11540	31.8
205.11885	1.7
206.57123	0.3
219.13895	100.0
219.17117	10.6
220.14220	5.8
220.17703	0.6
236.10603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03448	14.9
59.01379	30.7
69.03450	5.1
69.43916	7.3
71.01385	49.7
72.99311	8.6
73.02950	18.1
74.20901	1.0
75.00873	4.3
81.03456	2.2
83.01382	5.9
83.05019	1.2
85.02950	28.0
86.03275	1.0
87.00878	14.8
87.04514	5.1
89.02448	17.9
95.01369	2.5
97.02953	9.2
99.00894	2.4
99.04510	2.4
101.02444	34.6
103.03970	1.0
111.04512	2.6
113.02452	13.2
115.00372	1.5
115.04016	2.2
119.03500	1.7
124.00217	1.1
125.02427	2.3
127.04021	1.3
129.01945	100.0
130.02296	1.7
131.03510	11.6
133.01416	11.4
133.02983	1.4
133.53743	1.1
134.03606	1.5
141.01932	8.7
143.03476	2.6
148.50998	0.9
149.04594	1.1
159.02995	8.2
161.04532	3.9
173.74475	0.8
178.02560	1.2
203.02087	4.9
221.03085	1.9
221.06642	39.1
222.06815	1.3
235.39120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1391
Annotation	Glutinosone
Peak:m/z	Relative Intensity
57.03437	1.5
59.01371	1.5
59.32853	0.6
59.98532	3.5
61.98836	5.0
66.25152	0.6
71.63347	0.8
81.03447	0.7
83.05042	1.0
87.04508	0.7
92.62016	0.8
119.05115	1.0
119.08644	1.8
119.65563	0.7
121.10214	0.8
123.40681	0.7
135.04512	1.0
135.08267	0.8
158.80547	0.6
164.08417	5.5
172.88367	0.7
175.07561	0.8
175.11264	1.1
191.07108	0.9
201.12885	7.0
202.13298	0.7
219.03056	0.9
219.13924	100.0
219.17462	63.5
220.14246	5.7
220.17776	3.9
224.21191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1391
Annotation	Glutinosone
Peak:m/z	Relative Intensity
54.84771	0.5
57.03436	1.1
59.01385	6.6
61.98843	3.1
62.15757	0.5
66.39385	0.5
66.47499	0.4
71.01396	0.6
71.62825	0.6
72.99308	0.6
75.00882	1.0
80.04943	0.5
82.47563	0.5
83.05034	1.8
85.02935	0.6
90.82600	0.4
91.55280	0.5
95.05054	1.8
97.02954	1.0
109.02939	0.5
109.06641	0.8
117.88863	0.6
121.03018	0.8
133.06535	0.9
147.04526	0.6
147.08185	0.8
149.06104	0.9
155.28433	0.5
159.11816	0.7
161.06059	3.2
163.07697	1.0
163.11322	2.0
164.08409	0.9
175.04161	0.6
175.07680	1.7
175.11337	1.7
175.14897	3.8
176.08456	3.8
177.05559	0.5
177.09210	1.3
177.12880	0.8
191.03685	0.6
191.10770	1.2
191.14421	1.5
201.12828	2.3
201.96234	0.6
203.10753	1.5
204.04138	0.9
204.11560	3.3
219.03069	0.9
219.06705	1.4
219.10350	4.3
219.13933	100.0
219.17467	61.4
220.14285	5.9
220.17824	4.2
233.69685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1391
Annotation	Glutinosone
Peak:m/z	Relative Intensity
50.39996	0.7
52.06889	0.8
57.03451	4.1
59.01385	3.4
61.92323	0.7
61.98831	11.9
69.03464	3.2
70.94753	2.6
71.01387	1.2
71.72956	0.7
73.37395	0.7
75.00861	1.2
79.05511	1.8
81.03494	1.0
83.05029	12.9
85.02954	1.2
93.07098	7.2
95.05040	6.0
97.06601	2.8
99.04532	1.7
105.07158	1.5
107.05058	1.9
109.02940	0.9
109.06592	1.7
111.04520	1.9
119.08660	3.8
121.03014	2.2
121.06598	6.0
123.04614	1.0
123.08164	6.7
131.08688	2.3
133.06593	2.6
135.04526	5.2
135.08162	2.6
137.09737	3.0
147.08167	2.9
149.06071	2.4
149.09738	5.1
172.88425	3.0
175.03957	1.0
175.07587	1.3
175.11288	1.3
175.14909	14.2
176.08379	1.3
189.09212	1.5
189.12978	0.9
201.12798	4.2
204.04279	1.0
204.11580	1.5
211.80757	0.7
218.87646	1.3
219.03093	1.0
219.06657	2.1
219.10374	3.3
219.13934	100.0
219.17477	81.0
220.14320	4.5
220.17886	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	219.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98834	1.1
68.32857	0.3
71.01372	0.3
71.43767	0.4
71.79848	0.3
73.02945	0.3
74.02473	0.6
75.00884	0.5
80.96525	0.3
82.03000	0.2
86.02494	1.3
86.56779	0.3
87.00868	0.7
89.54339	0.2
92.05074	1.9
92.43707	0.2
101.02503	0.3
116.05051	0.4
120.04554	0.7
125.02491	0.3
128.05092	0.5
129.01981	0.2
130.06633	2.3
131.03746	1.3
132.04564	1.3
134.06111	1.3
141.04549	0.5
144.03543	0.3
144.04494	1.7
146.04875	2.9
146.06052	0.3
157.07718	100.0
158.06142	0.6
158.06676	0.3
158.08076	4.8
173.07370	0.3
175.08800	2.7
177.01913	0.3
201.06706	3.9
219.03203	0.5
219.05415	0.6
219.07768	10.3
219.17520	4.7
220.08058	0.5
220.17876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1232
Annotation	3-Hydroxy-14-nor-10-calamenenone
Peak:m/z	Relative Intensity
59.01380	46.8
61.98840	13.7
73.82587	1.7
83.05034	1.7
84.21584	1.7
85.02965	3.0
88.04002	1.9
116.92896	1.9
117.07122	21.4
119.08698	10.8
122.03874	1.7
124.89127	15.5
127.11274	2.0
145.02931	2.9
157.10223	2.4
157.12343	4.4
159.04480	2.1
170.88724	4.4
171.11835	2.4
173.06145	3.4
173.13351	52.6
174.13661	3.3
174.99210	9.9
188.89488	7.6
189.12871	3.8
199.11287	5.0
202.02809	2.2
217.00311	6.5
217.02013	2.2
217.05090	5.3
217.08774	7.9
217.12349	100.0
218.04636	1.9
218.12711	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	217.1235
Annotation	3-Hydroxy-14-nor-10-calamenenone
Peak:m/z	Relative Intensity
53.63728	0.3
57.03421	0.2
59.01383	1.0
66.51476	0.3
67.01875	0.5
69.03461	0.6
71.05022	0.9
71.40268	0.3
73.27457	0.3
81.03482	0.5
83.05032	11.4
83.05532	0.6
95.05035	0.5
97.02924	0.3
97.06576	0.4
105.07101	0.8
106.04254	0.9
107.05054	1.6
107.93874	0.3
109.02959	0.7
109.06612	1.0
110.03716	0.5
120.05836	0.3
121.06608	17.8
122.06959	0.5
123.08179	0.8
125.02460	3.0
133.06606	7.9
135.04497	0.5
135.08138	0.6
136.05310	0.3
137.06088	1.0
142.02718	1.3
145.06593	5.3
146.07104	0.3
147.08165	1.1
148.05154	0.3
149.06091	2.4
155.10831	0.4
159.04469	0.6
159.08153	0.8
161.06027	0.3
161.09694	1.6
167.52094	0.3
171.08203	0.6
173.06068	0.9
173.09740	0.6
175.11307	0.8
183.08148	2.6
184.08754	0.4
186.06908	0.9
187.07654	22.8
188.08022	1.0
189.09245	0.7
189.12868	2.7
197.09760	0.5
199.07599	0.3
199.11287	4.0
199.12947	0.4
200.08513	0.4
200.11562	0.4
201.09247	3.7
202.09999	10.3
203.10320	0.7
211.43541	0.3
217.12344	100.0
218.12691	5.5
234.09041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76603	1.0
52.59820	1.3
55.19302	1.2
57.03465	1.6
59.01388	5.6
65.03953	1.1
68.06668	1.3
70.23410	4.2
71.01394	2.7
71.05028	7.0
72.99314	26.5
79.95747	3.4
80.96514	9.5
81.03452	12.3
81.95325	3.5
81.96189	1.3
82.03014	2.5
82.96094	7.1
83.01405	1.5
83.05028	59.4
84.05369	1.7
85.02940	5.8
87.00874	7.5
88.04059	4.2
89.04414	1.2
93.03482	4.3
96.96005	12.6
97.02972	3.8
98.02483	2.1
98.20001	1.7
99.00912	1.8
99.04521	3.9
100.04082	1.5
100.07693	5.4
101.02409	1.6
102.05613	7.1
109.02981	3.2
111.00899	4.5
111.04522	51.2
112.04019	1.4
113.02466	3.1
115.04016	23.9
126.32407	1.1
127.00407	3.4
127.04018	100.0
128.03548	7.5
128.04385	3.1
128.07173	5.4
128.94875	5.6
129.01927	1.8
129.05615	8.3
137.02446	6.1
146.04582	10.6
146.08234	6.8
146.89844	8.7
148.05217	1.4
155.03508	79.7
156.03841	2.7
156.06659	5.9
157.01479	1.5
171.03027	4.0
173.04521	2.1
174.07820	7.0
189.04103	2.1
198.95425	4.9
199.02501	44.0
199.04199	2.3
200.02873	2.0
200.05644	6.1
216.90558	2.0
216.96388	10.5
217.03528	24.1
217.06937	1.3
218.10356	1.5
225.86812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0825
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
59.01353	3.7
69.90913	3.5
69.91336	1.8
71.01363	1.0
72.00536	1.1
72.00909	15.7
72.99316	1.3
83.05019	1.8
84.44868	0.9
86.02483	100.0
87.02785	1.4
92.05064	90.4
93.05372	2.8
101.40266	0.8
105.17432	1.1
111.04469	1.2
111.49509	0.9
116.05069	93.5
117.05373	3.5
122.89419	5.1
129.05779	3.5
130.06589	2.8
135.82162	0.9
142.06628	40.9
143.06064	2.5
143.07043	1.2
144.00906	5.4
144.08200	12.6
153.09088	1.1
154.06616	7.3
156.06917	9.1
161.04791	2.6
169.07700	14.9
171.09276	89.0
172.09554	4.0
173.08136	2.6
186.89682	2.7
187.03970	1.7
215.01025	35.2
215.03215	2.4
215.08177	54.4
215.12642	2.3
216.06570	2.6
216.08539	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	215.1652
Annotation	11R-hydroxy-dodecanoic acid
Peak:m/z	Relative Intensity
57.82492	0.6
59.01382	100.0
60.01717	1.0
60.99329	0.8
61.98835	2.9
71.01382	1.0
71.26959	1.4
75.00881	0.8
83.05001	1.0
85.51128	0.7
99.00868	0.8
99.92604	1.2
116.92776	0.7
122.89439	10.8
124.52310	0.6
144.00945	4.5
169.15881	1.1
171.01982	1.0
186.89792	6.2
195.98582	0.7
197.12001	1.1
200.08337	0.9
215.00989	37.5
215.07114	1.5
215.10779	4.3
215.12984	1.8
215.14464	1.6
215.16508	28.9
216.01379	0.7
216.06575	1.7
216.16774	1.4
218.36136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45124	0.8
57.03418	0.8
58.38307	0.9
59.01383	100.0
61.98826	6.4
64.76036	1.0
65.00307	1.3
70.86768	1.8
70.87088	0.9
71.01378	1.2
83.05025	1.6
89.02477	1.5
99.00896	1.8
99.92612	1.4
115.92065	1.0
122.89429	21.2
144.00908	11.0
169.15904	1.5
171.02003	2.7
172.00525	1.1
186.89786	11.9
197.09767	1.1
215.00987	77.7
215.07152	2.6
215.10797	7.2
215.12889	2.5
215.16496	22.7
216.01282	4.0
216.06665	1.9
216.16888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97691	0.4
58.23505	0.4
59.01382	100.0
59.93053	0.4
60.01714	0.7
61.98846	0.7
70.36552	1.5
71.77500	0.4
71.94747	0.4
72.99317	1.6
75.00928	0.4
75.89855	0.4
90.89658	0.4
90.97160	1.3
111.33673	0.4
114.98898	4.2
118.96627	0.6
132.98198	3.7
156.99948	8.0
174.99248	26.7
175.99632	0.5
179.35402	0.4
202.20523	0.4
217.00298	28.4
218.00661	0.9
218.98276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01365	2.6
61.98835	7.9
63.62125	0.9
69.33012	8.7
71.05015	1.0
81.03461	0.9
83.05000	1.2
89.88591	0.9
93.03452	2.3
111.08157	3.3
113.09727	100.0
114.10084	2.1
120.89867	3.7
121.89731	1.1
125.09698	1.0
151.11311	1.5
169.12360	2.3
177.90186	1.4
184.90182	2.7
185.06126	1.4
194.99301	2.6
195.13895	2.8
197.06012	1.2
197.99150	2.5
198.06805	1.6
213.05644	2.4
213.07520	1.6
213.09253	4.7
213.11301	4.1
213.13026	1.7
213.14967	14.4
213.18578	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.91963	0.5
54.66484	0.4
59.01384	0.8
60.41558	0.5
61.03681	0.4
66.18039	0.4
69.61283	0.4
71.62891	0.6
74.70280	0.4
93.03449	1.8
99.28512	0.4
161.59486	0.4
167.24861	0.4
169.12398	0.6
177.12875	0.6
183.13904	27.3
184.14250	1.0
195.13902	24.1
196.14200	1.1
207.16135	0.4
211.13411	0.7
213.14966	100.0
214.15309	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	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
69.89500	2.0
72.39674	0.6
73.57081	0.5
81.28278	0.6
93.03449	1.8
98.19943	0.8
128.59160	0.5
151.11292	0.8
152.19856	0.5
165.12970	0.5
169.12288	0.9
183.13913	26.5
184.14255	0.8
195.13899	21.1
196.14209	1.1
213.14973	100.0
214.15331	4.3
220.81876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.53351	3.4
57.03440	4.3
59.01384	15.5
61.98820	11.6
69.11521	3.2
70.15110	15.7
71.04983	4.6
93.03456	33.0
99.08202	4.0
111.08128	6.2
120.89864	8.7
125.02457	5.0
125.09705	4.7
133.58171	3.3
151.11305	4.7
153.12794	3.7
169.06625	7.4
169.08672	5.9
169.12355	60.6
171.08087	3.3
183.13904	13.2
185.06102	5.1
185.11798	6.2
192.91052	3.3
194.99397	3.6
195.10153	3.8
195.13884	21.5
197.99239	7.8
204.92906	3.1
213.01837	9.0
213.05727	20.2
213.07594	8.3
213.09299	9.9
213.11327	11.4
213.13266	4.6
213.14984	100.0
213.18564	14.6
214.01482	3.5
214.15308	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	213.1496
Annotation	3-Oxododecanoic acid
Peak:m/z	Relative Intensity
53.92852	0.4
54.35227	0.4
56.56166	0.3
59.01380	100.0
60.01702	0.6
61.98819	0.7
68.95227	0.4
69.88906	1.2
69.89305	0.7
72.28018	0.4
74.28933	0.4
83.43649	0.4
87.00876	0.9
93.03458	2.3
97.18926	0.4
98.20587	0.8
98.83611	0.4
103.55598	0.4
110.14529	0.3
121.50092	0.3
129.02701	0.4
141.52357	0.4
149.13365	0.8
153.12849	5.7
173.86829	0.4
182.38058	0.4
195.87737	0.4
197.99133	0.5
213.05623	0.8
213.14955	21.1
214.15289	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	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01728	1.0
61.98822	1.2
69.34503	0.5
69.83375	1.8
72.14725	0.4
87.00880	1.0
93.03468	2.8
95.30901	0.5
97.02906	0.7
141.12827	0.5
153.12837	6.8
154.97874	0.6
194.99237	0.6
197.99216	0.7
213.05595	0.5
213.07526	1.1
213.09439	0.8
213.11357	0.9
213.14960	25.4
213.18359	1.0
214.01436	0.5
214.15268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.077
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
52.15457	1.7
57.03447	7.6
59.01382	16.1
61.98829	3.3
65.03968	8.8
69.03453	8.2
70.01525	1.9
71.05019	3.6
71.32266	4.3
71.57795	2.0
72.99339	2.1
73.02953	3.1
78.37804	1.9
81.03486	4.7
81.07100	33.8
83.05038	3.3
85.02931	1.8
93.03468	9.4
95.05019	6.2
97.02962	5.3
97.06595	26.4
99.04488	3.0
107.05042	4.5
109.06615	3.1
120.89883	3.3
123.00903	3.0
123.08176	10.0
125.06094	46.4
125.09721	9.9
127.07657	21.3
141.09198	2.5
151.07660	3.4
155.37434	2.2
169.08713	100.0
169.12321	3.5
170.08972	3.9
171.06737	2.1
172.01604	1.9
184.90332	2.1
185.06175	2.6
185.08157	5.1
190.61180	2.2
213.05649	6.7
213.07639	31.5
213.11223	10.1
213.15019	12.5
213.18562	6.1
216.90303	2.2
224.38205	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	213.0518
Annotation	(S)-ACPA
Peak:m/z	Relative Intensity
51.11216	0.5
55.80526	0.5
56.27001	0.5
57.98290	0.5
59.01384	2.6
59.79309	0.5
61.98809	0.8
62.07243	0.5
63.81321	0.5
65.03947	0.6
67.03030	2.3
68.01415	10.8
69.03460	0.7
71.01379	1.2
71.16247	0.9
72.99332	0.6
80.05060	3.8
82.02995	2.3
83.05016	0.8
85.02940	0.4
87.00895	0.8
93.03461	3.5
95.02522	9.7
96.95985	1.0
97.06596	0.6
99.04532	0.5
100.04053	1.8
107.05067	0.6
109.04122	0.9
111.02010	100.0
112.02320	1.7
114.05577	1.4
124.04082	3.2
125.06089	1.8
125.09738	0.7
126.32494	0.5
126.98882	0.7
150.03192	1.0
151.05135	28.8
152.05489	1.4
153.01973	0.7
165.05580	1.4
167.63091	0.5
169.06305	0.9
169.08685	1.5
193.72870	0.5
195.04108	4.1
213.05194	48.1
213.07486	1.7
213.14960	1.6
213.18513	1.1
214.05453	1.6
214.07269	0.9
217.34029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0551
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
55.31622	0.2
59.01378	0.2
61.98840	0.4
62.81715	0.2
65.00330	0.2
71.63599	0.2
72.91126	0.2
81.03455	0.2
89.00347	1.5
93.03461	100.0
94.03790	2.5
97.06562	0.2
109.02933	0.2
120.89824	0.3
151.11304	1.4
169.06595	10.7
169.12344	1.0
170.06842	0.6
176.98274	3.7
185.03719	0.3
194.99329	4.1
197.99144	0.2
213.00293	1.1
213.03313	0.7
213.05560	15.5
213.11043	1.2
213.13130	0.3
213.14838	1.2
213.18576	0.5
214.05916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0556
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
52.74338	0.1
53.79787	0.1
57.03439	0.2
59.01367	0.3
61.68340	0.1
61.98832	0.8
63.24128	0.1
63.28868	0.1
68.33624	0.1
69.31801	1.4
70.01559	0.1
85.08963	0.1
93.03458	100.0
94.03796	2.8
97.02937	0.2
98.19895	0.2
100.20883	0.1
111.08157	0.4
120.89897	0.4
151.11317	0.2
169.06590	10.4
169.12262	0.2
170.06912	0.5
183.13930	0.2
184.90231	0.3
185.06099	0.2
195.13855	0.3
197.99203	0.4
198.06836	0.2
213.05573	14.5
213.11324	0.4
213.14929	2.9
213.18367	0.3
214.05917	0.8
214.15178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96557	0.4
58.45758	0.4
59.01366	0.4
60.89416	0.4
66.88384	0.4
67.29383	0.4
69.03432	0.6
69.95721	1.6
81.74664	0.4
83.05043	0.6
89.51421	0.4
92.81185	0.4
95.01402	0.4
107.13264	0.4
109.06510	0.4
125.97502	0.4
155.10808	0.6
165.12895	0.5
167.06175	0.4
167.10701	1.0
167.14406	2.3
183.13892	13.7
184.14241	0.8
193.12369	3.5
211.13393	100.0
212.13737	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01375	0.6
61.98822	1.2
69.03474	0.7
69.84523	1.6
74.00433	0.2
83.05021	0.7
90.41857	0.2
125.05999	0.3
139.11325	0.5
140.01131	0.4
149.09627	0.3
149.87321	0.2
153.05513	0.3
155.10789	0.6
159.15973	0.3
165.12888	0.4
167.06036	0.5
167.10748	1.3
167.14392	1.6
181.23651	0.3
183.13899	14.6
184.14259	0.8
193.12338	3.7
211.13387	100.0
212.13731	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	211.1339
Annotation	Traumatin
Peak:m/z	Relative Intensity
54.99667	1.0
57.03450	49.2
58.40979	1.1
59.01381	100.0
61.98835	13.9
67.01891	1.2
69.03464	1.2
69.49460	7.0
71.10011	1.0
75.00890	1.3
95.01375	2.3
108.76549	0.9
109.02968	1.6
114.74631	1.0
124.95140	1.1
149.13344	1.7
153.05544	1.5
164.98227	1.2
166.99876	1.4
167.06096	6.5
167.14407	11.5
168.14684	1.1
174.55728	1.1
181.01360	1.5
181.05061	1.4
183.13855	1.8
185.02951	1.1
196.03757	1.2
211.06108	2.1
211.13388	49.7
212.13800	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	211.1703
Annotation	trans-Delta2-11-methyl-Dodecenoic Acid
Peak:m/z	Relative Intensity
59.01382	2.0
61.98823	4.6
65.00303	1.3
93.03419	1.2
94.33423	0.9
95.01392	4.4
97.38373	0.9
112.84264	1.1
115.09685	0.9
123.00858	1.9
156.23853	1.0
166.99867	1.3
167.06149	1.5
167.14340	1.1
183.13870	2.4
196.03824	2.3
211.03920	1.4
211.06003	1.9
211.09798	1.8
211.13699	13.2
211.17024	100.0
212.17416	5.5
219.09630	0.9
229.13553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03447	0.8
59.01382	100.0
60.01720	0.7
61.98835	8.0
67.01897	0.5
68.99840	0.6
69.03473	0.5
71.63567	0.6
81.94920	0.5
87.00945	0.6
95.01407	1.3
95.18793	0.5
111.04503	0.6
113.09732	2.4
121.02962	0.8
123.00873	1.5
123.03563	0.6
124.04037	0.9
125.04385	0.9
149.09850	0.5
149.13330	1.6
151.11314	2.1
153.05547	0.9
163.04008	0.6
164.98206	0.8
166.99846	0.8
167.04927	0.5
167.06145	2.7
167.10742	0.8
167.14391	1.2
167.92992	0.5
181.01410	1.0
181.05049	0.9
183.13927	2.5
183.92294	0.6
192.97838	0.8
193.12363	1.7
196.03780	1.4
210.30431	0.5
210.94936	1.2
211.03883	1.2
211.06030	0.9
211.07845	1.2
211.13403	29.5
212.13731	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	209.1547
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
57.03447	0.8
59.01374	1.9
61.98834	8.2
65.03970	0.6
71.19251	1.0
80.02689	0.8
81.03492	0.9
83.01404	1.2
83.05020	1.3
85.02949	0.7
91.01882	1.2
92.99804	0.8
93.03460	1.5
94.02986	2.0
95.01389	1.1
109.02931	0.9
120.02147	0.7
121.02957	69.9
122.03257	3.0
123.00926	0.8
123.04550	1.0
123.08134	1.2
124.01641	0.8
124.04065	4.3
125.09715	1.0
135.04503	0.8
136.98767	0.7
137.02417	2.7
137.06004	0.7
151.03993	1.6
161.02409	1.9
164.98227	1.1
165.01978	1.1
165.05507	1.0
165.09212	0.9
165.12848	2.1
166.56326	0.6
176.04820	1.1
178.99881	0.8
179.03549	6.8
186.55597	0.7
191.14371	0.6
194.02174	2.1
194.05835	6.0
209.00952	1.5
209.04538	10.9
209.08302	3.3
209.12190	11.3
209.15456	100.0
209.94916	2.6
210.04871	1.0
210.07983	0.6
210.15778	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	209.9492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98536	0.2
70.74262	0.1
70.91702	0.2
81.78759	0.1
124.04059	0.2
146.68079	0.1
163.95622	0.2
164.96410	0.5
170.43573	0.1
184.76476	0.1
209.94902	33.4
210.93094	0.1
210.94977	1.6
211.13196	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	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
57.83363	0.5
59.01377	0.9
60.81919	0.5
61.98830	8.6
64.01928	1.0
68.99831	0.6
69.54186	3.4
73.02943	0.8
77.03964	0.8
78.35715	0.4
85.02968	0.9
87.04530	0.5
92.05065	0.6
93.03447	0.8
94.02988	2.0
95.01382	0.7
96.96008	0.7
97.02933	0.5
99.65948	0.4
103.04262	2.1
104.05063	42.3
105.05384	1.3
108.02156	0.8
109.02951	2.7
120.02187	1.2
120.04554	6.9
122.03267	0.5
122.06137	2.1
123.00864	0.6
123.04485	1.0
124.04037	5.3
134.03783	0.6
136.07658	2.6
137.02502	0.9
138.03046	0.5
138.05646	0.7
138.31447	0.4
141.41542	0.5
148.01671	11.9
148.04044	66.0
149.04372	2.0
150.03096	0.5
153.05574	11.0
163.04007	10.6
165.01814	0.5
165.05579	0.6
166.05090	100.0
167.05414	3.4
167.08272	1.0
177.12079	0.5
177.83128	0.5
180.03801	0.5
181.05063	11.6
181.06552	0.9
183.14008	0.5
184.89578	0.5
193.05023	0.6
195.02914	1.2
196.03751	1.4
209.94849	2.6
210.04045	12.5
210.07463	0.8
211.04309	0.8
211.06088	4.1
211.13353	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	209.1547
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
59.01385	37.3
61.98834	17.2
65.00337	1.1
69.51180	3.8
69.51609	2.8
70.56433	0.8
71.01388	1.7
76.13572	0.8
83.05032	1.2
85.02983	0.9
91.01892	1.8
92.99825	2.1
93.03471	2.8
94.02994	3.3
95.01382	0.7
98.19871	1.6
99.12644	0.9
106.17936	0.8
110.71568	1.1
121.02959	100.0
122.03271	2.8
124.04045	6.6
136.01646	1.5
136.98848	1.2
137.02414	1.3
141.01993	0.8
151.03938	1.0
165.05634	1.7
165.09160	0.9
179.03513	2.7
181.12373	0.9
189.12907	1.0
191.10695	0.9
191.14388	1.8
194.02130	3.1
194.05882	2.7
209.01010	1.6
209.04596	11.6
209.08176	1.6
209.12186	7.8
209.15471	59.2
209.94905	6.1
210.15833	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	209.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.2
57.03178	1.9
57.03447	31.3
58.00571	1.9
59.01377	22.6
68.99821	2.0
69.03446	1.6
70.72845	3.2
70.73219	1.5
71.01389	14.7
72.99302	2.2
73.02934	3.8
74.93414	1.0
74.99081	2.8
83.01388	7.0
84.02167	8.7
85.02949	88.1
86.00100	1.2
86.03310	1.6
87.00875	33.4
87.04523	1.9
89.02463	6.8
97.02924	3.2
99.00860	5.5
101.02431	4.4
111.00886	8.4
121.02945	2.1
129.01941	51.2
136.99118	1.6
141.01933	5.1
147.04507	1.6
157.93759	1.2
159.02997	10.6
209.06651	100.0
210.06972	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
51.64729	0.7
55.01880	0.7
55.73346	0.7
57.03455	2.4
57.21140	0.7
59.01385	2.8
61.98840	15.4
69.03440	1.2
69.88224	0.8
70.13688	3.1
71.05025	0.8
81.03469	1.5
83.01395	11.6
83.05023	5.7
85.02991	1.1
91.01910	1.4
92.99796	2.0
93.03455	1.9
94.02977	2.2
95.01394	1.1
95.05054	1.6
96.95999	0.8
97.02962	1.1
97.06590	3.7
98.19981	0.9
99.67369	0.9
104.75362	0.7
109.02939	2.1
117.98000	0.7
120.02152	0.8
121.02966	100.0
122.03310	3.0
123.08179	2.5
124.04055	6.4
125.09737	16.9
129.01994	0.8
135.08145	1.5
136.01689	1.3
136.98825	0.8
137.02440	2.2
137.06142	1.0
144.57887	0.7
151.00372	0.7
151.07660	1.0
161.02382	1.6
163.11310	3.8
164.94128	1.4
164.98331	1.2
165.01909	1.0
165.09229	0.8
165.12888	5.4
167.10782	15.6
178.99873	1.6
179.03516	6.9
181.12410	1.8
191.10774	4.6
193.12390	0.9
194.02194	2.1
194.05869	7.1
195.17970	0.7
209.00760	1.4
209.04564	15.0
209.08318	2.9
209.11841	72.4
209.94879	4.1
210.07776	1.1
210.12186	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
52.29731	0.7
54.90049	0.6
57.03464	1.5
59.01380	3.1
59.37677	0.7
61.98836	15.5
65.00320	0.8
69.61704	2.3
69.62135	2.1
78.89675	0.6
80.02701	0.8
81.03478	1.3
83.01397	2.7
83.05032	1.8
90.14109	0.7
91.01902	1.0
92.99861	0.9
93.03457	2.9
94.02994	2.2
95.01366	0.9
97.06597	1.2
120.02127	1.4
121.02960	94.7
122.03268	3.2
123.04575	0.9
124.04062	5.3
125.09733	2.7
129.49823	0.7
135.04523	0.8
136.01663	1.4
137.02446	2.5
137.06071	0.8
139.03995	1.0
151.04059	1.0
151.07689	1.0
161.02435	1.0
163.11275	2.0
164.94092	1.4
165.01947	0.9
165.05582	0.9
165.09187	1.3
165.12842	2.1
167.10808	2.6
178.99892	0.8
179.03497	3.7
181.12338	1.1
190.99956	0.9
191.10759	1.4
194.02226	1.8
194.05922	4.3
209.00952	2.3
209.04553	12.8
209.11827	100.0
209.94908	5.3
210.12181	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	209.0456
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
52.32823	0.3
53.95929	0.3
54.22917	0.3
54.91349	0.3
57.03426	0.6
59.01366	1.0
69.88850	1.5
71.01371	0.4
72.34665	0.3
74.99092	0.4
83.01426	0.4
85.02961	2.9
87.00871	0.7
91.01895	1.3
93.03467	0.7
94.02962	0.4
95.01392	0.5
95.05054	0.5
97.02947	0.6
106.04242	0.3
109.01706	0.5
110.30272	0.3
120.02149	1.4
121.02959	100.0
121.06573	1.5
122.03264	2.9
124.04037	0.9
129.01967	1.3
135.04506	0.6
136.01674	1.3
137.02429	0.9
150.03246	0.5
151.03970	0.5
155.68449	0.3
161.02461	0.8
162.81609	0.4
165.01971	1.0
165.05580	1.1
165.09155	0.4
176.04796	0.5
178.99794	0.4
179.03493	1.7
181.01486	0.3
181.05066	0.7
191.03423	0.5
191.10732	0.4
192.55537	0.3
193.98499	0.5
194.02171	2.1
194.05885	1.4
209.04602	13.3
209.06664	2.3
209.08438	0.4
209.11797	1.6
210.05026	0.3
227.64874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
52.82027	0.8
55.01879	6.4
57.03453	32.9
58.00584	2.3
59.01089	1.6
59.01382	28.7
60.01708	0.9
68.99816	2.7
69.03484	0.9
69.66852	2.3
69.67271	3.1
71.01386	15.4
72.99303	2.4
73.02945	5.3
74.38145	0.8
81.03928	0.7
83.01393	9.4
84.02170	9.9
85.02954	99.0
86.00124	1.0
86.03287	1.7
87.00879	36.0
87.04532	1.8
89.02450	8.2
90.25161	0.8
97.02950	3.1
98.42275	0.7
99.00889	5.7
101.02443	5.7
111.00891	9.2
115.04012	1.1
129.01949	55.2
130.02260	1.8
131.03493	0.7
141.01945	5.1
159.02997	11.7
191.05548	1.0
209.06667	100.0
210.07028	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	207.0662
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
59.01375	3.1
61.98833	0.3
69.56542	2.7
74.27707	0.3
75.00867	0.4
77.03965	0.6
81.63252	0.3
85.02943	0.5
93.03472	2.1
95.01413	0.6
95.05035	6.6
98.19866	0.7
100.32861	0.3
105.03499	1.6
105.70947	0.4
108.02177	0.6
109.02963	0.5
110.11458	0.4
115.14276	0.4
119.05418	2.3
121.02964	8.4
121.06690	0.4
123.00875	0.4
123.04521	1.0
135.04538	0.6
148.01701	0.4
149.02448	17.8
150.02814	0.8
163.04019	1.7
163.07674	0.4
177.01932	100.0
178.02271	4.7
179.03514	0.8
191.03523	2.4
192.00789	2.6
192.04285	99.0
193.04596	4.3
207.02985	1.7
207.06630	22.7
207.10016	0.7
208.06976	0.8
208.09837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1389
Annotation	2-Hexyl-5-methylresorcinol
Peak:m/z	Relative Intensity
52.87595	0.6
57.03435	1.0
59.01385	5.4
61.98562	0.6
61.98835	5.1
71.01379	1.1
71.11119	0.8
71.11494	0.9
83.01395	0.6
90.81854	0.6
91.01917	1.0
95.01416	0.7
95.05033	0.9
109.02957	0.9
109.06547	1.0
109.36393	0.6
117.68518	0.6
119.01407	0.7
119.04994	1.3
121.02989	1.7
123.04526	1.3
129.02011	0.6
135.00864	1.5
137.09738	0.8
147.03142	0.7
148.05298	0.8
149.02478	3.5
163.00360	1.7
163.04016	0.8
163.07640	1.3
163.11276	1.2
164.89534	2.9
177.01945	16.9
177.05589	0.6
178.99887	0.9
186.99004	0.7
189.12772	0.7
192.00647	3.5
192.04283	14.1
193.01389	0.7
206.99431	1.2
207.02980	3.5
207.06551	5.0
207.10402	3.5
207.13893	100.0
208.14240	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	209.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.11941	0.2
56.98030	1.0
57.03455	2.7
58.00595	0.3
58.02820	0.3
58.99605	12.1
59.01379	4.0
59.34285	0.2
60.97541	1.4
61.98834	5.9
68.99822	0.6
71.01385	8.1
71.59992	0.4
72.99297	2.1
73.98319	2.9
74.99100	100.0
75.00853	2.2
75.99426	1.2
78.95902	1.1
79.95737	0.8
80.96533	1.7
83.01392	0.9
84.02174	0.7
85.02955	22.3
86.03304	0.4
87.00877	2.5
89.02442	2.8
94.02998	0.5
94.98067	0.3
96.96008	0.4
101.02470	0.3
102.92368	0.2
103.00380	0.4
111.00898	0.3
115.00362	0.5
118.98109	0.3
118.99865	0.4
120.99670	2.5
121.03004	0.5
129.01936	1.7
133.01434	2.8
136.94038	2.5
136.99149	54.1
137.99458	0.7
138.93739	0.3
147.01212	0.8
147.03006	0.7
151.81982	0.2
154.99110	0.3
163.09972	0.2
165.04041	0.5
165.91382	0.6
182.88058	0.4
191.01979	3.8
198.26129	0.3
208.93411	0.4
208.97517	0.4
209.01251	1.4
209.03035	6.2
209.04555	0.3
209.06537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1235
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
59.01378	0.5
69.65946	2.3
71.01375	1.0
72.99281	0.5
73.02937	0.5
75.59875	0.5
77.80613	0.4
82.03320	0.4
98.19920	0.8
99.92991	0.5
115.00380	0.9
123.04519	0.7
124.99205	0.5
161.13390	0.8
162.89322	0.9
177.12909	0.5
190.96231	0.4
205.12341	100.0
205.15942	2.7
206.12689	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.98083	0.1
59.01379	0.2
68.68803	0.1
69.45198	0.9
69.45608	0.3
71.01392	0.2
71.54218	0.1
73.02934	0.1
91.41733	0.1
107.83060	0.1
149.09683	0.2
162.89368	0.3
189.12851	1.8
205.15964	100.0
206.16310	5.5
206.18274	0.2
224.08853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98832	100.0
62.98542	0.2
69.88561	0.7
69.88869	0.1
93.03458	0.2
98.19776	0.2
117.37956	0.1
121.02929	0.2
124.81293	0.1
130.44492	0.2
135.04500	0.1
149.02435	0.2
150.51221	0.1
158.24153	0.1
162.98447	1.2
164.89595	0.2
164.96370	0.4
177.01921	1.2
192.00615	0.2
192.04279	1.5
192.14032	0.1
193.01379	0.1
206.97440	7.4
207.02954	0.3
207.06607	0.3
207.10173	0.2
207.97548	0.3
227.38765	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50176	0.1
59.01382	6.4
60.01715	2.5
61.01819	0.7
61.98833	100.0
62.98543	0.2
69.98881	0.1
71.37431	0.2
112.48763	0.1
119.25542	0.1
122.60565	0.1
152.88947	0.1
160.03784	0.2
162.01735	0.1
203.99976	0.6
204.02650	1.0
205.16028	0.2
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
57.03460	2.5
57.03696	0.5
59.01381	5.2
61.98839	3.5
63.86931	0.4
65.30242	0.4
67.01897	5.1
69.03413	0.4
69.77526	1.5
69.77934	0.9
71.01383	2.3
71.05016	1.0
72.99316	6.3
73.02951	4.9
75.00874	1.5
81.03456	0.7
83.01398	1.8
83.05033	0.7
84.76579	0.4
85.02955	2.5
86.91828	0.4
87.00882	41.2
97.06591	0.7
97.15273	0.4
98.19975	0.5
99.00893	1.4
99.04532	2.7
101.02454	1.7
111.00890	100.0
112.01244	2.7
115.00373	1.9
115.04015	1.7
117.01881	0.5
123.60970	0.5
125.02446	3.7
129.01949	0.8
129.73575	0.4
130.99895	0.8
143.03500	10.1
143.07144	1.0
145.01413	1.2
145.05072	1.3
154.98756	0.5
154.99834	2.4
161.06152	0.8
162.89369	0.8
173.00941	2.6
177.01950	0.6
187.06187	0.7
205.01686	1.0
205.03549	3.1
205.05258	1.1
205.07196	1.9
205.08862	0.9
205.12305	0.7
205.15955	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	205.0353
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01875	1.1
57.03442	1.5
58.02964	0.7
59.01384	5.2
67.01889	0.9
68.99819	0.4
69.03468	1.0
69.68564	2.1
71.01384	3.4
71.05023	15.8
72.99313	3.9
73.02964	2.6
75.00882	1.6
76.84812	0.4
81.03463	6.4
83.01373	1.6
85.02934	2.5
87.00880	29.8
87.04502	0.5
96.99316	0.4
97.02947	1.0
99.00879	2.9
99.04524	19.1
101.02451	23.3
111.00882	9.4
113.02446	0.9
115.00392	2.7
115.04008	5.7
117.01936	1.0
117.05599	0.5
121.52033	0.4
125.02449	100.0
126.02796	3.7
127.00412	0.5
129.01917	0.6
130.99887	0.6
131.03485	0.5
140.65587	0.4
142.99867	0.6
143.03514	6.6
143.07150	0.8
144.03032	0.6
145.01436	13.2
145.05087	0.7
154.99907	0.9
159.08618	0.6
161.04558	0.7
187.02495	10.3
187.06184	0.7
187.08032	0.6
188.02992	0.4
205.03548	18.2
205.07178	1.7
205.09111	2.0
206.03761	0.6
216.80464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15393	0.9
59.01379	3.5
61.98832	2.6
64.17629	0.7
67.56957	0.7
68.99574	81.9
70.00726	0.8
70.04707	3.4
71.01374	4.5
72.99325	2.6
73.02932	0.7
75.00872	1.7
76.21519	0.7
83.01400	0.9
87.00897	2.8
87.92585	0.8
89.03973	6.7
89.92586	0.7
90.75723	0.7
92.99615	1.4
93.03456	9.5
99.00900	1.4
101.03307	1.7
101.03976	33.2
102.04288	1.2
107.05026	3.8
108.99075	10.2
109.04592	1.5
115.00354	3.7
117.03473	16.9
121.04600	100.0
122.04922	2.8
129.01903	0.7
133.02965	1.6
133.04158	0.8
135.04535	24.5
137.04076	13.1
141.05223	67.6
142.05536	2.2
142.99915	1.5
145.02919	3.9
147.04555	1.2
149.06078	1.3
153.05588	12.4
154.05937	0.9
155.05124	1.7
161.02460	1.9
161.05969	2.8
161.09767	1.0
162.89340	6.5
165.03566	16.8
181.03049	0.8
185.04216	9.8
190.02478	4.9
190.06247	1.1
204.90414	1.0
205.01492	1.7
205.04826	24.8
205.08736	2.3
205.12396	5.4
205.15967	19.7
206.16432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01378	8.3
61.98824	3.4
67.01891	3.2
69.03457	99.6
69.47102	7.2
71.01369	3.0
72.99323	0.8
73.02962	1.3
79.05540	2.6
81.03456	1.4
83.01381	1.1
83.05036	6.9
85.02950	3.3
87.00861	1.3
93.47044	0.9
95.05018	3.4
97.02956	2.8
97.06590	55.4
98.06908	1.0
103.92046	7.7
104.97739	5.8
105.07075	1.4
105.91096	0.8
107.05044	1.3
109.06578	4.3
113.02467	1.3
123.08157	4.9
125.02474	1.2
130.94341	2.0
131.05069	0.9
133.06586	1.6
135.08171	11.4
148.95396	2.9
159.04459	0.9
159.08136	1.6
160.89253	6.0
161.09737	1.8
161.89417	1.9
175.03998	2.2
175.07655	1.1
183.90842	0.9
185.13361	1.8
187.11295	5.6
188.04703	1.1
188.08421	1.0
202.90311	1.5
202.94177	4.4
203.01862	1.7
203.03493	3.7
203.05482	2.5
203.07184	3.3
203.10788	6.0
203.14403	100.0
204.14713	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	203.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33358	1.2
57.03452	2.3
57.62730	1.2
59.01370	4.6
67.01875	1.6
67.37659	1.2
70.05177	3.8
70.05585	2.7
83.05029	43.9
83.05524	2.5
85.02943	1.7
95.04996	2.4
97.02921	1.6
97.06561	2.0
107.08654	2.3
113.02438	1.4
120.05766	1.9
121.06586	1.6
125.02452	2.4
133.06587	5.1
133.10243	8.4
134.07391	2.7
135.08217	6.3
135.11786	2.0
143.03531	2.5
147.08173	6.8
148.08937	1.8
163.07712	1.4
169.10219	3.0
173.09686	3.2
173.13345	2.5
174.10489	1.6
175.11366	1.8
185.13354	12.4
187.11279	5.5
188.12021	4.1
201.12904	3.7
202.94044	1.6
203.03497	2.2
203.05460	2.5
203.07198	1.5
203.14413	100.0
204.14738	6.1
215.45845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.6
57.03445	5.9
59.01382	3.4
61.74943	1.2
64.08036	1.4
64.08418	1.4
67.01890	2.5
69.03456	73.7
70.22434	3.2
70.22819	2.8
71.01385	59.4
72.99317	8.7
73.02959	2.1
73.17329	1.3
75.00871	4.7
79.01900	9.2
83.01389	6.0
85.02956	14.4
87.00882	14.7
88.85103	1.4
89.02467	1.4
95.01398	11.0
97.02954	100.0
98.03278	2.3
99.00864	3.3
104.33742	1.6
111.00868	5.0
113.02473	6.6
115.00385	8.6
115.04031	3.6
123.00909	4.3
129.01944	7.8
133.50285	1.4
141.00888	1.3
141.01936	26.5
159.02951	1.7
185.04382	1.5
203.01973	88.7
204.02292	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	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02372	1.8
52.00099	1.0
55.01888	1.5
57.03439	3.9
60.26733	1.0
60.99291	1.4
63.20316	0.9
67.01892	1.7
69.03458	67.0
70.03779	1.6
71.01382	51.3
71.36101	2.2
72.99311	7.4
73.02930	1.2
75.00859	3.7
79.01897	11.7
81.34458	0.9
83.01354	1.8
85.02934	10.8
87.00883	14.2
87.04530	1.2
95.01389	9.4
97.02954	100.0
98.03296	2.1
99.00896	2.8
99.08930	1.1
111.00886	4.8
113.02449	3.7
114.30319	1.2
115.00395	9.4
115.03953	1.7
123.00870	4.3
129.01947	10.5
141.01942	21.7
159.02989	2.5
185.00926	1.8
203.01974	95.0
204.02304	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
50.78872	0.6
51.65144	0.6
59.11409	0.7
60.51109	0.8
64.11008	0.6
69.03137	0.7
71.39026	1.5
72.00917	25.3
74.02483	33.3
78.55384	0.8
96.06693	0.6
98.20565	0.8
116.05075	100.0
117.05405	4.0
130.06628	2.9
139.51923	0.7
142.06638	28.8
143.06897	1.1
159.09288	17.3
160.09679	0.8
161.04816	1.0
185.07088	0.8
186.05647	4.0
203.08282	56.2
204.08629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1441
Annotation	5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol
Peak:m/z	Relative Intensity
53.45817	0.7
57.03446	0.9
59.01388	5.6
61.98830	2.0
69.03468	3.8
71.01381	1.9
72.87286	0.6
72.99306	1.6
73.02944	1.8
79.05573	0.6
83.01389	0.7
83.05029	0.7
85.02965	4.6
87.00923	0.7
87.04530	2.1
95.01380	0.8
97.02955	2.2
97.06612	3.9
101.02422	1.6
103.92043	5.1
104.97741	2.0
105.07125	1.2
113.02434	1.0
125.02489	1.6
130.94408	1.4
131.03523	0.7
132.74423	0.6
133.06590	9.2
135.08202	4.3
143.03502	1.5
148.95454	1.9
149.09790	1.4
159.04544	1.6
160.89284	3.7
161.06039	0.7
161.09735	2.2
161.89461	1.3
175.07738	0.8
176.48004	0.8
185.13440	1.6
187.11195	0.7
188.04832	1.6
194.09270	0.7
202.94228	2.6
203.00024	1.0
203.03468	2.8
203.05481	1.4
203.07248	1.6
203.10809	4.9
203.14423	100.0
204.14738	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	201.1285
Annotation	Ligudentatol
Peak:m/z	Relative Intensity
50.46474	0.3
51.53536	0.3
51.99856	0.3
57.03446	0.6
59.01379	5.0
61.98815	0.5
67.05511	0.4
69.03448	0.7
71.01363	0.4
71.62626	0.5
73.02956	0.5
81.03465	1.4
83.05045	0.5
84.86463	0.3
85.02975	0.6
86.96358	0.3
87.04513	0.5
93.03414	0.3
95.01401	0.5
95.05032	1.0
99.92592	0.8
107.05029	17.4
107.08649	0.4
108.05384	0.4
109.06586	1.0
113.02475	0.4
119.08639	0.9
121.02964	0.8
121.06593	5.6
125.09734	0.6
133.06601	8.5
133.10248	0.6
134.06979	0.4
139.11272	1.4
141.01895	0.4
141.93617	0.8
143.08655	0.3
145.06610	0.4
147.08179	2.2
149.09705	1.5
153.02773	0.3
157.06544	2.4
157.10219	0.5
157.12347	0.9
158.03703	0.5
158.89293	0.7
159.08148	1.4
159.11810	0.7
159.89433	0.8
161.09700	0.4
171.08162	3.7
173.06084	2.7
173.09695	1.6
183.08139	0.4
183.10344	0.5
183.11794	2.1
185.09727	6.3
186.06851	0.4
186.10507	3.3
190.02811	0.4
199.11255	2.8
201.05620	3.3
201.11464	4.1
201.12857	100.0
202.13164	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	201.1284
Annotation	Ligudentatol
Peak:m/z	Relative Intensity
57.03448	4.2
57.27060	0.5
59.01381	10.0
69.03466	1.1
69.98840	2.5
71.01359	0.7
71.04988	1.0
71.47227	0.5
72.99315	0.5
73.02944	0.5
83.05025	100.0
84.05355	1.9
85.02959	0.9
87.04514	0.7
93.23158	0.6
95.01377	1.3
95.04996	0.7
98.19888	0.8
99.04576	0.7
99.92577	1.2
105.07081	2.8
111.00864	0.7
113.02432	1.5
116.92918	0.6
119.05025	3.4
119.08665	35.2
120.08939	0.5
121.06581	1.7
123.00858	1.1
129.07076	1.1
133.06584	3.7
139.11305	1.3
141.01933	3.6
141.07111	4.6
141.93672	1.1
149.06049	0.8
157.06593	1.3
158.89299	1.1
159.89383	2.2
163.07645	11.0
164.83641	2.4
166.83287	0.6
173.06114	0.8
173.07965	0.5
183.11772	5.0
185.06081	0.6
185.09697	1.6
186.10393	0.6
199.11301	1.8
201.02365	0.7
201.04028	0.7
201.05559	1.6
201.11292	3.8
201.12865	43.0
201.80159	1.0
202.13242	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	201.1285
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.49025	0.3
59.01379	1.1
67.05523	0.8
69.38678	0.3
70.59396	1.1
79.05566	0.5
81.03459	3.7
83.05029	0.4
93.03455	0.6
93.07082	0.8
95.05033	1.1
107.05030	32.2
107.08701	0.5
108.05362	0.7
109.06600	2.7
117.03493	0.4
117.07085	1.1
117.73918	0.3
119.05007	0.4
119.08668	1.3
121.02958	0.7
121.06572	2.5
131.05064	0.4
133.06592	11.3
133.10295	0.3
134.06978	0.5
139.11237	0.4
145.06564	0.8
145.10069	0.3
147.08163	1.7
148.65936	0.3
152.04846	0.3
157.06561	1.4
157.10178	0.6
159.08150	1.2
159.11786	1.0
161.09726	0.9
170.07307	0.5
171.08165	4.7
172.08937	0.9
173.06123	0.5
173.09711	1.2
173.13354	1.0
183.08180	0.5
183.11763	3.2
185.09717	9.5
186.10484	2.9
197.09698	4.1
199.11288	9.7
199.13156	0.5
200.11682	0.6
201.05602	1.1
201.12848	100.0
202.13174	5.6
205.56429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1129
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
52.69448	0.5
55.01865	0.6
57.03443	1.1
59.01358	1.0
60.49535	0.6
61.34819	0.5
67.01888	2.7
69.03457	4.4
71.01407	0.9
71.05024	1.2
71.63374	0.6
79.01892	9.2
81.03433	0.8
83.01392	1.1
83.05023	1.6
85.02946	0.8
91.05535	3.3
92.99821	0.9
95.05058	0.7
99.00895	3.3
99.08170	4.7
102.90829	0.6
105.07100	2.4
111.00890	1.7
111.04537	0.6
111.08202	0.6
113.02472	1.2
119.05035	8.0
119.08672	100.0
120.09012	3.4
121.06609	7.2
125.02345	0.7
127.00430	1.1
127.04030	1.1
129.07120	3.8
133.06610	10.8
135.04501	1.4
136.98784	0.6
137.09680	1.3
143.08743	0.9
145.06493	0.7
147.08067	1.2
149.06107	0.8
155.08699	0.8
155.10751	3.5
156.89453	1.8
157.06606	1.9
160.16136	0.6
163.07649	35.0
164.08017	1.7
169.10246	2.2
169.12370	1.1
171.04494	0.8
171.11852	0.6
179.08675	1.1
181.08736	0.8
181.10236	3.2
181.12442	0.6
182.10493	0.8
183.08109	1.1
184.08995	0.5
197.09676	4.0
199.09825	2.6
199.11316	65.7
199.13373	9.9
199.17032	6.8
200.11670	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1705
Annotation	Isolauric acid
Peak:m/z	Relative Intensity
50.02538	0.3
56.51616	0.3
59.87900	0.3
61.98821	0.3
65.15209	0.3
67.01888	0.5
70.93608	0.8
71.29941	0.2
92.99783	0.3
99.92590	0.7
100.07579	0.3
111.00876	0.5
135.85040	0.3
156.89479	0.5
161.54468	0.3
162.83905	1.8
164.83621	1.6
194.96979	0.3
199.17047	100.0
199.80527	1.2
199.85069	0.4
200.17409	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62774	0.3
56.50451	0.3
59.01381	100.0
60.01713	0.9
70.91476	0.5
70.91788	0.3
78.84554	0.3
89.32348	0.3
96.22862	0.3
107.86751	0.3
113.04638	0.4
115.62832	0.3
142.74977	0.3
157.03574	6.1
159.01503	2.7
201.02556	15.2
202.02756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
59.01369	3.2
63.02070	0.7
71.01384	1.2
71.63308	1.0
72.99314	100.0
75.00880	40.3
139.11299	2.5
143.82486	0.8
158.89217	1.0
172.12697	0.9
201.01926	1.0
201.11327	82.0
202.11649	3.6
202.89452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.46932	0.2
57.03446	1.0
73.02953	3.3
83.05027	0.4
85.02942	0.3
85.06599	0.5
99.00883	0.6
99.08149	0.3
113.02473	0.3
135.08170	1.6
137.09726	9.1
155.10782	100.0
156.11104	3.4
156.89468	0.3
181.08719	0.3
199.06003	0.3
199.09731	7.0
199.11348	1.2
199.13440	1.4
199.16995	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	199.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36113	0.6
55.03038	0.5
57.03435	1.4
61.98846	0.8
65.03966	0.6
69.46254	3.0
71.01395	0.6
80.02695	0.7
81.03464	0.8
83.05003	1.1
83.67022	0.5
98.19871	0.7
99.00877	2.4
99.08182	1.7
111.00906	1.4
113.02440	0.7
127.04073	0.6
129.07108	1.2
133.56580	0.5
137.09741	1.0
139.11159	0.6
141.07135	1.2
143.08646	3.8
153.12993	0.5
155.08691	2.9
155.10751	4.6
156.89471	1.5
157.06528	0.7
157.10316	0.6
164.83571	0.6
169.06581	8.7
169.10225	4.6
169.12408	1.2
170.07289	0.5
171.08139	1.1
171.11717	3.5
173.06097	1.4
176.03000	0.5
181.10219	24.9
182.10599	1.4
183.08121	4.0
184.08919	3.5
197.09694	3.3
199.11293	100.0
199.13301	6.0
199.17007	5.4
199.80507	0.5
200.11618	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01869	0.8
59.01382	1.6
61.98847	0.8
63.96387	0.6
69.03458	0.9
71.01380	0.9
71.05027	1.8
71.63719	1.0
78.95920	0.8
81.03459	0.9
83.05036	1.7
95.01380	2.4
95.05028	1.4
97.02945	0.9
97.06596	13.4
99.08150	3.3
103.50008	0.7
108.02163	0.6
109.02951	2.2
109.06590	1.3
111.00863	1.0
111.04570	0.7
112.01674	1.3
119.83663	0.6
121.02974	3.0
122.03753	3.0
123.00884	7.4
125.02472	1.4
125.09738	2.3
126.03214	0.8
126.90485	4.0
133.19336	0.6
133.72386	0.7
135.08185	0.7
137.02446	1.3
137.09732	1.6
138.03224	1.5
151.11281	1.1
153.01924	1.7
153.05568	2.3
153.12859	100.0
154.13213	3.3
160.84225	6.5
162.83923	16.0
164.04774	1.9
166.99881	5.2
178.99925	1.2
179.10771	19.9
180.11070	1.0
182.02208	11.3
182.05846	1.3
196.89452	2.1
196.91138	0.8
197.02148	1.9
197.04536	2.9
197.06171	1.4
197.08153	2.2
197.09782	3.0
197.11842	13.9
197.13528	1.2
197.15486	1.6
197.80812	9.2
198.04173	0.8
203.65120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82973	0.5
58.90850	0.4
59.01385	8.2
70.09626	2.4
71.01392	0.8
75.96710	0.5
85.36510	0.4
90.63774	0.5
97.02958	0.5
109.02969	0.7
112.96329	0.5
116.70718	0.5
123.00894	1.8
126.90508	2.1
131.18698	0.5
160.84259	1.3
162.83929	4.0
166.99901	1.1
179.14384	1.5
182.02182	2.0
182.05843	0.5
197.15469	100.0
197.80800	2.3
198.15819	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	197.1548
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
59.01383	8.1
62.26786	0.3
69.39654	1.1
69.40076	2.2
71.01391	1.2
123.00832	0.5
126.58144	0.3
126.90525	0.4
134.46460	0.3
138.70700	0.4
146.32063	0.4
157.20256	0.3
160.84265	0.7
162.83936	2.3
179.14450	2.4
182.02281	0.6
197.04503	0.9
197.15477	100.0
197.80771	1.5
198.15834	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	198.0409
Annotation	Clavulanic acid
Peak:m/z	Relative Intensity
53.10492	0.5
56.27326	0.6
58.35646	0.5
63.21032	0.5
65.00331	10.6
69.90231	2.9
80.05042	0.7
94.02991	7.1
96.04576	2.0
97.02990	0.7
98.02483	1.0
106.03005	0.9
107.03769	1.0
108.04568	5.0
111.04591	1.0
112.04006	0.7
122.02485	2.3
124.04050	34.1
125.73796	0.6
126.01978	0.7
127.04039	0.9
134.02469	0.7
136.04077	5.0
152.03542	43.9
153.03880	1.1
154.05109	100.0
155.05460	3.7
194.58536	0.6
198.04082	34.2
199.04483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.52028	1.4
54.35487	1.2
57.03434	5.7
59.01366	6.1
61.98832	2.9
65.00328	1.4
69.03443	3.7
70.97850	1.4
71.01387	1.7
71.05002	3.3
71.63996	1.5
73.02954	2.6
80.02668	1.8
80.96540	1.4
81.03445	4.1
83.01406	1.9
83.05032	4.0
84.02160	9.6
95.01366	4.4
95.05001	2.9
97.06590	35.1
98.03725	5.5
99.00874	1.7
99.08173	12.4
109.02949	5.7
109.06580	2.4
109.45271	1.4
111.04483	2.5
115.89820	1.6
121.02943	6.6
123.00875	11.8
125.02469	3.4
125.09727	4.2
126.03194	3.2
126.90483	6.9
127.11217	1.7
135.11812	5.1
137.02444	4.3
137.09724	11.3
138.03183	5.3
139.00330	1.4
151.00417	1.8
151.11287	13.2
153.01923	2.8
153.05574	4.0
153.09178	4.7
153.12857	35.1
155.10759	31.0
160.84273	3.0
162.83952	8.1
166.98621	1.3
166.99785	8.6
167.03452	1.7
169.12297	10.5
178.99838	3.8
179.10788	2.5
182.02199	23.6
182.05754	4.0
196.89459	4.4
197.02145	14.5
197.04515	5.1
197.08134	6.2
197.09917	6.1
197.11815	100.0
197.15405	3.9
197.80783	3.8
198.04076	1.5
198.12146	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03443	0.4
59.01377	1.1
61.98824	0.9
63.15841	0.3
65.00326	0.3
69.03455	2.3
71.01369	0.7
71.62968	0.4
76.73851	0.3
80.96538	0.3
81.03437	0.4
83.05011	1.3
85.02935	0.3
95.01417	0.4
97.06580	0.6
109.02940	0.9
111.04533	0.4
116.92802	0.3
121.02949	1.3
123.00905	2.6
123.08159	0.4
125.02483	0.5
125.09706	0.4
126.90540	2.0
135.00894	0.4
135.08188	0.4
137.09669	0.3
138.03247	0.6
141.09198	0.8
151.11270	1.0
153.01939	0.7
153.05589	0.9
153.09259	2.0
153.12877	4.7
154.13139	0.3
160.84236	7.2
161.84221	0.6
162.83926	19.9
166.99815	1.6
167.10793	0.5
169.12355	18.0
170.12694	0.6
178.99896	0.6
179.10782	2.0
182.02243	3.9
182.05794	0.5
182.07323	0.3
196.89433	0.3
197.00755	0.5
197.04782	1.3
197.11844	100.0
197.80806	10.1
198.12178	4.2
212.57863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0092
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
53.00303	0.7
57.03458	1.4
59.01382	1.9
61.98849	3.6
65.00326	4.3
65.03970	0.7
66.03512	0.7
67.01913	1.0
68.99823	2.2
69.03456	2.7
71.01396	0.8
71.61189	1.2
72.99310	5.1
78.53300	0.5
78.77917	0.6
78.95910	1.9
80.96513	4.0
81.00321	0.6
81.03455	2.2
82.00588	1.2
83.01404	2.6
83.05029	1.0
84.99323	2.3
85.02944	1.3
91.01917	0.7
94.03026	0.7
95.01370	3.6
95.05045	2.1
96.96024	2.1
96.99328	1.9
97.02949	2.3
99.00865	1.0
107.01388	0.7
107.05047	1.7
108.02173	1.6
108.04547	1.0
109.02956	25.6
109.06630	1.9
110.00100	100.0
111.00401	1.4
111.04515	1.3
113.02455	0.6
116.92897	1.1
121.02981	2.4
123.00887	9.7
123.04527	1.8
124.01678	0.7
124.04044	2.9
124.07696	5.7
125.02452	10.1
125.06152	0.8
125.99571	2.7
126.90531	3.2
135.04544	1.4
135.08173	0.9
136.07677	3.3
137.02452	3.8
137.99597	44.2
138.03186	3.0
139.00014	1.2
139.03987	1.1
139.07683	0.8
141.99074	2.7
151.00375	2.0
151.03986	0.8
152.03543	3.2
153.01941	68.5
153.05560	2.5
153.06700	2.4
153.09229	1.8
154.02286	1.9
154.05103	7.6
155.03502	0.7
166.99866	7.0
167.03555	0.8
168.06656	0.9
169.01421	0.8
178.99829	1.0
179.03706	1.5
179.10742	0.8
180.06680	2.7
182.00616	0.7
182.02228	13.4
182.05870	6.9
196.89532	4.0
197.00900	26.7
197.04572	6.0
197.06021	0.7
197.08130	4.3
197.10025	1.1
197.11801	6.0
198.04062	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	197.0203
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00322	1.5
57.17831	0.4
59.01383	2.2
64.01908	0.5
65.00326	0.4
65.01427	0.8
65.03950	1.0
65.39204	0.4
65.99844	3.5
66.03474	0.3
67.01888	1.3
67.51335	0.4
68.01408	0.9
68.69655	0.4
68.99806	1.0
69.03459	0.5
71.05032	0.5
71.64528	0.5
73.02972	0.5
76.01939	2.1
77.00327	0.8
78.03493	3.0
81.03458	0.6
83.05017	0.5
89.01469	0.7
92.01434	0.9
92.99809	0.8
94.02981	1.8
95.01389	3.0
96.00930	0.5
97.02961	0.5
97.06593	0.5
104.01431	3.3
104.99817	1.1
105.02223	0.6
106.02981	1.1
108.02181	1.1
109.02966	3.6
109.06567	0.7
112.01664	0.6
119.02483	1.0
119.75069	0.6
120.00897	3.4
121.02943	1.8
122.02471	1.8
123.00878	3.6
123.04424	0.5
124.04050	0.5
125.01159	0.6
125.02449	0.5
126.90495	1.9
132.00908	1.0
133.01711	3.1
135.08220	0.5
136.00415	0.5
136.01668	0.4
137.02463	2.5
137.09747	0.5
138.01988	2.3
138.03149	0.5
150.01968	8.1
151.02786	0.4
152.02283	0.5
153.01942	0.9
153.05551	1.0
153.09201	0.9
153.12830	0.7
163.01500	1.2
166.99823	2.6
167.01039	0.8
167.02185	3.1
168.01706	0.8
179.01025	3.4
180.01758	5.9
182.02209	5.4
182.05841	1.1
196.89508	0.7
196.91132	0.5
197.02036	100.0
197.08110	1.3
197.09790	1.8
197.11839	4.2
197.15500	0.7
198.02385	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	191.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.7
59.01382	4.5
59.14227	0.8
59.90238	0.8
67.01880	3.4
69.37112	5.6
69.37528	2.2
71.01379	1.0
73.02941	1.5
75.00881	1.0
85.02955	29.4
86.03235	0.9
87.00876	46.3
93.03481	1.0
98.19782	1.6
104.02668	2.4
109.93340	0.8
111.00884	97.0
112.01222	2.3
121.02973	0.9
123.04539	1.3
129.01913	3.5
147.04503	2.3
147.08145	1.1
147.11812	22.7
148.01653	2.5
148.12044	1.1
163.11285	5.0
173.00905	1.1
176.01143	8.5
176.04736	1.4
191.02040	8.4
191.03560	4.2
191.05635	7.0
191.10777	100.0
192.11186	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.55963	0.3
61.19218	0.3
65.08884	0.3
69.82133	1.6
103.92010	0.4
109.06608	4.7
111.08169	3.5
122.03743	0.9
125.09740	0.9
138.06914	0.7
150.03253	0.7
151.07623	0.4
151.11253	0.7
158.11504	0.3
160.84219	6.6
165.01958	0.5
165.05675	0.5
167.14441	6.0
167.85866	0.3
179.10789	4.4
180.04372	0.6
180.11353	0.7
195.13908	100.0
195.81110	2.5
196.14244	5.0
203.29707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.51085	0.8
59.01381	15.2
64.22308	0.7
70.02404	2.3
70.02814	1.6
73.02982	0.7
77.17733	0.7
83.05025	2.3
85.96336	0.7
98.20627	0.8
113.45763	0.7
160.84183	4.4
165.05589	0.9
177.12856	10.2
180.04240	1.4
180.24355	0.6
180.68546	0.7
188.19803	0.8
195.13902	100.0
195.81113	2.4
196.14198	3.2
198.54741	0.7
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	beta-Isocyclolavandulyl acetate
Peak:m/z	Relative Intensity
50.08812	9.2
50.14772	8.3
52.59964	9.2
59.01365	16.4
64.39881	10.3
70.94413	16.7
70.94759	19.7
149.13348	13.2
160.84254	100.0
165.01897	17.4
180.04257	14.6
195.03152	10.2
195.13870	53.6
195.81116	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.2
59.01374	0.8
66.70374	0.4
67.01894	3.2
69.48737	2.4
71.49790	0.4
75.97332	0.3
85.02955	26.4
86.03301	0.5
87.00878	48.0
101.02443	0.7
111.00885	100.0
112.01210	2.6
129.01944	5.5
130.99908	0.7
147.02960	0.4
154.99876	0.7
168.78252	0.4
173.00873	1.8
177.13164	0.4
191.01978	11.1
191.05627	1.3
209.14371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03185	0.5
57.03452	6.4
59.01370	0.8
66.82808	0.4
67.01890	2.9
70.80450	0.5
70.80782	0.9
85.02956	26.6
85.33134	0.4
85.61749	0.4
86.03302	0.7
87.00879	42.9
88.01213	0.7
101.02418	0.7
111.00883	100.0
112.01234	1.8
125.94912	0.4
129.01953	6.0
129.60303	0.5
130.99869	0.7
154.99901	0.6
166.09709	0.5
173.00929	1.7
191.01979	11.3
191.05602	1.7
192.02240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03453	1.5
59.01373	1.0
67.01884	0.5
71.45083	0.4
77.03961	0.3
81.28136	0.3
84.67931	0.3
85.02960	6.1
86.03267	0.3
87.00887	8.8
92.88190	0.3
93.03507	0.5
107.14004	0.3
111.00891	18.9
112.01268	0.7
119.05026	1.9
121.02966	100.0
122.03303	2.4
129.01965	1.1
144.22804	0.3
147.04526	7.3
148.01686	0.4
163.04059	0.7
173.00928	0.4
176.01135	1.5
191.01932	1.9
191.03532	7.9
191.05591	2.6
191.07133	0.5
191.10789	0.5
191.14424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1078
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.99067	0.7
57.03445	4.8
59.01376	1.6
63.69447	0.6
67.01887	2.7
69.39104	1.9
69.39526	3.6
71.01355	0.8
73.02927	1.0
77.34425	0.7
81.96101	0.6
85.02951	21.5
87.00878	34.5
93.03455	0.9
99.00894	0.7
101.02373	0.9
111.00883	67.8
112.01208	1.3
121.03009	0.8
123.04496	1.0
129.02008	3.7
130.29594	0.7
130.99892	0.8
147.04488	0.7
147.11807	20.8
148.01669	1.8
148.12138	0.9
154.99763	0.7
163.11273	4.2
173.01019	0.9
176.01178	7.5
176.08386	1.1
191.00272	1.0
191.02017	6.1
191.03546	1.6
191.05782	4.5
191.10773	100.0
192.11153	3.9
192.74556	0.7
199.59964	0.7
201.22980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03451	4.5
61.98840	0.3
69.03435	0.5
70.31950	0.5
70.32353	0.6
71.05048	0.3
83.05053	0.3
92.57125	0.3
95.05032	0.6
97.06593	13.3
123.08176	6.3
124.08526	0.3
125.09728	100.0
126.10064	3.5
141.86801	1.1
143.10771	2.0
149.71773	0.3
168.88971	0.4
169.08722	2.7
171.08086	0.4
184.00719	0.3
187.09770	41.5
187.11288	4.9
188.08540	0.4
188.10136	1.5
188.11642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22097	0.4
57.03449	0.5
58.07714	0.5
59.01382	75.4
59.94167	0.5
60.01722	0.9
61.98829	2.0
69.03455	0.6
69.83079	0.4
70.00313	0.4
71.01389	0.5
71.61613	0.4
71.62038	0.6
74.99358	0.8
87.04529	0.5
90.97141	1.2
94.93288	0.4
97.06590	0.7
97.41704	0.5
102.98863	0.6
114.98891	1.3
115.02508	3.1
117.00448	10.0
123.08189	0.7
125.09736	8.3
126.10086	0.5
132.98160	0.5
141.86703	0.5
142.89365	0.6
143.02032	1.3
144.97549	0.5
144.99933	1.5
159.01500	100.0
160.01605	6.5
161.01881	0.5
168.88860	0.8
186.95699	0.7
187.00987	12.3
187.04012	1.5
187.06180	0.6
187.07751	0.7
187.09752	4.7
187.13341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
51.64782	0.5
52.01949	0.6
55.14972	0.5
57.01917	0.6
58.02958	1.2
59.01365	1.7
67.01897	2.8
67.24486	0.5
68.99814	0.7
69.03461	0.7
71.01395	1.3
71.05015	3.0
72.00900	3.4
72.99303	1.5
81.03459	6.2
83.01383	1.4
85.02969	0.7
87.00882	1.3
97.02949	1.6
97.06586	1.4
98.02478	12.1
99.00874	4.4
99.04520	41.9
100.04053	3.3
100.04826	1.2
100.07708	1.4
102.05603	1.7
111.00871	0.7
113.02458	0.9
114.09253	0.9
115.04018	9.0
116.03542	25.3
125.02448	100.0
125.09708	1.6
126.02790	2.5
126.05616	0.8
127.00352	1.0
128.03532	2.1
142.05084	1.0
142.08728	2.3
143.03505	10.0
143.04633	4.2
143.07179	1.5
144.03024	23.1
144.06668	1.3
145.03308	0.7
145.07104	0.9
157.01430	0.7
161.38324	0.6
169.01389	0.7
170.04590	0.6
187.02321	10.7
187.03682	2.5
187.06158	1.4
187.07985	1.7
187.09615	0.9
188.05690	1.0
188.09267	2.8
205.37032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
55.29578	0.4
57.03433	1.4
59.01375	1.3
61.98829	0.6
65.00311	0.7
67.01895	0.9
68.99818	0.6
69.03447	1.1
70.91655	0.7
71.01366	0.7
71.04991	0.5
81.25972	0.4
83.01393	0.4
83.05020	0.6
85.02974	0.5
95.01391	1.4
95.05035	0.8
96.04567	0.6
97.06612	0.5
109.02948	0.8
111.00903	2.9
111.04503	0.8
112.00391	0.5
112.04034	0.5
124.01661	0.8
124.04045	0.5
124.98785	1.3
137.02432	1.2
139.00357	2.0
139.07690	1.0
139.11314	2.4
140.07149	1.1
141.02058	0.4
149.16756	0.4
152.98323	2.4
153.00891	0.5
164.98299	1.3
165.01924	1.6
168.00656	3.2
179.90973	0.5
182.99191	0.8
183.00699	0.8
183.02991	1.9
183.04482	0.6
183.06601	1.4
183.10512	4.1
183.13896	100.0
184.06149	1.1
184.14285	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	3-Oxodecanoate
Peak:m/z	Relative Intensity
54.26912	0.3
54.71936	0.4
56.04491	0.3
57.03461	0.8
59.01379	100.0
60.01712	0.8
61.98846	0.6
63.85197	0.3
68.99837	0.5
69.03458	1.3
71.01379	0.7
71.05007	0.6
76.42380	0.3
78.95908	0.8
83.05007	0.4
85.02967	1.0
85.06578	0.3
95.01421	0.4
95.05022	0.5
96.96963	1.0
97.02975	1.3
97.06618	0.8
99.00867	0.4
103.61368	0.4
111.00881	0.7
112.98844	0.4
113.02447	0.9
115.04014	0.4
123.08185	1.4
125.02461	1.1
125.09737	0.6
139.11409	0.4
139.87286	1.2
141.05530	0.4
141.09218	3.3
141.12862	0.5
143.17441	0.3
157.88330	0.6
183.08215	0.5
185.04547	0.9
185.06171	1.0
185.08202	0.9
185.09807	1.7
185.11835	18.4
185.15349	1.7
186.12318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1546
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
53.65228	0.4
55.81256	0.4
57.03424	0.5
59.01376	0.8
61.51071	0.4
61.98814	0.4
69.03452	1.9
71.01369	0.9
71.05025	0.8
71.45438	0.9
82.82634	0.4
83.01365	0.6
83.05051	0.4
85.02962	0.9
94.72714	0.4
95.01414	0.5
95.05037	0.6
97.02953	1.8
99.00890	0.8
99.04561	0.6
99.92596	0.5
109.02954	0.6
111.00893	1.2
113.02455	0.9
123.00858	0.4
123.08154	0.7
125.02457	2.1
139.87305	0.4
141.02077	0.4
141.09222	2.4
185.01041	0.4
185.04543	1.0
185.05952	0.7
185.12112	2.5
185.15466	100.0
186.15793	3.7
193.60399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1029
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
57.03452	76.9
59.01381	11.6
59.65799	3.9
65.00329	7.4
67.01881	8.0
67.44180	4.0
69.03458	100.0
69.30085	35.2
70.76068	3.5
71.05032	33.2
73.88732	3.7
75.47165	3.8
81.03466	6.2
83.01377	7.5
83.05035	18.9
84.52602	3.4
85.02954	11.2
85.06607	5.6
92.99827	5.5
93.03471	9.3
95.01379	11.7
97.02969	8.6
99.04539	4.3
109.02941	6.8
111.00889	20.7
111.04501	12.1
111.08161	33.6
112.04046	5.1
112.98508	4.6
113.02480	5.3
113.06026	5.1
123.00874	8.2
123.08141	14.4
124.01659	11.0
124.98808	13.6
136.98824	4.7
137.02434	11.4
137.09702	7.8
139.00395	12.5
139.03992	4.6
139.07677	4.0
139.11310	71.3
140.01068	5.6
140.07173	8.3
141.01932	12.2
150.74570	4.3
151.60892	3.6
152.98300	36.1
155.03503	5.0
164.98306	21.0
165.01921	9.7
168.00685	27.7
168.97639	3.6
183.02979	24.3
183.04440	12.2
183.08145	6.5
183.10271	97.5
183.13884	17.4
184.06210	4.6
193.57814	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	183.1026
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
55.01860	1.4
56.75467	1.3
57.03450	8.7
59.01363	5.0
61.01458	1.3
67.01892	3.0
69.03453	11.9
69.30260	10.5
69.30676	2.8
71.01385	3.9
71.05022	69.4
72.99316	2.2
81.03466	2.9
83.01363	2.6
83.05029	5.6
83.26521	1.3
85.02945	1.4
87.04533	3.4
93.03463	2.3
95.01395	4.5
95.05028	2.3
97.02946	3.1
99.00862	1.5
109.02969	2.1
109.40176	1.3
111.00911	4.0
111.04525	4.8
111.08163	2.7
112.98682	1.3
123.00850	1.6
123.08164	2.6
124.01682	3.2
124.98830	3.3
125.02420	2.0
137.02455	3.1
137.09706	3.6
139.00356	4.0
139.04034	2.4
139.07663	1.8
139.11282	7.2
140.01164	1.7
140.07187	2.2
141.01974	5.1
152.98314	6.5
155.10837	2.0
164.98289	1.5
165.01942	3.8
168.00630	8.3
183.00502	2.7
183.03000	7.3
183.10260	100.0
183.13768	8.6
184.06036	2.2
184.10593	4.2
189.88422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.75822	0.5
58.02954	0.5
59.01389	2.0
63.96247	2.1
65.00332	0.6
65.95824	9.6
65.96658	0.7
66.03509	0.8
67.01897	95.5
68.02225	1.0
68.99816	3.7
69.03471	3.2
70.03003	0.5
71.01394	1.6
72.99325	0.7
73.02948	0.6
78.98598	5.4
79.95746	100.0
80.95787	0.6
80.96525	21.1
80.98177	31.8
80.99014	2.4
81.02209	3.2
81.03477	0.7
81.50619	0.5
82.02987	8.3
82.96117	0.7
83.01385	3.4
83.05022	0.8
84.00923	3.7
84.04561	1.3
84.74297	0.5
85.02959	1.0
87.00918	1.1
88.04157	0.5
93.03491	0.8
94.02136	0.4
94.02962	0.6
94.98094	0.6
95.01398	3.2
95.02578	0.6
95.03351	1.0
95.05060	1.4
96.00947	0.9
96.04559	19.6
96.96022	6.1
97.02969	1.3
98.02490	4.9
99.00920	1.6
99.05670	0.6
101.02468	1.2
105.23605	0.4
105.51492	0.4
109.02976	1.8
110.02512	4.8
111.00890	4.5
111.02023	0.5
111.04525	1.2
111.05715	0.6
112.04054	6.3
113.03816	0.4
113.92574	0.6
120.99664	20.2
121.02963	1.0
122.02566	0.5
122.06143	0.9
123.00950	0.8
124.01698	0.7
124.04060	1.6
124.98859	1.8
125.01178	1.4
125.02476	1.0
126.98907	0.4
136.99147	1.3
137.02495	1.0
137.03548	0.9
138.02045	0.5
139.00432	19.9
139.02179	0.9
139.04033	1.3
139.05183	2.0
140.03548	13.6
140.07170	1.0
152.98296	3.0
153.02150	0.6
156.03035	19.0
164.98634	36.0
165.02155	1.5
165.06737	0.7
168.00656	2.8
182.99719	38.4
183.01428	3.3
183.03293	35.3
183.07820	0.6
184.00066	0.7
184.02562	1.7
184.06190	1.1
191.22131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9937
Annotation	Chelidonic acid
Peak:m/z	Relative Intensity
51.00308	0.6
57.98950	0.8
64.69041	0.6
67.01895	16.8
68.77378	0.6
69.73459	0.7
70.45487	1.2
75.49228	0.8
79.95739	100.0
80.96513	14.1
81.02176	0.9
82.02968	1.3
96.04563	2.4
96.96968	0.9
101.02446	1.6
109.60943	0.7
110.02496	0.8
112.04031	1.0
120.99662	23.8
126.98885	2.7
136.99139	0.9
139.00383	3.8
139.15247	0.7
140.03542	1.7
156.03012	2.3
156.87450	0.7
164.98624	45.8
165.98964	1.3
182.99678	50.4
184.00073	0.8
184.02469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
59.01358	0.5
59.67240	0.3
67.01892	0.6
69.48412	3.1
69.49443	0.3
71.01370	0.5
79.08294	0.4
83.65813	0.3
95.01398	1.3
97.11524	0.3
101.40536	0.4
122.99961	0.7
123.00881	15.0
124.01202	0.6
134.65602	0.4
137.02446	1.1
151.00368	86.5
152.00713	2.5
165.01923	2.3
166.02710	100.0
167.03029	2.8
181.05063	14.2
182.05438	0.4
185.11501	0.4
190.47066	0.5
195.39922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	(-)-5-oxo-1,2-campholide
Peak:m/z	Relative Intensity
55.01888	0.6
57.03447	0.4
59.01385	1.6
61.98826	0.4
65.00330	0.9
65.71568	0.2
67.01892	3.3
69.03470	0.9
70.54601	0.7
71.01392	1.8
73.02967	0.5
76.74350	0.2
81.03456	5.5
81.03916	0.4
83.01403	0.3
83.05022	1.9
85.02956	0.5
89.02446	1.0
93.03465	6.6
94.02997	0.7
95.05035	2.1
97.02962	0.4
101.02465	1.0
109.02966	0.9
109.06600	0.6
119.05086	0.4
119.08672	6.2
120.50822	0.3
121.06599	2.9
122.03754	0.4
123.00899	3.4
123.04479	0.5
125.02490	0.3
133.03044	0.2
135.04556	0.3
135.08163	2.8
137.02489	1.1
137.09731	100.0
138.01979	0.8
138.03008	0.3
138.05602	0.2
138.10078	3.2
151.00380	15.9
152.00777	0.6
153.01953	0.5
153.09227	6.2
154.09511	0.3
165.01955	0.6
166.02721	19.0
167.03085	0.7
167.90837	0.2
170.50906	0.3
178.99695	0.2
181.01584	1.1
181.05127	3.9
181.07289	1.3
181.08708	23.5
181.12216	0.8
182.09041	1.0
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-Pyridoxic acid
Peak:m/z	Relative Intensity
59.01389	0.3
61.98835	0.8
65.03974	0.2
66.03507	0.3
67.01900	1.2
69.03461	0.6
70.36389	1.0
71.01396	0.4
79.95741	0.4
80.05091	0.3
83.01404	0.7
83.05031	0.5
92.05078	4.8
92.15272	0.2
93.03455	0.4
94.03004	2.9
95.01381	0.5
95.05082	0.3
96.04575	0.7
96.96019	1.8
97.02968	0.8
98.04224	0.2
106.03021	0.3
108.04567	54.4
109.02975	0.5
109.04903	1.2
110.02489	0.8
110.03239	0.2
110.06139	1.1
111.00893	0.3
111.04526	0.7
120.04564	5.9
121.03024	0.4
122.02499	1.7
123.00912	0.8
123.03276	2.0
123.04570	0.3
124.01665	0.4
124.98829	1.1
125.02467	0.4
131.71317	0.2
132.03740	0.3
136.04059	1.0
137.02470	0.4
138.02090	1.6
138.05626	100.0
139.00377	0.5
139.04099	0.5
139.05981	3.1
139.07663	0.2
148.04102	0.3
151.00363	0.5
152.00778	1.8
152.03511	1.2
152.98299	1.8
166.99986	0.3
167.03139	1.7
168.00653	1.6
182.04587	23.2
183.01640	0.5
183.03204	1.6
183.04967	0.6
183.10265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
56.51810	0.2
57.03443	0.3
58.81269	0.2
59.01379	4.6
63.02391	0.5
69.03445	0.4
69.62135	1.3
71.01382	4.1
73.02942	0.7
75.00875	1.7
81.03493	0.3
83.01369	0.4
85.02948	1.8
87.00873	7.7
89.02442	1.9
93.03449	2.4
95.01397	0.9
95.04990	0.3
97.02930	0.4
99.00883	1.9
101.02434	1.0
107.01385	0.7
107.05020	1.0
108.02218	0.4
109.02953	0.9
113.02416	0.7
117.01974	1.2
121.02953	67.3
122.03182	1.9
123.00854	0.6
123.04567	0.3
125.02443	0.9
135.00995	0.3
135.04526	3.2
135.08159	0.4
136.01642	0.9
136.07640	0.4
137.02440	1.1
141.01913	0.7
146.03746	4.2
149.02437	1.7
151.00391	0.5
151.03981	1.2
161.04550	4.0
161.06035	1.1
163.04056	0.5
164.01160	3.8
164.04787	100.0
165.01714	0.3
165.05118	3.2
177.04062	0.4
178.99850	1.0
179.03514	3.1
179.05609	4.0
179.07143	11.0
179.10768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03444	1.9
58.00580	1.2
59.01380	17.3
63.02415	7.0
65.00332	4.9
66.03491	1.7
67.01897	2.6
68.99805	2.2
69.03466	21.7
70.92313	2.9
71.01391	35.5
71.05019	1.6
72.99294	1.9
73.02951	8.2
75.00856	3.7
80.62627	1.4
81.03436	2.3
83.01398	11.4
83.05028	13.8
85.02962	20.4
85.06600	3.5
87.00885	100.0
88.27013	1.1
89.01986	1.2
89.02448	7.9
91.01915	1.5
94.02996	4.9
95.01395	4.3
95.05016	3.3
95.37416	1.3
97.02959	9.0
97.06597	4.6
99.00891	25.4
100.03466	1.2
101.02454	9.6
107.01389	11.4
107.05035	5.3
107.29500	1.0
108.02179	4.2
108.04605	1.2
109.02975	6.6
109.06606	1.6
111.00894	1.3
111.45049	1.0
113.02464	4.7
117.01952	16.2
121.02969	30.0
123.00880	2.0
123.04490	1.5
123.08160	3.3
125.02443	13.1
125.09702	1.7
129.01959	2.2
134.69266	1.0
135.00899	3.9
135.04549	18.3
135.08171	3.3
136.01654	3.3
136.05220	1.7
136.07646	1.7
137.02412	2.4
137.06088	1.4
141.01965	10.5
146.03737	2.4
149.02443	4.1
151.00365	14.0
151.04005	5.2
151.07677	3.0
159.03021	3.3
161.04581	55.3
161.05920	1.8
162.04887	1.8
163.11302	1.8
164.01180	15.7
164.03442	2.4
164.04816	47.8
165.05147	1.9
167.22395	1.1
169.01442	6.5
177.03969	1.9
177.12868	2.7
178.84377	2.2
178.99915	11.9
179.03526	13.2
179.05618	61.6
179.07141	13.7
179.10880	6.3
179.14427	62.8
180.02940	1.7
180.06728	1.1
180.14755	3.8
193.41757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0557
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
59.51971	0.2
61.00302	0.2
61.64676	0.2
61.75516	0.2
69.04771	0.2
69.32298	1.7
71.01397	0.2
93.03456	0.4
99.00792	0.1
100.84928	0.2
105.03487	0.3
106.04241	0.6
108.42823	0.2
117.03458	0.2
120.02181	0.7
121.02949	0.3
123.04517	0.2
125.08265	0.2
129.01979	0.2
133.02951	0.9
133.06613	0.3
134.02695	0.3
134.03741	5.8
149.02390	0.3
155.54834	0.2
161.02458	1.9
162.03224	100.0
163.03554	3.8
163.61424	0.2
166.99445	0.2
177.02052	1.1
177.05565	12.4
177.08975	0.3
178.05920	0.5
192.52509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93057	0.2
59.01387	0.2
61.98830	0.7
69.87611	0.9
69.88012	0.4
71.01407	0.2
79.95751	0.2
81.14574	0.2
87.00880	0.4
98.19708	0.2
105.77402	0.2
112.34954	0.2
119.93729	0.5
126.01234	0.2
134.96091	21.1
135.96156	1.1
136.94011	100.0
137.94087	5.9
138.94417	0.3
151.92719	12.2
152.92790	0.8
154.95064	0.4
178.95061	50.7
179.05692	0.3
179.95172	3.5
196.96069	0.5
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	Caffeic acid
Peak:m/z	Relative Intensity
57.03444	0.3
59.01379	2.1
62.96501	0.2
63.02398	0.6
65.00330	0.2
67.04872	0.2
69.03454	0.3
69.83424	0.4
69.83849	0.6
71.01385	2.4
72.99323	0.3
73.02939	0.4
75.00870	1.0
81.03462	0.3
83.01401	0.5
85.02966	0.8
87.00877	4.3
89.02456	0.9
89.03969	0.3
91.05537	0.6
93.03455	0.3
95.01392	0.3
97.02956	0.5
99.00893	1.0
101.02465	0.5
106.04259	0.2
107.01399	0.7
107.05032	1.9
108.02181	0.5
109.02962	0.6
113.02446	0.3
117.01959	0.6
117.03425	0.4
121.02950	1.4
123.00879	0.3
123.04482	0.2
125.02473	0.7
133.02919	0.2
134.02699	0.3
134.03746	6.1
135.04527	100.0
136.01659	0.2
136.04861	2.8
137.02429	0.2
139.62383	0.2
141.02002	0.3
149.02380	0.3
151.00403	1.3
151.03973	0.4
151.07663	0.3
161.04552	2.1
164.01198	1.5
164.04807	2.6
169.01448	0.5
179.00072	1.0
179.03510	15.6
179.05594	2.6
179.07111	1.0
179.10793	0.3
180.03799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
51.79530	0.3
55.01886	0.6
57.03455	0.9
58.00596	1.3
59.01379	23.2
68.80260	0.4
68.99821	0.5
69.03452	0.8
70.68208	1.0
70.99374	0.4
71.01385	15.4
71.05015	3.0
72.01770	0.7
72.99311	10.1
73.02951	6.9
75.00873	100.0
76.01215	1.0
76.65290	0.5
81.03464	5.6
83.01384	1.7
84.02156	0.5
85.02946	8.2
87.00878	7.7
87.30434	0.5
89.02440	8.4
95.01392	0.4
97.02956	2.7
99.00880	5.6
99.04521	2.2
101.02452	1.2
113.02470	0.6
125.02442	0.9
131.03499	2.7
143.03508	11.5
147.01831	0.5
161.03229	0.6
161.04561	10.7
179.05606	45.4
180.05936	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
52.13292	0.6
57.03448	0.9
58.00591	1.2
59.01090	1.3
59.01379	20.2
61.12770	0.7
62.24979	0.6
67.07320	0.6
68.99804	0.9
69.03466	0.6
70.23817	1.8
71.01382	13.3
71.05017	2.7
72.99300	10.3
73.02952	7.1
74.91203	0.6
75.00874	100.0
76.01197	0.9
81.03457	6.8
83.01408	1.2
85.02956	5.7
87.00877	8.6
87.90205	0.7
89.02444	7.5
96.59392	0.7
97.02970	1.2
99.00884	5.8
99.04499	2.9
101.02454	1.5
113.02444	1.1
117.01997	0.6
131.03482	2.9
135.08025	0.7
142.17146	0.7
143.03516	12.7
161.04573	10.1
179.05612	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03437	1.8
59.01381	4.9
69.03484	0.6
69.62453	1.0
69.62858	1.3
71.01371	1.3
71.05043	0.5
71.29239	0.4
72.99274	0.4
74.84408	0.4
85.02962	0.6
85.06594	43.6
86.06912	0.9
87.00886	1.2
87.04512	1.7
96.35836	0.4
113.06091	39.8
114.06431	1.0
115.00369	1.3
115.04015	100.0
116.04342	2.7
118.04675	0.4
120.05112	0.4
129.05582	1.0
131.07130	7.7
148.01669	0.5
157.05055	9.1
174.88988	1.4
175.06120	45.1
176.03464	0.6
176.06482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
57.03458	0.4
59.01375	1.1
61.26342	0.3
63.52377	0.3
65.87063	0.3
68.99811	0.4
69.49763	2.4
71.01376	1.1
75.00880	0.5
76.52764	0.3
77.03970	0.7
81.03458	2.8
85.02955	0.5
87.00862	0.3
89.00693	0.3
89.02436	0.5
89.03976	9.4
90.04341	0.4
92.61363	0.3
93.03465	3.0
95.01398	0.4
95.05018	2.2
95.30606	0.3
99.00852	0.6
105.03467	14.3
107.01367	0.7
109.02917	0.6
121.02964	3.1
123.04479	0.4
129.01962	0.6
133.02963	30.9
133.06621	1.0
134.03397	1.1
135.00867	0.5
139.04010	0.8
148.04088	0.3
149.02444	5.5
149.06082	0.6
159.08255	0.3
161.02499	0.4
162.03235	9.1
176.23828	0.3
177.01939	100.0
177.09206	0.9
178.02296	4.4
192.64378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.4
55.01876	1.1
55.56385	0.3
57.03453	6.2
58.00618	0.3
58.02971	0.9
59.01384	2.2
65.17095	0.3
65.24007	0.3
67.01892	8.4
67.05861	0.2
68.99814	1.2
69.03449	0.7
70.02979	0.5
70.27527	0.4
70.27881	1.0
71.01384	15.7
71.05027	0.5
72.99317	2.0
73.02953	2.2
75.00861	0.4
81.03423	0.3
83.01383	3.7
83.05035	2.0
85.02956	14.5
85.06583	2.1
85.34478	0.3
86.03289	0.3
86.06092	0.4
87.00887	4.6
93.03466	3.2
95.30959	0.3
96.00900	0.3
96.99324	0.6
97.02963	1.3
99.00892	5.0
99.04499	0.5
100.07691	0.9
101.02444	1.1
108.02815	0.2
111.00884	100.0
111.04514	6.0
111.08145	0.3
112.01231	2.3
112.98826	3.8
113.02443	1.0
115.00377	0.7
117.03788	0.2
124.98812	4.3
125.02457	0.5
125.99127	0.3
128.07179	1.7
129.01962	2.6
129.05588	1.9
129.07614	0.3
131.08231	0.4
132.06674	0.8
137.02411	0.3
140.98300	0.3
142.37660	0.3
142.99863	10.0
151.10883	0.3
154.99910	2.6
155.03503	2.3
155.04648	0.6
173.00925	2.9
173.04536	2.9
173.08202	0.6
174.07698	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	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01869	0.4
57.03457	5.0
58.02973	1.4
58.08689	0.3
59.01372	0.7
62.34809	0.3
67.01897	9.0
68.99809	0.7
70.78628	0.5
70.78976	0.6
71.01389	2.4
72.99313	1.0
73.02937	0.8
80.07861	0.3
83.01406	2.0
83.05025	0.5
85.02958	36.9
85.06574	0.4
86.03276	0.5
87.00880	0.6
88.04076	0.4
93.03473	0.4
99.00896	1.2
99.12374	0.3
100.07706	1.0
101.02454	0.9
111.00892	100.0
111.04520	1.2
112.01217	2.7
112.98789	0.4
113.02501	0.4
124.98809	0.6
128.07228	2.0
129.01944	5.7
129.05603	0.5
132.06638	0.4
142.99884	1.0
154.99884	2.5
155.03517	0.8
173.00926	1.5
173.04572	1.0
174.07722	1.5
176.45142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03524	0.5
55.01863	1.0
56.55872	0.4
57.03450	5.4
58.02969	2.8
59.01382	2.3
66.34933	0.4
67.01894	8.5
68.99816	3.2
70.50768	1.1
71.01381	6.0
71.34859	0.5
72.99315	1.7
73.02939	1.5
77.92918	0.5
83.01395	4.3
83.05019	1.1
85.02954	24.0
85.06586	1.3
86.03324	0.7
86.06122	1.6
87.00886	1.5
93.03465	1.5
99.00880	2.7
100.07687	1.8
101.02439	1.6
111.00885	100.0
111.04519	3.4
112.01224	1.7
112.98802	0.6
120.54790	0.4
124.98814	1.6
125.02457	0.6
128.03528	0.7
128.07176	4.2
129.01938	5.6
129.05583	1.3
132.06662	1.1
142.99884	2.1
154.99884	1.8
155.03505	1.5
173.00975	2.4
173.04532	2.4
174.07727	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	171.1392
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
50.07670	0.3
57.03444	0.4
59.01371	0.7
61.98816	0.9
65.00324	0.6
68.99812	0.5
69.45937	0.3
69.46235	2.6
71.01392	0.9
81.03460	0.5
83.01379	0.4
83.05042	0.7
84.04540	0.3
89.02437	0.6
98.02538	0.3
99.00892	1.6
99.04517	0.3
99.08103	0.3
99.92597	15.2
105.91385	0.3
109.02962	0.8
109.06620	0.4
111.00909	0.6
115.92058	1.9
117.22093	0.3
123.00922	0.4
124.89108	0.7
127.04009	0.5
127.07658	3.5
127.11302	0.8
130.08739	0.5
144.04521	0.9
151.05815	0.3
152.98299	0.4
163.18387	0.3
170.83331	0.7
170.99550	0.4
171.01994	3.5
171.03104	0.3
171.06604	1.2
171.10310	12.6
171.13916	100.0
171.91075	4.0
172.04079	0.5
172.10695	0.6
172.14256	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
53.63757	0.3
57.03473	0.3
58.02977	1.3
58.84063	0.2
59.01406	0.5
60.59685	0.2
67.01929	1.0
69.03478	0.3
71.01424	0.9
71.62119	0.3
72.99340	0.3
73.02984	0.5
82.06646	0.6
83.05066	0.5
85.02977	0.5
85.06631	0.3
93.03459	5.5
99.00896	0.5
111.00882	1.3
111.04523	0.8
111.08168	0.7
112.98832	0.2
115.00359	0.3
115.92104	0.2
127.07664	0.7
128.07965	0.4
128.10823	2.7
129.68712	0.2
130.08740	100.0
131.09087	2.9
144.04501	0.7
145.02962	0.3
162.86746	0.3
172.03992	0.4
172.05257	0.3
172.09753	12.4
173.02361	0.5
173.04509	0.8
173.06049	0.8
173.08171	0.8
173.10133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59153	1.4
54.11279	1.5
57.03440	2.9
59.01379	3.5
61.98835	5.2
65.00319	1.6
67.01891	2.0
68.99813	2.4
69.03445	7.4
70.95219	3.7
71.01371	7.4
71.05006	2.0
80.96536	2.1
81.03457	3.8
83.05047	3.5
88.89244	1.5
95.01406	3.2
95.05029	1.7
97.02959	10.0
97.06615	3.2
98.76557	1.6
99.00847	1.9
107.01410	2.1
107.05018	2.8
111.04513	4.5
113.02441	1.7
119.31582	1.6
122.89434	24.4
123.04457	1.7
124.01714	1.6
125.02454	100.0
125.06070	3.3
125.09745	7.6
126.02837	3.9
126.05641	1.9
128.07170	2.2
130.74220	1.5
139.00359	1.8
140.03503	2.4
141.01915	2.0
150.97086	3.1
151.00392	2.4
151.04166	1.7
153.99092	6.5
154.55595	1.4
166.28828	1.3
168.97940	2.3
169.01425	37.5
169.03825	3.1
169.05128	3.8
169.06427	3.5
169.08759	7.6
169.10043	2.0
169.12338	6.5
170.04591	2.6
170.08205	3.5
170.29346	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	169.1235
Annotation	3-exo-hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
52.73185	1.7
57.03426	2.3
59.01387	11.4
61.98827	4.9
63.08234	1.4
68.99834	2.1
69.03451	6.9
70.08183	3.0
70.08583	4.0
71.01385	4.9
71.05049	1.9
81.03465	3.4
83.01399	3.0
92.52274	1.7
95.01376	2.7
97.02954	7.2
97.06595	1.8
97.93126	2.6
98.02480	2.1
98.20502	2.0
107.01354	2.4
113.02457	1.5
122.89424	16.6
125.02453	100.0
125.06085	3.4
125.09724	7.0
126.02792	4.4
128.07173	3.3
131.70895	1.5
132.86774	2.1
134.86528	5.1
151.00336	2.3
151.11308	3.8
153.99107	2.6
168.83679	3.9
169.01431	37.3
169.03702	1.8
169.05072	3.3
169.08653	4.2
169.12341	92.6
170.04543	1.8
170.08226	2.1
170.12692	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01860	0.3
57.10652	0.2
61.98838	0.2
69.66685	0.6
69.67107	1.1
71.01384	0.2
73.82720	0.2
74.33885	0.2
91.63267	0.2
98.19897	0.5
99.00899	0.4
99.08176	0.4
99.92581	3.3
109.02934	0.3
109.06516	0.3
115.92047	0.3
123.08200	0.5
125.09734	4.1
127.07684	0.5
127.11295	7.5
138.35625	0.2
153.09210	1.3
171.02002	0.7
171.10271	100.0
171.13809	4.8
171.91103	0.8
172.10611	3.6
172.14233	0.2
176.25182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9812
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
50.52740	0.3
58.30228	0.4
60.69975	0.4
69.59192	1.9
71.01383	100.0
72.01733	1.6
72.99320	0.4
78.95881	0.5
79.95731	0.8
80.96516	35.1
82.60087	0.3
87.00887	3.0
96.95993	0.7
106.98109	1.1
108.09278	0.3
113.02456	0.3
122.97594	1.1
125.02501	0.4
134.28670	0.4
145.88196	0.3
150.97070	59.3
151.97394	1.2
168.98123	62.1
169.98474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03456	1.3
59.01376	0.9
61.98821	0.9
65.00312	1.2
67.01903	0.8
68.99832	1.2
69.03457	1.2
73.02950	3.0
78.98575	0.8
79.01916	0.8
81.03459	1.5
83.01385	0.9
83.05016	0.9
91.01870	0.8
93.03464	1.7
95.01391	5.9
95.05020	3.1
97.02961	2.2
97.06633	1.1
98.20638	1.2
99.04525	1.0
108.02171	12.0
108.04547	0.8
109.02972	1.2
109.06612	0.6
111.00922	1.6
111.04529	0.8
113.09723	4.4
120.89904	1.6
121.02950	1.5
123.00896	5.1
123.04527	11.2
123.08119	1.8
124.01688	3.2
125.02451	3.5
125.06065	0.7
137.02399	1.0
139.00386	2.0
139.04019	3.9
149.02434	0.6
150.05643	0.8
152.01157	32.3
153.01613	1.3
166.83353	1.6
166.99864	1.0
167.03508	21.7
167.07364	3.1
167.10771	100.0
168.11082	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	167.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33259	0.3
74.24411	0.3
92.38342	0.3
96.23672	0.3
98.20635	0.9
108.02176	0.8
123.04515	1.0
152.01131	2.1
165.78339	0.3
167.03528	1.1
167.10770	100.0
168.11110	4.9
187.97136	0.3
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
58.02977	100.0
59.03312	0.5
61.98846	0.3
69.03460	0.4
69.07935	0.3
70.03000	0.5
70.91766	0.5
71.01385	0.3
91.93102	0.3
97.02958	0.4
102.80000	0.3
122.89425	1.9
125.02448	4.1
126.02814	0.3
126.60477	0.4
136.87733	0.3
151.11331	0.5
168.03879	1.2
168.13927	7.6
169.01419	1.5
169.14381	0.3
183.69104	0.3
188.55957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0407
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
56.28598	0.3
57.03433	0.5
59.01382	8.5
68.99780	0.4
69.99275	1.1
69.99668	0.6
71.01385	7.3
72.99311	5.4
73.02947	3.5
73.44040	0.3
75.00874	12.1
83.68717	0.3
85.02969	0.4
87.00879	100.0
88.01213	2.1
89.02439	2.4
99.00888	11.8
101.02451	3.9
103.00388	0.7
105.01937	76.1
105.07247	0.3
106.02287	1.3
117.01951	2.7
119.03497	0.7
129.01904	0.3
135.03009	2.0
147.02997	7.9
165.04044	51.9
166.04379	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	166.027
Annotation	isovanillate
Peak:m/z	Relative Intensity
53.00330	0.3
55.01884	0.3
56.60691	0.2
58.83404	0.3
66.03484	0.3
67.01889	7.7
69.03458	0.4
70.48967	0.2
71.63502	0.2
72.99310	0.3
78.98592	0.3
79.01898	1.0
81.03458	0.5
81.21466	0.2
83.01357	0.4
95.01390	8.6
95.05045	0.5
97.02958	0.7
99.04524	0.4
101.29630	0.2
105.01965	0.3
107.01381	0.3
108.02187	1.6
108.04536	0.4
109.02962	0.6
111.00896	0.4
111.04543	0.2
121.03013	0.3
122.03312	0.8
123.00887	52.7
123.04503	1.6
124.01106	1.3
124.03970	0.3
125.02465	1.6
137.02480	1.7
138.01894	0.3
138.02849	0.3
138.05626	0.4
139.04001	0.3
148.04903	0.3
149.02490	0.3
151.00369	100.0
152.01146	10.3
165.01915	2.2
166.02719	7.0
167.03485	7.5
167.07208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9987
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02382	0.9
53.00310	0.4
55.01889	0.4
57.39521	0.3
59.01403	0.3
65.00307	0.4
67.01891	2.1
68.99822	2.9
69.03458	2.3
71.01392	0.3
71.05005	0.4
71.61926	0.3
79.01891	0.7
79.05515	0.2
80.02706	0.3
81.03459	3.8
83.01384	1.6
83.05047	0.7
87.00893	0.5
89.01307	0.6
91.01940	0.6
93.03474	1.4
95.01393	100.0
95.05031	2.9
96.01714	2.6
96.04558	1.2
97.02956	4.1
99.04521	3.2
99.53243	0.3
107.01397	0.6
107.02378	0.5
108.02177	5.9
108.04536	0.5
109.02977	2.3
110.00124	0.3
111.00889	0.6
111.01971	0.3
111.04515	1.1
111.08150	0.7
121.02971	1.1
122.06142	0.6
123.00893	62.6
123.04502	5.2
123.08154	1.1
124.01737	6.5
124.07658	0.8
124.98820	0.6
125.02453	5.6
137.02444	1.4
137.99597	0.4
138.03217	0.5
139.00388	0.5
139.02904	0.3
139.04008	3.7
139.07626	1.6
140.07144	0.4
149.02408	0.9
149.06100	0.7
149.99593	3.1
150.05469	0.3
151.00363	1.8
152.01164	18.5
152.04816	0.9
152.80553	0.3
153.01932	2.1
166.99867	10.2
167.03482	19.6
167.07162	2.4
168.00688	1.6
168.06638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0324
Annotation	4-Hydroxycinnamate
Peak:m/z	Relative Intensity
50.36233	0.8
51.10591	0.9
57.63064	0.7
59.01381	2.6
59.40870	0.8
61.98841	1.0
69.54395	2.4
69.54803	4.1
71.01405	1.4
72.01738	1.9
73.02941	2.1
74.03264	1.1
83.01403	1.0
84.01740	1.2
84.31420	0.8
85.02979	2.9
86.03286	3.3
91.01907	2.9
93.03470	3.5
96.64687	0.9
101.02467	1.2
106.04245	4.4
107.05025	2.0
115.92091	6.4
117.03477	2.3
118.03006	3.3
119.01403	3.3
119.05038	70.1
120.02177	3.9
121.02968	3.4
123.04549	2.9
132.03886	1.5
133.02946	6.9
134.02687	1.4
134.03757	27.7
135.00845	1.2
135.04579	6.0
145.02919	2.2
147.03273	0.9
161.02483	8.0
161.89462	2.1
162.02016	6.7
162.03235	100.0
162.05478	3.0
162.89319	6.1
162.95384	2.0
163.00397	6.1
163.04028	35.8
163.06194	1.9
163.07639	2.0
163.11342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
61.98840	3.2
62.05571	1.2
69.33711	7.7
69.34129	3.3
71.75201	1.2
82.47962	1.2
92.01416	1.4
92.31961	1.3
96.34441	1.0
98.19897	2.1
115.92122	1.6
116.92117	16.1
117.91938	3.9
119.01345	1.3
119.05034	28.0
120.05368	2.2
126.66785	1.1
162.83969	6.1
162.89253	1.4
162.91487	1.9
163.00406	2.0
163.04034	3.7
163.06108	1.6
163.11295	100.0
164.03493	1.8
164.11652	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.20035	0.6
59.01380	1.2
61.64302	0.7
64.11844	0.6
64.18795	0.5
70.07806	1.9
71.01379	1.1
72.00908	41.4
72.99300	0.8
73.01254	0.6
75.00872	1.9
76.18298	0.5
86.28458	0.6
87.00877	13.4
91.05518	2.8
93.03429	0.9
93.98720	0.7
96.23398	0.5
98.19963	0.7
99.00858	1.3
101.02458	0.9
103.05550	1.7
105.01930	9.5
112.53455	0.7
119.05006	1.1
120.05364	0.6
121.02954	5.4
127.21627	0.6
137.02438	2.1
140.48245	0.5
147.04521	100.0
148.04865	5.0
150.03195	3.3
164.07166	46.1
165.01964	0.9
165.04048	4.9
165.05504	1.0
165.07584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
59.01365	1.8
60.19336	0.4
65.03975	0.4
67.01893	1.4
68.99793	0.5
69.92345	1.8
71.01383	1.5
72.57275	0.4
72.99300	1.2
73.02931	0.4
75.00872	2.0
77.03963	3.1
79.01846	0.4
81.03473	0.6
83.01392	1.5
87.00880	17.7
89.02471	0.5
93.03473	3.5
95.01413	0.8
97.02963	1.0
98.19971	0.5
99.00886	1.6
101.02473	0.5
102.35336	0.3
105.01936	14.5
108.02203	0.5
109.02963	2.7
117.01955	0.8
119.05003	1.0
121.02959	100.0
122.03249	3.0
123.00863	0.8
123.04507	0.5
137.02451	11.9
138.02957	0.4
147.02969	1.2
147.04434	1.7
149.01010	0.4
150.03265	2.1
151.00357	0.4
164.89571	0.5
165.01924	13.6
165.04047	8.1
165.05554	2.8
165.09221	0.9
166.02710	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	161.0243
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
55.01854	0.2
57.03446	0.6
58.00579	0.2
59.01374	3.2
65.00320	0.4
69.03450	0.4
69.32609	1.4
69.32939	0.2
71.01381	3.4
72.99308	0.6
73.02946	2.4
75.00868	0.3
77.03959	0.2
81.03439	0.5
83.01389	1.0
85.02953	4.2
86.03294	0.2
87.00871	1.1
89.02464	0.8
89.03967	1.6
95.05042	1.3
97.02970	0.4
99.00857	0.3
99.04521	0.3
101.02439	0.5
102.67403	0.1
105.03459	0.5
111.93846	0.1
113.02464	0.7
117.03464	3.1
118.02990	0.2
123.04523	4.6
124.04849	0.3
125.02445	0.2
131.03494	1.2
133.02953	18.9
134.03278	0.9
160.89287	0.4
161.02440	100.0
161.04593	2.5
161.89418	0.2
162.02802	4.8
162.05627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	2-Dehydro-3-deoxy-L-rhamnonate
Peak:m/z	Relative Intensity
55.01878	4.1
55.59798	1.6
57.03447	14.0
58.00596	3.6
59.01384	47.5
61.27349	1.7
69.03448	5.5
70.43295	1.6
70.68259	2.6
70.68593	3.7
71.01385	48.7
71.05027	69.0
72.99317	6.2
73.02952	58.0
75.00883	1.9
81.03466	6.3
83.01395	16.0
85.02956	40.2
87.00884	78.6
87.04541	4.7
88.01204	2.6
89.02467	9.0
95.01366	2.2
97.02975	4.7
99.00886	2.4
99.04530	61.2
101.02454	26.9
113.02430	8.1
115.04021	33.8
117.05589	40.4
124.12431	1.6
124.45338	1.8
131.03506	18.4
133.56259	2.0
143.03516	100.0
144.03893	3.2
161.02478	3.8
161.04581	75.4
161.14995	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	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
54.32528	0.4
57.03438	0.7
60.47533	0.4
69.46751	0.4
71.01369	0.7
71.27539	0.7
71.27904	0.4
77.25211	0.4
85.02958	0.4
86.06124	0.9
89.74980	0.4
97.02985	1.2
112.04070	1.1
112.07678	1.0
115.04012	0.6
140.07169	2.1
145.56651	0.4
156.06703	2.5
158.08237	100.0
159.02985	1.0
159.08577	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	161.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.43394	0.2
57.03452	3.3
58.00603	1.0
59.01380	11.3
65.00325	0.4
69.03461	1.1
69.54681	1.3
69.55096	0.4
71.01384	12.7
71.05025	0.9
72.01705	0.2
72.99303	2.1
73.02948	10.6
74.03262	0.2
75.00879	1.2
81.03445	1.8
81.03790	0.2
83.01386	3.5
84.02171	0.3
85.02953	16.0
86.03270	0.3
87.00885	3.3
87.04517	0.6
89.02443	2.8
89.03973	1.3
93.03424	0.3
94.32468	0.2
95.01375	0.6
95.05019	1.3
97.02946	1.3
99.00897	0.6
99.04523	2.8
101.02449	2.0
105.03465	0.7
113.02456	3.3
115.03995	1.1
115.92091	1.2
117.03477	4.1
117.05573	0.8
118.02979	0.6
118.03801	0.3
118.92669	0.4
123.04525	4.7
125.02431	0.7
129.01984	0.3
131.03508	6.1
132.03833	0.4
133.02956	17.2
134.02402	0.3
134.03320	0.7
136.57881	0.2
143.03526	0.6
147.03342	0.3
159.02986	0.3
160.84241	0.6
160.89267	2.1
161.02449	100.0
161.04413	10.7
161.08209	1.8
161.89453	1.1
162.01552	0.4
162.02910	4.9
162.05577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
54.87848	0.2
55.01873	0.5
55.85075	0.2
57.03460	1.1
59.01385	3.3
65.00327	0.4
69.03452	0.4
69.48545	0.7
69.48976	0.8
71.01386	3.7
71.05038	0.3
72.99305	0.3
73.02946	3.0
75.00865	0.3
77.03955	0.2
81.03464	0.7
83.01402	1.1
85.02951	4.3
87.00887	1.0
87.04530	0.2
89.02462	0.9
89.03969	1.4
95.05048	1.1
97.02917	0.3
99.00880	0.4
99.04518	1.2
101.02444	0.8
103.04935	0.2
105.03441	0.5
113.02457	1.0
115.04014	0.4
117.03469	3.3
117.05630	0.2
123.04529	4.5
124.04856	0.2
131.03493	1.8
133.02959	16.7
134.03294	0.7
136.37288	0.2
160.84245	0.3
160.89304	0.5
161.02448	100.0
161.04599	3.0
161.89517	0.2
162.02802	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	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
51.79501	0.2
55.01886	0.2
60.00551	0.2
65.03963	0.5
66.03490	1.2
67.01899	0.5
67.03824	0.2
68.99809	0.6
69.03452	0.8
69.29860	1.0
69.30289	0.9
71.01366	0.3
72.99303	0.5
79.01917	0.2
80.39846	0.2
81.03451	2.6
82.02990	1.2
83.01385	1.0
83.05016	0.3
85.02946	0.4
89.02454	0.7
93.03487	1.0
95.01388	0.8
95.05024	2.1
96.99310	0.5
97.02968	0.6
98.02494	0.3
105.03468	0.3
107.01386	0.4
107.05020	0.8
108.02193	2.7
109.02956	16.2
109.06593	0.9
110.00096	5.5
110.02491	0.6
110.03306	0.7
110.06148	0.2
111.00911	0.6
111.04509	0.3
112.04071	0.2
121.02982	0.4
122.03751	2.7
123.04524	100.0
124.01691	0.3
124.04031	7.0
124.04868	4.4
124.98825	0.8
125.01202	0.4
125.02447	3.1
126.01974	0.3
128.70775	0.2
135.04494	1.0
135.08167	0.2
135.92525	0.2
136.04050	2.6
137.02435	0.7
137.99586	6.4
138.02017	0.3
138.03236	0.6
139.00349	0.8
139.02710	0.3
151.00374	1.0
153.01944	10.3
153.05571	15.5
153.09151	0.5
153.12895	0.4
153.86877	0.6
154.01314	0.4
154.02443	0.6
154.05005	3.2
158.50574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01874	5.3
57.03438	2.1
59.01390	1.2
62.40332	0.9
67.01888	2.2
68.99820	2.7
69.03445	1.7
70.25586	2.9
71.01380	1.1
71.05025	1.0
73.02946	6.6
76.91356	1.0
81.03461	4.1
83.01399	6.2
83.05020	5.3
84.02179	1.5
84.04551	1.3
85.02954	6.9
93.03484	4.8
95.01405	1.7
98.19906	1.1
99.04500	2.3
109.02937	3.9
111.00205	1.0
111.00907	3.7
111.04527	4.1
111.08121	1.8
113.02434	2.5
114.05621	6.9
126.77312	0.9
127.00400	3.4
127.04006	1.2
137.02443	2.7
137.09734	5.4
140.01152	4.4
154.99844	2.6
155.02654	2.9
155.03638	2.4
155.10780	100.0
156.06625	3.6
156.11137	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	152.011
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
55.79776	0.3
57.03457	0.4
59.46380	0.3
64.40265	0.3
65.00320	0.5
66.03491	3.1
67.01915	0.6
68.99816	1.2
69.03460	1.4
71.01387	0.4
71.12798	0.6
71.13161	0.3
72.99296	0.4
78.95925	0.4
79.01886	0.4
79.95765	1.0
80.05077	0.4
80.96515	0.4
81.03468	3.4
83.01396	0.9
83.81866	0.3
85.02956	3.1
89.02474	0.5
95.01393	4.0
96.99310	0.7
97.02944	1.0
107.01347	0.4
107.04992	0.3
108.02181	100.0
108.04559	2.4
109.02975	41.8
109.50700	0.3
110.00103	7.7
110.00835	0.5
110.02469	1.1
113.02425	0.3
122.02486	0.3
122.03728	1.1
122.12289	0.3
123.00902	4.3
123.04558	0.7
123.57867	0.3
124.01729	1.7
124.04041	1.0
124.04897	0.9
124.98796	0.5
125.02465	3.2
125.06132	0.3
135.04533	0.4
136.01685	0.5
137.01105	0.5
137.02011	4.4
137.99590	5.8
138.03220	0.9
151.00374	0.7
152.01158	24.9
152.03397	4.3
152.07202	1.2
153.01950	22.0
153.05569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
54.18964	0.3
54.26598	0.4
57.03449	8.3
63.02399	1.6
65.00326	12.7
65.03954	0.7
67.01887	4.1
68.99818	11.8
71.61919	0.4
71.62281	0.6
78.13989	0.4
79.27396	0.4
81.03461	5.7
82.02988	0.8
83.01390	61.3
84.01732	1.6
85.02951	3.2
85.66395	0.4
95.11913	0.4
107.01395	18.1
108.02222	2.3
108.99358	0.3
109.02957	37.4
109.06577	0.8
110.00094	2.4
110.03294	1.4
111.00904	3.0
123.04556	0.6
124.04008	1.0
125.02451	22.4
126.02777	0.7
135.04500	0.6
136.03961	0.5
137.99588	3.8
151.00374	66.1
152.00720	2.6
152.01802	0.4
153.01941	100.0
153.09198	0.7
153.86879	1.0
154.01335	0.4
154.02324	4.8
154.05045	0.6
169.01456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	xylulose
Peak:m/z	Relative Intensity
55.01864	1.7
59.01379	16.6
69.03455	2.5
71.01387	36.3
71.28828	2.7
72.99329	1.6
73.02947	26.4
75.00877	2.5
76.40907	1.3
85.02963	3.8
87.00876	11.8
89.02444	100.0
90.02792	3.0
103.04003	9.2
131.03493	7.1
149.04558	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.061
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
59.01396	0.9
69.31133	4.0
71.01379	3.0
73.02965	1.2
87.00884	1.9
88.72640	0.4
89.02457	8.7
93.03461	1.9
94.99303	0.8
95.01427	0.5
103.05524	0.5
106.04253	0.7
108.02161	2.7
115.13811	0.5
119.05032	0.7
121.02963	4.7
121.06613	0.9
122.03751	4.6
123.04517	0.6
124.01691	0.9
129.03499	0.8
130.04245	0.8
131.03534	0.7
131.05029	1.1
134.03769	1.7
134.34862	0.5
135.19350	0.4
137.02449	0.9
139.03981	0.5
147.04520	6.4
148.05322	13.3
149.02524	2.2
149.06090	100.0
150.00166	1.2
150.06448	6.0
154.02747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
59.01372	0.8
59.90993	0.3
64.16458	0.3
67.95798	0.3
69.37054	2.6
69.37464	0.9
71.01380	1.5
73.02952	0.8
87.00885	0.4
89.02453	5.0
93.03465	1.2
93.78302	0.4
94.99330	0.5
103.05532	0.7
106.04277	0.5
107.05032	0.5
108.02164	3.5
111.00861	0.6
119.05024	0.9
121.02962	3.6
121.06580	0.5
122.03758	6.5
123.04559	0.5
124.01639	0.8
129.03505	0.6
130.04236	0.9
131.03529	0.4
131.05038	1.4
134.03754	1.1
137.02440	1.1
147.04541	7.2
148.05315	13.0
149.02463	1.4
149.06085	100.0
150.00182	0.6
150.06429	7.0
154.02731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.6
59.25533	7.1
63.96547	8.0
69.00584	7.1
71.01365	40.3
71.41041	17.9
73.02946	17.7
74.93478	7.1
87.00871	12.9
89.02433	100.0
93.03474	7.9
114.64410	7.9
121.02975	41.1
131.03476	8.0
149.02396	24.5
149.04518	24.6
149.06020	20.9
150.00218	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	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
61.25409	0.2
69.03452	0.3
70.94885	0.4
70.95220	0.2
92.02695	0.2
95.01386	1.3
97.02949	0.2
108.02177	6.1
109.02425	0.2
122.03728	0.3
122.80790	0.2
123.00848	0.2
123.04507	0.7
126.48410	0.2
136.01662	100.0
137.02000	4.6
151.04015	7.6
151.05243	0.4
152.04379	0.4
165.81975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0766
Annotation	3-propylbenzene-1,2-diol
Peak:m/z	Relative Intensity
55.01904	0.7
55.13661	0.5
57.03451	0.6
59.01374	2.5
60.27021	0.6
63.02393	1.1
63.96224	1.9
65.00314	2.5
66.03503	3.1
67.01894	1.5
69.03437	0.7
71.01390	3.6
71.63422	1.0
73.02946	0.8
76.97044	1.7
79.95747	1.6
81.03462	1.2
83.01357	0.9
87.00872	1.0
89.02446	2.0
93.03470	2.7
95.01392	2.3
95.05032	1.0
101.02438	2.4
107.01395	1.9
107.05022	9.8
108.02177	6.6
108.04569	1.9
108.05271	0.8
109.02957	4.0
109.06591	1.8
119.95276	0.6
121.02950	1.0
121.06627	0.7
122.03754	5.0
123.00919	2.8
123.04536	21.2
124.01653	0.9
124.04044	0.7
124.04846	1.0
125.06081	11.9
132.99637	1.6
133.06581	0.8
135.04530	5.4
136.00578	0.8
136.01674	52.4
136.05307	64.5
137.02539	3.0
137.05658	3.4
150.03220	1.1
150.06862	2.6
151.00529	1.9
151.04033	27.2
151.07654	100.0
152.01199	0.9
152.03519	5.0
152.04581	1.1
152.08014	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	147.0301
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
53.26540	1.4
55.51151	1.9
57.03435	3.6
58.99582	2.0
59.01386	26.4
68.99815	5.3
71.01387	100.0
71.60999	2.4
72.01703	3.1
72.99290	3.7
75.00865	7.2
83.01377	1.5
85.02946	1.9
87.00877	3.8
89.02435	4.2
89.15594	1.4
99.00891	46.7
100.01214	2.5
101.02474	4.2
103.05945	4.1
129.03850	2.9
132.12651	1.7
147.02968	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	148.0769
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
55.92290	3.3
59.01381	14.9
65.00334	3.4
71.01389	42.6
71.30387	7.7
72.99305	8.0
73.02958	10.6
73.31298	3.6
77.03976	4.4
78.72285	3.1
84.41692	3.5
85.62132	3.1
87.00871	11.8
89.02442	77.9
93.03450	14.0
95.01356	5.5
95.05047	4.2
102.03528	5.8
103.04006	7.2
104.05035	5.7
120.04608	4.5
121.02950	87.1
130.06525	5.2
131.03520	8.4
132.04538	6.5
134.03703	21.0
148.04041	7.8
148.06496	6.0
148.07692	100.0
149.01071	6.5
149.02435	43.2
149.04555	29.5
149.06055	10.7
149.07953	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	149.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98696	1.1
57.94135	1.3
59.01384	11.0
61.80405	1.5
67.99142	1.3
69.03455	4.0
69.89110	1.3
69.89880	6.7
71.01388	38.5
72.99307	2.1
73.02951	30.2
75.00875	5.6
80.57423	1.1
85.02975	1.6
87.00892	14.5
89.02448	100.0
90.02772	2.9
95.27955	1.3
103.04002	8.1
131.03516	5.8
149.04567	36.8
150.04887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
55.01887	2.7
59.01381	27.1
69.03451	5.3
70.08383	1.6
70.09049	7.9
71.01385	39.4
72.99313	3.4
73.02947	30.2
75.00876	3.8
76.82620	2.1
85.02948	5.7
87.00864	9.7
89.02446	100.0
92.69321	2.0
98.94699	1.7
101.02453	2.7
103.04015	5.8
128.45659	1.8
131.03510	13.4
147.59250	1.6
149.04553	45.6
149.17926	1.6
154.64024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
53.01033	4.4
55.01867	5.0
57.03451	13.6
59.01375	17.7
70.63055	5.6
70.63377	9.8
71.01386	30.4
73.02928	10.2
74.02476	10.0
74.80735	5.5
77.39799	3.7
83.01376	12.6
87.00881	32.8
96.85641	5.1
99.00835	6.1
100.04024	5.3
100.07691	5.0
101.02447	40.2
102.00948	5.1
102.05603	39.3
115.00382	21.1
116.03498	6.1
127.00375	14.9
128.03525	13.6
144.96489	100.0
145.01451	13.0
145.07040	7.4
146.02551	6.4
146.04648	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	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23421	5.6
55.63563	6.0
57.03440	10.0
59.01367	12.9
71.01392	30.4
71.61114	7.2
72.99303	8.6
73.02962	13.2
74.02475	21.6
81.67600	5.8
83.01378	13.6
83.68910	6.5
83.92319	6.9
84.04553	6.6
87.00890	18.6
99.00875	7.0
101.02448	45.1
102.05611	91.9
104.03500	7.7
115.00389	29.1
120.97187	6.1
127.00432	10.1
128.03571	42.5
145.04956	100.0
145.07013	29.2
146.04581	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	17.8
57.03455	2.3
59.01388	13.8
59.57977	2.3
68.99805	3.4
69.03486	3.3
70.01394	13.8
71.01379	43.0
72.08221	2.5
72.99313	3.0
80.99818	4.2
83.01405	5.2
85.02940	7.0
87.00884	12.3
87.04527	2.5
96.99299	18.3
97.02953	3.5
98.06092	4.0
98.19884	3.2
99.04526	4.8
99.71505	2.3
100.04084	2.6
101.04395	6.5
112.98818	20.9
113.02448	4.1
115.00352	5.7
115.04012	3.1
124.98809	36.2
125.99121	3.8
126.05609	8.1
140.25299	3.6
140.98293	9.8
142.05083	8.6
142.99864	64.9
143.03516	6.0
144.04652	13.8
144.06664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.99844	0.6
68.23241	0.3
68.87753	0.4
70.39965	0.7
70.40332	0.8
73.05122	0.4
98.35346	0.3
102.03490	1.3
116.05090	0.8
142.05133	0.4
144.04555	100.0
144.06628	3.8
144.96457	1.8
145.04897	7.1
151.28346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0667
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
51.94067	1.3
71.01387	8.1
71.36366	1.9
71.36697	2.1
75.20665	1.4
81.64222	1.5
96.04571	1.7
98.06119	3.1
102.05600	3.1
126.05625	4.2
142.05093	6.2
144.04655	14.7
144.06677	100.0
145.07033	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	139.0038
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
67.01891	100.0
68.99814	43.4
69.03468	4.4
69.40921	3.4
70.67651	6.9
70.68021	7.1
76.98679	9.1
79.95747	32.0
80.63857	3.8
82.85635	3.2
94.98094	37.1
95.01390	33.9
95.02497	5.2
96.04547	10.0
96.64786	3.3
104.17661	3.6
111.00880	18.0
111.04544	3.7
112.00401	3.7
121.02932	4.6
139.00558	17.7
139.03993	13.2
139.05011	3.6
140.03542	4.3
151.15489	3.5
152.02542	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	142.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.9
55.01867	1.8
58.02979	13.6
59.01374	3.5
60.29787	1.0
64.30090	1.1
68.99816	1.6
69.03447	2.8
71.01032	1.5
71.01382	11.6
71.05019	3.1
71.59592	2.2
73.02918	1.4
74.52384	1.0
75.76046	1.1
79.85545	1.2
81.03456	4.3
83.01393	2.4
85.02954	4.5
87.00883	2.7
96.04581	1.3
96.99349	2.0
97.02946	1.6
98.06129	10.1
99.00900	1.6
99.04519	3.8
100.04044	100.0
101.04377	3.7
105.59652	1.1
112.98811	3.5
113.02466	2.0
124.98782	5.9
125.02431	2.5
132.00891	1.1
142.05093	8.0
142.08745	6.6
142.99870	7.8
143.03505	3.7
143.05396	1.3
143.10771	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01887	1.0
61.52069	0.6
63.76202	0.6
63.98409	0.7
67.01881	2.0
68.79605	0.7
68.99837	1.0
70.12238	3.1
83.01408	1.4
93.03451	1.8
94.02986	2.8
94.03822	3.5
95.01409	1.1
97.64619	0.8
100.22588	0.7
108.02181	73.8
109.02505	3.1
110.02519	0.8
111.00880	7.0
123.03276	2.0
127.86862	0.7
136.00438	0.7
138.01973	100.0
138.05592	2.1
139.00412	4.4
139.02316	4.7
139.03998	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.48446	0.5
61.37236	0.3
69.37632	3.7
89.77791	0.3
95.01425	0.6
98.19836	0.8
108.02179	77.2
109.02509	4.2
111.00886	1.0
134.42644	0.4
138.01973	100.0
139.02325	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	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04887	0.5
52.08173	0.6
53.80796	0.7
56.59794	0.6
65.01447	1.3
68.02521	0.9
71.01382	0.8
71.43507	0.8
71.43853	0.9
72.01755	1.2
72.97531	2.0
75.00875	5.3
92.02546	11.4
93.03463	1.6
106.04249	2.2
107.03641	39.6
107.05026	9.6
108.02180	1.3
108.03934	0.9
116.00715	2.4
123.04482	1.1
126.72453	0.6
134.03857	3.6
134.04732	100.0
134.89488	5.7
135.03003	1.1
135.03354	0.8
135.04431	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	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01879	0.4
58.00591	0.5
59.01092	0.6
59.01382	10.0
62.06384	0.3
70.77135	1.2
71.01373	4.3
72.99307	16.7
73.99623	0.4
75.00873	100.0
75.96003	0.4
76.01199	1.8
87.00865	2.1
89.02438	4.7
106.04257	0.6
107.05040	2.8
108.02185	0.4
117.01963	2.5
135.03001	21.5
135.04510	3.3
136.03299	0.7
141.60294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
58.00591	0.5
59.01092	0.6
59.01382	10.0
62.06384	0.3
70.77135	1.2
71.01373	4.3
72.99307	16.7
73.99623	0.4
75.00873	100.0
75.96003	0.4
76.01199	1.8
87.00865	2.1
89.02438	4.7
106.04257	0.6
107.05040	2.8
108.02185	0.4
117.01963	2.5
135.03001	21.5
135.04510	3.3
136.03299	0.7
141.60294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0167
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.58029	1.0
53.04115	0.9
61.65794	1.0
65.03974	1.5
67.01894	1.1
69.03453	1.8
69.38087	7.8
69.38490	1.5
74.99100	1.9
82.34589	0.9
83.01340	1.1
92.05038	1.8
93.03459	100.0
95.01397	8.0
97.02979	1.5
107.05050	1.3
108.02175	55.0
109.02420	2.4
109.03046	2.0
136.01663	56.2
136.03938	1.9
136.04871	2.9
137.02460	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0406
Annotation	salicylamide
Peak:m/z	Relative Intensity
50.35579	0.6
53.45568	0.6
64.01930	2.5
65.00314	0.7
65.03975	3.5
67.01903	1.4
70.64192	1.4
74.97964	0.6
74.99108	4.9
78.95901	0.7
81.03467	2.4
81.48096	0.6
82.13916	0.6
83.01367	1.4
88.49223	0.7
88.71777	0.7
91.01916	0.8
92.05075	4.6
93.03465	100.0
94.03012	1.9
95.01372	1.0
98.20543	0.7
99.92593	0.8
106.04273	5.6
107.05024	2.1
108.02189	12.3
108.04622	1.6
108.05391	1.9
109.02975	8.6
109.04129	0.7
119.01411	0.9
119.05042	6.7
122.03783	1.0
135.89528	3.1
136.01735	9.8
136.04044	69.6
136.04857	4.4
136.86279	1.9
136.89198	10.2
137.02467	55.0
137.04355	2.8
137.06087	19.1
138.03307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.46186	0.3
55.84880	0.3
56.24178	0.3
60.97361	0.3
66.03489	0.8
67.31969	0.3
69.65639	2.2
76.93365	0.3
82.63260	0.3
91.01907	0.9
92.02656	0.4
93.03459	3.4
94.02982	3.1
95.01388	1.0
98.19865	0.6
108.02184	3.2
121.02963	100.0
122.02473	2.4
122.03307	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	129.0195
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
55.01886	1.7
57.03453	9.7
67.01891	16.4
68.99839	2.6
71.01379	2.2
72.99327	1.7
83.01382	1.8
85.02954	100.0
86.03289	4.1
88.04051	6.4
88.27155	2.0
90.82951	1.5
104.33540	1.4
107.65618	1.2
111.00913	1.7
116.39471	1.4
129.01938	7.4
139.88739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01865	20.0
57.03451	74.6
66.55173	7.3
67.01884	96.6
69.43385	15.6
69.43800	38.9
71.01385	11.2
72.99311	10.4
76.14761	6.4
83.01382	12.0
85.02950	100.0
88.04031	11.2
103.08337	8.6
103.56630	7.4
129.01955	31.4
129.05559	10.9
130.05080	13.4
130.08731	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	35.7
67.01888	39.2
68.99843	4.5
70.88928	9.6
71.01363	9.7
74.13792	3.9
85.02949	100.0
88.04037	14.4
101.02442	5.5
119.40123	4.6
128.90170	18.8
129.01926	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	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03437	2.8
59.01378	2.7
64.43499	0.9
70.79995	3.2
71.01405	5.6
71.01743	1.2
73.02954	11.8
85.02953	8.8
87.04539	6.7
88.04046	3.3
105.65073	0.9
113.02464	1.6
123.11221	1.0
130.08742	100.0
131.03516	2.9
131.09074	5.2
142.27763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
50.70528	0.7
57.61655	0.7
57.86963	0.7
59.01375	1.7
70.48109	1.8
71.01387	75.1
72.01723	2.2
72.99313	17.0
87.00894	1.2
89.02438	7.6
99.87891	0.7
115.00381	100.0
116.00708	3.9
133.00418	1.5
133.01439	22.3
135.62341	0.8
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
52.89199	0.9
59.01397	1.3
69.57903	4.9
69.58309	2.1
71.01390	82.9
72.01744	1.7
72.99312	19.8
89.02451	8.8
98.19882	1.9
104.82571	0.9
115.00383	100.0
116.00747	4.1
133.01445	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36837	1.0
56.20692	1.0
59.01381	0.9
60.52277	0.9
69.91769	3.4
69.92179	1.6
71.01387	76.8
72.01747	1.7
72.99311	21.4
87.00864	1.7
89.02448	7.9
95.33707	0.9
115.00379	100.0
116.00732	4.1
133.01436	21.8
134.01762	1.2
154.85359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	0.5
91.01897	0.2
93.03458	0.2
98.19805	0.2
107.01393	1.6
108.02175	0.7
109.02965	0.9
117.03481	0.2
121.02959	1.1
123.00826	0.1
125.02450	0.6
135.00908	0.5
137.02420	0.2
139.03975	0.3
148.01697	0.6
149.02463	0.3
151.00385	7.5
152.00699	0.2
159.04504	0.2
161.02437	0.3
163.00377	1.2
164.01151	0.4
169.01408	0.4
171.04478	0.2
173.02402	0.3
174.51657	0.1
175.00519	0.1
175.04022	0.2
178.99866	3.9
182.03766	0.1
183.04478	0.3
184.77425	0.1
187.04019	0.3
189.01936	0.1
189.86205	0.1
190.02562	0.2
191.00005	0.2
192.00728	0.2
193.01398	0.3
198.03319	0.2
199.03983	0.4
201.01970	0.2
201.05548	0.2
203.03552	0.3
209.00844	0.1
211.03940	0.9
215.03532	0.6
216.04160	0.3
217.04947	0.1
226.02742	1.0
227.03508	2.1
228.04160	0.2
229.01338	0.1
229.05072	0.6
243.02975	7.2
244.03491	0.5
245.04489	0.9
254.02292	1.7
255.02991	17.9
256.03384	0.9
257.04596	0.2
271.02481	38.2
272.02963	2.7
273.03949	0.7
283.02423	1.0
285.03937	0.2
289.07251	0.2
293.04565	1.2
299.02078	0.8
300.02756	64.2
301.03488	27.3
302.03888	1.2
315.14471	0.2
343.04602	0.5
362.61624	0.2
413.08459	0.2
425.08597	0.2
447.09335	1.2
577.15790	1.2
578.15979	0.2
609.14600	100.0
610.14929	9.4
630.04669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09665	2.0
55.01870	7.6
59.01382	74.1
60.01713	2.1
69.30651	8.4
69.31082	8.1
71.01384	100.0
72.01702	4.2
72.99314	10.9
73.02950	7.4
75.03365	5.1
77.48840	1.9
83.01376	5.2
89.02455	5.7
93.03452	2.3
95.60871	1.8
97.71930	1.8
101.02456	3.3
118.92657	2.2
119.03531	3.7
119.05031	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	119.0351
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
53.09665	2.0
55.01870	7.6
59.01382	74.1
60.01713	2.1
69.30651	8.4
69.31082	8.1
71.01384	100.0
72.01702	4.2
72.99314	10.9
73.02950	7.4
75.03365	5.1
77.48840	1.9
83.01376	5.2
89.02455	5.7
93.03452	2.3
95.60871	1.8
97.71930	1.8
101.02456	3.3
118.92657	2.2
119.03531	3.7
119.05031	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	1155.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	2.0
83.01386	5.3
89.03992	0.7
91.01891	0.6
93.03452	2.4
95.01405	1.2
95.05025	1.9
97.02953	4.3
99.04490	0.3
105.03474	0.6
107.05030	2.1
108.02148	1.4
109.02956	23.1
110.03303	0.5
117.03461	1.2
119.05023	0.5
119.06612	0.3
120.02215	0.4
121.02953	3.9
121.06683	0.3
122.03724	1.1
123.00865	0.3
123.04531	17.1
124.01653	0.5
124.04855	0.4
125.02448	100.0
126.02786	2.6
126.98982	0.3
130.04254	0.5
131.05045	1.3
132.02147	0.7
133.02959	6.6
135.00952	0.4
135.04533	2.6
136.01657	0.4
137.02448	25.1
138.03154	0.8
139.04004	3.8
143.05011	0.8
145.02957	1.3
145.06593	0.5
146.03700	1.6
147.04515	1.7
149.02446	7.5
149.06090	0.7
150.03264	1.3
151.04005	16.2
152.04373	0.5
157.06625	0.6
158.03725	0.6
159.04527	4.9
159.08189	0.3
160.05280	1.3
161.02448	33.0
161.06065	5.9
162.03156	3.4
163.00371	2.5
163.04021	3.9
164.01141	5.9
165.01917	5.2
166.02608	0.4
167.03520	2.1
167.04822	0.4
167.71300	0.3
171.04498	0.5
173.02409	0.5
173.06079	1.4
174.03221	1.2
175.04005	14.7
175.07530	1.8
176.01147	0.5
176.04367	0.7
177.01936	7.8
177.05475	1.8
178.02644	0.9
179.03508	6.5
183.04547	1.0
184.05272	0.6
185.06053	1.6
187.04007	10.7
187.07578	0.4
188.04788	4.2
189.01955	0.7
189.05629	1.7
190.02718	0.4
191.03455	0.8
193.05058	1.0
196.05286	0.3
199.03981	1.6
199.07619	1.0
200.04604	0.7
201.01953	0.6
201.05574	2.8
202.02721	0.3
202.06348	2.6
203.03653	2.2
203.07137	14.2
204.04077	0.5
204.07472	0.4
205.01414	3.1
205.05058	9.6
206.05412	0.4
207.02812	0.3
209.06078	0.6
211.04007	2.0
212.04778	1.4
213.01974	0.5
213.05582	2.6
214.02637	1.5
215.03467	2.4
215.07011	0.5
216.04085	0.4
217.05078	2.6
217.08672	0.7
219.02942	1.0
219.06612	0.8
221.08206	2.2
225.05576	1.5
227.03476	3.2
227.07086	2.4
228.04326	2.2
229.05066	5.3
229.08606	0.6
230.05801	1.5
231.03009	2.0
231.06607	1.2
237.05760	0.4
241.05072	0.7
242.02342	0.4
243.02980	5.6
243.06612	1.2
244.03508	1.0
245.04538	8.0
245.08185	18.6
246.04816	0.5
246.08586	1.0
247.06062	2.3
253.04990	1.7
254.05794	0.5
255.02969	15.2
255.06805	0.6
256.03738	8.6
257.04535	3.4
257.07217	0.3
257.08240	0.3
259.06036	0.8
265.04932	0.3
268.03870	0.3
269.04538	3.5
270.04926	0.3
271.06189	1.3
273.04062	6.4
280.03876	0.5
281.04541	7.0
282.01675	1.2
282.04718	0.5
283.02487	3.6
283.05737	0.4
284.03067	1.1
285.04047	5.8
286.04523	0.6
287.05609	14.4
288.02667	1.1
288.05954	1.3
289.07181	64.8
290.07458	2.9
297.04028	2.2
297.07693	1.4
298.04672	0.5
299.05615	6.6
315.08627	0.7
321.07681	0.6
329.06693	1.2
331.08121	0.8
339.08737	6.9
340.08994	0.4
341.06668	0.7
357.09613	0.7
363.08783	0.8
381.09836	2.5
382.09918	0.3
389.06546	1.4
407.07703	81.8
408.08078	6.6
409.09140	0.4
425.08780	87.5
426.09183	5.8
433.09473	0.3
449.08533	0.6
450.08875	0.4
451.10336	21.1
452.10715	1.7
467.09705	0.6
533.14722	0.8
559.12488	3.9
560.12769	0.3
577.13501	70.1
578.13776	8.1
579.14368	0.3
853.08038	0.4
1131.00513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03477	1.6
81.46299	0.4
83.01389	5.6
89.03986	0.6
91.01907	0.7
93.03456	2.3
95.01398	1.2
95.05044	1.4
97.02965	2.5
98.19820	0.8
105.03455	1.3
107.05045	1.5
108.02185	1.8
109.02969	18.9
111.24123	0.4
117.03459	1.6
119.01412	0.5
119.04990	0.7
120.02171	0.5
121.02959	7.0
122.03732	1.1
123.00910	0.6
123.04528	9.1
124.01673	0.9
125.02448	100.0
126.02804	2.1
130.04335	0.4
131.04999	0.9
132.02200	1.5
133.02963	8.8
135.00902	1.1
135.04539	3.4
137.02446	19.0
139.04048	2.3
143.05031	1.0
145.02939	2.7
145.06558	0.8
146.03717	1.5
147.00890	1.9
147.04538	3.8
147.13219	0.4
148.01663	1.5
149.02443	19.7
149.06181	0.6
150.03142	1.1
151.04016	8.8
153.01895	0.6
155.05052	1.0
157.02956	0.7
157.06618	0.5
158.03760	0.6
159.04503	5.2
160.01643	1.6
160.05296	0.8
161.02444	44.1
161.06055	2.9
162.03165	3.7
163.00368	16.9
163.02798	0.5
163.04001	4.7
164.01164	7.4
165.01924	6.5
165.05630	0.5
166.02281	0.5
167.03471	1.8
167.04895	0.5
169.06630	0.7
170.03687	0.5
171.04469	2.5
172.05286	0.6
173.02443	1.9
173.06050	2.0
174.03227	2.8
175.04004	20.1
175.07651	1.1
176.01151	3.2
176.04443	0.5
177.01933	14.4
177.03499	0.8
177.05446	2.1
178.02411	0.7
179.03481	3.6
181.06606	0.6
182.03754	0.5
183.04520	1.8
185.02391	0.8
185.06081	3.0
186.03255	0.6
187.04007	7.3
188.04774	2.5
189.01907	3.5
189.05573	4.6
190.02661	0.9
191.03464	2.3
193.05061	0.8
195.04510	0.9
196.05225	0.8
197.06099	1.4
198.03241	1.3
199.04008	11.1
200.04616	1.2
201.01929	5.6
201.05565	3.8
202.02657	1.2
202.06282	0.9
202.99843	1.3
203.03471	4.5
203.07138	6.9
204.00757	0.5
205.01447	2.3
205.05057	4.8
209.06059	0.6
210.06720	0.5
211.03990	4.6
212.04788	1.8
213.02203	0.5
213.05533	4.0
214.02638	2.2
215.03487	6.3
215.07094	0.6
216.04187	0.9
217.01456	1.3
217.05052	10.0
219.02968	3.3
219.06593	1.0
221.08160	1.1
223.04048	0.7
223.07744	0.5
224.04790	0.8
225.05591	2.8
226.02715	0.6
227.03499	5.1
227.07169	1.4
228.04228	2.0
229.01390	0.8
229.05051	5.5
230.05748	0.8
231.02965	1.9
231.06601	1.1
232.03717	0.5
237.05536	1.0
238.06497	0.5
239.03493	1.7
239.07138	0.7
240.04324	2.7
241.05042	9.0
242.02255	2.2
242.05533	0.4
243.02975	28.5
243.06644	1.5
244.03702	2.2
245.04532	10.8
245.08192	9.5
246.01593	0.7
246.04776	0.6
247.06082	0.9
249.05609	0.8
251.03532	1.0
251.07274	0.6
251.10294	0.4
252.04323	0.6
253.05087	2.3
255.02968	16.6
255.06834	0.9
256.03748	5.1
257.04517	8.5
259.02539	0.8
261.03922	1.4
263.07352	0.5
264.04211	0.8
265.05099	1.8
267.02963	6.4
267.06302	0.8
268.03659	2.1
269.04431	6.0
270.01892	0.5
270.05188	0.5
271.02451	1.7
271.05887	0.9
272.03192	1.3
273.03992	2.5
277.05103	0.9
279.02969	1.7
279.06528	0.7
280.03790	1.0
281.04498	4.2
282.01700	2.3
282.05103	0.7
283.02475	5.9
283.06061	3.1
284.03180	2.2
285.04044	51.3
286.04498	3.2
287.05594	28.7
288.02768	1.4
288.05988	1.8
289.07184	34.4
290.07556	2.2
291.06689	0.9
293.04443	3.1
294.05121	0.6
295.02460	2.5
295.06064	1.1
296.03232	1.6
297.03955	2.3
297.07504	0.8
298.04626	0.7
299.05600	12.0
301.03525	1.4
301.06799	0.7
305.04608	1.5
305.07993	0.5
306.05383	0.8
307.06073	7.6
308.03305	0.7
309.04108	4.5
309.07596	0.7
311.05560	1.7
317.04617	1.3
319.06039	1.1
321.04117	0.9
321.07562	0.8
323.05615	1.2
324.02661	0.8
325.03506	2.9
325.07059	0.9
327.01657	0.5
327.04907	2.1
329.06671	0.9
331.05832	1.0
333.03976	1.3
333.07727	0.8
334.04810	0.6
335.05579	2.4
337.03522	1.3
337.07141	0.8
339.05035	0.6
339.08765	1.7
341.06702	1.3
345.03967	0.7
346.04831	0.7
347.05554	1.8
349.07288	2.3
351.04987	0.6
357.07944	0.6
359.05753	1.9
361.03522	3.3
361.07419	0.8
363.04861	1.1
365.06522	0.6
367.08401	0.8
373.03406	1.3
374.04135	1.1
375.05075	4.5
376.05746	0.5
377.06641	1.4
381.09784	1.4
383.07599	0.6
385.07217	0.8
387.05127	2.1
388.06158	0.8
389.06708	1.2
391.04504	0.7
393.06265	1.7
401.06689	1.5
403.04495	6.0
404.04892	0.5
405.06128	3.5
407.07709	24.8
408.08020	1.8
411.07187	88.4
412.07532	7.5
413.07599	0.5
415.04385	1.0
416.05414	0.8
417.06122	1.4
419.08154	0.9
421.05573	2.7
423.07278	1.0
425.08838	11.2
426.09027	1.0
429.06070	1.3
433.05188	0.5
435.07169	1.6
437.08850	2.8
443.07776	0.7
447.07248	7.8
448.07788	0.8
449.02686	0.8
449.08820	10.5
450.05576	0.6
451.10529	20.6
452.10962	1.9
453.08298	2.8
461.09055	1.9
463.06281	0.9
467.08630	1.0
493.05493	0.7
497.07959	0.5
499.10477	0.5
503.09863	1.7
505.05670	0.6
519.07751	0.6
523.06873	0.8
523.54626	0.4
525.08197	1.8
529.07709	16.3
530.08008	1.3
531.09375	4.8
532.09595	0.5
537.08057	1.3
541.07538	3.5
542.08075	1.0
547.08868	9.7
548.09723	1.3
555.09277	2.3
559.08423	3.2
561.10059	0.5
567.09338	1.5
569.10999	2.1
571.08978	0.7
573.10364	50.4
574.10675	6.1
575.12219	0.6
577.13538	12.6
578.13983	1.1
585.10205	1.0
587.11957	5.0
589.10516	0.5
615.11304	1.2
616.12286	0.7
649.09949	0.9
667.11475	1.2
677.09045	0.8
681.12299	1.3
691.11005	11.0
692.11572	1.7
693.12622	6.8
694.12402	1.2
695.13855	1.1
699.13440	11.8
700.13953	1.5
709.11884	7.4
710.11346	0.9
711.13483	13.8
712.13721	2.6
721.12268	0.9
735.13538	5.7
736.14270	1.4
737.15247	0.7
738.12543	0.6
739.16431	5.3
740.16376	1.1
753.13843	0.7
811.12750	1.3
812.13550	0.5
819.15753	1.1
829.14056	8.4
830.13959	1.4
843.16504	0.7
845.17365	0.7
847.15063	2.5
848.15326	0.9
855.15863	1.6
856.15338	0.9
861.16791	11.2
862.17035	2.2
863.18231	22.1
864.18719	4.7
873.16943	1.3
905.19312	1.2
963.17950	0.9
981.18713	27.6
982.19147	7.3
999.19904	6.9
1000.19885	1.8
1025.21704	2.8
1026.21960	0.8
1133.22986	0.7
1151.24561	9.8
1152.25159	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	1151.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03477	1.6
81.46299	0.4
83.01389	5.6
89.03986	0.6
91.01907	0.7
93.03456	2.3
95.01398	1.2
95.05044	1.4
97.02965	2.5
98.19820	0.8
105.03455	1.3
107.05045	1.5
108.02185	1.8
109.02969	18.9
111.24123	0.4
117.03459	1.6
119.01412	0.5
119.04990	0.7
120.02171	0.5
121.02959	7.0
122.03732	1.1
123.00910	0.6
123.04528	9.1
124.01673	0.9
125.02448	100.0
126.02804	2.1
130.04335	0.4
131.04999	0.9
132.02200	1.5
133.02963	8.8
135.00902	1.1
135.04539	3.4
137.02446	19.0
139.04048	2.3
143.05031	1.0
145.02939	2.7
145.06558	0.8
146.03717	1.5
147.00890	1.9
147.04538	3.8
147.13219	0.4
148.01663	1.5
149.02443	19.7
149.06181	0.6
150.03142	1.1
151.04016	8.8
153.01895	0.6
155.05052	1.0
157.02956	0.7
157.06618	0.5
158.03760	0.6
159.04503	5.2
160.01643	1.6
160.05296	0.8
161.02444	44.1
161.06055	2.9
162.03165	3.7
163.00368	16.9
163.02798	0.5
163.04001	4.7
164.01164	7.4
165.01924	6.5
165.05630	0.5
166.02281	0.5
167.03471	1.8
167.04895	0.5
169.06630	0.7
170.03687	0.5
171.04469	2.5
172.05286	0.6
173.02443	1.9
173.06050	2.0
174.03227	2.8
175.04004	20.1
175.07651	1.1
176.01151	3.2
176.04443	0.5
177.01933	14.4
177.03499	0.8
177.05446	2.1
178.02411	0.7
179.03481	3.6
181.06606	0.6
182.03754	0.5
183.04520	1.8
185.02391	0.8
185.06081	3.0
186.03255	0.6
187.04007	7.3
188.04774	2.5
189.01907	3.5
189.05573	4.6
190.02661	0.9
191.03464	2.3
193.05061	0.8
195.04510	0.9
196.05225	0.8
197.06099	1.4
198.03241	1.3
199.04008	11.1
200.04616	1.2
201.01929	5.6
201.05565	3.8
202.02657	1.2
202.06282	0.9
202.99843	1.3
203.03471	4.5
203.07138	6.9
204.00757	0.5
205.01447	2.3
205.05057	4.8
209.06059	0.6
210.06720	0.5
211.03990	4.6
212.04788	1.8
213.02203	0.5
213.05533	4.0
214.02638	2.2
215.03487	6.3
215.07094	0.6
216.04187	0.9
217.01456	1.3
217.05052	10.0
219.02968	3.3
219.06593	1.0
221.08160	1.1
223.04048	0.7
223.07744	0.5
224.04790	0.8
225.05591	2.8
226.02715	0.6
227.03499	5.1
227.07169	1.4
228.04228	2.0
229.01390	0.8
229.05051	5.5
230.05748	0.8
231.02965	1.9
231.06601	1.1
232.03717	0.5
237.05536	1.0
238.06497	0.5
239.03493	1.7
239.07138	0.7
240.04324	2.7
241.05042	9.0
242.02255	2.2
242.05533	0.4
243.02975	28.5
243.06644	1.5
244.03702	2.2
245.04532	10.8
245.08192	9.5
246.01593	0.7
246.04776	0.6
247.06082	0.9
249.05609	0.8
251.03532	1.0
251.07274	0.6
251.10294	0.4
252.04323	0.6
253.05087	2.3
255.02968	16.6
255.06834	0.9
256.03748	5.1
257.04517	8.5
259.02539	0.8
261.03922	1.4
263.07352	0.5
264.04211	0.8
265.05099	1.8
267.02963	6.4
267.06302	0.8
268.03659	2.1
269.04431	6.0
270.01892	0.5
270.05188	0.5
271.02451	1.7
271.05887	0.9
272.03192	1.3
273.03992	2.5
277.05103	0.9
279.02969	1.7
279.06528	0.7
280.03790	1.0
281.04498	4.2
282.01700	2.3
282.05103	0.7
283.02475	5.9
283.06061	3.1
284.03180	2.2
285.04044	51.3
286.04498	3.2
287.05594	28.7
288.02768	1.4
288.05988	1.8
289.07184	34.4
290.07556	2.2
291.06689	0.9
293.04443	3.1
294.05121	0.6
295.02460	2.5
295.06064	1.1
296.03232	1.6
297.03955	2.3
297.07504	0.8
298.04626	0.7
299.05600	12.0
301.03525	1.4
301.06799	0.7
305.04608	1.5
305.07993	0.5
306.05383	0.8
307.06073	7.6
308.03305	0.7
309.04108	4.5
309.07596	0.7
311.05560	1.7
317.04617	1.3
319.06039	1.1
321.04117	0.9
321.07562	0.8
323.05615	1.2
324.02661	0.8
325.03506	2.9
325.07059	0.9
327.01657	0.5
327.04907	2.1
329.06671	0.9
331.05832	1.0
333.03976	1.3
333.07727	0.8
334.04810	0.6
335.05579	2.4
337.03522	1.3
337.07141	0.8
339.05035	0.6
339.08765	1.7
341.06702	1.3
345.03967	0.7
346.04831	0.7
347.05554	1.8
349.07288	2.3
351.04987	0.6
357.07944	0.6
359.05753	1.9
361.03522	3.3
361.07419	0.8
363.04861	1.1
365.06522	0.6
367.08401	0.8
373.03406	1.3
374.04135	1.1
375.05075	4.5
376.05746	0.5
377.06641	1.4
381.09784	1.4
383.07599	0.6
385.07217	0.8
387.05127	2.1
388.06158	0.8
389.06708	1.2
391.04504	0.7
393.06265	1.7
401.06689	1.5
403.04495	6.0
404.04892	0.5
405.06128	3.5
407.07709	24.8
408.08020	1.8
411.07187	88.4
412.07532	7.5
413.07599	0.5
415.04385	1.0
416.05414	0.8
417.06122	1.4
419.08154	0.9
421.05573	2.7
423.07278	1.0
425.08838	11.2
426.09027	1.0
429.06070	1.3
433.05188	0.5
435.07169	1.6
437.08850	2.8
443.07776	0.7
447.07248	7.8
448.07788	0.8
449.02686	0.8
449.08820	10.5
450.05576	0.6
451.10529	20.6
452.10962	1.9
453.08298	2.8
461.09055	1.9
463.06281	0.9
467.08630	1.0
493.05493	0.7
497.07959	0.5
499.10477	0.5
503.09863	1.7
505.05670	0.6
519.07751	0.6
523.06873	0.8
523.54626	0.4
525.08197	1.8
529.07709	16.3
530.08008	1.3
531.09375	4.8
532.09595	0.5
537.08057	1.3
541.07538	3.5
542.08075	1.0
547.08868	9.7
548.09723	1.3
555.09277	2.3
559.08423	3.2
561.10059	0.5
567.09338	1.5
569.10999	2.1
571.08978	0.7
573.10364	50.4
574.10675	6.1
575.12219	0.6
577.13538	12.6
578.13983	1.1
585.10205	1.0
587.11957	5.0
589.10516	0.5
615.11304	1.2
616.12286	0.7
649.09949	0.9
667.11475	1.2
677.09045	0.8
681.12299	1.3
691.11005	11.0
692.11572	1.7
693.12622	6.8
694.12402	1.2
695.13855	1.1
699.13440	11.8
700.13953	1.5
709.11884	7.4
710.11346	0.9
711.13483	13.8
712.13721	2.6
721.12268	0.9
735.13538	5.7
736.14270	1.4
737.15247	0.7
738.12543	0.6
739.16431	5.3
740.16376	1.1
753.13843	0.7
811.12750	1.3
812.13550	0.5
819.15753	1.1
829.14056	8.4
830.13959	1.4
843.16504	0.7
845.17365	0.7
847.15063	2.5
848.15326	0.9
855.15863	1.6
856.15338	0.9
861.16791	11.2
862.17035	2.2
863.18231	22.1
864.18719	4.7
873.16943	1.3
905.19312	1.2
963.17950	0.9
981.18713	27.6
982.19147	7.3
999.19904	6.9
1000.19885	1.8
1025.21704	2.8
1026.21960	0.8
1133.22986	0.7
1151.24561	9.8
1152.25159	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30661	2.0
55.01872	2.8
60.68773	2.1
65.58409	1.9
67.01894	45.3
70.01313	9.6
70.02996	1.9
78.95908	100.0
83.01387	8.0
85.02954	2.4
85.75479	2.7
110.97591	4.4
110.98505	3.7
111.00886	77.5
112.01228	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01870	2.7
60.79125	1.9
65.39257	2.1
67.01891	67.4
78.95905	80.5
79.05418	1.7
79.95747	5.3
83.01391	6.1
110.97581	12.0
110.98506	3.1
111.00884	100.0
112.01246	6.4
115.72308	1.9
123.25188	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	1125.405
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.5
105.07150	0.2
107.01401	0.8
109.02950	0.3
124.01659	0.2
125.02442	1.0
133.02931	0.3
135.00893	0.2
136.51947	0.2
137.02409	0.5
145.02965	0.3
148.01697	0.2
151.00378	2.6
153.01981	0.3
161.02449	0.3
162.03172	0.2
163.00421	0.7
165.01936	0.2
167.03575	0.2
169.01538	0.2
169.02998	0.3
171.04514	0.4
175.03926	0.3
177.01865	0.3
183.04520	0.7
187.04053	0.4
189.01982	0.2
192.00621	0.3
199.03998	2.4
201.01955	0.5
202.02754	0.2
203.03488	0.3
204.04227	0.3
215.03503	1.4
225.02054	0.2
226.02666	0.4
227.03532	2.9
228.03918	0.4
229.01268	0.2
242.02167	2.8
243.02972	15.8
244.03450	1.3
254.02252	0.5
255.02994	8.0
256.03479	0.8
257.04575	2.8
258.04990	0.2
259.06122	0.4
270.01682	2.5
271.02484	25.3
272.03049	2.6
279.03528	0.2
284.03308	0.2
285.04037	5.0
286.04794	1.3
287.05624	1.1
299.01984	20.3
300.02737	19.3
301.03094	1.4
313.03610	0.4
314.04337	25.9
315.05096	49.5
316.05490	2.8
357.06107	0.4
416.04938	0.2
427.52246	0.2
447.09378	0.2
598.03241	0.2
623.16162	100.0
624.16510	10.6
624.26978	0.4
996.81653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
71.01389	100.0
71.36471	2.2
71.36811	1.8
72.01720	2.9
74.72378	1.6
75.07718	1.5
115.00378	8.5
115.05956	2.1
116.37122	1.6
125.00281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
80.90732	0.4
81.03462	1.5
82.09074	0.4
83.01388	4.5
85.02981	0.5
85.42786	0.4
89.03971	0.8
90.32077	0.5
93.03467	2.5
95.01382	1.5
95.05029	1.3
96.49440	0.4
97.02958	2.5
105.03441	0.5
107.01384	0.7
107.05048	1.6
108.02170	1.7
109.02959	16.5
117.03439	1.6
119.05002	0.7
121.02945	5.6
121.06647	0.4
122.03764	0.8
123.00860	0.9
123.04539	7.1
125.02448	63.8
126.02804	1.2
130.04283	0.6
131.05008	1.1
131.54521	0.4
132.02153	1.1
133.02963	7.0
135.00880	1.6
135.04575	2.5
137.02446	19.4
139.04066	2.3
143.05006	0.9
145.02931	1.1
145.06590	0.6
145.76678	0.5
146.03770	1.1
147.00868	1.8
147.04527	3.4
148.01634	0.5
149.02451	16.8
150.02997	0.5
151.00346	0.9
151.04025	7.8
155.04991	0.8
158.03783	1.1
159.04546	5.1
160.01683	2.0
160.05322	0.6
161.02440	32.3
161.06076	3.0
162.03128	2.2
163.00369	13.8
163.04050	3.0
164.01172	6.1
165.01955	4.4
165.05562	0.7
167.03526	1.1
167.04861	0.6
171.04517	2.2
173.02423	1.6
173.06071	1.6
174.03227	2.7
175.04004	14.6
175.07677	1.0
176.01154	2.3
176.04477	0.8
177.01930	9.9
177.05565	1.3
178.02318	0.5
178.37807	0.5
179.03543	3.1
183.04501	1.3
185.06084	1.6
187.03990	5.6
188.04776	2.3
189.02025	2.4
189.05586	3.2
190.02863	0.9
191.03526	1.9
195.04552	1.2
196.05235	0.5
197.06114	1.2
198.03181	1.3
199.03996	8.8
200.04610	0.7
201.01917	4.4
201.05614	1.7
202.06374	1.0
202.99818	1.3
203.03474	2.3
203.07150	7.2
204.00545	0.5
205.01428	2.3
205.05002	4.6
209.06174	0.8
211.03951	4.1
212.04703	1.0
213.05664	3.5
214.02692	1.4
215.03528	3.9
215.07097	0.7
215.17001	0.5
216.04237	1.1
217.01674	1.1
217.05037	8.9
217.08347	0.6
219.02968	1.5
219.06644	0.6
221.08194	0.7
223.03986	0.6
223.07626	0.6
224.04689	1.1
225.05644	1.7
227.03506	3.9
227.07141	2.0
228.04248	1.0
229.05029	4.0
231.03027	1.6
231.06544	0.7
237.05554	0.7
239.03539	1.8
239.07053	0.8
240.04251	1.6
241.05035	6.4
242.02174	1.0
243.02968	20.2
243.06656	1.2
244.03510	1.4
245.04529	8.3
245.08154	8.3
246.01566	0.7
247.06189	0.9
249.05479	0.6
251.03433	0.7
253.05072	2.0
255.02965	11.6
256.03662	4.4
257.04526	7.8
258.05164	0.6
261.04086	1.4
263.03592	0.6
265.04990	1.2
266.02277	0.7
267.02972	3.6
267.06332	0.8
268.03671	1.4
269.02020	0.6
269.04510	3.9
271.02420	1.6
271.06177	1.0
272.03214	1.4
273.04044	1.6
277.05170	1.1
279.02988	2.0
279.06363	0.5
280.03775	0.6
281.04645	3.7
282.01871	1.0
282.04672	0.5
283.02469	5.4
283.06110	2.9
284.03174	2.4
285.04044	46.3
286.04465	1.7
287.05594	9.2
288.02817	1.3
289.07184	35.2
290.07443	1.7
291.06543	1.0
293.04572	2.0
293.07883	0.5
294.05191	0.7
294.65833	0.6
295.02420	1.7
295.05920	0.8
296.03058	1.3
297.04117	1.9
297.07523	1.1
299.05591	16.3
301.03503	1.3
303.06491	0.6
305.04630	1.7
306.05347	0.6
307.06073	6.8
309.04102	3.5
311.05447	0.8
317.04343	1.0
319.06149	1.2
321.03937	0.9
321.07462	0.7
324.02792	1.1
325.03476	1.7
325.07034	0.9
331.06061	1.4
333.03937	0.8
335.05615	1.9
337.03537	0.8
339.08536	1.3
341.06845	1.0
343.06015	0.7
345.03989	1.0
346.04724	1.1
347.05539	1.2
348.06235	0.7
349.07254	2.0
351.05179	0.8
353.03802	0.5
357.07870	0.6
358.04779	0.5
359.05499	0.9
361.03528	1.5
361.07407	1.0
363.05054	1.7
373.03491	1.4
374.04199	0.9
375.05014	4.7
377.06631	0.7
387.04846	2.8
389.06683	1.4
391.04501	1.6
393.06113	1.5
401.06711	0.9
403.04608	1.6
405.06061	3.9
407.07617	12.4
411.07196	100.0
412.07568	6.8
415.04364	1.0
416.05167	0.6
423.06906	0.9
425.08423	1.9
433.05551	0.7
437.08792	1.0
445.05698	0.5
447.07285	4.6
449.08508	0.8
450.05853	0.7
451.10498	32.4
452.10913	2.9
453.08337	1.9
461.08401	1.3
463.06442	0.7
467.08545	0.7
497.08530	0.7
503.09799	1.1
515.09442	0.6
523.06836	1.1
525.08191	1.8
529.07697	4.0
531.09387	18.2
532.09540	2.7
537.08203	1.3
541.07446	4.3
542.08337	0.8
543.09265	0.9
547.08685	9.7
548.09155	1.1
555.09247	1.8
559.08661	9.9
560.09259	1.4
565.08679	0.7
567.09027	2.2
573.10364	61.2
574.10797	7.0
577.13574	1.9
585.10193	0.9
615.11664	1.0
649.10138	1.0
657.10321	0.8
665.12756	1.1
667.11456	1.5
677.09052	1.4
691.10840	5.7
692.11292	1.1
693.12457	13.6
694.13129	1.5
699.13287	3.2
709.11926	9.1
710.13165	0.9
711.13489	36.4
712.14020	6.1
735.13324	4.1
736.13873	0.8
737.14471	1.2
753.15094	2.0
803.15948	0.7
819.16418	0.8
829.14221	11.2
830.14423	1.9
845.15796	1.1
847.15143	2.0
855.15826	1.0
856.17212	0.6
861.16937	2.9
863.18256	33.0
864.18549	5.5
873.17181	2.1
905.19220	0.6
981.18829	15.2
982.19470	3.6
999.19525	4.0
1000.19550	1.0
1025.20569	2.3
1151.24414	2.7
1152.24500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
82.84054	0.3
83.01376	0.4
83.60008	0.3
91.26166	0.2
107.01377	0.7
108.02155	0.3
133.03033	0.3
145.02939	0.4
148.01637	0.3
151.00375	2.2
163.00412	0.4
165.01894	0.3
174.03293	0.3
175.03984	0.4
178.99742	0.3
183.04475	0.9
187.03990	0.5
199.03993	2.3
203.03513	0.3
204.04201	0.3
211.03949	0.5
215.03517	1.3
226.02751	0.4
227.03488	8.4
228.03943	0.7
229.05205	0.4
242.02190	2.0
243.02968	14.3
244.03638	1.2
254.02130	0.7
255.02983	16.4
256.03531	1.3
257.04568	2.2
259.06143	0.6
270.01639	2.2
271.02469	25.5
272.03024	2.5
284.03250	7.7
285.04010	6.7
286.04694	0.9
287.05603	1.0
289.07361	0.3
299.01971	22.8
300.02734	22.3
301.03098	1.1
314.04318	25.0
315.05081	52.7
316.05496	2.8
357.06128	0.8
447.09268	9.4
448.09647	0.6
623.16144	100.0
624.16504	10.8
1014.35974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.6031
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	79.3
95.79945	0.2
96.96970	6.2
107.63200	0.2
123.00749	0.2
123.21067	0.2
132.20195	0.2
150.98051	1.7
152.99597	100.0
153.99989	1.1
171.00656	2.2
173.02531	0.2
244.92931	0.2
277.21707	1.2
304.91489	0.2
397.13278	0.2
409.71695	0.2
431.22040	63.4
432.22342	4.6
756.26923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42635	1.2
59.01382	27.7
65.39607	1.2
69.73303	5.5
69.73724	3.0
72.99310	87.7
73.99657	1.3
75.00878	30.8
87.21564	1.3
98.20621	1.8
105.01938	100.0
106.02299	3.4
124.85332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.3
101.94420	0.2
107.01407	1.3
108.02183	0.8
108.06367	0.3
109.02969	0.7
113.00170	0.2
115.72938	0.2
119.01353	0.2
121.02949	0.7
124.01642	0.3
125.02415	0.3
129.42671	0.2
135.00859	0.5
145.02942	0.3
148.01657	1.3
149.02356	0.3
151.00391	5.5
163.00409	1.7
164.01103	0.5
171.04474	0.4
178.99907	2.5
183.04605	0.3
185.02512	0.2
190.99818	0.3
192.00652	0.3
199.03995	1.5
203.03514	0.5
204.04305	0.3
211.03883	0.5
215.03490	0.8
216.04208	0.5
226.02821	1.1
227.03531	2.9
229.01064	0.3
229.05087	0.4
242.02238	0.7
243.02985	12.9
244.03488	0.9
245.04546	0.5
254.02281	1.5
255.02994	22.1
256.03415	1.2
257.04581	0.8
270.01672	0.8
271.02493	53.2
272.03036	4.4
273.03973	0.4
283.02481	0.6
285.04044	1.6
286.04562	0.5
287.05679	0.4
299.02008	10.7
300.02765	100.0
301.03448	19.7
302.03882	1.1
314.00613	0.4
314.04349	9.9
315.05096	21.9
316.05585	1.4
357.05975	0.2
433.07776	90.5
434.08139	7.2
599.36267	0.3
599.97589	0.2
618.54059	0.2
623.16193	49.1
624.16418	5.3
928.15717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.2
83.01400	1.0
85.02951	0.3
87.00887	0.2
89.02463	0.8
95.01382	0.3
97.02931	0.2
101.02447	0.9
107.01409	0.5
108.02204	0.3
109.02963	0.4
113.02475	0.5
119.03501	0.3
121.02953	0.3
123.04527	0.3
125.02465	2.5
137.02452	3.4
139.04059	0.2
147.04524	0.2
149.02402	0.4
151.00395	2.2
152.01096	0.2
153.01958	0.5
159.04515	0.2
161.02478	0.4
163.00447	0.2
164.01158	0.2
165.01935	1.8
167.03470	1.0
169.01445	0.2
170.94476	0.2
171.04546	0.4
173.06090	0.3
175.03992	0.4
178.99876	0.5
179.03568	0.3
181.05113	0.2
182.03717	0.2
183.04582	0.3
185.02510	0.2
185.06023	0.4
187.04021	0.4
187.07642	0.2
188.04761	0.3
189.01880	0.2
192.24174	0.1
197.02501	0.3
197.06104	0.3
199.02347	0.2
199.04016	2.4
200.04626	0.4
201.01973	0.9
201.05644	0.4
203.03566	0.4
204.04321	0.5
205.04996	0.3
209.06029	0.2
211.04060	0.2
212.75761	0.1
213.05588	0.5
214.02541	0.2
214.06223	0.3
215.03589	2.2
215.07103	3.5
216.07401	0.2
217.05046	0.6
225.01987	0.3
225.05537	0.3
226.02737	0.5
227.03525	3.2
227.07060	0.2
228.04242	0.2
229.01466	0.3
237.05550	0.4
241.05136	1.1
241.99744	0.3
242.02208	5.1
243.02986	26.0
243.06575	4.6
244.03423	1.3
245.04501	0.2
253.04910	0.2
255.03014	1.5
255.06593	0.4
257.04562	7.6
258.05106	0.4
261.07675	0.2
265.05087	0.2
270.01709	6.8
271.02493	26.6
272.02838	1.6
281.07968	0.2
283.05984	0.4
284.03403	0.2
285.04065	14.5
286.04764	4.4
287.05453	0.2
299.01996	7.7
300.02731	4.9
301.03357	0.8
305.08115	0.3
314.04340	47.4
315.04990	10.5
316.05417	0.4
319.09735	0.3
323.09286	0.4
329.06918	0.2
342.03781	0.2
347.09198	0.7
357.06076	1.1
391.08273	0.6
409.09186	1.7
423.13068	0.6
445.11319	0.3
447.09433	1.2
449.10608	0.2
451.12546	1.5
452.13113	0.2
457.78101	0.2
463.12289	0.3
477.10400	100.0
478.10773	7.9
478.15924	0.2
478.17752	0.3
485.14316	0.2
503.15833	0.3
527.15784	0.4
545.16681	0.4
571.14545	1.9
589.15656	24.2
590.16071	2.6
619.23663	0.2
1067.33691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.9
100.62575	0.3
101.02454	0.4
107.01381	1.5
108.02180	1.0
109.02946	0.8
113.02478	0.3
121.02982	1.2
125.02457	1.1
132.57437	0.3
135.00905	0.5
137.02348	0.7
148.01665	1.1
148.53574	0.3
151.00377	7.5
152.01089	0.4
163.00377	1.4
163.04012	0.3
164.01204	0.7
165.01927	0.5
169.01385	0.5
173.42613	0.3
178.99860	4.1
181.05125	0.5
199.03923	0.4
211.03949	0.4
215.03444	0.4
217.53714	0.3
226.02707	1.3
227.03517	2.0
243.02983	7.9
245.04510	0.7
254.02200	1.7
255.02989	15.7
255.05736	0.8
256.03439	1.0
271.02478	40.8
272.03027	2.5
273.04016	0.7
283.02365	0.7
299.01962	1.4
300.02765	72.2
301.03494	29.4
302.03931	1.6
311.05270	0.5
317.03079	1.4
406.16562	0.5
421.18552	1.0
431.09775	0.5
463.08835	100.0
464.09183	7.0
549.65906	0.3
583.24017	6.0
584.23779	0.4
791.81030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
52.14244	1.4
59.01385	27.6
69.42727	8.1
69.43143	4.0
72.99312	89.1
73.99630	1.9
75.00456	1.7
75.00875	28.0
78.79152	1.4
89.70129	1.3
97.77297	1.4
105.01939	100.0
106.02290	3.1
107.75444	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	1045.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	2.7
83.01395	4.4
93.03484	2.5
93.29581	1.2
95.01385	2.0
95.05023	2.7
97.02964	3.9
109.02962	23.8
121.02929	3.8
123.04521	16.8
125.02451	40.7
133.02950	2.2
135.04518	3.9
137.02457	15.8
139.03995	4.2
145.02957	3.3
146.03673	1.3
149.02469	8.5
150.03156	1.3
151.04005	14.5
159.04492	7.9
160.01686	2.4
161.02457	14.6
161.06062	5.3
162.03102	1.7
163.00400	2.2
163.03947	7.9
164.01154	4.7
165.01923	5.6
166.02380	1.3
167.03459	3.6
173.06113	3.4
175.04013	14.2
177.01945	7.9
179.03487	4.2
183.04486	6.1
185.02452	6.0
185.06067	3.2
187.04001	12.0
188.04770	3.2
189.01900	2.0
189.05588	1.9
197.06111	2.8
199.04033	3.9
201.05597	8.9
203.03436	5.1
203.07141	7.3
205.05009	8.8
211.04010	2.8
213.05592	4.2
215.03572	2.3
217.05000	2.8
221.08130	1.8
225.05583	14.7
227.03513	4.4
227.07091	1.7
228.04323	2.2
229.05038	8.7
231.03049	3.0
231.06602	2.8
241.05069	4.5
243.02898	3.7
243.06546	2.9
245.04553	20.4
245.08212	10.9
247.06345	1.5
253.04964	2.8
255.03000	14.7
256.03696	7.0
257.04453	4.6
267.03021	2.3
269.04544	71.2
270.04959	4.5
271.05945	3.1
273.04132	7.2
281.04596	10.7
282.05182	2.2
283.02408	2.8
285.04047	5.7
287.05637	2.4
289.07181	59.1
290.07550	5.3
297.03986	2.0
305.06677	3.4
311.05438	1.8
339.08807	7.0
381.09818	3.1
407.07727	80.3
408.08105	7.4
419.07672	2.7
425.08777	43.8
426.08990	5.6
433.09283	11.8
449.10925	24.9
451.10376	3.5
461.11002	2.2
493.13632	2.1
515.13385	1.8
541.11285	3.7
559.12433	12.9
577.13312	3.2
587.14069	12.6
588.14667	1.6
613.15472	9.2
671.32489	1.4
739.18842	100.0
740.18958	14.8
800.17950	1.5
802.29926	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	1041.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
77.54324	0.6
81.03461	1.6
81.87875	0.6
83.01381	4.3
92.77110	0.7
93.03473	1.6
95.01406	0.8
95.05032	1.5
97.02962	3.6
101.70836	0.6
107.01418	1.4
107.05010	0.7
108.02190	1.7
109.02956	16.8
121.02957	3.7
122.03709	0.9
123.04527	9.6
125.02450	100.0
126.02781	1.9
133.02962	3.0
135.04544	2.5
137.02444	23.4
138.02740	0.8
139.04031	1.9
146.03677	0.7
147.04561	1.1
148.01706	1.3
149.02461	2.9
150.03296	0.9
150.44563	0.7
151.00378	10.1
151.04001	10.3
159.04494	3.1
160.05371	1.1
161.01083	1.2
161.02441	24.4
161.06010	3.7
162.03123	2.1
163.00349	3.9
163.04018	4.0
164.01152	4.7
165.01901	4.7
167.03571	1.2
173.06136	1.0
174.03130	0.8
175.03986	6.8
175.07623	1.2
177.01930	4.2
178.99852	4.7
179.03487	3.6
179.78555	0.6
185.02390	0.8
185.06129	1.4
187.03958	6.9
188.04814	3.4
189.05557	1.2
199.04013	1.1
201.05594	1.4
202.06314	0.8
203.03441	1.4
203.07169	10.1
205.01372	1.4
205.05011	6.0
211.04109	1.7
212.04793	0.7
213.05678	1.5
215.03519	2.0
217.05058	1.6
217.08656	0.8
219.03105	0.8
219.06586	0.9
221.08229	1.4
225.05505	1.1
226.02748	1.5
227.03441	2.9
227.07053	1.5
228.04279	1.4
229.05048	2.9
230.05701	0.8
231.03011	1.1
243.02975	9.6
243.06747	1.2
244.03613	1.0
245.04501	5.4
245.08180	13.9
253.05048	0.9
254.02325	1.5
255.02969	24.5
255.05717	1.2
256.03534	3.8
257.04541	1.5
269.04581	1.0
271.02478	49.4
272.02896	3.2
273.04013	6.6
274.04529	0.7
281.04523	3.5
283.02496	3.0
285.04034	3.2
287.05585	14.7
289.07181	69.0
290.07532	3.8
297.04068	1.2
299.02051	2.0
299.05624	5.7
300.02747	79.0
301.03494	27.8
302.03845	1.5
329.06778	1.1
331.08099	0.8
339.08881	4.1
378.78235	0.8
378.93042	0.6
381.09842	1.1
389.06708	0.8
407.07724	49.5
408.08014	4.0
409.09586	0.7
425.08780	67.8
426.09012	5.8
451.10318	18.5
452.10806	1.6
463.08832	67.6
464.09097	4.9
509.85593	0.7
559.12396	1.8
572.85095	0.7
577.13501	48.5
578.13763	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	1039.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.5
91.01867	0.3
93.03470	0.3
94.82867	0.3
97.02959	0.3
98.13989	0.2
107.01376	2.0
108.02177	1.1
109.02950	1.9
111.00912	0.4
121.02959	1.9
123.04524	0.6
125.02447	2.9
135.00870	0.7
137.02431	1.0
147.00894	0.4
148.01685	0.8
149.02431	0.5
151.00377	7.9
151.03975	0.3
153.01939	0.4
157.69652	0.3
159.04546	0.3
161.02437	1.2
163.00351	2.4
163.04047	0.3
164.01164	0.7
165.01903	0.8
167.03589	0.4
169.01407	0.9
173.02348	0.4
175.04005	0.9
176.01091	0.3
177.01927	0.7
178.99869	4.1
183.04506	0.3
187.03943	0.4
189.05449	0.3
190.02711	0.2
190.99879	0.2
198.03209	0.3
199.04005	0.8
201.05539	0.5
203.03528	0.5
205.05034	0.5
211.04005	0.9
213.05473	0.4
215.03519	0.5
216.04251	0.6
217.01091	0.3
217.04988	0.5
226.02695	0.8
227.03467	2.4
229.05135	0.3
240.04211	0.3
241.05196	0.4
243.02950	7.0
244.03462	0.6
245.04517	1.2
248.49364	0.2
254.02199	1.6
255.02977	18.1
256.03326	1.2
257.04608	0.5
261.22110	0.3
271.02466	38.8
272.02914	2.6
273.04047	0.8
283.02499	0.9
285.04034	2.4
287.05508	0.5
289.07153	1.4
299.01981	0.8
300.02744	69.9
301.03488	33.4
302.03882	1.8
405.05914	0.3
407.07507	0.5
408.36200	0.3
423.07086	1.9
449.08704	1.0
463.08801	100.0
464.09122	9.3
539.09546	0.7
551.21063	0.3
575.11829	3.9
576.12042	0.6
989.75317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95923	32.7
85.25370	30.9
87.91038	30.0
98.20620	33.5
116.92889	100.0
133.07399	31.2
151.00357	27.8
253.12987	30.2
293.21353	40.1
294.21634	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63241	2.9
71.63680	3.2
85.02931	3.1
96.96045	3.5
117.03452	16.8
119.05014	15.3
121.02945	3.6
145.02953	60.8
151.00427	4.7
161.15988	2.9
163.03987	16.5
187.04041	11.6
227.03563	18.5
229.05061	12.4
255.02983	25.2
257.04504	6.7
273.07574	3.4
283.02469	4.2
284.03299	22.5
285.00842	5.2
285.04062	97.2
286.04398	5.8
415.14365	3.2
437.12225	25.5
573.82703	3.5
577.13251	4.7
723.17206	100.0
724.17316	21.0
861.40747	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	1037.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
82.47607	0.2
83.01395	0.7
89.02448	0.2
93.03455	0.3
93.07189	0.2
95.01354	0.2
107.01396	2.7
108.02162	0.6
109.02954	1.7
119.01419	0.2
121.02966	2.2
124.01638	0.2
125.02441	0.8
135.00887	0.6
137.02443	0.5
139.04045	0.3
148.01657	0.8
149.02434	0.5
151.00377	10.6
152.00748	0.2
159.04538	0.4
161.02473	0.3
163.00386	2.4
164.01065	0.4
165.01921	0.5
167.03531	0.2
167.05008	0.3
169.01456	0.6
173.06070	0.3
175.04082	0.3
178.98386	0.4
178.99864	5.0
183.04518	0.6
185.06110	0.3
187.03972	0.3
190.99916	0.2
192.00620	0.2
199.04012	0.5
201.05562	0.6
203.03450	0.4
211.03877	1.0
215.03503	0.8
215.07091	0.5
216.04335	0.5
226.02719	0.7
227.03514	2.1
227.40788	0.2
228.04256	0.3
229.05064	0.9
233.79694	0.2
239.03476	0.3
241.05022	0.2
243.02982	5.6
243.06607	0.4
244.03421	0.3
245.04379	1.2
254.02235	1.3
255.02989	16.8
256.03598	0.9
257.04477	0.2
266.02304	0.3
271.02481	31.7
272.02963	2.3
273.04022	1.1
283.02484	1.6
284.03171	0.7
299.01999	0.9
300.02753	60.9
301.03513	45.0
301.07147	0.5
302.03806	2.1
314.04102	0.2
447.09332	100.0
448.09644	7.5
477.10278	0.4
589.15576	2.8
668.52905	0.2
1036.14014	0.2
1037.23303	0.3
1069.95398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.7
81.03468	2.0
83.01389	5.8
89.03954	0.7
93.03457	1.6
95.01405	0.8
95.05029	1.7
97.02966	2.0
100.51744	0.6
107.05036	1.6
108.02183	2.3
109.02958	17.6
110.21297	0.8
112.25361	0.7
117.03486	1.5
119.05042	1.0
121.02956	3.1
122.03735	1.5
123.04527	12.5
124.01666	1.9
125.02448	100.0
126.02781	2.7
131.05048	2.6
132.02200	1.7
133.02979	8.0
135.04529	4.6
137.02446	12.1
139.04053	1.7
143.05019	1.3
145.02959	2.5
146.03773	1.5
147.04550	2.7
149.02451	6.2
149.05998	0.7
150.03218	1.7
151.04008	14.2
151.23259	0.7
155.05051	1.1
157.02911	0.7
159.04514	9.2
160.01678	7.8
161.02446	42.4
161.06067	3.9
162.03160	2.8
162.58391	0.8
163.00394	3.2
163.04004	7.3
164.01147	5.7
165.01918	5.6
167.03526	1.8
169.06480	1.3
171.04500	0.9
173.02501	1.1
173.06050	3.7
174.03241	3.2
175.04002	21.8
175.05492	1.5
177.01935	18.8
177.05588	2.9
178.02338	1.0
179.03491	2.0
182.03696	0.9
183.04523	6.1
185.02431	4.9
185.06091	1.9
186.03119	0.9
187.03993	6.7
188.04654	1.0
189.01929	4.0
189.05537	1.4
190.02591	0.8
191.03535	1.5
193.05110	0.9
197.06096	3.0
198.03397	0.7
199.03998	8.7
199.07559	0.7
200.04736	1.5
201.01953	2.9
201.05579	8.3
202.06206	1.2
203.03513	5.2
203.07121	6.8
204.04063	1.0
205.05016	4.5
207.04527	0.9
211.03996	2.7
212.04781	1.0
213.05640	3.3
214.02708	1.6
214.30544	0.7
215.03540	2.5
216.04292	1.0
217.05034	9.6
219.02975	8.2
221.08205	1.2
223.04024	0.9
224.04982	1.1
225.05539	12.7
227.03497	5.3
227.07222	1.2
228.04184	1.6
229.05016	4.0
231.02991	3.8
231.06488	1.3
235.04071	0.8
239.03438	1.4
239.07158	1.5
240.04205	1.0
241.05040	5.8
242.02266	1.1
242.05746	1.1
243.02962	20.9
243.06662	2.7
244.03452	1.9
245.04533	21.0
245.08165	4.9
246.04935	1.0
247.06058	1.2
251.03430	1.6
253.05000	3.8
254.05722	1.5
255.02977	8.3
255.05556	0.9
255.06441	0.7
256.03726	2.9
257.04471	3.9
261.03955	6.2
264.04239	0.9
265.05215	0.8
267.02890	1.8
267.06570	1.3
268.03720	0.9
269.04541	45.0
270.04996	3.2
271.02731	0.9
271.06177	2.0
273.04050	2.4
277.05194	1.1
279.03058	1.4
279.06677	1.0
281.04544	8.4
282.01630	1.0
282.05280	1.3
283.02890	0.7
283.06216	1.6
285.04059	4.4
286.04840	4.7
287.05597	17.2
288.06015	1.1
289.07196	22.3
293.04620	1.8
295.02576	1.4
295.05933	1.5
297.04004	1.6
299.05557	1.1
303.06134	0.9
307.06082	1.0
309.04028	2.4
309.07440	0.9
311.05634	1.9
319.06131	2.7
323.07825	3.6
337.07068	1.6
339.08731	2.1
341.06656	2.1
345.07648	1.1
347.05685	1.1
351.08957	0.8
353.06815	0.7
359.05762	1.2
361.07010	4.9
363.04977	1.9
365.06461	1.2
369.09909	1.7
375.05090	1.4
381.06265	1.9
381.10413	1.1
387.05078	10.8
388.05148	1.0
389.06473	1.5
395.07968	1.0
404.05252	1.0
405.05899	3.7
406.06830	0.8
407.07684	27.3
408.08209	2.0
413.08743	11.2
414.09061	1.4
419.07843	2.1
423.07135	0.9
425.08792	10.2
431.07800	6.4
433.09357	7.2
433.14938	0.9
433.16855	0.7
437.08484	1.0
449.10867	28.8
450.10822	2.8
451.10574	2.4
461.11032	1.3
475.10239	1.1
484.51804	0.7
493.13364	1.9
525.08325	2.8
533.11462	3.2
541.11609	2.3
543.09406	2.9
557.10944	6.8
559.12744	4.4
561.10248	1.5
567.11462	8.8
568.12598	1.1
569.11298	2.1
575.11963	3.1
577.13672	1.5
585.12451	14.2
586.12170	1.6
587.13239	4.3
611.14105	12.5
612.14502	1.6
613.15448	4.2
631.78491	0.9
659.12402	2.3
677.13263	6.1
695.14288	3.1
713.15259	2.5
721.15894	1.4
737.17175	21.7
738.17767	3.4
739.18719	21.7
740.19263	2.2
749.17090	1.2
847.18719	1.0
857.19360	11.9
858.20422	2.2
875.20996	3.4
901.21436	6.0
908.54626	0.9
998.53864	0.7
1027.25317	6.0
1028.26477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.9
85.02942	0.8
89.81584	0.5
90.66215	0.6
93.03428	0.7
95.01379	0.5
98.19939	0.6
107.01392	2.1
108.02147	0.8
109.02953	2.1
121.02965	1.0
125.02453	1.5
135.00906	1.6
137.02460	0.9
143.05045	0.7
148.01649	1.1
151.00362	7.0
159.04536	0.8
161.02437	0.8
163.00381	2.6
164.01106	0.8
165.01877	0.8
167.03397	0.6
174.03160	0.6
178.99875	4.0
181.70465	0.7
183.04587	0.6
185.06087	1.7
187.04025	1.7
189.05452	0.9
199.03891	1.0
201.05461	0.6
211.04010	2.1
213.05559	1.1
226.02797	0.7
227.03494	15.1
228.04092	0.6
229.05022	6.1
239.03505	1.5
240.04344	0.8
241.05034	1.3
243.02972	6.7
245.04495	0.7
254.02113	1.2
255.02988	42.8
256.03488	3.2
257.04593	3.0
271.02487	32.3
271.04932	0.3
272.02960	2.8
273.04089	0.6
283.02386	1.2
284.03271	37.8
285.04041	49.3
286.04346	3.5
299.02048	0.8
300.02756	56.2
301.03503	30.0
302.03870	1.7
327.05362	0.6
342.13214	0.8
359.15173	1.0
409.57819	0.6
433.07758	57.7
434.08054	5.0
491.19312	2.4
521.20001	0.6
593.15137	100.0
594.15533	11.9
647.89331	0.6
986.23944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	1.2
81.03471	2.0
83.01383	6.3
83.04989	0.8
89.03958	1.5
93.03448	2.9
95.01384	1.5
95.05006	1.6
97.02959	2.7
107.05022	3.4
108.02190	2.1
109.02965	21.2
110.03312	0.9
117.03485	1.6
121.02957	4.2
122.03719	1.1
123.00871	1.0
123.04540	12.5
125.02454	100.0
126.02794	2.7
127.72598	0.8
131.05048	2.8
132.02180	1.0
133.02982	9.0
135.04546	5.2
137.02451	22.1
138.03114	1.0
139.03990	3.7
145.02945	1.8
145.06607	1.6
146.03706	1.8
147.04495	1.7
149.02441	7.8
149.06041	2.4
150.03183	1.5
151.04022	22.5
155.05014	2.2
157.02914	1.1
158.03648	1.1
159.04518	10.0
160.01649	3.8
160.05219	1.0
161.02452	44.3
161.06111	4.5
162.03137	3.4
163.00322	5.8
163.04016	7.2
164.01166	9.0
165.01953	7.4
167.03484	2.1
169.06604	1.0
171.04488	1.6
173.02412	2.5
173.06108	4.1
174.03146	1.7
175.04008	38.9
175.07635	1.3
176.04398	2.6
177.01942	20.1
177.05536	3.1
179.03493	5.3
183.04541	5.0
185.02426	5.4
185.06125	1.9
186.03232	1.1
187.04002	10.3
188.04727	3.1
189.01910	4.6
189.05539	1.4
190.02640	1.6
191.03448	2.3
193.05054	2.0
196.05214	1.3
197.06075	3.2
198.03261	1.3
199.04005	13.9
199.07576	1.2
200.04691	1.6
201.01920	3.0
201.05586	8.2
202.06259	1.5
203.03502	5.7
203.07159	8.3
205.01436	2.2
205.05038	8.0
211.03954	2.1
212.04764	1.0
213.02130	1.0
213.05594	3.7
214.02716	2.3
215.03491	2.3
215.07089	1.0
216.04236	1.0
217.05048	19.9
219.02985	7.4
221.08206	1.1
224.04810	1.0
225.05574	16.4
226.02652	1.0
227.03519	7.0
227.07120	1.5
228.04132	1.4
229.05058	8.2
231.02992	3.1
231.06474	1.1
239.07036	1.0
241.04999	5.4
242.01874	0.9
243.02983	49.5
243.06691	2.5
244.03453	2.4
245.04536	27.7
245.08188	11.0
246.04945	1.7
247.06001	1.1
251.03542	1.7
253.05086	2.3
255.02994	16.7
256.03647	3.5
257.04593	5.1
261.04019	16.2
265.05197	1.3
267.02917	1.4
268.03748	0.9
269.04550	70.6
270.05017	4.1
270.26697	1.1
271.02704	1.3
271.05988	1.7
273.04004	5.5
281.04449	5.0
282.01608	2.6
283.02551	5.2
283.05591	1.1
284.03101	1.5
285.04141	5.3
286.04895	1.7
287.05621	37.0
288.05844	1.6
289.07199	37.1
290.07495	2.0
293.04474	2.9
295.05811	1.6
297.04050	2.0
299.05597	6.7
305.04538	1.2
309.04230	1.7
309.07654	3.2
311.05576	2.4
323.08011	1.4
339.08707	3.2
341.06595	1.9
347.05392	1.2
351.08743	1.8
363.05170	2.8
377.06613	1.7
379.08310	1.2
381.09915	1.9
383.07562	1.5
387.05002	2.1
389.06412	1.5
391.04510	1.6
395.07678	5.6
405.06210	13.4
406.06610	1.4
407.07700	26.9
408.07974	1.8
423.07193	11.4
425.08813	16.8
426.09711	1.1
431.07608	4.4
433.09418	1.4
449.10922	19.8
450.11194	1.1
451.10272	12.5
491.12186	2.5
525.08087	4.7
543.09460	6.0
551.10156	1.3
557.10956	3.4
559.12146	2.1
560.29755	0.9
561.10803	1.5
569.11859	1.8
575.14093	19.6
576.14160	2.2
577.13464	25.3
578.13605	2.5
588.12842	1.0
597.12488	1.8
611.13885	6.5
612.14966	1.0
614.12897	1.1
615.13507	1.1
631.84955	1.1
635.41431	1.0
677.13373	2.5
695.14185	22.9
696.14935	3.2
705.15039	2.5
713.15417	2.9
721.15314	1.6
731.16669	1.4
737.04077	1.5
737.17236	28.5
738.17621	5.2
749.17188	4.1
779.89795	0.9
781.19763	2.9
847.19000	1.1
857.19641	2.5
875.21094	5.9
876.20398	2.2
901.22437	4.7
902.23224	1.3
1027.25037	7.6
1028.26025	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	1014.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18331	100.0
74.11013	58.4
83.86817	62.2
116.92846	73.2
135.27255	68.8
140.28178	61.1
225.56313	72.8
317.44260	77.8
358.09119	67.6
648.03180	65.9
898.94849	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	1025.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14402	1.8
71.58627	0.9
81.03464	2.0
83.01392	15.5
89.02412	1.1
93.03477	4.3
95.05013	1.1
95.25347	1.0
105.03488	1.1
108.02148	1.5
109.02961	15.2
117.03488	1.5
121.02947	5.9
121.06564	0.9
122.03783	1.2
123.04533	8.3
125.02455	96.3
126.02834	2.4
133.02951	5.8
135.00897	1.1
135.04536	2.0
137.02455	100.0
138.02805	2.6
139.04106	1.1
143.05060	1.2
145.02998	5.0
147.00900	2.4
147.04504	2.2
148.01643	1.4
149.02438	22.6
149.03587	1.5
150.03293	5.0
151.00348	0.9
151.04030	19.7
152.04337	0.9
159.04654	4.3
160.01671	1.8
161.02448	31.9
161.06091	3.0
162.03183	1.2
163.00386	17.8
163.01662	1.6
163.04031	4.4
164.01102	5.7
165.01950	6.3
165.05608	1.1
166.02701	1.7
167.03503	1.3
171.04535	2.6
173.02478	1.4
173.05988	1.5
174.03186	3.1
175.04005	15.2
176.01180	3.3
176.84145	0.9
177.01923	13.2
183.04547	2.1
185.06076	3.6
187.03996	4.6
188.04889	1.2
189.01962	2.6
189.05539	2.3
199.04027	7.3
201.01944	3.6
201.05621	3.6
202.02701	1.5
202.99852	0.9
203.03500	3.4
203.07164	3.1
205.05055	2.2
207.29178	0.8
211.04059	3.6
213.05534	2.6
214.02701	1.3
215.03473	4.4
216.04219	1.0
217.01663	0.9
217.05067	8.3
219.03026	2.2
225.05638	1.3
227.03560	3.0
227.07149	1.5
228.04309	1.1
229.05087	5.2
231.03070	1.5
231.06764	1.0
240.04237	1.5
241.05136	5.7
242.02322	1.3
243.02991	17.3
243.06766	1.1
244.03596	1.1
245.04559	5.3
245.08188	2.1
251.03490	1.2
253.05095	2.5
255.03021	10.8
256.03717	3.1
257.04608	6.5
257.06924	0.9
258.04977	1.1
267.03119	2.9
268.03711	1.9
269.04492	4.1
271.02722	1.8
271.06146	7.5
272.03271	1.3
273.04068	1.3
279.03033	2.0
279.06287	1.0
281.04535	2.7
282.01920	1.0
283.02448	5.4
283.06110	2.7
284.03149	1.8
285.04059	40.8
286.04526	3.0
287.05554	10.8
288.02814	2.6
289.07239	4.9
293.04529	1.1
295.02460	2.3
297.04160	1.6
299.05621	13.7
301.03244	1.2
307.06003	5.6
309.04019	3.5
310.04886	1.1
313.09494	1.3
317.04617	1.2
323.05493	1.2
349.07156	2.2
375.05246	2.1
387.04681	1.3
389.06674	3.1
403.04456	1.5
405.06192	3.1
407.07742	2.4
411.07214	94.6
412.07382	5.7
433.09485	1.8
447.07169	5.2
448.08224	1.1
451.12473	57.0
452.12799	3.6
461.08746	2.1
529.07623	2.7
531.09308	5.6
541.07666	5.6
547.09021	1.1
559.08740	11.0
560.09448	1.3
569.12830	4.6
573.10413	25.6
574.10864	2.7
587.14117	2.8
613.15643	51.1
614.15704	6.2
693.12781	1.0
711.13544	4.2
739.18689	1.6
855.17590	16.2
856.18292	2.1
873.18652	24.9
874.19299	4.5
899.20685	1.1
1025.23767	13.1
1026.23999	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	1000.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
102.80672	68.6
105.16853	48.0
116.56264	57.6
229.50307	100.0
342.54651	67.6
556.15558	56.3
943.69763	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
51.88267	2.1
55.01885	56.9
57.03444	6.5
58.00592	9.0
59.01384	72.5
62.68180	1.8
70.07996	6.9
71.01389	43.5
72.99303	4.3
73.02531	5.0
73.02953	100.0
74.03297	3.0
76.37556	2.2
83.01401	10.4
84.95135	2.6
91.11749	2.0
100.94622	98.0
100.95274	3.4
101.02446	39.1
102.02750	2.3
102.05635	6.9
115.92104	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	1011.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	1.7
80.02720	1.6
81.03455	4.1
83.01404	7.7
89.77860	1.4
93.03492	3.7
95.01385	3.0
95.05022	5.3
97.02964	13.3
98.19807	2.7
99.04507	1.8
109.02958	32.0
121.02983	7.3
123.00957	1.7
123.04531	22.3
125.02448	33.1
133.03024	2.1
135.04503	4.4
137.02452	34.7
138.03198	4.5
139.04082	8.4
145.02994	3.1
146.03741	3.6
147.04524	2.3
149.02466	11.5
150.03212	1.7
151.04013	12.9
152.99614	3.1
158.03740	2.3
159.04485	8.4
160.05199	3.4
161.02440	6.6
161.06070	11.3
162.03174	3.1
163.00381	4.1
163.03989	3.6
164.01167	9.2
165.01917	11.5
166.02690	6.0
167.03481	3.6
173.06102	2.7
174.03209	2.3
175.03952	8.4
175.07634	3.4
176.01123	2.6
177.01907	5.9
177.05603	2.1
179.03456	11.1
185.06113	1.7
187.03966	9.9
188.04742	6.2
189.01855	2.0
189.05470	1.5
191.03391	1.4
193.05066	1.7
199.03954	1.6
199.07674	1.7
202.06415	3.4
203.03656	1.7
203.07137	23.0
205.05023	13.2
207.10178	1.6
213.21585	1.6
217.05112	3.0
217.08528	1.8
221.08112	4.2
223.13358	4.1
227.07051	2.1
231.03052	2.9
241.05031	1.8
245.08176	26.6
246.08542	1.5
247.06157	2.7
277.21735	6.4
285.04056	8.2
289.07211	93.8
290.07465	6.1
293.21295	3.5
300.02441	1.9
303.05115	7.8
309.20712	2.7
699.11987	1.9
762.33929	1.8
805.43066	2.0
859.44733	4.4
860.07306	1.7
967.47162	2.3
993.48126	10.4
1011.49603	100.0
1012.50171	22.0
1038.07227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	2.7
69.06709	1.6
69.07073	14.1
70.06558	1.7
71.56110	1.5
73.02903	1.4
73.18776	1.5
79.05064	2.4
79.05499	37.7
81.03391	2.1
81.07062	31.0
83.04962	1.8
83.08605	6.0
85.02905	8.6
85.06541	3.0
88.63623	1.5
91.03942	4.6
91.05481	36.0
93.06473	2.3
93.07045	37.4
93.92695	1.3
95.04945	5.4
95.08604	28.0
97.02863	4.9
97.06544	2.8
97.10158	4.6
103.05406	1.6
105.07034	40.6
107.04948	2.6
107.08601	19.8
109.06561	2.0
109.10164	9.9
115.05467	3.2
117.07023	22.7
119.08585	28.2
121.06496	1.7
121.10151	14.6
123.08118	1.8
123.11687	4.7
125.09606	2.7
127.03874	2.9
128.06207	5.3
129.06992	14.6
130.07776	2.5
131.08582	23.3
133.10161	18.4
135.11716	9.3
141.07001	3.9
142.07736	4.7
143.08574	17.5
145.04951	3.7
145.10126	24.6
147.11688	14.5
149.13263	4.2
151.07082	1.4
153.06996	2.1
155.08528	12.2
157.10104	17.4
159.11711	18.0
161.13257	9.1
163.06021	3.0
163.14761	2.9
167.08530	4.3
169.10097	10.1
170.10809	2.1
171.11688	14.1
173.13300	8.4
175.11205	2.2
175.14774	4.1
181.10120	6.1
183.11659	12.0
185.13197	8.8
187.14857	3.8
189.16431	1.9
195.11725	7.3
197.13255	8.0
199.14844	5.4
201.16405	2.4
209.13248	6.4
211.14812	5.2
213.16441	3.0
214.41740	1.2
222.31000	1.5
223.14749	4.2
225.16402	1.6
233.13368	1.6
237.16254	3.7
239.17970	3.2
241.19585	2.3
253.19632	2.0
257.18936	5.2
259.20627	5.4
262.05252	1.6
313.78226	1.4
331.22736	1.5
333.24228	4.3
335.25998	1.7
377.28046	1.6
391.29929	2.0
409.30869	1.7
421.30597	1.8
499.39212	2.6
501.35684	2.8
515.37640	1.7
517.40765	7.9
535.41125	6.4
539.37097	2.8
591.43665	11.2
609.45123	100.0
610.45166	5.4
620.09058	1.7
735.47467	2.1
771.49768	6.2
990.93286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88073	3.4
69.07072	21.0
69.65256	22.8
71.04995	4.7
73.02906	6.0
73.54478	3.1
79.05070	5.7
79.05502	87.6
81.07063	95.5
83.05015	4.3
83.08605	9.2
85.02904	25.5
85.06518	4.7
86.78452	3.5
91.03979	17.2
91.05490	81.9
93.07049	88.8
95.04964	12.7
95.08617	72.6
97.06541	6.6
98.20878	7.4
98.21478	6.8
99.04462	3.7
105.02506	3.8
105.07034	72.9
107.08605	46.5
109.10169	20.1
111.08093	4.0
115.06112	4.7
117.07036	26.0
119.08601	58.3
121.10151	43.1
123.08104	6.0
123.11717	7.2
128.06206	6.5
129.07018	12.5
131.08594	42.7
133.10130	49.2
135.11703	26.7
138.90623	3.5
143.08549	17.6
145.10109	30.0
147.11703	40.8
149.13269	14.8
157.10164	10.1
159.11746	26.8
161.13274	27.8
163.06041	9.6
163.11253	3.9
163.14827	4.2
169.09911	4.3
171.11688	15.1
173.13326	19.3
175.14790	12.7
183.11700	4.5
185.13196	10.1
187.14769	5.2
197.13330	4.8
199.14851	7.7
211.14934	5.0
231.21072	6.9
241.19527	18.1
257.18958	8.4
259.20630	58.1
261.22137	12.4
275.20056	4.5
333.24222	56.3
335.22006	7.2
335.25842	100.0
337.27271	6.2
367.22705	4.8
425.62589	4.1
469.57996	4.1
518.69061	3.9
519.41718	5.7
593.45477	17.1
611.46759	90.0
701.47266	4.3
719.47650	4.9
737.49225	4.7
755.50458	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	970.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	3.8
69.07077	15.5
69.92724	5.0
71.04991	4.4
73.02923	3.6
77.03967	1.0
78.04737	1.1
78.26150	1.0
79.05495	55.6
79.05962	2.7
81.03416	2.7
81.07059	72.1
83.04992	2.6
83.08615	10.7
83.61966	1.0
85.02907	14.0
85.06538	4.2
91.03972	6.6
91.05484	43.8
93.07046	57.5
95.04986	6.0
95.08607	51.1
97.02898	7.6
97.06538	4.5
97.10172	4.4
99.04437	1.2
99.08089	3.0
103.05483	1.2
105.04518	1.9
105.07030	34.6
107.07867	1.8
107.08594	32.9
109.02821	1.1
109.06488	3.8
109.10164	21.5
111.08086	3.0
115.05486	1.4
117.07014	15.0
119.08585	27.4
121.06492	1.2
121.10142	30.3
123.08068	3.0
123.11713	6.7
125.09650	2.9
127.03967	2.4
129.05545	1.2
129.07005	5.7
131.08571	19.3
133.09120	1.4
133.10129	24.5
135.11696	20.2
137.09608	1.4
137.13248	1.8
141.07011	1.4
143.08582	7.7
144.09288	1.3
145.05029	2.5
145.10130	18.4
147.11696	18.9
149.09598	2.3
149.13260	9.6
151.11223	1.8
157.10121	6.0
159.11696	16.2
161.09634	1.8
161.13275	13.4
163.06018	2.6
163.11107	1.8
163.14847	4.3
165.12753	1.0
169.10078	2.1
171.11678	6.1
173.13235	9.3
175.14789	5.7
177.12784	1.1
177.16446	1.5
179.14226	2.3
181.10266	1.1
183.11673	1.3
185.13245	4.7
187.14847	8.2
199.14821	3.3
201.16444	2.6
203.17908	1.1
205.15875	2.6
207.13805	1.2
213.16498	1.7
219.17491	1.4
221.19038	2.5
231.21104	2.5
239.17964	2.0
239.32863	1.1
241.19591	9.1
243.21083	3.0
257.18909	2.4
259.20566	22.5
261.22095	7.7
271.09012	1.1
275.20175	1.4
277.21661	18.7
293.21228	2.2
295.22720	1.5
309.38101	1.3
317.24918	2.0
331.22934	1.3
333.24219	16.1
335.25812	100.0
336.26248	3.4
337.27448	2.1
351.25320	35.1
429.38062	1.2
519.41772	1.9
529.38818	3.7
553.42859	1.7
557.42554	1.4
571.43701	1.4
593.45581	2.6
611.46710	52.3
612.46350	4.4
970.57904	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05173	2.7
67.05506	43.2
69.03423	7.8
69.07069	17.2
69.97293	9.1
71.04985	3.3
71.08628	24.5
78.50984	2.0
79.05493	29.2
81.03432	9.0
81.07059	64.5
83.04976	8.7
83.08620	15.2
85.02897	10.7
85.10185	14.4
85.62709	2.4
91.03967	3.8
91.05473	28.8
93.07040	35.3
95.05002	10.8
95.08611	37.0
97.02908	9.8
97.05962	1.9
97.06512	11.1
97.10172	8.6
99.08076	2.6
105.07029	18.0
107.04939	5.2
107.08595	20.3
109.06495	4.0
109.10145	17.8
111.08100	3.4
117.07060	12.1
117.07754	1.6
119.08591	17.2
121.06532	2.4
121.10187	12.1
123.08088	2.3
123.11681	4.4
125.09606	2.2
127.03935	7.0
129.06982	3.4
131.08582	14.5
133.10138	14.6
135.08040	5.4
135.11707	11.2
137.09605	2.7
141.07039	1.8
143.08572	2.2
145.04997	3.4
145.10121	7.9
147.11682	9.0
149.09590	9.9
149.13306	10.1
157.10130	3.7
159.11690	11.9
163.11218	5.2
173.13248	5.0
177.12737	3.0
179.14284	1.7
185.43904	2.0
195.13817	3.3
219.13875	2.1
227.12787	4.0
229.14307	4.6
239.17876	2.3
239.23610	3.0
247.20540	2.8
255.15895	18.1
257.19012	6.7
267.15875	3.4
269.17471	38.8
275.20087	25.1
293.21039	4.8
309.20447	2.6
313.27353	94.6
331.22549	2.3
349.23706	28.5
367.24823	4.4
394.17990	2.1
413.21771	3.2
438.58496	2.1
450.45468	2.0
467.36600	2.7
493.39017	21.1
499.89786	2.4
507.40463	100.0
508.40741	4.9
546.00720	2.2
547.43048	3.9
587.46625	45.5
594.06616	2.1
605.47693	15.3
972.20636	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	937.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	2.4
69.03436	2.6
69.07081	0.8
70.89328	0.5
71.01357	0.6
71.08635	0.9
71.56042	0.7
73.02567	0.6
73.02909	3.5
79.05507	1.0
81.03416	1.7
81.07040	2.5
85.02902	5.1
85.10249	0.5
91.03958	2.6
91.05477	0.6
93.07041	1.3
95.08625	2.3
97.02894	5.3
99.04485	0.7
99.14510	0.5
101.02396	1.9
103.03916	0.6
107.08600	0.7
109.02928	0.8
109.10189	1.1
117.05455	0.4
121.10181	0.7
123.11730	0.5
127.03927	1.7
185.04251	0.5
243.06236	0.6
243.08536	1.5
292.17395	0.6
347.09424	2.8
365.10873	0.6
405.13864	5.2
490.60428	0.6
497.30774	3.1
519.29303	4.8
659.36145	3.3
681.34650	5.4
775.53442	1.5
937.58612	100.0
938.58972	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	954.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	56.4
69.03421	2.8
69.07069	13.3
71.04990	2.0
71.08627	1.0
71.35256	1.5
73.02917	4.2
79.05497	41.0
80.82871	0.7
81.03412	1.6
81.07059	61.2
83.04975	2.1
83.08621	6.6
85.02428	1.2
85.02906	15.5
85.06527	1.8
91.03956	12.0
91.05486	23.5
93.07047	46.6
95.04947	4.0
95.08611	48.7
97.02882	7.7
97.06519	2.4
97.10178	3.5
99.04491	1.0
99.08091	0.9
105.04501	1.1
105.07033	18.9
107.08598	23.4
109.06478	1.3
109.10159	22.2
111.08091	1.4
111.11694	0.9
113.09599	1.0
115.03903	1.0
117.07024	7.1
119.08584	17.1
121.10143	22.2
123.08109	1.6
123.11713	7.7
125.09656	1.4
127.03919	4.7
129.07007	2.6
131.08575	14.6
133.10139	12.8
135.11702	15.7
137.13312	3.7
139.11200	1.2
143.08565	2.5
145.04974	6.0
145.10133	10.9
147.11681	11.0
149.13260	9.7
151.14861	1.1
155.08536	0.9
157.10187	1.7
159.11708	9.9
161.13261	8.0
163.06042	6.7
163.11186	0.7
163.14816	4.6
165.16449	0.9
171.11705	3.2
173.13298	7.4
175.14833	4.5
177.16322	1.4
185.13234	3.0
187.14783	4.6
189.16405	2.0
199.14778	1.5
201.16344	2.3
206.15866	0.7
209.73177	0.8
215.17929	1.0
217.19550	1.0
231.21086	1.3
241.19672	3.7
243.21091	6.1
257.18958	0.7
259.20599	8.6
261.22168	21.5
263.23517	1.8
279.23203	1.3
287.23325	0.9
299.23703	1.0
315.23257	0.9
317.24759	4.8
321.23856	0.7
333.24240	8.8
335.25797	100.0
336.26099	2.5
337.27393	13.3
433.91623	0.7
489.35370	0.9
503.36649	0.9
521.43604	2.8
539.44135	1.0
595.47223	15.4
613.38818	1.5
613.48291	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	96.3
69.03429	5.1
69.07072	31.7
71.04982	2.8
71.08627	2.3
71.20783	1.6
73.02920	6.7
79.05493	49.8
81.03407	2.9
81.07061	94.7
83.04967	1.8
83.08620	17.3
85.02908	28.1
85.06535	3.3
85.10181	2.0
91.03960	18.0
91.04903	1.4
91.05480	31.0
93.07046	56.2
95.04994	4.2
95.08609	80.3
96.08960	1.1
97.02888	14.4
97.06511	5.2
97.10169	8.2
99.04457	1.4
99.08083	3.4
104.31209	0.8
105.04524	1.4
105.07030	22.1
107.08597	33.0
109.02940	1.1
109.06519	2.2
109.10158	36.6
111.08069	2.2
111.11710	2.0
115.03878	1.1
117.07021	6.6
119.07798	1.4
119.08589	21.4
121.10141	27.4
123.08080	1.7
123.11706	15.0
125.09624	1.2
127.03910	7.5
128.06223	1.1
129.07018	1.9
131.08565	13.7
133.10143	19.3
135.11697	18.2
137.09651	1.0
137.13274	5.3
139.11201	1.4
143.08629	2.3
145.04979	9.0
145.10129	11.8
146.10289	0.8
147.11699	13.1
148.39752	1.0
149.09590	1.2
149.13261	12.2
151.14821	2.7
153.12834	1.0
157.10201	1.6
159.11688	10.2
161.13263	10.1
163.06039	12.2
163.11053	1.0
163.14835	6.6
165.12756	1.6
165.16418	1.5
171.11661	2.7
173.13283	7.4
175.14841	5.1
177.16367	2.4
179.14304	0.9
179.17995	1.1
185.13289	3.0
187.14851	5.8
189.16418	1.4
201.16437	2.0
201.62680	0.9
203.18011	1.5
215.17986	1.6
219.21057	1.2
233.22694	1.3
241.19695	2.4
243.21057	8.3
245.22624	3.5
259.20612	6.3
261.22171	26.9
263.23627	5.7
271.60861	0.9
295.84723	1.0
297.73254	0.9
317.24759	5.7
317.28125	1.4
333.24350	4.9
335.25803	88.7
336.26056	1.7
337.27371	100.0
338.27637	1.7
339.28912	8.1
353.27158	0.9
503.38660	0.9
505.43982	1.6
517.38739	1.6
523.45227	5.0
531.40344	1.3
541.45776	2.2
545.41846	1.3
559.46295	1.1
597.48804	41.8
598.48651	1.6
615.49823	50.6
616.49939	2.3
806.99200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.1
66.27935	0.5
67.05508	34.8
67.38873	0.6
69.03413	2.1
69.06725	0.8
69.07072	11.6
71.04968	1.2
71.08634	19.8
71.20000	1.0
71.20341	0.6
73.02917	4.9
73.50900	0.5
77.67821	0.5
79.05495	21.7
81.03409	1.3
81.07059	40.1
83.04958	1.0
83.08623	10.9
85.02908	15.5
85.06529	1.7
85.10187	13.5
89.06006	1.7
91.03957	11.3
91.04970	0.7
91.05486	10.7
93.07049	25.8
95.04943	2.1
95.08612	41.7
96.08897	0.5
97.02906	7.7
97.06497	1.3
97.10159	4.0
99.04431	0.9
99.08092	0.7
103.07564	1.1
105.07036	9.2
107.08603	16.8
109.02877	0.7
109.06490	0.6
109.10160	17.1
111.08058	1.8
111.11710	0.7
117.07011	3.7
119.08587	8.3
121.10149	13.2
123.08105	0.6
123.11710	7.9
125.13314	0.7
127.03932	5.0
131.08571	7.8
133.09233	0.7
133.10141	6.9
135.10686	0.7
135.11691	9.9
137.13280	2.5
139.11131	0.8
145.04950	6.0
145.10144	7.3
147.11691	4.5
149.13258	7.4
151.14827	1.0
159.11711	4.8
161.13269	4.4
163.06041	7.0
163.11232	0.6
163.14821	4.5
165.16409	0.5
165.47435	0.6
168.89534	0.6
173.13283	4.8
175.14841	1.8
177.12975	0.5
177.16377	1.9
183.09315	0.5
187.14758	2.6
194.12067	0.6
198.41928	0.5
201.16423	0.6
233.22574	1.6
239.23679	2.6
243.21094	10.4
256.31546	0.6
257.24753	2.0
261.22162	37.8
266.35236	0.6
279.23267	0.8
299.23636	0.8
308.02237	0.5
313.27374	100.0
314.27682	1.9
317.24844	6.8
335.25809	78.2
336.26056	1.7
499.45120	1.2
517.46625	0.9
521.82385	0.6
573.48792	42.0
574.49054	1.8
591.49841	7.9
721.12799	0.6
866.18976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.8
67.05507	14.0
69.03436	10.3
69.07068	6.1
71.01346	1.2
71.04994	1.4
71.08622	1.2
73.02918	9.0
79.05499	8.6
80.92171	0.5
81.03424	4.3
81.07060	15.3
82.37785	0.5
83.01360	0.5
83.04980	1.3
83.08607	4.0
85.02910	21.4
87.04468	1.2
91.03966	13.0
91.05486	8.4
93.07053	10.5
95.04974	1.5
95.08608	12.5
97.02898	18.6
97.06533	1.5
97.10180	2.6
97.47908	0.5
99.04452	2.1
99.08121	0.6
101.02380	2.9
102.67552	0.5
104.39510	0.4
105.07036	8.3
107.04973	0.8
107.08604	7.4
109.02876	2.0
109.06529	1.2
109.10167	5.3
111.08083	0.6
115.03940	1.0
115.05470	1.2
117.07027	4.9
119.08588	7.4
121.10149	5.3
123.08088	1.0
123.11715	1.4
125.09630	1.0
127.03921	4.0
128.06233	2.2
129.06993	6.7
129.07799	0.7
131.04813	0.7
131.08578	8.5
133.10129	6.8
135.08148	0.8
135.11700	3.4
141.06958	3.6
142.07816	2.0
143.08569	8.5
145.04964	2.8
145.10115	8.7
147.11691	3.5
149.09727	0.5
149.13292	1.4
153.07040	0.7
155.08557	7.7
156.09360	0.7
157.10133	7.7
158.10727	0.5
159.11700	6.4
160.12506	0.5
161.13292	2.3
163.06044	1.7
163.11139	0.6
163.14856	0.7
165.07043	0.9
166.07794	1.1
167.08569	3.9
168.09323	1.5
169.10132	10.4
170.10756	0.6
171.07909	0.5
171.11716	7.8
173.13315	3.8
175.04375	0.5
175.14886	1.4
177.16360	0.7
179.08630	2.2
179.10701	0.5
180.09404	1.0
181.10141	5.9
182.10962	0.8
183.11708	8.2
183.13226	0.7
184.12354	0.4
185.13231	5.9
187.14896	2.1
191.08527	0.7
193.10204	2.6
195.11681	6.1
197.13283	7.4
199.13284	0.6
199.14868	3.0
200.15326	0.4
201.16428	1.4
205.10246	1.0
207.11594	2.5
209.13234	5.3
211.11394	0.6
211.14845	5.7
213.16420	2.4
219.11778	1.3
220.12535	0.7
221.13322	2.5
223.14851	4.3
225.16420	2.4
226.91856	0.5
227.18095	1.2
233.13419	1.1
235.14888	2.2
237.16414	2.3
239.17970	2.1
241.19676	1.4
247.14925	0.9
249.16386	1.3
251.17975	1.9
253.19601	1.2
255.21117	0.7
259.20786	0.5
261.16409	1.1
263.17981	0.7
265.19559	1.2
266.05075	0.5
267.21143	0.6
277.19681	0.7
279.21130	1.0
281.22812	0.7
285.18674	0.7
311.23544	0.6
313.27390	2.0
314.27826	0.8
321.22305	1.2
323.23807	0.7
335.26114	1.2
336.26172	1.4
337.21216	0.7
337.25055	0.8
349.25302	0.7
351.26892	1.3
353.24515	0.6
363.26804	0.7
365.28561	0.8
391.30289	0.7
405.31604	0.7
429.31305	0.7
447.32449	0.7
501.35571	1.0
515.37659	0.8
517.40363	4.7
525.35217	0.7
527.37927	0.7
535.41669	3.4
539.37476	2.1
541.38916	1.0
569.41956	0.9
591.44263	5.2
607.43689	3.8
609.45142	100.0
610.45459	6.0
611.46985	0.8
612.46539	0.5
621.44995	2.0
633.45404	1.4
651.46216	1.1
699.45856	1.1
717.47064	0.9
735.48340	2.7
753.49548	3.2
769.49103	0.6
771.50403	27.5
772.50616	1.7
895.88110	0.6
933.55548	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	888.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.1
67.05508	41.9
69.03433	1.7
69.06725	0.9
69.07075	12.2
71.04987	2.2
73.02913	2.2
79.05498	30.0
81.03403	2.2
81.07061	48.9
83.04977	3.8
83.08621	8.0
85.02908	7.0
85.06553	3.2
91.03973	4.0
91.05485	18.0
93.07049	42.9
95.04996	3.0
95.08610	25.0
95.09225	0.8
97.02892	4.2
97.06528	4.9
97.10163	1.4
99.04484	0.5
99.08098	1.3
105.07041	9.4
107.08601	21.9
109.06532	1.5
109.10152	8.1
111.08110	3.7
111.11768	0.6
116.45509	0.5
117.07028	4.9
119.08587	6.3
121.06489	0.6
121.10146	16.1
121.11031	0.8
123.08053	0.8
123.11750	3.6
125.09644	0.6
127.03885	1.4
129.07005	0.9
131.08574	8.6
133.10139	6.8
135.08076	0.9
135.11693	7.9
139.11218	1.0
140.71300	0.6
144.09412	0.5
145.05000	1.5
145.10153	4.0
147.11720	3.5
149.09589	0.6
149.13264	15.7
157.10156	0.7
159.11707	7.8
161.13278	2.2
163.06015	0.9
163.14821	0.8
171.11792	0.8
173.13293	2.6
175.14911	0.9
177.12769	2.7
187.14850	1.1
195.13814	4.2
199.14900	0.8
205.57176	0.6
213.14903	1.1
229.61432	0.6
243.21046	3.0
261.22137	7.2
267.15961	1.4
269.17490	44.7
270.17993	1.1
317.24924	2.3
323.34424	0.6
335.25800	44.0
336.26309	1.0
437.34198	0.8
455.36023	1.2
529.38904	100.0
530.39325	4.9
534.14935	0.6
547.40161	1.9
736.59418	0.6
888.50403	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	880.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21522	0.4
165.07005	0.6
167.08566	0.3
181.10252	0.2
189.06982	0.3
190.07806	0.2
191.08577	0.8
193.06464	0.5
194.07315	0.7
195.08121	0.3
197.09631	0.3
205.06557	1.0
206.07132	0.3
207.08075	0.7
208.08856	0.4
209.09633	0.7
210.06807	0.2
211.07434	0.2
219.08022	1.1
220.08824	0.5
221.06001	0.9
221.09659	0.5
222.06853	0.6
223.07555	0.8
224.08275	0.4
225.09103	1.2
233.05974	1.9
234.06682	0.4
235.07523	1.4
236.08304	1.6
237.09120	12.5
238.06169	0.4
238.09607	0.5
239.07170	0.4
247.07567	0.7
248.08313	0.8
249.05447	1.8
249.09065	1.5
250.06236	0.5
250.09543	0.2
251.07101	1.3
251.10715	2.0
252.07782	0.6
253.08621	5.9
254.09178	0.2
260.08478	0.2
263.06998	2.0
263.09869	0.2
263.10709	0.2
264.07776	1.7
265.08606	40.5
266.05811	0.4
266.08957	1.6
267.06665	1.4
267.10178	1.4
268.11017	0.4
279.06921	0.3
279.10165	3.7
280.10953	70.6
281.08118	30.2
281.11252	2.4
282.08807	2.3
295.09711	4.8
296.10437	42.3
297.10709	1.2
309.07813	0.2
311.12781	100.0
312.12857	3.2
326.14117	0.3
328.12045	1.9
328.15427	35.8
329.15842	1.1
656.35846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30742	0.2
65.03940	0.3
68.99793	2.5
69.09700	0.2
71.55228	0.2
81.03418	0.8
103.05475	0.3
107.04933	0.6
109.02864	0.6
111.00813	1.2
111.04430	0.9
115.05463	0.5
117.03362	0.3
121.02867	0.9
122.28669	0.3
123.04431	6.0
127.03922	5.1
131.04922	0.5
135.04430	4.9
137.02350	11.0
137.03392	0.7
139.03908	15.1
143.04872	0.6
145.02933	0.5
145.06422	0.4
147.04425	1.7
148.60478	0.3
149.02350	5.2
149.06000	0.8
151.03902	2.0
153.01830	3.1
155.03391	1.0
155.04892	0.4
157.06483	0.6
159.04428	1.2
161.02386	0.3
161.05994	1.2
163.03911	9.7
165.01781	0.6
165.05573	0.3
167.03401	0.6
171.04422	0.8
173.06009	1.0
175.03899	2.7
177.01825	0.3
177.05475	1.5
179.03397	1.2
181.04939	0.5
181.06451	0.6
183.04402	0.5
185.05974	2.2
187.03900	2.0
189.01825	0.5
189.05466	1.7
191.03387	2.1
193.04948	1.0
195.06496	0.6
197.05977	1.0
199.03946	1.3
201.05470	1.9
203.03403	5.1
203.07053	0.8
205.04968	1.1
207.02812	0.3
213.05487	3.5
215.03435	0.4
217.05009	1.5
221.04478	0.5
223.04012	0.4
223.05936	0.4
225.05513	0.5
227.03378	1.4
227.06989	0.3
229.04974	3.0
230.05554	0.3
231.03023	0.3
231.06525	4.1
233.04425	1.2
237.05444	0.8
241.04965	3.1
242.05629	0.3
243.06526	0.5
245.04443	5.5
247.06013	7.8
248.30956	0.3
251.05460	0.4
253.04974	0.8
255.06560	1.4
257.04468	17.2
258.05118	1.7
259.06033	8.7
265.04889	0.6
266.05585	0.3
267.06628	0.4
269.04422	4.6
271.05969	3.5
273.07559	0.8
275.05435	1.5
279.06332	0.4
281.04413	0.8
282.05142	0.3
283.06018	4.6
285.03882	1.1
285.07404	0.4
287.05505	100.0
288.05832	2.5
289.07056	2.7
293.04352	0.7
295.06012	0.6
297.03961	0.7
299.05670	1.5
301.07065	7.0
302.07401	0.5
309.04196	0.5
309.07556	0.4
311.05576	1.4
313.06992	0.6
319.08389	0.6
323.05453	0.9
327.04813	0.3
333.07773	0.5
335.05737	0.3
337.03482	0.3
345.07385	0.5
349.07040	0.5
351.05045	0.6
357.07385	0.3
361.06915	1.0
363.08563	0.3
365.06656	0.5
367.08188	0.3
373.07135	0.7
376.06052	0.4
377.06604	1.0
379.08121	0.7
385.06662	0.3
389.06552	1.2
391.08368	0.7
393.06110	1.1
395.07666	1.8
403.07938	0.5
405.05518	0.3
407.07565	4.0
409.09280	2.6
413.08676	3.6
417.05917	1.0
419.07507	1.1
421.09296	0.8
425.03101	0.5
425.08667	7.5
427.10263	4.9
431.07718	1.5
432.07938	0.3
435.07059	1.3
437.08859	0.7
443.09744	1.2
447.07184	0.9
449.08817	1.7
451.10168	0.5
459.07056	0.3
483.07672	0.3
497.08810	0.3
525.08160	0.9
527.09326	0.3
529.11377	0.3
533.10797	15.3
534.11096	0.5
537.07892	0.3
539.09833	0.7
541.11871	0.4
543.01801	0.4
543.09308	6.2
544.09485	0.3
545.10504	0.5
555.09320	0.5
557.10822	1.6
561.10187	1.8
569.10571	0.7
573.10419	2.0
575.12286	1.2
585.10406	0.5
603.11188	0.4
677.12573	0.8
693.12817	0.5
695.14032	2.4
711.13477	7.5
712.13599	0.4
729.02106	0.4
729.14618	7.4
888.35596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	15.5
69.07066	4.5
69.50165	7.1
70.95881	5.1
71.08643	10.2
72.93791	22.0
74.44762	1.1
74.57473	1.0
74.95384	1.7
79.05499	8.5
81.03415	4.1
81.07058	16.9
83.08630	4.7
85.10197	6.2
88.96908	2.2
89.94036	2.4
90.94836	12.7
91.05483	5.3
93.07031	8.1
95.04961	1.5
95.08615	14.6
95.57812	1.1
97.10148	1.9
98.21460	1.6
100.96877	1.4
102.94805	2.3
104.96399	1.3
105.07035	2.9
105.86243	1.2
107.08600	4.6
108.95844	2.4
109.10153	7.4
113.09028	1.3
113.96418	2.9
114.94852	1.3
116.96367	4.9
117.07018	1.5
118.94328	1.9
119.08569	2.7
120.95845	1.4
121.10165	2.7
126.98435	4.2
128.96359	5.9
130.97925	3.9
131.08591	2.3
132.95851	20.7
134.97421	3.7
135.11719	2.3
140.96359	2.0
141.97079	1.0
142.97914	1.6
144.95854	8.1
144.99487	4.4
146.97379	11.3
148.98988	2.0
150.96902	8.2
151.97707	1.2
154.97862	1.4
155.97379	2.7
155.98639	1.2
156.95889	5.2
158.97409	15.7
160.99026	2.0
162.96892	6.9
162.98926	1.5
164.98470	36.3
164.99835	1.8
165.97163	1.7
166.97972	1.7
168.95792	1.4
169.99016	1.4
170.97385	10.1
172.98997	3.4
174.96950	3.7
174.98524	0.9
176.98473	4.4
178.97911	2.5
181.99023	1.8
182.97437	4.2
183.98012	1.1
184.99010	3.5
186.96881	2.1
188.00014	2.0
188.98418	6.9
191.00006	1.4
192.97900	2.6
196.91977	1.2
196.98958	2.0
198.96899	44.3
200.98500	5.7
201.99170	1.2
202.99998	2.4
206.99442	6.8
214.93077	8.4
214.99948	2.7
216.97922	12.5
217.01331	1.1
218.99525	4.2
221.98430	1.2
230.99527	8.4
233.01071	12.9
239.05188	1.4
239.23662	1.5
239.99519	1.9
240.94730	1.5
241.05229	3.1
242.99620	1.6
244.92020	1.8
245.01041	1.6
252.94600	2.1
254.99510	2.4
255.06819	1.7
257.24704	1.1
262.93069	23.9
264.08383	1.2
265.09122	1.2
270.95767	6.8
273.00574	4.1
279.08344	1.5
279.43234	1.1
280.94150	15.1
281.09924	5.1
283.11539	3.4
285.94702	2.3
298.95175	25.7
300.94629	2.2
307.13495	2.5
309.15170	1.5
311.16962	1.8
312.96741	5.8
313.27386	53.2
314.27750	2.2
316.96149	1.3
318.95651	2.3
321.96857	2.6
327.16290	3.7
329.11923	4.8
329.17783	7.8
331.13519	12.8
333.15115	100.0
334.15414	3.6
335.25797	38.1
336.25763	1.4
336.96848	9.9
347.18832	6.0
354.97833	16.8
370.20251	1.1
372.98904	35.7
374.17871	1.5
385.20374	4.0
396.00381	2.3
407.18738	18.0
414.01590	3.6
445.22452	1.2
449.19852	2.6
517.21942	2.1
519.17358	2.6
573.48492	5.5
575.19678	2.1
593.20776	13.6
611.21844	56.5
612.21979	3.0
615.19196	39.1
616.19415	2.4
629.22577	2.6
633.20300	56.3
634.20697	2.6
645.41162	2.9
652.24268	4.4
871.42877	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	867.213
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94291	1.2
65.03947	5.1
67.05511	1.1
68.99803	13.5
70.25155	4.3
70.55169	1.2
77.03947	1.1
79.05505	1.6
81.03426	4.6
83.04982	1.9
85.02896	2.4
89.03925	4.5
91.05470	1.9
93.03395	4.2
95.04985	3.2
98.48074	1.3
107.04969	7.2
109.02888	4.7
111.00822	8.7
111.04451	13.8
112.04742	1.4
115.05475	2.0
117.03437	1.6
119.04965	3.3
121.02879	3.4
123.04440	87.4
124.04771	2.1
127.03925	100.0
128.04269	2.4
131.04938	4.1
132.02451	1.3
135.04427	80.5
137.02348	10.6
139.03908	78.6
141.07014	1.3
143.04948	1.9
144.92842	1.4
147.04443	10.4
149.02365	7.3
149.05969	2.6
151.03909	24.0
153.01826	1.5
153.11290	1.2
155.04916	1.9
157.06541	2.2
159.04440	6.0
161.02341	1.8
161.05991	7.1
163.03917	76.2
164.04292	1.9
165.01816	2.5
165.05489	5.1
167.03476	8.1
169.05013	4.5
169.06398	2.2
173.02347	2.4
173.06026	7.1
173.07324	1.2
175.03903	5.8
177.05519	8.8
179.03412	10.5
181.04967	2.8
181.06448	2.2
183.04454	3.6
185.05998	3.7
187.03911	10.7
189.05470	3.9
191.03435	15.6
193.04933	3.3
197.05962	5.8
199.03922	1.4
201.05508	9.9
203.03438	14.0
203.07083	3.2
204.03824	1.6
205.05017	4.9
207.06590	1.8
213.05548	5.6
215.03412	3.9
215.07111	2.5
217.04982	4.8
219.02827	1.4
223.02350	3.4
225.05478	4.4
227.03468	1.5
229.04965	15.4
231.02876	1.3
231.06578	4.6
233.04372	6.3
235.02344	1.9
237.05428	1.5
239.07005	1.5
241.05019	5.5
242.05557	1.4
243.06560	7.3
245.04480	61.5
246.04778	2.0
247.06033	56.4
248.06256	1.5
253.04962	3.3
255.06612	3.3
257.04477	25.8
258.05002	5.2
259.06009	17.9
260.06528	1.3
261.07559	4.1
263.05777	1.4
265.08701	1.8
269.04391	7.5
270.05124	1.7
271.06027	37.6
272.06369	2.9
273.07364	1.8
274.04544	1.3
275.05521	19.1
281.04507	2.2
283.06052	12.8
284.06378	1.5
285.04123	2.0
285.07425	3.1
287.05496	51.3
288.01025	1.4
288.05856	20.7
289.07074	44.0
290.07245	1.5
291.08624	20.0
295.05939	4.3
299.05539	10.2
301.07062	19.1
303.08719	2.7
307.05972	2.2
309.03864	1.4
311.05508	4.5
313.07178	4.1
314.13831	2.5
323.05475	2.4
323.09189	1.4
331.08197	3.3
335.05606	2.0
341.06744	1.3
349.06918	1.8
351.04959	2.0
361.07074	3.2
371.36749	1.2
379.08191	6.5
383.07751	2.6
389.06598	3.1
391.08081	2.9
393.06049	4.6
397.09103	5.0
401.06451	1.4
403.08289	1.9
405.05997	3.7
407.07632	21.5
409.09192	35.8
410.09485	3.2
411.10776	7.3
415.08527	1.9
419.07690	5.7
421.09253	4.5
425.08609	14.6
427.10263	19.7
431.07468	1.6
433.09360	4.9
435.10577	2.4
437.08707	7.4
439.10092	2.2
449.08514	3.5
451.10202	10.1
527.09845	3.3
533.10852	1.5
534.11285	2.4
535.11816	5.9
541.10834	1.7
544.09576	1.3
545.10553	8.3
559.12213	2.6
571.12170	3.6
577.13062	3.4
579.15015	5.0
589.12958	1.7
628.96149	1.3
679.13745	2.8
697.15118	5.9
715.15753	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	866.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	6.3
67.05514	30.8
69.03419	1.2
69.07078	12.6
71.04969	2.8
71.08644	15.0
71.56193	0.6
73.02895	2.5
75.04478	0.7
79.05508	13.6
81.03409	1.2
81.07069	40.7
83.04962	3.0
83.08162	0.7
83.08624	11.9
85.02516	0.6
85.02914	8.0
85.06519	2.1
85.10195	7.3
85.53049	0.7
91.03501	0.6
91.03976	5.6
91.05501	6.7
93.07059	28.8
95.04953	2.4
95.08614	18.2
97.02902	5.0
97.06555	5.1
97.10197	3.4
99.08068	1.4
105.07040	3.7
107.07976	1.0
107.08611	14.9
109.06564	0.8
109.10167	6.5
111.08047	3.2
111.11685	1.0
113.05919	0.7
117.07021	4.6
119.08552	1.3
121.06502	1.2
121.10159	10.3
123.11698	2.2
127.03906	1.4
127.07562	0.6
131.08615	3.7
131.23471	0.7
133.10085	2.9
135.08069	0.9
135.11696	4.0
139.11160	1.2
145.04939	2.2
147.11678	0.8
149.09682	0.8
149.13281	18.3
151.11139	0.7
156.35008	0.7
159.11710	7.8
163.06013	1.4
177.12802	3.3
195.13817	7.5
200.18869	0.7
213.14929	0.8
239.23618	0.8
257.24609	1.2
269.17508	99.5
279.13126	0.7
313.27396	52.8
314.27585	1.0
507.40497	100.0
508.40863	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	867.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56688	0.5
65.03938	2.0
67.05500	1.0
68.99443	0.6
68.99797	7.9
71.56042	0.7
74.10635	0.5
77.03926	1.3
79.05502	1.7
79.43120	0.6
81.03420	5.2
83.04948	1.1
85.02870	0.6
89.03927	2.7
91.05505	1.2
93.03413	2.0
95.04961	2.3
99.04436	1.3
105.03437	0.9
107.04966	6.6
109.02899	3.9
111.00820	6.9
111.04465	9.2
113.97057	0.6
115.05460	1.6
117.03383	1.9
117.07034	0.6
119.04949	2.4
121.02885	2.3
123.04443	73.1
124.04813	1.2
127.03928	100.0
129.07014	0.7
131.04930	3.8
135.04430	55.2
136.04823	0.5
137.02370	5.2
137.05995	1.8
139.03915	42.0
140.04309	0.7
141.07007	1.6
143.04929	1.6
145.02826	0.8
145.06514	1.1
147.04424	9.9
149.02350	6.4
149.06029	2.0
151.03908	14.2
153.05469	1.1
153.07018	0.9
155.04924	2.0
157.06493	0.6
159.04430	5.2
161.02371	0.8
161.05974	4.7
163.03920	55.4
164.04300	0.7
165.01871	0.6
165.05505	5.2
166.44963	0.6
167.03494	4.0
167.04663	0.8
169.05019	1.5
169.06522	2.5
173.05977	4.9
175.03893	3.1
177.05482	6.0
178.08788	0.7
179.03435	9.7
181.04956	2.4
181.06447	0.8
183.04448	1.6
185.06029	1.8
187.03893	7.5
187.07555	1.2
189.05472	3.0
191.03406	7.6
193.04988	2.5
197.05978	5.2
199.03957	0.7
201.05507	8.6
203.03424	10.8
203.07111	2.2
205.04903	3.5
207.06572	1.5
213.05479	3.1
215.03520	2.9
215.07039	3.0
217.04987	2.2
218.76367	0.6
219.06744	1.3
223.02266	0.7
225.05513	2.2
227.07060	0.8
229.04982	11.9
231.06560	3.3
233.04591	2.6
237.05614	0.6
239.07159	1.0
241.04985	3.0
243.06570	6.2
244.03749	0.7
245.04483	42.3
246.04880	1.1
247.06050	43.6
248.06415	1.1
253.05099	2.5
255.06606	2.3
257.04483	14.9
258.05179	2.1
259.06024	8.2
261.07654	2.4
263.05392	1.3
265.05002	1.5
265.08707	0.6
267.06659	1.4
269.04477	3.9
270.05234	0.9
271.06042	25.8
272.06549	0.8
273.07587	1.6
274.04752	2.2
275.05502	16.7
279.06384	0.9
281.04465	1.4
283.06039	7.1
285.04025	1.7
285.07645	2.5
287.05533	26.5
288.05838	1.4
289.07101	29.3
291.05661	1.2
291.08673	15.2
295.06009	2.1
297.04068	1.7
299.05481	5.6
301.07098	7.9
303.05557	0.7
303.08649	3.3
309.04037	1.7
309.07489	0.9
311.05508	1.2
313.07062	2.7
315.05124	0.7
317.07962	0.6
319.06055	0.6
321.07651	0.8
323.05557	2.9
329.07111	0.8
331.08020	1.0
335.05597	0.6
339.04977	0.9
339.08670	0.8
349.07166	0.7
351.05005	0.9
357.07333	0.6
361.07297	1.4
363.08890	0.9
365.06607	1.7
377.06723	0.9
379.08142	3.2
383.07587	1.1
389.06580	1.8
389.31027	0.6
391.08463	2.8
393.06094	2.4
395.07794	2.0
397.09207	4.3
403.08496	0.6
403.14352	0.6
405.05710	2.8
407.07666	20.5
408.08099	1.0
409.09225	25.4
410.09616	1.1
411.10837	5.0
419.07452	3.2
421.08960	2.8
425.08762	9.9
427.10254	9.1
431.07785	1.3
433.09363	2.2
435.10941	2.6
437.08676	4.7
439.10129	2.6
449.08774	2.2
451.10327	4.0
453.11890	2.4
517.11230	2.9
527.09698	1.7
535.12500	1.3
541.11511	0.9
545.10895	3.3
557.10419	0.7
559.11975	0.8
561.13916	1.6
571.12561	1.6
577.13525	1.0
579.15167	4.3
679.14465	1.7
697.15533	2.5
895.44067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03754	0.2
69.29462	0.1
69.29858	0.1
69.85607	0.4
69.86025	0.4
70.85029	0.1
74.42880	0.1
74.75942	0.1
77.54230	0.1
79.80640	0.1
81.76974	0.2
110.87053	0.1
115.05437	0.2
127.03940	0.2
165.07027	0.6
166.07829	0.2
176.06282	0.2
177.05582	0.3
177.07025	3.4
178.07697	0.3
179.08560	1.0
181.06451	0.2
189.07036	0.5
191.08572	0.7
193.06493	0.2
194.07254	2.0
195.08125	0.2
196.08865	0.2
205.06503	13.7
206.07118	0.8
207.08073	1.4
208.08733	0.2
209.09654	0.3
217.06546	0.3
219.08073	0.7
221.05937	0.4
222.06763	5.7
223.07434	0.3
224.08319	0.3
233.05983	13.9
234.06700	1.3
235.07561	5.1
236.08217	0.5
237.09116	21.6
238.09453	0.6
239.10675	0.3
245.06116	0.2
247.07602	0.3
249.09160	0.4
250.06291	2.9
251.06984	0.6
252.07797	1.5
253.08537	0.2
263.07068	3.1
264.07806	3.5
265.08606	53.7
265.76407	0.2
266.08948	1.5
267.10178	0.5
279.06573	0.5
280.07318	2.9
284.12653	0.2
295.09668	100.0
296.10010	3.2
312.12314	28.9
313.12811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66916	0.3
65.03936	0.3
68.99790	2.3
69.51178	0.8
69.51592	1.1
69.59636	0.2
81.03404	0.8
95.04942	0.3
95.86591	0.3
105.03398	0.3
107.04981	0.5
109.02927	0.3
111.00766	1.4
111.04438	0.7
115.05492	0.6
119.04957	0.7
121.02872	1.1
123.04440	11.4
127.03922	5.5
128.06215	0.3
131.04907	0.5
135.04433	4.8
137.02354	11.5
137.03421	0.9
139.03909	9.0
139.05028	0.3
139.59317	0.3
141.06993	0.6
143.04919	0.7
145.02759	0.3
145.06487	0.3
147.04408	3.2
149.02356	4.5
149.05952	0.5
150.03073	0.3
151.03914	1.1
153.01842	2.6
155.03377	0.9
155.04875	0.6
157.06503	1.0
159.04448	0.8
161.05966	2.3
163.03928	7.9
165.01842	0.3
165.05515	1.1
167.03397	1.0
167.04895	0.4
171.04437	1.0
173.02371	0.4
173.05994	1.2
175.03889	2.5
177.01797	0.4
177.05508	1.2
179.03391	0.6
181.06494	0.3
185.05963	2.0
187.03911	1.6
189.05411	1.4
191.03400	1.9
191.07103	0.3
193.04970	0.8
195.04459	0.3
197.05983	0.9
199.03970	1.2
201.05466	1.7
203.03415	5.4
203.07043	0.6
204.15981	0.3
205.04913	0.6
207.02899	0.4
207.06537	0.7
213.05484	4.0
215.03375	0.7
215.07021	0.3
217.04987	2.0
219.03151	0.3
219.06577	0.4
221.04489	0.6
225.05515	0.8
227.03462	1.0
227.07054	0.3
229.01329	0.4
229.04968	3.4
231.03168	0.3
231.06511	4.4
233.04459	1.0
235.02280	0.3
237.05460	0.8
241.04964	3.1
243.06464	0.5
245.04468	5.6
247.06030	7.7
253.04933	0.8
255.06555	1.3
257.04468	17.0
258.05203	1.2
259.06024	8.4
263.07144	0.3
265.05063	0.8
269.04422	3.8
270.05182	0.5
271.06033	3.4
273.03940	0.2
273.07578	1.0
275.05289	1.4
279.06662	0.3
281.04456	0.5
283.06009	4.5
285.03970	0.9
285.07446	0.4
287.05511	100.0
288.05829	3.0
289.07065	2.2
295.06064	0.5
297.03961	0.9
299.05518	1.9
301.07031	5.1
303.08713	0.6
307.05923	0.4
309.04004	0.5
309.07489	0.4
311.05487	1.3
315.04895	0.3
321.07620	0.7
333.07483	0.3
334.70337	0.3
345.07709	0.4
351.04916	0.4
361.07050	1.0
365.06586	0.4
373.07062	1.0
377.06674	1.0
379.08102	0.6
389.06784	1.3
391.08249	1.1
393.06039	0.7
395.07681	2.0
403.08105	0.6
407.07565	2.2
409.09195	9.7
410.09390	0.4
411.10748	4.0
413.08743	3.2
417.05988	0.6
419.07611	1.0
421.09402	0.6
425.08725	0.8
427.10138	0.8
431.07629	1.0
435.07190	0.8
437.08600	0.3
447.07065	1.2
449.08789	1.6
525.08075	0.7
529.11578	0.4
533.10803	13.2
534.11041	0.5
539.09277	0.4
543.00861	0.3
543.09143	5.2
545.10413	0.4
557.10614	1.2
561.10321	1.6
569.10864	1.3
573.10504	1.5
575.11572	0.7
612.68396	0.3
677.12769	1.1
695.14050	8.9
695.32867	0.4
696.13751	0.6
713.14990	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	864.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72547	0.1
68.84988	0.1
70.45518	0.5
78.25542	0.1
90.83193	0.2
165.07022	0.5
167.08539	0.3
167.35599	0.1
176.06216	0.4
177.06996	2.7
178.07738	0.3
179.08522	0.8
189.06949	0.5
190.07605	0.3
191.08540	0.6
194.07245	1.8
196.08842	0.2
205.06496	14.3
206.07141	0.9
207.08066	1.6
208.08954	0.2
209.09564	0.3
217.06429	0.4
219.04259	0.2
219.08073	0.6
221.05916	0.4
222.06772	5.4
223.07478	0.2
224.08301	0.6
233.05984	14.2
234.06683	1.4
235.07553	4.2
236.08287	0.4
237.09113	22.4
237.90111	0.1
238.09430	0.6
239.10707	0.3
245.06013	0.2
247.07559	0.4
249.09026	0.3
250.06279	2.9
251.06996	0.7
252.07817	1.5
263.07053	2.2
264.07819	3.7
264.10611	0.2
265.08600	52.4
266.08841	1.0
279.06491	0.2
280.07333	2.4
295.09659	100.0
296.10007	2.4
312.12305	27.9
313.12668	0.8
411.99429	0.2
807.86322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.3
61.02934	12.8
62.81228	1.3
65.03933	3.9
67.05511	98.1
69.03412	5.0
69.07082	6.9
71.04982	5.6
71.56360	2.0
73.02919	2.8
78.95469	1.4
79.05495	23.1
81.07063	38.1
83.04976	1.7
83.08214	1.3
83.08620	7.9
85.02490	1.4
85.02918	13.2
85.06534	3.3
91.03973	8.1
91.04458	1.2
91.05486	16.9
93.07054	33.1
95.04951	2.6
95.08615	29.2
97.02863	7.1
97.06519	1.8
97.10164	2.5
105.07056	10.3
107.08608	19.4
109.10165	76.3
110.10455	1.6
111.08071	5.1
117.07030	5.1
119.08607	12.0
121.10163	14.7
123.11694	4.3
125.09607	1.7
127.03918	3.7
131.08588	7.5
133.10130	7.7
135.11688	7.9
137.09619	3.2
137.13246	2.3
143.02888	1.6
143.08507	2.0
145.04933	3.2
145.10133	5.5
147.11693	5.6
149.13269	4.7
155.10696	3.2
159.11719	3.7
161.13228	3.7
163.06039	4.9
163.14816	3.1
173.11742	18.5
173.13254	5.0
175.14848	1.7
187.14822	1.5
227.12820	6.2
229.14374	100.0
230.14589	1.7
243.21158	6.4
261.22165	23.7
317.24838	3.6
335.25824	91.2
336.26132	2.3
373.18771	1.7
379.29227	1.6
388.97067	1.6
412.32474	1.4
471.34692	3.7
489.35797	88.1
490.35919	5.1
507.36642	7.1
510.66473	1.4
848.51019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.1
65.03941	7.3
67.05511	100.0
69.03429	6.6
69.06713	5.8
69.07070	55.3
70.06584	3.8
71.04992	6.6
71.08630	3.6
72.83577	2.8
73.02898	3.0
79.05499	88.6
79.64642	2.9
81.03413	13.1
81.06580	5.6
81.07059	95.8
83.04979	11.3
83.08632	19.9
85.02914	5.8
85.06545	7.1
91.05489	97.4
93.07050	81.2
93.07635	5.8
95.04987	15.3
95.08048	5.2
95.08617	58.3
97.02906	7.8
97.06563	15.7
97.10172	12.1
99.04482	3.1
99.08088	5.2
103.05441	4.4
105.07037	89.7
107.04966	9.7
107.08594	53.7
109.06541	7.6
109.10169	32.2
111.08072	7.1
115.05466	5.6
117.07024	36.7
119.08590	56.7
121.06502	8.0
121.10155	27.6
123.08075	8.6
123.11710	6.6
125.09641	15.3
127.03986	3.8
128.06239	6.5
129.05492	3.9
129.07027	21.4
131.08572	47.3
133.10139	41.3
135.08099	5.6
135.11647	18.7
137.05998	3.7
137.09634	9.3
139.11188	3.3
141.07002	7.2
142.07768	6.8
143.08562	26.0
144.09412	4.0
145.10126	36.5
147.08009	5.2
147.11717	24.0
149.09616	18.2
149.13277	8.5
151.11171	4.3
155.08560	11.9
157.10135	19.9
159.08159	3.6
159.11707	33.5
161.09511	3.6
161.13251	12.6
163.11208	8.4
165.12759	2.9
167.08595	9.2
169.10176	12.9
171.11639	22.0
173.11826	5.9
173.13307	14.3
175.11198	6.2
175.14867	6.2
177.12727	4.0
179.14389	3.5
181.10139	5.7
183.11708	12.6
185.13264	10.9
187.14897	5.2
187.62259	2.9
189.11246	4.3
195.11682	7.2
197.13289	9.2
197.51865	3.0
199.11229	3.6
199.14832	9.7
201.16435	4.4
203.14178	4.2
207.11629	4.1
209.13292	9.1
211.14879	4.7
227.12759	7.0
229.14281	6.2
239.18056	3.1
241.19588	6.9
247.20709	4.8
257.18964	4.3
259.20627	11.3
269.17474	10.0
275.20078	22.8
281.18970	3.4
293.21158	8.3
315.23306	4.1
333.24280	17.2
349.23734	16.9
367.24512	4.4
389.58228	3.5
513.35803	28.7
526.27478	3.4
527.36987	10.3
543.36829	4.7
607.43427	15.5
625.44342	8.1
652.49274	4.3
662.46033	2.9
782.48407	3.1
813.47614	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	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.3
61.02934	12.8
62.81228	1.3
65.03933	3.9
67.05511	98.1
69.03412	5.0
69.07082	6.9
71.04982	5.6
71.56360	2.0
73.02919	2.8
78.95469	1.4
79.05495	23.1
81.07063	38.1
83.04976	1.7
83.08214	1.3
83.08620	7.9
85.02490	1.4
85.02918	13.2
85.06534	3.3
91.03973	8.1
91.04458	1.2
91.05486	16.9
93.07054	33.1
95.04951	2.6
95.08615	29.2
97.02863	7.1
97.06519	1.8
97.10164	2.5
105.07056	10.3
107.08608	19.4
109.10165	76.3
110.10455	1.6
111.08071	5.1
117.07030	5.1
119.08607	12.0
121.10163	14.7
123.11694	4.3
125.09607	1.7
127.03918	3.7
131.08588	7.5
133.10130	7.7
135.11688	7.9
137.09619	3.2
137.13246	2.3
143.02888	1.6
143.08507	2.0
145.04933	3.2
145.10133	5.5
147.11693	5.6
149.13269	4.7
155.10696	3.2
159.11719	3.7
161.13228	3.7
163.06039	4.9
163.14816	3.1
173.11742	18.5
173.13254	5.0
175.14848	1.7
187.14822	1.5
227.12820	6.2
229.14374	100.0
230.14589	1.7
243.21158	6.4
261.22165	23.7
317.24838	3.6
335.25824	91.2
336.26132	2.3
373.18771	1.7
379.29227	1.6
388.97067	1.6
412.32474	1.4
471.34692	3.7
489.35797	88.1
490.35919	5.1
507.36642	7.1
510.66473	1.4
848.51019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.3
65.03935	7.4
67.05507	87.6
69.03423	7.5
69.06730	2.4
69.07070	33.6
70.92104	5.7
71.04991	5.9
71.62167	2.1
73.02894	3.9
77.88523	2.3
79.05496	93.4
79.05962	4.4
81.03434	13.2
81.07059	100.0
83.04984	13.8
83.08608	18.8
83.47798	2.8
85.02901	6.8
85.06538	4.2
86.62685	2.2
88.61833	2.5
91.05483	80.3
93.06474	4.4
93.07049	84.2
95.04974	20.3
95.08611	56.4
97.02877	4.1
97.06526	13.4
97.10175	11.2
99.04474	2.9
99.08115	2.3
103.05502	3.9
105.04446	2.2
105.07034	83.6
106.40390	2.2
107.04939	7.9
107.08601	52.9
108.32361	2.2
108.90789	2.5
109.06526	11.8
109.10162	23.4
111.08072	8.3
115.05472	4.5
116.06284	3.0
117.07025	34.3
118.07294	2.7
119.08592	57.7
119.86526	2.0
121.06514	4.2
121.10140	34.3
123.08050	6.3
123.11697	6.3
124.76699	2.2
125.09640	3.8
127.03938	3.9
128.06224	5.8
129.05453	3.2
129.07022	23.2
130.07779	3.1
131.08574	39.2
132.08911	3.1
133.06519	3.9
133.10130	44.2
135.08095	5.3
135.11691	22.6
141.07010	7.1
142.07767	6.0
143.08553	19.9
145.10127	39.0
147.11703	29.6
149.09596	11.0
149.13277	12.9
151.11176	2.4
153.06908	3.9
154.07797	3.4
155.08575	12.5
157.10170	19.3
159.08055	4.2
159.11694	24.3
161.09607	4.7
161.13234	20.2
163.11224	8.4
163.14821	3.4
167.08563	7.5
168.09322	2.7
169.10126	16.2
171.11679	20.3
173.09558	2.6
173.13206	16.9
175.11171	2.8
175.14830	10.5
181.10107	7.2
183.11668	12.2
185.13234	12.5
187.14888	3.3
193.10190	5.6
195.11710	5.9
195.13695	4.0
197.13268	10.4
199.14810	9.0
201.16374	4.4
204.09418	3.0
207.11696	4.2
209.13310	4.6
211.14861	4.1
213.16422	4.1
215.14490	2.6
218.84898	2.6
221.13277	2.9
225.16559	2.6
227.12668	4.2
231.21085	3.1
241.19485	11.7
255.15971	7.5
257.19052	5.8
259.20520	29.2
261.22101	2.9
267.15881	2.8
269.17508	13.8
275.20081	18.0
315.23218	6.5
333.24271	41.4
339.23376	3.2
349.23788	9.8
367.25046	2.6
417.31241	4.1
435.32364	7.3
453.33542	4.9
487.34094	2.4
513.35590	19.2
515.38184	3.5
525.35181	2.5
527.37286	39.6
528.25488	3.1
528.36963	3.2
531.36584	3.5
533.39661	5.2
545.38837	2.9
607.43616	22.9
625.44708	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	847.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56564	0.2
91.05448	0.3
119.04931	0.4
147.04398	0.6
152.06221	0.2
165.07051	0.5
166.07655	0.2
167.08530	0.2
175.03915	1.0
176.06198	0.3
177.05580	0.3
177.07013	2.8
178.07713	0.4
179.08549	0.7
181.06543	0.2
181.10213	0.2
189.07004	0.5
190.07610	0.2
191.08601	0.5
193.06476	0.3
194.07234	1.3
196.08952	0.2
204.05690	0.2
205.06502	13.5
206.07062	0.7
207.06381	1.9
207.08260	1.2
208.08792	0.3
209.05969	0.3
209.09538	0.2
211.07510	0.2
217.06491	0.4
219.04675	0.2
219.08095	0.7
221.05974	0.5
222.06758	5.6
223.07594	1.0
224.08330	0.6
228.71637	0.1
233.05988	13.6
234.06598	1.3
235.07545	4.1
235.09784	0.3
236.08247	0.5
237.09120	20.7
238.09404	0.8
239.07066	1.0
247.07611	0.6
249.08992	0.2
249.11215	0.3
250.06302	2.7
251.07050	3.4
252.07816	1.4
263.07080	2.0
264.07834	3.7
265.08606	51.4
266.08951	1.8
267.06583	0.4
268.09760	0.8
270.16034	0.1
271.41605	0.2
279.06586	0.7
280.07275	2.5
295.09665	100.0
296.09503	7.4
312.12317	26.7
313.12671	1.2
374.16171	0.5
420.62857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	8.1
67.05508	86.7
68.04404	4.4
69.03419	8.7
69.07072	32.1
71.04980	6.6
71.58269	6.8
73.20377	4.5
75.81745	4.1
79.05499	89.7
81.03388	6.2
81.07057	95.0
83.04959	8.8
83.08615	23.1
85.02916	6.3
85.06519	6.8
90.80038	4.4
91.05484	100.0
93.07050	94.5
95.04955	17.8
95.08601	66.6
97.02908	5.6
97.06524	11.9
97.10152	13.0
98.42411	4.1
99.08112	10.3
102.41863	4.9
105.07029	99.2
107.04967	6.7
107.08584	49.0
109.06518	11.7
109.10168	25.5
111.08081	7.6
113.09657	4.4
117.07019	37.0
119.08580	71.2
121.06531	4.9
121.10130	45.0
123.08092	10.2
123.11684	7.1
125.09658	7.0
128.06244	10.4
129.07027	27.2
131.08574	58.5
133.10132	43.2
135.08070	7.6
135.11674	25.3
137.09653	7.1
141.07008	16.5
142.07764	10.9
143.08598	36.5
145.10110	51.6
147.08113	5.6
147.11687	33.7
149.09624	10.8
149.13329	9.6
149.27538	4.1
155.08514	19.3
157.10110	27.0
159.11674	43.3
161.13290	15.0
163.11154	8.5
167.08630	5.0
169.10182	21.4
171.11725	21.7
173.13203	21.2
175.11247	8.2
175.14815	8.8
181.10170	12.5
183.11670	23.2
185.11742	4.8
185.13214	23.5
187.14864	8.6
191.10580	4.5
195.11659	12.7
197.13275	11.8
199.14825	14.2
201.16428	7.8
209.13272	12.8
211.14897	11.1
213.16299	7.3
221.13190	6.7
223.14833	7.5
235.14755	5.2
237.16278	4.3
239.18069	5.7
241.19415	5.6
257.18939	7.4
259.20636	21.5
269.17438	9.0
275.20139	20.8
331.22833	4.8
333.24228	39.1
349.23724	19.1
382.11963	4.7
385.23715	5.5
513.35553	15.2
515.38464	6.8
527.37476	13.4
533.40051	8.6
553.38751	15.2
567.40112	5.9
607.43658	49.4
625.44659	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42380	0.2
60.64652	0.2
71.46671	0.2
71.57872	0.5
75.40953	0.2
83.70249	0.2
102.87035	0.2
109.92046	0.2
148.14542	0.2
165.07010	0.4
166.07803	0.4
167.08443	0.2
176.06212	0.3
177.07001	2.7
178.07680	0.4
179.08530	0.9
189.07016	0.6
191.08574	0.6
194.07278	1.6
205.06505	13.8
206.07121	0.9
207.08060	1.4
208.08789	0.3
209.09618	0.3
217.06555	0.3
219.08083	0.7
221.06038	0.5
222.06781	5.2
223.07446	0.4
224.08310	0.8
233.05988	12.7
234.06596	1.1
235.07553	5.4
236.08186	0.7
237.09120	21.5
238.09460	0.6
239.10600	0.3
247.07738	0.4
250.06281	2.3
251.07004	1.0
252.07863	1.9
263.07040	3.3
264.07861	3.2
265.08609	47.6
266.08963	1.8
267.10199	1.2
279.06512	0.7
280.07318	2.3
281.07999	0.3
284.12866	0.6
295.09665	100.0
296.10046	3.8
297.10312	0.6
311.11139	0.3
312.12311	32.4
313.12711	1.5
326.21814	0.3
537.57556	0.3
554.07892	0.3
604.75006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.6
65.03925	5.6
67.05508	86.1
69.03433	7.8
69.07073	38.8
69.50822	19.3
71.04971	7.6
73.02890	3.3
74.68916	2.6
79.05075	5.2
79.05502	86.6
81.03400	8.8
81.07064	100.0
83.04969	13.0
83.08642	18.2
85.02905	9.6
85.06532	4.7
90.63266	2.8
91.05486	96.2
93.07050	81.2
95.04960	12.2
95.08048	5.5
95.08610	58.9
97.02203	2.6
97.02882	8.5
97.06535	11.3
97.10148	7.9
98.20762	5.9
98.21365	5.2
99.08088	4.9
103.05550	2.8
105.07040	86.4
107.04955	9.1
107.08603	54.6
109.02867	3.1
109.06519	4.6
109.10162	24.1
111.08044	4.8
115.05399	6.0
117.07043	35.0
119.07807	4.3
119.08592	69.9
121.06542	2.9
121.10156	33.3
123.08053	6.3
123.11700	8.9
125.09614	3.3
127.03900	3.2
128.06212	5.9
129.07013	24.6
130.07785	6.8
131.08578	43.1
133.09244	3.7
133.10144	45.0
135.08052	6.5
135.11716	18.9
137.09526	3.5
141.06963	9.1
142.07764	7.0
143.08569	22.6
145.06383	3.1
145.10149	38.6
147.11673	28.7
149.09628	6.9
149.13239	11.9
151.11188	3.1
155.08600	15.7
156.09308	3.4
157.10136	27.7
159.08133	3.4
159.11719	35.0
161.09631	5.3
161.13254	16.9
163.11134	4.6
166.07732	2.9
167.08583	5.2
169.10095	18.8
171.11678	20.0
173.13290	18.0
175.11220	4.8
175.14816	9.2
179.14273	2.9
181.10109	7.1
183.11736	16.0
185.09612	2.9
185.13269	12.2
187.14803	6.5
189.16386	3.9
192.09232	3.0
195.11697	9.3
197.13168	15.2
199.11292	3.8
199.14787	9.5
209.13234	8.1
211.14830	9.3
211.87686	2.9
213.16499	4.6
221.13284	3.1
223.14819	6.0
225.16374	4.6
227.18069	4.9
229.14211	3.6
235.14795	4.1
241.19492	6.8
259.20624	18.4
269.17386	5.1
271.20569	4.7
273.18454	5.8
275.20081	7.3
315.23062	3.7
333.24365	13.3
335.25922	5.2
341.24454	3.9
349.23679	5.6
435.32645	4.9
501.36026	4.3
527.37158	12.0
607.43341	6.0
609.35931	3.9
609.45184	39.2
625.44342	8.5
815.54205	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	834.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79784	0.2
70.53600	0.6
97.02861	0.2
102.50810	0.2
146.39331	0.2
157.34392	0.2
165.07008	0.5
167.08617	0.2
175.14845	0.5
176.06165	0.2
177.07014	3.2
178.07794	0.4
179.08560	0.7
189.06990	0.3
189.62216	0.2
191.08554	0.5
194.07283	1.5
205.06494	13.6
206.07098	0.8
207.08055	1.3
208.08879	0.3
217.06473	0.6
218.07220	0.2
219.08064	0.5
221.06041	0.4
222.06776	5.2
223.07407	0.3
224.08348	0.6
233.05984	14.3
234.06654	1.3
235.07556	4.1
236.08244	0.6
237.09111	21.4
238.09517	0.5
247.07712	0.3
250.06290	2.5
251.07028	0.7
252.07835	1.6
263.07010	2.1
264.07813	3.8
265.08606	53.3
266.09067	1.3
267.10092	0.2
279.06570	0.4
280.07327	2.4
293.55325	0.2
295.09662	100.0
296.10010	3.0
312.12314	29.9
313.12759	1.0
331.68436	0.2
352.83127	0.2
444.03940	0.2
555.33661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78908	0.1
63.87532	0.1
69.32293	1.2
70.64515	0.2
80.15514	0.1
90.46653	0.2
96.34212	0.1
118.52261	0.1
120.61446	0.1
132.06007	0.1
133.10086	0.2
165.07016	0.3
175.14853	0.8
176.06287	0.4
177.07008	3.2
178.07736	0.3
179.08563	0.7
189.06982	0.7
191.08560	0.7
194.07289	1.6
194.70450	0.1
205.06502	12.6
206.07040	0.6
207.08069	1.2
208.08926	0.2
209.09514	0.3
211.16811	0.2
217.06468	0.5
219.08078	0.8
221.06033	0.4
222.06772	4.4
223.07448	0.3
224.08261	0.6
233.05991	13.3
234.06697	1.1
235.07542	4.7
236.08278	0.5
237.09122	21.8
238.09453	0.7
239.10794	0.2
246.06679	0.2
247.07521	0.5
249.09042	0.2
250.06296	2.4
250.96779	0.1
251.06960	0.9
252.07787	1.4
263.07040	2.4
264.07874	3.5
265.08609	54.4
266.08911	1.6
267.10229	0.2
278.47021	0.1
279.06479	0.3
280.07300	2.4
295.09665	100.0
296.09998	3.0
297.53110	0.2
312.12317	32.1
313.12741	1.0
386.52277	0.1
638.58026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79784	0.2
70.53600	0.6
97.02861	0.2
102.50810	0.2
146.39331	0.2
157.34392	0.2
165.07008	0.5
167.08617	0.2
175.14845	0.5
176.06165	0.2
177.07014	3.2
178.07794	0.4
179.08560	0.7
189.06990	0.3
189.62216	0.2
191.08554	0.5
194.07283	1.5
205.06494	13.6
206.07098	0.8
207.08055	1.3
208.08879	0.3
217.06473	0.6
218.07220	0.2
219.08064	0.5
221.06041	0.4
222.06776	5.2
223.07407	0.3
224.08348	0.6
233.05984	14.3
234.06654	1.3
235.07556	4.1
236.08244	0.6
237.09111	21.4
238.09517	0.5
247.07712	0.3
250.06290	2.5
251.07028	0.7
252.07835	1.6
263.07010	2.1
264.07813	3.8
265.08606	53.3
266.09067	1.3
267.10092	0.2
279.06570	0.4
280.07327	2.4
293.55325	0.2
295.09662	100.0
296.10010	3.0
312.12314	29.9
313.12759	1.0
331.68436	0.2
352.83127	0.2
444.03940	0.2
555.33661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.4
67.05508	3.6
69.03434	2.8
69.07064	2.1
69.68856	0.9
69.69273	1.5
71.01377	0.5
71.04993	0.4
73.02925	3.1
75.04504	0.3
79.05500	5.5
79.13038	0.3
80.08788	0.3
81.03424	1.1
81.07064	4.5
83.08627	0.8
85.02911	3.8
91.03952	2.9
91.05488	4.6
93.07047	6.3
95.04976	1.1
95.08632	3.6
97.02901	3.5
98.21437	0.7
99.04465	0.8
101.02389	1.8
103.00863	0.3
103.03922	0.5
105.07033	4.2
107.08611	3.2
109.02894	0.8
109.06545	0.4
109.10172	1.3
111.08149	0.4
115.88409	0.3
117.07056	1.5
119.08600	3.1
121.06514	0.4
121.10118	2.2
123.08088	0.3
127.03942	1.0
129.05482	0.8
129.07027	0.8
131.08588	1.4
133.10120	2.8
135.11731	1.3
135.37683	0.3
143.08630	0.7
143.31499	0.3
145.05092	0.4
145.10170	0.8
147.11722	1.7
149.13248	0.6
157.10159	0.7
159.11751	0.8
161.13313	0.9
169.10257	0.4
171.11710	0.6
173.13277	0.4
185.04260	1.1
201.03804	0.7
203.05367	0.6
207.80464	0.3
243.08455	3.1
259.20691	1.0
299.19977	0.5
301.08948	2.3
313.08929	0.9
315.10657	1.0
317.21097	1.2
325.66476	0.4
333.24216	0.5
341.12054	0.4
369.15359	0.7
371.16980	0.4
373.11002	0.4
373.23746	0.5
385.18491	0.8
397.18405	0.5
437.21756	0.5
448.24429	0.4
465.20929	1.7
495.22253	0.6
525.23425	1.4
535.28827	14.3
536.29071	0.4
607.30920	1.9
635.34491	0.5
639.19592	0.3
649.35571	0.6
759.42261	0.5
829.50732	100.0
830.51031	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	832.556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	100.0
58.92833	0.4
59.06131	2.6
61.02923	2.4
65.03940	0.8
67.05164	1.0
67.05507	12.9
69.03439	1.7
69.07075	3.3
70.06604	1.9
71.18728	0.7
73.02921	1.1
74.61274	0.5
79.05495	11.7
80.05018	1.2
81.03448	0.8
81.07061	12.9
82.06566	2.8
83.08622	1.6
84.04511	1.3
84.08151	3.5
85.02919	1.7
86.09698	0.6
91.03968	1.2
91.05485	8.8
93.07042	9.4
94.06580	6.3
95.04987	1.8
95.07357	0.5
95.08615	8.8
96.08154	1.8
97.02908	2.0
97.06571	1.0
97.10157	0.4
99.07378	0.4
105.07032	5.8
105.07673	0.5
106.06555	0.8
107.08597	7.6
108.08125	0.7
109.06547	0.7
109.10158	3.7
110.06053	0.6
110.09700	1.1
112.07651	1.7
114.09179	0.8
117.06987	3.0
119.08592	5.5
120.08103	1.1
121.10146	3.9
122.09685	0.9
123.08222	0.5
123.11694	0.8
124.11260	2.5
129.07062	1.3
131.08565	2.9
133.06479	0.5
133.10135	2.7
134.09676	0.9
135.11736	1.6
136.11243	0.9
143.08623	1.4
145.10123	2.7
147.11763	1.6
148.11295	0.6
152.10730	0.9
157.10158	0.8
159.11708	1.1
161.13324	1.0
162.12886	0.6
164.14417	1.8
166.84695	0.5
171.11777	0.8
173.13358	0.8
175.14908	0.5
180.13884	0.8
185.13338	1.1
187.14899	0.6
202.68227	0.5
220.17014	1.5
260.20236	0.7
272.18747	0.5
300.23325	1.3
301.21890	0.5
318.24191	2.6
335.25854	5.7
336.26096	0.6
374.27136	0.7
382.10449	0.5
392.27924	2.4
394.61548	0.5
410.29190	1.0
505.66806	0.5
532.40234	1.5
572.43207	1.0
612.46173	1.0
635.46893	1.0
652.49524	5.2
653.49353	0.6
670.50433	53.6
671.50677	2.9
814.55206	0.7
832.55609	11.3
833.55182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	3.5
60.03194	0.5
61.02652	0.6
61.02932	11.2
62.20770	0.5
62.61913	0.5
65.03918	1.0
67.05510	62.8
68.05830	0.5
69.03422	2.1
69.07074	5.3
69.67241	2.4
69.67650	0.9
71.04978	1.9
71.08638	17.5
73.02113	0.6
73.02930	2.9
79.05482	2.1
81.03424	0.9
81.07066	14.9
83.08624	9.4
85.02912	13.2
85.06538	1.7
85.10189	9.6
89.06027	1.0
91.03960	7.4
91.05493	3.8
93.07047	3.1
95.08050	1.1
95.08617	14.8
97.02897	5.9
97.06528	0.6
97.10194	2.9
99.04447	1.2
103.07612	0.9
105.07056	0.8
107.08593	1.7
109.02885	0.7
109.10164	64.3
111.08081	2.2
111.11706	1.0
111.37286	0.5
115.03894	0.6
119.08582	4.2
123.11694	2.5
127.03921	3.4
137.09621	2.5
142.76630	0.6
143.76289	0.6
145.04971	3.8
151.14868	0.7
155.10669	3.8
163.06041	2.7
173.11758	19.0
180.72900	0.5
184.07327	1.1
229.14374	100.0
230.14719	2.3
239.23679	2.2
257.24649	1.4
259.11124	0.6
304.74338	0.7
313.27383	83.1
314.27747	3.3
467.37384	69.9
468.37927	3.7
497.99060	0.8
791.39630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.8
67.05510	49.4
69.07076	16.3
69.25185	23.5
71.09865	2.5
77.03893	2.5
79.05498	47.3
81.07063	45.4
83.04975	3.5
83.08611	9.0
85.02879	3.5
91.05487	53.4
93.07047	47.8
95.04987	7.4
95.08607	37.4
97.02906	3.9
97.06572	3.4
97.10176	6.2
105.04464	2.4
105.07037	46.9
107.08602	31.5
109.10161	15.2
111.73346	3.3
115.05450	3.7
117.07008	21.2
119.06324	2.6
119.08590	27.7
121.10147	20.9
123.04325	2.5
123.11736	5.0
128.06216	4.7
129.07018	18.7
130.07829	3.4
131.08571	32.8
132.84186	3.0
133.10162	27.6
135.11705	11.4
139.11147	2.4
141.06992	7.9
142.07710	3.6
143.08557	16.1
145.10150	30.6
147.11694	18.2
149.13300	5.9
155.08569	9.8
157.10135	20.7
159.11694	16.7
161.13261	9.3
163.14861	3.1
167.08505	4.2
169.10129	12.3
170.72508	3.5
171.11642	17.4
173.13251	11.1
175.14848	4.8
179.08559	2.8
181.10138	3.5
183.11691	16.0
184.07394	3.0
185.13246	12.3
189.16373	3.8
195.11736	6.1
197.13287	10.1
199.14844	6.2
201.16470	4.9
203.17906	2.6
207.11691	3.2
209.13330	5.7
211.14803	5.9
213.16441	6.5
225.16336	3.4
237.16411	5.3
239.18091	3.6
257.19144	5.4
259.20709	7.9
263.18066	3.2
311.23700	3.9
323.23886	3.0
333.24277	5.7
421.31534	3.2
427.01215	3.5
489.26218	3.2
489.33615	3.0
517.40204	9.2
535.41400	6.2
539.37219	4.6
591.43970	8.4
609.45154	100.0
610.46021	7.3
735.48016	3.1
771.50116	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51830	1.2
61.02915	2.3
64.10019	1.4
65.03929	5.6
67.05511	88.9
69.03430	10.9
69.07069	28.0
70.38978	2.9
70.39349	2.8
71.01331	1.6
71.04998	6.4
73.02921	2.3
77.03893	1.7
79.05499	71.9
79.16832	1.4
81.03422	11.3
81.07063	100.0
83.04988	9.5
83.08633	14.2
85.02902	4.6
85.06538	3.7
88.08557	1.3
91.05486	51.9
93.07052	84.5
95.04973	13.1
95.08614	56.8
95.09126	1.0
95.09237	1.9
97.02873	4.7
97.06532	13.6
97.10172	5.9
98.32208	1.4
99.04433	1.9
99.08092	2.9
102.80830	1.3
104.48296	1.3
105.04550	1.2
105.07040	42.8
107.04942	6.1
107.08601	44.3
109.06519	6.5
109.10176	22.2
111.08051	4.2
111.13349	1.3
117.07025	18.7
119.08585	30.2
121.06487	3.6
121.09322	1.9
121.10153	26.2
123.04465	1.3
123.08055	4.1
123.11747	9.0
125.09597	2.4
127.03886	2.2
128.06181	2.6
129.05484	1.9
129.07013	5.5
131.08585	23.5
133.10146	22.7
135.08057	3.6
135.11705	18.9
137.09648	5.0
141.06935	2.1
142.07855	1.5
143.08551	6.6
145.06450	1.9
145.10146	19.4
147.07996	2.4
147.11707	11.1
149.09599	8.6
149.13266	13.2
151.11172	1.6
153.12767	1.9
155.08604	2.0
157.10114	5.8
159.11705	16.0
161.13263	5.9
163.11095	6.4
163.14818	3.2
165.12730	1.5
169.10110	3.3
171.11676	5.1
173.04483	2.2
173.11975	1.5
173.13287	7.3
175.14813	2.7
177.12738	3.9
181.12263	1.3
183.11772	2.8
185.13268	3.4
187.11249	1.9
187.14738	3.6
195.13814	5.5
199.14815	2.3
201.16336	2.5
227.12816	1.8
229.14323	1.9
229.19440	2.2
239.17969	3.7
243.21201	2.4
245.40675	1.3
247.20589	1.5
255.15836	9.7
257.19028	10.4
259.20685	2.2
261.22186	11.8
267.15823	1.8
269.14838	2.2
269.17502	22.0
275.20093	26.3
277.21878	1.8
291.19540	2.2
293.21201	1.9
309.20554	3.3
317.24747	4.6
331.22736	1.8
335.25827	89.8
336.26169	1.7
349.23764	19.8
351.25323	1.4
367.25064	3.8
413.21771	1.9
425.55829	1.6
427.80774	1.6
489.36050	2.3
515.37341	13.6
529.38879	54.9
530.39191	2.7
569.42035	6.5
609.45154	22.1
627.46704	6.5
673.43286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
58.43555	0.8
61.02931	5.2
67.05516	4.9
69.03435	3.2
69.07054	2.9
71.56901	1.1
73.02923	3.3
79.05483	5.1
81.03446	1.2
81.07061	3.6
85.02932	4.5
91.03967	3.2
91.05488	4.9
93.07049	5.6
95.08613	3.3
97.02920	4.9
101.02390	1.5
105.07023	1.9
107.05024	0.9
107.08613	2.5
109.02912	1.1
109.10130	1.3
116.79612	1.0
119.08608	2.2
121.10159	2.3
123.11713	0.9
124.99980	0.9
127.03903	1.4
127.50623	1.0
133.10162	1.9
135.11714	2.3
184.07399	4.1
185.04291	1.2
190.82549	0.9
206.93971	1.0
243.08395	2.1
318.45572	0.9
372.22507	1.2
375.03845	0.9
519.29272	9.0
535.29016	3.9
625.60254	1.2
680.10309	1.2
769.06854	1.3
813.51239	100.0
814.51453	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	818.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.9
57.07084	2.3
63.01973	2.0
67.05508	36.7
69.07072	9.4
71.06431	2.0
75.65982	1.7
79.05493	19.2
81.07060	33.2
83.08625	6.9
91.05470	12.9
93.07041	25.7
95.04964	3.6
95.08615	26.5
97.10155	1.6
105.07043	12.1
107.08592	16.2
109.10168	15.8
117.07018	5.2
119.08608	8.9
121.10164	13.6
123.11708	6.7
125.44622	1.8
129.02774	1.7
131.08546	8.7
133.10123	11.7
135.11725	9.4
145.10121	7.4
147.11716	6.8
149.13264	7.3
159.11702	6.4
161.13255	5.2
163.14865	3.0
173.13249	6.8
175.14790	4.2
177.16389	2.1
187.13103	1.6
187.14873	2.5
190.17918	1.8
206.10257	1.9
241.19664	2.8
243.21077	4.5
251.20134	1.7
259.20602	6.8
261.22168	17.6
317.24631	2.2
333.24371	5.3
335.25809	100.0
336.26053	2.5
337.27426	7.3
372.87631	1.8
406.10110	1.8
595.47101	12.6
613.48254	9.8
647.73901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	2.1
57.03438	22.6
57.07072	1.9
61.02922	3.6
65.03933	4.1
67.05504	82.7
69.03416	3.3
69.07067	21.6
71.04985	3.2
71.56566	1.7
75.04459	1.3
79.05495	63.4
80.55244	1.3
81.03418	2.5
81.07057	80.4
83.04984	4.3
83.08619	10.1
85.02889	5.1
85.06529	3.7
91.05482	47.6
93.07043	70.3
95.04975	7.3
95.08607	57.6
97.02889	3.7
97.06519	4.4
97.10162	5.4
99.08091	3.8
105.07033	42.0
107.08595	39.2
109.06508	4.8
109.10157	21.1
111.08044	2.7
115.05466	1.9
117.07011	15.0
119.07790	2.6
119.08582	32.2
121.06598	1.5
121.10146	33.7
123.08073	3.8
123.11686	5.4
125.09639	3.0
127.03916	1.4
129.06976	6.8
131.08556	19.7
133.09242	1.1
133.10135	25.9
135.11690	21.2
137.09647	2.2
137.13245	2.1
143.08556	6.2
145.10115	19.3
147.11685	20.2
149.13248	11.0
151.11183	2.2
157.10124	5.7
159.11691	13.2
161.13275	14.5
163.11241	1.8
163.14845	3.2
171.11699	6.0
173.13277	9.7
175.14827	6.0
179.14319	1.8
185.13268	6.0
187.14835	10.4
199.14920	2.9
201.16432	2.9
203.17920	1.9
205.15938	2.4
221.19089	2.2
225.16168	1.9
226.10765	1.4
231.21034	2.2
239.17934	1.7
241.19540	7.6
257.18970	2.3
259.20551	23.0
261.22189	5.6
263.24695	1.2
277.21658	15.7
293.21167	1.8
315.23267	1.6
331.22733	1.4
333.24210	14.6
335.25797	100.0
346.78159	1.3
351.25314	31.5
529.39136	3.3
553.42810	1.7
585.50153	1.4
593.45227	3.3
611.46674	34.2
612.46545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
88.75716	0.2
91.52533	0.2
97.12322	0.2
98.20725	0.4
112.25073	0.2
140.13976	0.2
165.07007	0.4
176.06137	0.3
177.06990	2.4
178.07681	0.2
179.08638	0.3
189.06960	0.4
191.08537	0.6
194.07259	1.3
203.81706	0.2
204.05649	0.2
205.06503	12.1
206.07109	0.7
207.08058	1.3
209.09627	0.2
217.06445	0.3
219.04443	0.3
219.07973	0.9
221.06165	0.2
222.06763	4.2
223.07436	0.2
223.35709	0.2
223.42747	0.2
224.08275	0.4
233.05981	12.6
234.06787	0.9
235.07539	3.7
236.08199	0.6
236.29318	0.2
237.09120	21.2
238.09427	0.5
239.10632	0.2
247.07477	0.4
250.06287	2.4
251.06979	0.6
252.07703	1.2
252.58923	0.2
253.08662	0.2
263.07056	2.3
264.07849	3.4
265.08609	54.9
265.95117	0.2
266.08975	1.3
267.10208	0.2
280.07382	2.1
280.10553	0.4
295.09665	100.0
296.09991	2.8
311.12689	0.3
312.12320	35.8
313.12653	1.2
404.56937	0.2
466.82556	0.2
727.11249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	7.2
57.50819	2.7
61.02931	3.1
65.71845	2.7
67.05509	34.0
67.50581	2.5
68.47816	2.6
69.07058	6.6
69.40737	2.8
71.55836	3.4
79.05501	19.8
81.07066	37.2
83.08607	3.5
85.02965	3.8
91.05474	11.3
93.07051	26.2
95.08618	24.6
97.02892	3.9
97.06521	3.5
105.07018	5.3
107.08606	13.8
109.10159	11.2
114.36718	2.6
117.07008	4.6
119.08615	6.3
121.10147	9.7
123.11688	4.7
123.54028	2.5
131.08534	7.5
133.10161	7.0
135.11702	8.2
145.10118	4.4
147.11711	5.8
148.20578	2.6
149.13274	4.8
159.11693	4.8
161.13315	5.5
173.13310	5.3
175.14796	3.6
243.21120	4.9
259.20541	5.7
261.22159	14.4
317.25107	3.4
333.23856	3.0
335.25848	100.0
391.79208	2.8
548.61066	3.0
595.47205	13.4
613.47882	5.0
818.84509	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	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.9
65.03948	6.4
67.05511	93.4
69.03436	5.3
69.07070	26.8
69.26917	35.0
72.83353	3.0
76.67786	3.5
79.05501	88.2
81.07067	100.0
83.08615	13.1
85.06544	5.2
91.05489	86.1
93.07056	94.0
95.04968	10.8
95.08618	71.1
98.21522	6.9
105.07043	80.9
107.08605	51.0
109.10169	36.2
111.08058	4.7
115.05478	3.5
116.25643	3.6
117.07041	25.7
119.08598	68.4
121.10175	38.5
123.08067	5.7
123.11707	11.9
129.06998	8.7
131.08582	35.7
133.10150	58.7
135.08134	3.5
135.11720	20.5
143.08554	12.9
145.10155	35.4
147.11705	47.2
149.13223	13.8
157.10136	10.9
159.11688	31.3
161.13269	27.7
163.14767	8.9
171.11769	17.0
173.13242	20.3
175.14880	12.5
183.11726	6.0
185.13283	13.1
199.14865	6.6
213.16528	4.9
225.16344	3.6
231.21071	5.9
241.19550	26.1
257.19009	6.7
259.20609	57.3
261.22241	13.7
315.23343	7.2
316.11627	4.4
333.24234	46.7
335.25845	89.5
337.27289	6.8
519.42505	5.9
593.45612	10.9
611.46631	48.8
612.46655	5.7
753.49200	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	794.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.4
57.07076	8.1
61.02912	5.4
62.85384	1.1
65.03931	4.8
67.05508	100.0
69.03420	2.3
69.07072	32.3
71.04964	5.1
71.05306	1.1
71.08627	3.0
73.02906	1.4
79.05496	51.8
81.07061	99.0
83.04996	2.4
83.08162	1.3
83.08632	23.1
85.02893	4.3
85.06546	3.8
87.04452	4.3
91.03964	3.0
91.05486	30.4
93.06479	2.8
93.07051	51.4
93.69211	1.3
95.04967	3.8
95.08611	75.6
97.02891	3.5
97.06528	4.8
97.10160	7.4
99.08096	2.8
105.07036	23.7
107.07866	1.7
107.08599	29.5
109.06518	1.7
109.10159	32.2
111.08083	2.7
117.07029	6.2
119.08591	20.9
121.10150	27.9
123.08095	2.1
123.11705	12.9
125.09657	1.5
129.06950	1.2
131.08566	11.6
133.10143	17.7
135.11685	14.6
137.09659	1.8
137.13266	3.8
139.11266	1.9
143.08543	1.8
145.10132	9.1
147.11690	13.1
149.13298	8.5
151.11127	1.9
151.14822	1.6
157.10094	2.6
157.26582	1.4
159.11696	5.9
161.13268	10.3
163.14862	6.5
165.16402	1.5
171.11682	1.6
173.13255	5.4
175.14822	3.1
177.16348	2.2
179.10707	1.2
184.07358	1.4
185.13243	1.7
187.14822	3.9
203.17888	1.8
233.22534	1.6
241.19627	2.2
243.21136	7.8
245.22694	3.1
259.20633	5.1
261.22168	20.8
263.23764	4.8
317.24689	5.7
319.26535	1.9
330.86337	1.3
333.24200	4.1
335.25815	83.8
336.26126	2.9
337.27386	93.4
338.27737	2.0
339.29065	6.5
355.29654	1.2
523.44910	3.8
533.99670	1.3
541.45801	1.7
597.48761	30.8
598.48944	1.5
615.49902	21.3
679.96857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
61.02928	6.5
61.50243	0.4
61.55342	0.6
63.17839	0.4
67.05510	6.5
69.03425	3.6
69.07076	1.1
70.40314	0.8
70.40684	1.5
71.05018	0.8
73.02933	3.9
79.05502	4.3
81.03419	1.7
81.07055	5.8
83.01336	0.5
83.08617	0.8
85.02907	5.9
91.03959	3.1
91.05470	2.5
93.04994	0.5
93.07044	4.7
95.04969	0.6
95.08604	5.0
97.02895	4.4
99.04485	1.2
101.02390	1.9
104.50159	0.6
105.07053	1.8
107.08600	2.3
109.02888	1.1
109.10178	1.9
119.08604	1.4
121.10180	2.1
123.11772	0.9
127.03925	1.4
131.08607	1.2
133.10207	1.3
135.11748	0.9
135.70290	0.6
145.10115	0.6
149.13356	0.5
205.15952	0.4
222.18793	0.4
243.08562	1.3
519.29352	13.1
629.61389	0.6
797.51776	100.0
798.52338	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	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05266	0.9
55.05517	14.9
57.03446	10.9
57.07064	2.5
61.02928	2.3
61.32448	0.7
65.03928	2.4
67.05509	55.1
69.03441	1.7
69.06727	1.2
69.07072	15.3
70.81326	2.0
71.04987	2.5
76.67866	0.7
79.05499	37.8
79.05966	1.8
81.03413	0.8
81.07064	58.0
83.04996	1.2
83.08621	6.1
85.02881	2.1
85.06542	1.6
91.05487	22.4
93.07053	44.2
95.04952	4.1
95.08616	46.5
97.02870	1.4
97.06506	2.0
97.10161	2.5
99.08092	0.8
105.07042	17.8
107.08600	22.4
109.06506	2.0
109.09471	1.1
109.10167	18.2
111.08105	1.7
117.07030	5.4
119.08597	13.4
121.09313	1.5
121.10150	19.3
122.88297	0.8
123.11723	7.9
125.09653	0.8
129.05513	0.9
129.07013	1.9
131.08586	12.7
133.10138	12.6
135.11699	13.6
137.09616	1.0
137.13258	2.1
137.62923	0.8
139.11307	0.8
143.08560	1.7
145.10153	8.3
147.11710	9.8
149.13251	8.3
157.10139	2.0
159.11707	9.0
161.13278	8.1
163.11176	0.8
163.14830	4.2
171.11693	2.1
173.13258	6.4
175.14873	3.6
177.16365	1.0
185.13292	1.0
187.14815	3.2
189.16417	1.1
191.18080	0.9
199.14835	1.6
201.16412	1.9
214.59946	0.7
231.21117	1.3
233.22778	1.2
241.19606	3.4
243.21127	5.5
257.19009	0.9
259.20593	5.9
261.22189	18.8
263.23694	2.0
315.23483	0.9
317.24826	4.9
333.24234	5.1
335.25815	100.0
336.26163	3.7
337.27423	7.9
384.48441	0.9
449.42249	0.8
516.39191	1.0
521.43805	1.2
595.47211	13.4
613.48218	9.0
722.26843	1.0
804.45886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66231	0.3
70.05931	1.7
75.29420	0.3
91.14275	0.3
98.20910	0.4
99.00480	0.3
117.20291	0.4
165.07013	0.5
176.06273	0.4
177.07022	2.4
178.07730	0.4
179.08485	0.6
189.06956	0.7
191.08528	0.6
194.07213	1.5
203.35759	0.3
205.06509	12.7
206.06958	0.9
207.08038	1.6
217.06381	0.4
219.08041	0.9
222.06760	4.7
223.07286	0.4
224.08260	0.4
227.10512	0.3
233.05977	12.7
234.06609	1.4
235.07544	4.1
237.09122	21.7
238.09444	0.9
250.06197	2.6
251.06935	0.6
252.07712	1.3
263.06937	2.5
264.07816	3.6
265.08612	53.6
266.08972	1.5
267.09933	0.4
279.06537	0.7
280.07391	2.1
280.10196	0.3
281.07962	0.7
295.09671	100.0
296.09967	3.2
309.07535	0.5
311.12567	0.4
312.12320	35.1
313.12833	0.7
347.84103	0.4
366.46329	0.4
730.26825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.25
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13479	0.4
74.40025	0.3
82.92147	0.3
85.02905	0.5
91.09821	0.4
98.21500	1.1
127.37474	0.4
147.94075	0.3
153.01782	0.3
165.07068	0.6
179.08556	0.6
183.46034	0.4
189.06979	0.4
191.08418	0.7
194.07224	0.8
205.06479	1.7
207.08023	0.9
209.09518	0.5
210.06703	0.5
216.06178	0.3
219.07935	0.6
220.08815	0.5
221.05984	0.8
221.48587	0.3
222.06683	1.8
223.07358	0.4
225.09061	1.4
229.05009	0.5
233.06029	3.6
234.06607	0.5
235.07545	1.3
236.08324	2.3
237.09114	13.5
238.06252	0.4
238.09514	0.7
242.19809	0.4
247.07535	1.0
248.08348	0.9
249.05455	1.4
249.09157	1.5
250.06329	0.5
251.07115	0.6
251.10646	2.1
252.07924	0.7
252.10898	0.4
253.08615	6.5
263.07117	2.3
264.07813	2.2
265.08609	42.2
266.06183	0.4
266.09024	2.7
267.06500	1.0
267.10049	1.5
268.07056	0.4
268.11121	0.6
279.10172	3.4
280.10956	65.9
281.04913	0.7
281.08136	29.8
281.11258	2.9
282.08655	2.5
295.09695	11.0
296.10434	43.6
297.10547	1.9
303.05020	8.9
311.12784	100.0
312.12692	7.0
328.15439	35.8
329.15805	1.8
628.86945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12675	0.3
67.38344	0.3
69.78071	0.8
69.78458	0.7
71.19925	0.3
83.12804	0.3
85.02893	0.6
103.80981	0.3
145.48875	0.3
165.07024	0.4
166.07719	0.3
176.06212	0.5
177.07016	3.0
179.08563	0.8
189.06967	0.5
191.08495	0.7
194.07291	1.8
204.05650	0.4
205.04576	0.7
205.06509	12.4
206.07054	0.6
207.08073	1.3
208.08952	0.5
217.06421	0.4
219.08078	0.8
221.05951	0.5
222.06802	4.6
223.07626	0.6
224.08293	0.5
233.06012	11.5
233.08348	0.6
234.06636	1.2
235.07545	3.8
237.09137	20.9
238.09460	0.6
239.10715	0.3
246.06541	0.4
247.07567	0.4
250.06284	2.6
251.07034	0.8
252.07910	1.2
263.07117	1.8
264.07864	3.5
265.08624	47.6
266.09027	1.2
279.06720	0.5
280.07446	2.2
280.10468	0.5
281.08005	0.5
295.09677	100.0
296.09946	3.3
312.12323	31.3
313.12622	1.0
317.06525	0.4
318.37985	0.3
319.07077	0.4
326.13809	0.5
351.30167	0.3
378.31674	0.4
460.79025	0.4
500.22650	0.4
522.10162	0.3
565.30975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85703	0.2
60.02478	0.2
61.02898	0.6
68.99789	0.3
70.06579	0.5
70.14674	1.0
79.87063	0.3
85.02881	0.8
88.86698	0.3
89.97485	0.2
92.91254	0.3
98.20857	0.4
139.05502	0.3
153.01814	0.7
165.06908	0.7
176.06090	0.3
177.06990	3.2
178.07646	0.3
179.08551	1.0
184.85579	0.3
189.07014	0.9
191.08556	0.9
193.06479	0.6
194.07271	2.0
195.08043	0.3
205.06500	14.8
206.07076	0.8
207.08015	1.5
209.09818	0.4
217.06516	0.4
219.08133	0.6
221.06007	1.8
222.06763	5.7
222.08900	0.3
223.07547	1.5
224.08252	0.6
233.05983	14.4
234.06683	1.1
234.95804	0.3
235.07533	5.8
236.08217	0.6
237.09113	22.2
238.09457	0.5
247.07680	0.3
249.05511	1.0
250.06253	2.3
251.07088	2.2
252.07813	1.6
257.04422	0.4
263.07043	3.7
264.07813	3.8
265.08603	50.5
266.05930	0.3
266.08939	1.7
266.11526	0.3
274.04837	0.6
279.06509	7.2
280.07272	2.8
285.03873	0.4
287.05511	0.4
293.08243	0.3
295.09662	100.0
296.10004	3.5
302.04178	1.5
309.07578	13.2
312.12314	28.1
313.12585	0.9
317.06573	15.8
318.06979	0.7
326.10187	2.5
334.39316	0.3
360.58029	0.3
521.46655	0.3
622.79736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63350	1.4
55.05516	14.6
56.05024	7.3
57.03426	7.5
57.07067	1.6
60.08158	6.4
61.02918	2.5
65.03927	2.1
67.05511	51.3
67.05870	2.8
69.07065	13.3
70.06583	2.9
70.77217	4.8
71.04966	1.5
71.07368	3.2
73.87685	1.6
79.05069	2.2
79.05495	37.4
81.06583	3.0
81.07060	57.4
83.04973	1.6
83.08649	8.0
85.02911	1.9
85.06565	2.0
86.09713	28.5
91.05487	23.4
93.06477	3.4
93.07047	40.0
93.07624	2.9
95.04961	3.5
95.08612	49.8
97.06512	2.3
97.10156	2.1
98.98466	5.2
99.08046	2.9
105.07028	18.2
107.08599	26.5
109.06542	2.0
109.10159	17.7
111.08045	2.0
116.07100	4.0
117.07024	3.4
119.08572	14.6
121.10151	18.2
123.08049	2.0
123.11670	6.0
125.00002	22.1
129.06947	1.8
131.08566	9.6
133.10139	15.1
135.11667	12.3
137.13158	1.7
145.10139	11.1
147.11682	10.2
149.13313	7.7
159.11693	7.5
161.13234	5.3
163.14914	2.5
171.11639	3.5
173.13274	5.9
175.14783	2.4
180.77457	1.7
184.07350	100.0
187.14856	4.6
229.19571	3.0
241.19609	1.7
243.21101	2.7
245.19049	3.8
247.20529	5.4
259.20618	3.1
261.22095	6.9
277.18042	2.1
303.23004	1.7
316.26303	1.6
319.22559	2.5
321.20673	3.2
321.24252	43.9
322.24274	1.8
323.25790	2.9
333.24380	2.5
335.25812	51.1
337.27225	3.9
344.32880	1.7
581.45697	15.7
599.46716	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	780.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.6
55.05513	7.4
61.53574	0.3
69.07064	0.5
69.23037	2.8
70.06600	0.7
81.07043	0.3
82.06574	1.9
83.04977	0.5
83.08622	6.3
84.08150	0.3
85.06526	0.4
97.89377	0.3
98.09686	0.7
100.07611	2.5
100.11260	42.4
101.11594	0.5
101.26775	0.3
110.06036	1.6
111.04448	3.6
112.07617	0.9
117.13915	0.5
126.02663	0.3
126.09200	0.9
127.08657	1.5
128.07082	2.8
139.08656	2.2
140.07082	1.8
147.11667	0.3
164.14394	0.6
182.15411	13.1
192.13892	0.5
205.06563	0.7
209.16502	17.8
210.14903	16.2
225.09206	0.5
226.19173	4.9
227.17484	1.5
228.16051	1.6
233.06042	1.2
235.07613	0.5
236.08427	0.8
237.09125	2.8
247.07640	0.4
249.09122	0.5
253.08621	1.2
263.07089	0.5
264.07663	0.4
265.08594	11.8
266.09064	0.9
267.06726	0.4
279.10162	0.6
280.10956	13.9
281.08099	7.4
281.11096	0.4
282.08670	0.8
295.09644	5.7
296.10403	9.8
297.10526	0.8
308.27032	0.9
311.09140	0.6
311.12772	12.5
312.12332	2.3
326.28024	2.8
328.15387	4.1
335.24478	0.7
336.22800	3.3
435.33316	11.9
436.33328	0.4
453.34381	100.0
454.34680	4.7
605.62439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05516	42.2
56.67979	1.3
57.03441	16.6
57.07069	2.5
59.04986	3.6
61.02926	2.6
65.03932	3.5
67.05509	100.0
69.03418	2.5
69.06723	1.5
69.07078	19.0
71.01340	1.8
71.05006	6.3
71.55207	1.7
77.03926	1.4
79.05499	48.1
81.03416	5.3
81.07064	66.8
83.04982	7.0
83.08630	13.7
85.02499	1.3
85.02912	14.8
85.06568	2.3
85.23434	1.4
87.04480	3.9
91.03952	1.6
91.05482	28.2
93.06479	2.3
93.07053	41.2
95.04995	5.7
95.08617	41.9
97.02884	2.8
97.06519	4.5
97.10180	19.7
101.53319	1.1
105.07040	18.9
107.04947	2.7
107.08606	28.6
107.68273	1.2
109.06532	2.6
109.10164	51.8
110.10510	1.2
111.04457	1.5
111.08022	2.9
117.07017	9.3
119.08594	17.2
121.06488	2.1
121.10161	19.1
123.08051	2.6
123.11686	4.7
125.09632	15.3
129.07027	2.3
131.08562	13.3
133.10167	9.9
135.08075	1.9
135.11697	12.7
137.09605	2.9
143.08527	3.1
143.10681	2.9
145.10127	11.9
147.08009	2.1
147.11659	5.8
149.09569	2.1
149.13307	6.7
155.08585	2.4
155.10641	2.9
157.10118	4.0
159.11720	9.1
161.09630	1.7
161.13235	6.1
163.11198	4.5
163.14804	2.8
169.10165	2.6
171.11700	3.0
173.11725	12.6
173.13243	4.6
175.14934	1.7
183.11745	1.8
184.07349	1.5
185.13269	2.2
187.14807	1.9
193.12224	1.7
199.13275	9.4
199.14845	1.6
209.11757	1.8
211.11191	1.3
217.14310	1.5
227.12807	4.7
229.12178	3.1
229.14372	39.8
233.15201	1.2
243.21104	2.8
259.20502	2.5
261.22095	13.5
267.15900	3.5
271.83585	1.3
277.21768	1.2
283.15546	1.8
289.21524	1.4
299.23788	1.3
301.16449	12.3
317.24524	1.9
335.25827	75.0
336.26181	2.1
346.69797	1.2
361.24432	1.3
363.25232	1.6
462.28229	1.2
477.35913	9.7
489.35797	14.3
543.36780	2.2
561.37695	4.8
579.38861	1.6
776.40228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.0
55.05515	41.8
57.03440	16.4
57.07066	4.0
59.04988	3.1
59.31100	1.6
60.94226	1.4
61.02919	2.2
65.03932	3.4
67.05509	100.0
69.03416	4.0
69.07073	20.3
69.53366	5.3
69.53797	3.9
70.46659	1.5
71.04984	6.1
74.17484	1.5
77.03903	1.3
79.05497	53.6
81.03425	6.1
81.07063	67.3
81.74062	1.3
83.04967	5.8
83.08620	17.9
85.02491	1.5
85.02914	13.9
85.06559	3.1
87.04479	8.0
91.05483	30.2
93.07049	44.9
95.04995	7.6
95.08611	48.7
97.02889	3.4
97.06525	5.5
97.10172	24.1
99.08131	1.4
100.62402	1.6
103.03954	1.5
105.07039	18.2
107.04964	2.3
107.08596	30.5
107.20796	1.3
109.06519	3.0
109.10160	47.9
111.04466	1.3
111.08099	4.2
117.07018	10.1
119.08577	22.3
121.06509	3.0
121.10152	23.2
123.08031	1.8
123.11705	5.8
125.09632	22.3
125.10511	1.1
129.07001	3.7
131.08582	14.1
132.27190	1.2
133.10124	13.4
135.08037	3.8
135.11711	15.8
135.90971	1.5
137.09587	3.0
139.11171	1.9
143.08536	4.0
143.10683	3.3
145.10153	13.3
147.07999	1.7
147.11703	8.2
149.09636	3.0
149.13235	5.7
153.12796	1.9
155.10695	2.9
157.10146	5.4
159.00920	1.4
159.07861	1.7
159.11697	10.3
161.13274	5.3
163.11195	6.1
163.14787	3.0
169.10124	1.4
171.11697	3.5
173.11734	11.2
173.13263	6.2
175.07285	1.4
175.11192	3.3
175.14835	2.9
177.12766	1.7
181.12215	1.6
183.11687	2.8
184.07381	1.4
185.13301	2.8
187.14847	3.5
189.11270	1.8
189.12759	1.4
191.10558	2.3
193.12195	2.4
195.11687	1.6
199.11560	1.9
199.13286	11.0
203.12709	1.6
209.11601	2.7
215.17957	1.5
217.14345	1.6
227.12788	8.0
229.12141	3.3
229.14374	37.3
237.00687	1.5
241.19536	1.7
243.21086	4.9
245.13788	2.2
257.13882	2.0
259.20596	3.4
261.22177	13.6
267.15863	3.7
267.89560	1.4
277.21695	2.7
283.15311	2.2
301.16492	19.0
315.23047	1.9
317.24396	1.9
335.25818	71.6
336.26242	2.6
344.73981	1.4
345.24023	1.5
363.25232	1.9
477.35730	12.5
489.35721	14.1
543.36658	3.0
561.37781	11.7
579.38483	5.2
693.83215	1.4
706.30469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
55.05516	39.4
57.03445	16.1
57.07067	2.5
59.05000	2.9
59.21296	0.9
61.02926	3.0
65.03939	4.1
67.05511	100.0
69.03439	2.4
69.07072	16.1
71.01373	1.3
71.04993	4.5
71.56180	1.8
79.05500	50.6
81.03422	6.7
81.07065	59.4
83.04990	5.7
83.08633	13.5
85.02440	1.0
85.02923	14.8
85.06550	3.6
87.04485	5.4
91.03960	1.5
91.05486	25.9
93.07053	36.0
95.04961	5.8
95.08613	36.9
97.02888	2.7
97.06544	4.0
97.10177	18.5
101.07299	1.0
103.03966	1.5
105.04569	1.3
105.07038	16.5
107.04987	2.0
107.08602	26.3
109.06531	2.6
109.10169	51.5
111.08088	4.1
115.05455	1.3
117.07032	5.4
119.08589	15.8
121.10153	19.5
123.08091	2.9
123.11720	5.7
125.09640	14.2
129.07080	2.2
131.08589	12.6
133.10138	9.7
135.08150	1.2
135.11726	9.8
137.09619	3.3
142.56482	1.0
143.08614	2.4
143.10704	2.5
145.10165	8.9
147.07976	1.3
147.11705	6.1
149.09630	1.4
149.13301	4.1
155.08647	1.7
155.10728	1.4
157.10120	4.6
159.11732	6.0
161.13263	3.0
163.11221	4.5
163.14766	2.6
169.10091	1.1
171.11653	2.5
173.09598	2.0
173.10307	1.2
173.11761	12.6
173.13309	4.3
175.11343	1.1
175.14922	1.5
181.10217	1.0
181.12257	2.6
185.13165	1.7
187.14899	2.5
189.11263	1.9
193.12238	1.7
199.13316	8.8
201.16330	1.3
209.11780	1.8
211.13245	1.4
222.07184	1.0
227.12819	3.9
229.14365	33.0
243.21054	2.9
254.33421	1.0
256.88022	1.1
259.20648	1.5
261.22095	11.1
267.15897	2.9
271.20721	1.1
277.21680	1.3
283.15320	1.9
293.43518	1.1
301.16486	11.7
315.23221	1.7
315.32904	1.1
317.24573	1.4
335.25812	54.4
336.26205	2.1
477.35727	7.0
489.35770	11.4
543.36237	1.3
561.37872	4.8
568.82391	1.5
605.50964	1.1
688.18713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	0.4
71.55512	0.3
85.02893	0.3
89.80588	0.2
91.03914	0.2
97.62884	0.2
107.04965	1.6
115.79436	0.2
135.04382	0.3
137.02257	0.4
143.04793	0.2
153.01871	0.3
155.66109	0.2
165.06946	0.5
166.07799	0.3
177.06996	3.0
178.07687	0.2
179.08545	0.8
181.06451	0.2
181.10165	0.3
189.06972	0.6
191.08595	0.6
194.07271	2.0
195.08139	0.3
205.06488	13.6
206.07034	0.9
207.08105	1.3
209.09613	0.3
217.06454	0.5
219.08017	0.7
221.05873	0.3
222.06752	5.5
222.08939	0.3
223.07260	0.2
224.08249	0.4
229.04987	0.5
233.05980	13.5
234.06714	1.3
235.07530	4.2
236.08281	0.4
237.09106	21.1
238.09416	0.6
239.10747	0.2
250.06277	2.8
251.06932	0.7
252.07846	1.7
257.04483	0.3
263.07062	3.0
264.07779	3.2
265.08600	51.4
266.08884	1.3
266.52164	0.2
267.10217	1.0
279.06412	0.3
280.07196	2.2
284.12796	1.5
295.09653	100.0
296.09985	2.9
303.04980	10.8
312.12302	26.3
313.12735	1.0
356.69287	0.2
429.55789	0.2
455.66440	0.3
535.47437	0.3
579.18427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06124	0.3
70.70202	0.8
103.27641	0.2
119.56483	0.2
153.12166	0.2
165.07033	0.6
176.06281	0.3
177.07040	2.9
179.08588	0.6
181.71017	0.3
189.06990	0.7
191.08540	0.7
194.07245	1.8
204.05721	0.4
205.06502	11.6
206.07039	0.7
207.08070	0.8
209.09663	0.4
217.06512	0.4
219.07967	0.5
222.06760	5.6
223.07260	0.3
232.40697	0.3
233.05986	12.4
234.06586	1.5
235.07574	4.2
236.08185	0.5
237.09113	20.2
238.09489	0.7
247.07623	0.3
250.06265	2.3
251.06985	0.5
252.07794	1.4
263.07098	2.3
264.07840	3.0
265.08615	53.0
266.08893	1.7
280.07309	2.3
295.09668	100.0
296.09995	3.7
303.04993	3.0
312.12314	30.0
313.12631	0.8
348.61539	0.2
549.67688	0.3
601.57361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.6
55.05518	50.1
57.03439	17.0
57.07074	2.1
59.05006	3.4
61.02928	2.7
65.03940	5.1
67.05510	100.0
67.80869	1.3
69.03428	4.1
69.07077	22.1
71.01354	1.7
71.04988	5.1
71.06215	3.2
79.05502	51.6
79.05965	2.7
81.03421	6.8
81.07065	66.0
83.05001	8.6
83.08633	16.4
85.02920	17.8
85.03391	2.8
85.06550	3.6
87.04485	9.9
90.20364	1.4
91.04964	2.3
91.05492	29.3
93.07058	44.8
95.04997	7.2
95.08619	46.0
97.02897	3.3
97.06536	5.8
97.10179	21.7
99.08101	1.8
105.04477	1.6
105.07043	21.9
107.04973	3.6
107.08611	31.4
109.06516	4.2
109.10165	46.1
110.10494	1.5
111.08077	5.4
117.07021	10.1
119.08583	15.7
121.06535	2.1
121.10147	24.4
123.08071	3.2
123.11737	5.2
125.09634	23.7
128.65712	1.4
129.07001	3.2
131.08578	12.0
132.60699	1.3
133.10158	9.5
135.11702	10.9
135.41551	1.3
137.09619	2.1
137.13251	1.6
139.11211	3.3
142.07742	2.1
143.08566	6.2
143.10677	3.4
145.10150	12.1
147.11687	5.9
149.09628	2.0
149.13255	4.7
155.08565	2.0
155.10706	2.2
157.10162	6.0
159.11659	8.9
161.09647	1.5
161.13269	5.4
163.11166	6.5
163.14838	2.6
169.10065	2.0
171.11667	3.3
173.11751	11.0
173.13326	5.7
175.11174	2.5
175.14873	2.3
181.12257	2.5
183.11642	2.1
185.13298	2.2
187.14789	2.5
193.10289	2.7
193.12190	3.6
195.11644	1.4
197.13397	1.9
199.13248	7.8
201.16483	2.3
203.12788	2.1
209.11630	3.3
211.11224	1.6
217.14360	2.0
227.12737	9.8
229.12329	1.5
229.14372	31.3
243.21188	4.9
245.13904	3.8
257.13705	2.1
261.22217	10.9
267.15933	4.1
277.21674	2.7
299.14874	1.9
301.16522	14.8
303.23117	1.9
319.17664	2.9
335.25806	54.4
337.27628	2.6
477.35681	9.1
489.35626	7.0
543.36371	2.7
561.37866	8.1
579.38391	2.8
776.43738	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	773.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
55.05521	29.1
57.03431	11.3
57.07065	6.9
59.66228	2.4
61.02935	16.6
65.03930	5.3
67.05509	98.4
68.82920	2.2
69.03430	9.7
69.07079	27.8
71.04986	9.3
71.56214	3.1
73.02917	5.8
79.05500	86.2
79.44122	2.3
81.03427	9.0
81.06582	5.4
81.07063	96.5
82.07354	2.9
83.04991	6.0
83.08628	15.2
85.02927	15.1
85.06526	3.2
85.52146	2.3
88.52966	2.5
91.03956	6.9
91.05486	86.0
93.07048	86.3
93.07633	4.9
93.67100	2.2
95.04967	7.6
95.08613	72.9
97.02907	13.5
97.06546	5.2
97.10184	8.4
99.04454	3.3
99.08074	3.2
105.04521	2.9
105.07041	68.2
107.04967	3.4
107.08611	48.8
109.06512	6.6
109.10167	29.2
111.04475	2.9
111.08102	5.5
117.07024	27.6
119.08596	64.0
121.10162	38.9
123.08095	3.4
123.11713	9.3
127.03931	2.9
128.06265	3.9
129.07042	13.2
130.07837	2.5
131.08574	40.0
133.06468	3.0
133.10139	43.5
135.08081	4.5
135.11710	28.1
137.09602	4.5
137.13271	2.9
139.11110	3.7
141.07021	6.2
142.07715	3.4
143.08580	26.2
144.09271	4.8
145.06467	3.3
145.10155	37.5
147.08115	3.8
147.11696	36.8
149.13231	15.1
155.08586	6.8
157.10135	21.5
159.08075	2.8
159.11720	33.9
159.27499	2.6
161.09706	3.8
161.13239	26.1
163.11134	3.1
163.14851	9.1
167.08484	3.8
169.08937	2.4
169.10127	14.1
171.11725	19.0
173.13275	19.9
175.14810	20.3
181.10106	5.0
183.11703	10.1
185.13240	16.8
187.14832	11.2
193.10173	4.2
195.11656	6.9
197.13297	6.8
199.11290	2.4
199.14842	8.5
201.12839	3.5
201.16469	5.8
209.13327	3.8
211.14934	4.3
213.16261	5.4
215.18158	2.8
217.16090	3.2
223.14836	4.0
227.17908	2.7
231.21114	4.8
239.18019	2.8
241.19527	27.8
243.21049	4.7
257.19049	8.5
259.20609	45.6
261.22104	14.1
271.20697	3.6
297.21762	3.3
315.23196	3.5
325.21634	3.8
333.24271	38.3
335.25833	83.2
336.26114	6.1
337.27271	3.9
339.23123	2.7
342.45224	2.5
361.16473	2.8
367.22598	5.6
441.26230	3.3
450.90698	2.9
480.37698	2.6
501.35919	2.8
519.41907	7.0
593.45355	7.0
609.44904	5.5
611.46759	100.0
612.46851	6.8
645.35437	2.6
677.47821	4.2
719.47791	4.5
737.49353	5.8
755.50940	5.0
767.38446	2.9
773.51434	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.3
55.05516	36.8
57.03444	15.0
57.07092	4.8
61.02928	16.7
64.86030	2.2
65.03941	6.5
67.05509	97.7
67.05870	5.2
69.03426	9.5
69.07076	28.7
70.27319	2.8
70.27672	7.0
70.96945	2.7
71.04984	6.6
73.02911	7.8
74.93883	2.3
79.05499	86.5
81.03410	7.8
81.07064	100.0
83.04958	4.4
83.08640	14.5
85.02906	15.5
85.06533	6.1
87.09222	2.0
91.03980	5.0
91.05482	78.2
93.07049	94.1
95.04980	12.8
95.08611	73.5
97.02877	13.5
97.06519	6.3
97.10178	5.0
99.08085	5.1
103.05473	3.2
105.07038	73.1
107.04959	3.5
107.08598	53.8
107.09297	3.9
109.06516	4.1
109.10175	29.0
115.05456	5.7
117.07039	25.5
119.08590	65.9
121.06485	3.0
121.10147	41.9
123.08090	5.7
123.11710	9.1
125.09588	2.8
127.03908	3.3
128.06232	4.6
129.05492	3.9
129.07001	20.7
131.08578	43.1
133.06471	3.5
133.10141	50.6
135.08098	3.8
135.11700	31.6
136.56104	2.2
137.09682	2.6
141.06990	6.1
142.07747	2.7
143.08580	20.9
145.06493	2.2
145.10143	41.1
147.07883	2.5
147.11696	44.8
149.09686	4.4
149.13255	16.9
155.08575	9.5
156.09319	2.6
157.10161	20.0
159.11699	29.6
161.09613	2.8
161.13243	33.3
163.14818	7.7
167.08557	3.2
169.10149	7.9
171.11705	23.5
173.13272	25.5
175.11201	2.8
175.14830	14.3
181.10088	6.9
183.11700	11.0
185.13280	18.6
187.14857	9.5
189.12762	3.0
189.16388	5.6
195.11742	3.8
197.13298	8.8
199.14842	10.0
201.16328	3.8
203.14517	3.1
211.14864	5.5
213.16418	5.7
215.17950	3.2
223.14809	2.8
227.18039	4.1
231.21097	4.2
241.19519	23.2
243.21077	6.4
257.18887	11.0
259.20569	59.8
261.22076	11.2
301.21640	6.5
313.21683	3.6
315.23291	4.1
325.21637	2.4
333.24258	41.6
335.25839	91.4
336.26166	2.5
337.27524	5.6
339.23126	3.1
345.24020	2.7
351.25436	4.3
353.28558	3.5
367.22873	2.8
403.24765	3.5
492.71155	2.4
515.65454	2.5
519.41931	4.7
593.45428	10.4
609.44604	3.6
611.46704	96.7
612.46979	6.6
623.46381	2.6
689.47235	2.7
701.47516	5.5
719.48956	5.5
755.50635	6.6
773.51672	8.7
774.68469	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	771.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05514	12.8
57.03444	4.2
57.07061	2.5
57.38801	0.7
59.04995	0.8
61.02642	1.2
61.02928	14.7
65.03939	1.8
67.05509	22.2
69.03430	6.9
69.07073	10.2
71.01328	1.0
71.04984	2.2
71.55463	1.1
73.02919	6.6
77.03914	1.0
79.05498	16.9
81.03436	3.8
81.07057	21.8
83.04975	3.2
83.08629	5.2
85.02911	11.9
85.06544	1.2
88.08097	0.7
91.03969	7.4
91.05486	12.8
93.07043	17.0
94.07414	0.8
95.04999	4.1
95.08610	19.4
97.02896	11.2
97.06519	2.1
97.10162	2.5
99.04462	1.0
99.08089	0.8
101.02381	2.1
103.05430	1.2
105.07036	14.4
107.04952	2.2
107.08597	9.9
109.06528	2.0
109.10161	8.7
111.08094	2.0
115.03958	0.8
115.05451	1.0
117.07039	8.8
118.78375	0.7
119.08587	13.1
121.10155	6.6
123.08104	1.7
123.11700	2.6
125.09651	1.0
126.31849	0.8
127.03902	1.9
128.06235	3.1
129.07002	10.0
131.08568	15.0
133.10162	9.7
135.08038	1.6
135.11697	3.7
139.11241	1.2
141.06964	4.6
142.07771	3.1
143.08580	11.2
145.10132	12.1
147.08105	0.8
147.11703	5.7
149.13246	2.5
153.06973	1.5
154.07761	2.2
155.08549	8.6
156.09348	1.5
157.10132	11.0
159.08066	1.1
159.11711	9.4
161.09586	0.9
161.13234	4.1
166.07884	1.2
167.08578	5.6
168.09306	1.8
169.08749	1.1
169.10130	13.3
170.10751	0.8
171.11711	9.7
172.47748	0.8
173.09567	0.8
173.13243	6.0
175.11143	1.4
175.14857	2.7
177.09129	1.0
177.12714	0.8
179.08575	1.6
180.09416	1.5
181.10092	7.6
182.10878	1.6
183.11690	12.4
185.13289	6.1
187.14859	3.0
189.16415	1.3
192.09543	0.9
193.10182	3.4
193.39188	0.8
194.10968	1.0
195.11716	7.9
196.12537	0.8
197.13251	9.6
199.14848	5.1
201.16365	1.7
203.17928	0.9
205.10106	1.4
207.11708	3.4
209.13261	6.4
211.11249	1.1
211.14812	6.3
213.16396	2.2
215.17984	1.3
219.11636	1.6
221.13205	4.1
223.14795	5.1
225.16447	4.9
227.17946	2.5
233.13191	1.5
235.14867	2.0
237.16403	3.5
239.17957	2.5
247.14859	1.6
249.16499	1.5
251.17940	2.5
253.19695	1.5
255.21246	0.9
263.17932	0.9
265.19553	1.5
279.21030	1.6
297.22015	1.0
311.23422	1.1
323.23593	1.3
337.25089	2.1
341.24628	1.2
347.23743	0.8
349.25018	1.2
351.26831	1.6
353.60187	0.9
365.28186	1.9
379.29932	1.3
447.32913	1.2
461.33899	1.1
499.39133	1.4
515.37628	1.0
517.40527	6.6
535.41400	2.6
541.38464	1.2
573.43427	1.1
581.42883	0.9
591.44092	8.5
607.43365	3.5
609.45135	100.0
610.45551	6.5
621.44928	1.1
625.42603	1.1
633.45526	1.1
651.45929	1.6
675.45862	1.2
717.46930	1.5
723.67273	1.0
735.48126	1.3
753.48633	2.1
771.50604	19.8
772.50586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	1.2
55.05515	8.7
57.03390	3.5
57.07035	1.6
61.02927	12.3
61.28881	0.5
65.03914	1.1
67.05507	16.6
69.03429	5.7
69.07071	7.5
70.60748	1.4
71.01321	0.9
71.04957	1.2
73.02917	8.8
73.06500	0.6
74.80228	0.5
79.05494	12.1
81.03416	3.3
81.07060	16.2
83.04964	1.2
83.08611	5.2
85.02908	12.6
85.06507	1.2
87.04430	0.8
91.03963	5.5
91.05482	12.1
93.07054	12.8
95.04935	1.3
95.08609	13.8
97.02893	10.3
97.06500	1.7
97.10165	2.7
99.04427	1.2
99.08067	0.6
101.02329	2.1
103.05478	0.6
105.07036	12.2
107.04903	0.6
107.08596	9.0
109.02814	0.8
109.06467	1.1
109.10149	6.6
111.04362	0.8
111.08025	0.8
111.11708	0.6
115.05418	1.3
117.07019	6.9
119.08585	10.4
121.10135	4.9
123.08035	1.0
123.11719	1.2
125.09583	0.7
127.03860	1.7
128.06161	2.2
129.07021	8.7
130.07774	0.5
131.08580	10.5
133.10133	5.9
135.08041	1.0
135.11697	3.3
137.05754	0.5
137.09602	0.9
141.07013	5.3
142.07697	1.8
143.07512	0.6
143.08580	10.7
144.09326	0.8
145.04890	0.6
145.10127	9.8
147.08153	0.6
147.11713	3.7
149.09557	0.7
149.13203	1.5
153.06944	1.3
154.07768	1.3
155.07376	0.8
155.08560	9.1
156.09283	1.6
157.10135	9.6
159.08109	0.6
159.11699	8.0
161.13246	2.7
165.06972	1.1
166.07687	0.8
167.08554	4.5
168.09280	1.7
169.10132	9.6
170.10799	1.0
171.11700	8.5
173.13295	4.6
175.14758	1.7
177.16402	0.6
179.08531	2.3
181.10117	6.9
182.10829	1.3
183.08107	0.5
183.11696	10.8
185.13272	7.3
187.14755	2.2
189.16335	1.0
193.10080	2.3
195.11719	6.6
196.12355	0.8
197.13272	7.6
199.14857	4.4
201.16412	1.3
207.11713	3.1
209.13264	4.7
211.14835	5.7
212.15285	0.6
213.16364	2.3
215.18027	0.8
219.11563	1.1
221.13251	3.0
223.14780	4.6
225.16357	3.0
227.17931	2.0
233.13152	0.8
235.14764	2.1
237.16380	2.5
239.17966	2.1
241.19524	0.9
246.14134	0.6
247.14798	0.7
249.16406	1.6
251.17877	2.0
253.19569	0.7
263.17935	1.0
265.19586	1.2
285.22226	0.7
287.19916	0.6
289.19754	0.6
299.20184	0.9
299.23740	0.6
309.22089	1.3
311.23489	1.0
321.22061	0.6
323.23663	1.1
327.23404	0.6
335.23575	0.7
337.25180	0.7
351.26794	1.3
361.25357	0.7
363.26981	0.6
365.28302	1.0
367.26230	0.6
393.31726	1.0
431.33865	0.6
447.32141	1.0
479.36423	0.7
499.39334	1.5
501.35873	1.0
507.34064	0.6
513.35583	0.7
515.38214	1.0
517.40344	5.2
527.38257	0.8
535.41473	2.5
539.37543	1.3
540.38562	0.6
541.39099	1.5
553.41492	0.7
555.41370	0.7
567.40442	0.7
573.43433	1.3
577.30743	0.6
591.44128	5.5
607.43842	1.7
609.45142	100.0
610.45325	4.7
611.46881	1.2
621.45496	1.2
633.45758	0.6
651.45807	0.7
694.76971	0.6
699.46307	0.8
717.47687	1.3
718.47107	0.6
735.47778	1.3
753.49158	2.2
771.50366	18.0
772.50513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81263	0.4
71.56753	0.5
76.55204	0.3
113.88526	0.3
154.96352	0.3
165.07027	0.4
177.06949	3.2
179.08569	0.7
189.07045	0.6
191.08566	0.4
194.07220	1.8
205.06491	12.7
206.07095	1.0
207.08069	1.4
209.09628	0.3
210.59917	0.3
217.06381	0.4
219.08084	0.6
222.06772	4.7
223.07410	0.6
224.08455	0.3
233.05978	12.8
234.06688	1.0
235.07532	3.7
236.08116	0.6
237.09120	21.3
238.09311	0.7
250.06262	2.4
251.07085	1.1
252.07750	1.6
263.07019	2.2
264.07840	3.2
265.08606	48.2
266.08981	1.4
267.09677	0.5
279.06552	0.5
280.07376	2.7
280.10068	0.4
281.07922	0.7
286.96863	0.4
295.09665	100.0
296.10001	3.6
297.10291	0.8
311.12823	0.4
312.12314	31.9
313.12451	1.0
624.48065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.3
56.85694	0.2
57.07076	0.3
67.05502	0.3
69.07080	0.3
70.06615	0.8
79.05499	0.2
81.07066	0.5
82.06578	2.4
83.04999	0.9
83.08625	7.5
84.08164	0.6
85.06553	0.4
96.08167	0.2
97.06543	0.2
98.09716	1.0
100.07627	2.4
100.11266	51.4
101.11607	0.4
110.06051	2.0
111.04446	4.6
112.07641	1.1
112.11249	0.4
117.13916	1.0
126.09164	0.9
127.08710	1.3
128.07089	3.2
139.08685	3.3
140.07050	1.6
147.11693	0.6
164.14334	0.3
165.07098	0.2
166.15981	0.2
168.13812	0.2
173.18100	0.2
177.06998	0.9
179.08643	0.3
182.15421	15.8
183.15813	0.3
189.06990	0.3
192.13889	0.8
194.07289	0.5
205.06508	3.9
206.07190	0.2
207.08134	0.4
209.16507	19.7
210.14915	18.9
211.15250	0.3
219.08192	0.2
222.06786	1.5
224.08330	0.3
226.19159	6.1
227.17587	1.7
228.16010	1.7
229.35426	0.2
233.05988	4.0
234.06654	0.2
235.07680	1.1
236.08344	0.2
237.09134	6.6
238.09319	0.2
250.06343	0.9
252.07890	0.5
263.07135	0.8
264.07755	1.2
265.08609	12.1
266.08884	0.4
280.07391	0.7
295.09668	16.0
296.10028	0.7
308.27075	0.6
309.25327	0.3
312.12329	3.3
326.28040	3.6
333.30920	0.2
335.24390	0.8
336.22791	3.6
343.30774	0.4
417.32269	0.5
435.33353	11.7
436.33734	0.5
453.34390	100.0
454.34662	4.3
505.12991	0.2
633.06488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34177	0.5
59.37928	0.5
59.87231	0.5
62.87658	0.5
65.03951	2.4
67.05507	0.8
67.55308	0.5
69.03431	0.6
69.07057	0.6
69.60427	2.5
69.60838	1.1
79.05491	1.1
81.03427	0.9
81.07053	0.7
91.05486	42.6
92.05795	0.6
92.83689	0.5
93.07037	0.9
95.04979	10.0
95.08656	0.7
103.05467	1.4
105.07037	2.8
107.04957	1.2
107.08572	0.7
115.05466	3.9
117.07010	1.8
118.04179	0.6
119.04950	27.9
119.08558	0.7
123.04449	2.6
123.08056	0.9
130.04176	0.5
131.04936	1.4
132.05727	3.0
133.06548	2.3
135.04369	0.6
136.05208	5.4
137.06023	3.2
140.04649	0.7
142.04152	0.5
143.04951	1.3
144.05721	1.8
145.06471	3.1
147.04362	1.1
150.06825	0.6
151.07549	100.0
152.07872	1.0
155.07071	2.7
159.04381	0.6
160.05208	4.8
161.06035	3.4
161.59966	0.5
165.05473	0.5
165.22456	0.5
167.07069	3.4
168.10274	0.5
170.03632	1.0
171.04437	1.8
173.06009	2.1
174.03120	1.1
175.03935	0.7
175.07571	1.2
176.07091	1.1
178.08743	3.8
179.08543	1.2
181.04936	2.1
181.06458	0.8
182.08165	0.5
188.04716	2.1
189.05434	0.8
189.06892	1.0
190.06245	1.1
191.07056	1.6
192.04123	0.9
193.08572	0.9
194.08162	8.3
198.03142	5.2
205.06511	1.6
205.08594	1.3
206.07304	2.1
207.06451	0.7
207.08113	2.2
209.06039	0.6
216.04231	3.1
217.06575	0.8
219.06396	4.9
219.08260	0.6
220.03487	0.9
220.05254	1.4
221.05977	1.7
222.06715	0.6
223.81850	0.7
229.05006	1.9
231.06534	53.7
232.06952	1.3
233.06029	2.5
234.06783	5.3
235.07605	4.8
236.07872	0.7
237.05519	1.2
237.09138	1.4
241.03760	2.0
245.05946	0.7
248.04770	2.1
249.05466	1.3
250.06306	1.8
251.07014	1.2
257.04529	0.6
259.04944	0.8
260.04739	0.9
261.05490	1.5
262.06277	6.7
263.07034	12.3
264.07779	1.0
265.05121	2.4
265.08640	2.1
267.10416	0.6
273.07535	0.7
274.07199	7.9
276.04251	0.7
277.05017	0.8
279.06595	3.4
280.07288	1.5
281.08060	0.7
282.08826	0.7
286.07159	1.3
290.05759	4.3
291.06464	2.6
293.04459	1.5
293.07953	1.1
294.08694	3.5
295.09647	1.0
297.07605	1.4
297.11288	1.4
300.08658	1.0
307.06000	2.5
308.06705	3.7
309.07608	1.5
311.09048	0.6
312.09848	0.8
319.11743	5.0
319.29327	0.6
322.04666	1.6
322.08432	1.6
323.09128	5.8
324.09787	0.9
325.07126	1.7
325.10791	1.4
327.08725	1.3
331.11868	1.7
332.15118	1.2
340.09564	1.7
342.11057	1.8
351.08646	23.5
352.09244	0.7
354.07431	0.7
355.11722	3.4
357.13412	2.3
359.14874	1.0
368.08975	0.8
373.12918	0.7
383.11252	59.9
384.11578	1.9
385.12796	1.2
387.10345	0.7
388.17578	2.2
406.12469	0.5
411.10709	6.1
414.15485	3.7
424.13913	64.8
425.14304	2.5
429.11841	10.5
550.20618	7.0
552.22467	0.7
578.12103	0.9
578.20251	9.6
591.22693	1.0
745.29956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.05505	2.4
57.03442	2.2
57.07088	0.9
57.13040	0.8
61.02930	7.3
61.42481	0.8
67.05508	6.9
68.37252	0.8
69.03431	3.7
69.07074	2.2
70.15313	0.8
71.04999	1.9
73.02912	4.7
78.49368	0.9
79.05500	4.6
81.03425	2.5
81.07064	10.0
83.04966	1.3
83.08613	1.1
84.38767	0.8
85.02905	6.8
91.03973	3.9
91.05499	3.7
93.07043	6.8
95.04990	1.8
95.08611	5.9
97.02885	6.7
97.06559	0.9
97.10165	0.8
99.04488	1.7
101.02390	3.4
105.07029	4.4
107.08599	3.8
109.02934	0.9
109.10188	2.5
111.08157	0.9
117.07120	1.0
117.89162	0.8
119.08628	2.8
121.10150	1.7
123.11737	1.3
127.03948	2.6
131.08611	2.4
133.10156	2.3
135.11714	1.8
135.65564	0.9
143.08366	1.0
145.10110	1.6
147.11800	1.4
149.13310	1.9
153.75621	0.8
159.11682	1.7
161.13298	1.3
192.59595	0.8
243.08546	2.1
267.15750	1.8
285.07935	2.1
333.15198	3.6
335.25894	0.8
435.10220	0.8
485.23859	3.2
519.29437	8.2
598.92053	0.8
663.95398	0.9
763.46063	100.0
764.46545	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	760.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46121	0.2
61.02890	0.4
69.44306	1.7
85.02876	0.7
89.38232	0.2
91.03890	0.2
93.83189	0.2
97.02834	0.2
98.21521	0.4
106.33068	0.3
107.51370	0.2
109.02808	0.4
110.90685	0.3
142.46948	0.3
153.01770	0.3
165.06967	0.6
176.06230	0.3
177.06998	3.3
179.08560	0.7
189.07001	0.5
191.08563	0.5
194.07288	2.0
205.06509	13.8
206.07121	0.6
207.08083	1.6
219.08067	0.8
221.05922	0.3
222.06773	5.9
223.07512	0.4
224.08228	0.5
233.05995	12.7
234.06697	1.0
235.07564	5.1
236.08205	0.5
237.09123	21.5
238.09528	0.6
247.07472	0.3
250.06271	2.6
251.06995	0.8
252.07730	1.4
255.15880	0.2
263.07077	2.3
264.07837	3.5
265.08612	49.3
266.08984	1.7
279.06580	0.5
280.07315	2.2
280.10809	0.5
287.05518	14.5
288.05988	0.4
295.09671	100.0
296.10001	3.0
311.12924	0.4
312.12326	25.7
313.12668	0.7
326.14108	0.4
406.28983	0.3
733.62860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88180	0.3
70.06550	0.5
71.56445	0.5
77.73101	0.4
85.02890	0.4
97.02851	0.4
127.03861	0.3
153.01814	0.6
165.06972	0.7
169.50864	0.3
177.07008	2.9
178.07677	0.3
179.08553	1.1
189.06963	0.8
191.08498	1.1
194.07317	2.7
194.39812	0.3
205.06502	15.2
206.06953	0.7
207.08066	1.4
208.08766	0.4
217.06549	0.6
219.08128	0.7
222.06764	6.2
224.08359	0.7
233.06001	14.5
234.06662	1.0
235.07562	5.6
237.09109	21.6
238.09344	0.6
247.07538	0.4
250.06311	2.2
251.07127	0.7
252.07758	1.3
263.07013	2.7
264.07828	3.7
265.08609	50.6
266.08936	1.3
279.06509	0.7
280.07370	2.6
287.05524	14.7
295.09668	100.0
296.10001	3.6
312.12311	26.7
313.12769	1.1
635.80493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01873	5.0
55.05305	2.1
55.05518	25.6
57.03444	19.9
57.07075	2.6
65.03931	2.4
67.05508	75.7
69.03442	4.2
69.07069	19.3
71.04992	3.4
71.29633	3.5
79.05057	4.0
79.05495	55.1
81.03422	89.7
81.06583	4.1
81.07061	77.3
83.04985	7.8
83.08623	23.5
85.02893	2.8
85.06551	3.9
86.09693	3.1
89.06036	4.2
91.05484	47.0
92.22578	1.8
93.07045	61.3
95.04974	38.9
95.08611	50.7
97.02923	3.8
97.06541	5.9
97.10165	8.1
105.07032	45.3
107.04967	8.3
107.08604	32.1
109.06535	7.5
109.10168	24.0
111.04424	3.3
111.08114	7.4
115.05448	3.3
117.07025	12.9
119.08579	34.0
121.06516	4.5
121.10143	29.3
122.01657	2.3
123.08078	4.7
123.11722	10.1
125.09665	8.4
129.06996	12.6
131.08578	28.0
133.06497	4.9
133.08627	2.6
133.10135	18.7
135.08070	3.2
135.11690	16.4
137.05995	2.8
137.09612	2.7
137.13274	2.9
141.51813	1.9
142.07767	4.8
143.08574	6.2
145.10153	12.0
147.08044	8.8
147.11705	17.5
149.09607	5.7
149.13255	6.6
157.10139	15.7
159.11693	13.3
161.09618	2.3
161.13277	6.9
163.11365	2.0
163.14879	3.6
165.12764	3.9
171.11682	3.6
173.09724	2.3
173.13286	7.2
175.11214	7.7
175.14804	4.8
177.12787	2.4
177.16492	2.6
183.11768	3.6
184.07434	9.8
185.13249	3.2
187.14847	4.0
189.11308	3.8
193.12271	24.0
197.13260	3.1
211.13351	2.1
215.17847	2.3
221.88110	2.1
223.14946	2.5
227.12830	6.8
235.13316	2.9
243.21129	5.7
249.14836	3.1
261.22110	19.0
267.15936	100.0
268.16284	2.0
279.23163	3.4
301.14188	2.5
301.25284	7.2
309.16800	2.5
317.24915	4.7
335.25815	88.0
336.26413	2.5
391.39383	2.2
435.32614	7.4
453.33698	9.2
471.34729	4.9
527.37286	59.7
528.37579	3.5
545.38397	52.8
546.38629	4.6
563.39093	4.3
569.38208	4.1
635.38403	2.2
760.42798	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	758.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.7
55.01865	1.0
55.05267	1.0
55.05513	13.9
57.03228	0.6
57.03441	6.3
57.07072	2.7
59.05009	1.6
61.02938	3.0
61.24800	0.6
61.47818	0.5
65.03946	3.8
67.05506	70.8
68.05849	0.7
69.03426	1.4
69.07067	13.2
69.23380	3.3
69.23798	2.5
71.04995	19.8
73.02927	0.9
73.06557	0.9
79.05493	38.1
81.03411	1.0
81.07059	100.0
83.04988	3.7
83.08620	7.5
85.02924	2.6
85.06548	7.2
91.05483	30.4
93.07044	39.7
95.04984	4.5
95.08607	30.8
95.13330	0.5
97.02888	1.4
97.06532	4.7
97.10149	2.9
99.04437	0.8
99.08092	1.0
103.05470	0.9
105.04541	1.0
105.07032	17.0
106.51394	0.6
107.04982	0.8
107.08597	23.8
109.06510	2.1
109.10159	13.7
110.09624	0.6
110.10504	0.6
111.08080	2.6
117.07020	4.6
119.08588	9.7
121.06548	0.7
121.10144	16.3
123.08092	0.8
123.11714	12.4
125.09604	1.0
129.07010	1.5
131.08583	8.0
133.10136	18.4
135.11690	11.5
137.13318	0.7
143.08615	1.0
145.10104	5.3
147.11671	4.7
149.09570	0.6
149.13268	6.3
151.11197	5.5
155.08537	0.8
157.10144	1.6
159.11687	6.7
161.09651	0.6
161.13272	3.0
163.14862	0.7
165.12820	0.8
169.12219	0.8
171.11693	0.6
173.13254	4.1
175.11264	0.7
175.14877	1.6
177.12784	1.7
183.11755	1.2
183.13858	2.6
187.13338	3.7
187.14799	1.2
195.12152	0.5
195.13878	2.2
199.14874	0.9
201.14937	1.0
219.17467	0.6
227.16447	0.8
243.15878	0.7
243.21071	0.9
257.17502	1.7
259.20889	0.8
261.22147	3.0
269.17490	5.6
283.18936	0.7
301.20078	14.1
303.71729	0.7
317.24908	1.0
327.12524	0.7
335.25800	31.8
336.26138	0.8
374.00165	0.6
411.32654	1.1
418.41592	0.6
455.35455	0.7
485.36456	1.8
503.37317	88.6
504.37485	4.7
517.38879	4.8
529.38934	11.4
561.41510	83.7
562.41870	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	757.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
61.02945	0.7
65.03935	1.5
67.05505	0.8
68.99792	5.3
69.03439	2.0
70.57209	1.7
79.05528	0.6
81.03426	2.9
82.84524	0.7
85.02917	5.4
89.03919	1.4
93.03396	0.5
95.04974	1.4
97.02893	1.8
99.04454	1.6
106.01663	0.6
107.04997	3.1
109.02897	3.6
111.00803	3.1
111.04453	4.6
117.03394	1.4
119.04893	0.9
121.02853	1.2
123.04440	28.7
127.03925	100.0
127.35908	0.7
128.04259	1.1
131.04948	2.1
135.04431	33.2
137.02353	2.3
137.06015	0.8
139.03912	71.7
140.04253	0.8
141.06978	0.9
145.05011	0.7
145.06468	1.2
147.04417	1.9
149.02402	3.2
149.06013	2.3
151.03914	12.7
155.03488	0.6
155.04936	1.0
157.06427	0.8
159.04477	3.2
161.05962	3.1
163.03918	44.2
164.04295	1.2
165.05458	2.1
167.03391	5.3
169.05006	1.5
169.06496	1.2
173.05986	3.9
175.03897	3.9
177.05510	4.4
179.03391	3.5
181.05075	2.9
181.06465	1.2
183.04407	1.2
185.05934	1.2
187.03876	7.5
187.05251	0.6
188.07135	0.8
189.05524	2.2
191.03410	10.9
193.04922	3.0
195.06558	0.8
197.05992	3.3
201.05511	7.6
203.03430	5.8
203.07072	2.8
205.05006	5.1
209.06110	0.7
213.05504	2.0
215.03532	0.9
215.07068	3.3
217.04938	1.9
219.03032	0.7
223.06129	0.8
225.05473	1.9
229.04977	10.8
230.05460	0.8
231.06607	1.9
233.04434	7.3
237.05518	0.7
241.04919	1.4
243.06578	5.3
245.04443	3.1
247.06035	39.3
248.06389	0.8
251.05611	1.7
253.05031	1.3
255.06580	2.8
257.04492	9.9
258.05203	1.3
259.06058	7.1
261.07611	3.2
265.04767	1.0
269.04489	2.2
271.06021	20.5
272.06107	0.8
273.07550	6.4
275.05499	16.1
283.05984	8.5
285.04099	0.7
285.07526	1.8
287.05524	12.9
289.07092	43.5
290.07440	1.4
295.05948	0.9
299.05612	2.0
301.07068	18.5
307.08221	5.7
313.07156	2.0
319.08279	1.1
355.07669	0.7
391.09863	0.9
407.07581	1.5
409.09183	11.4
425.08597	7.4
427.10281	13.8
428.10452	0.7
433.11029	1.0
443.09857	5.1
451.11465	1.1
463.11996	1.0
469.11215	1.9
557.96594	0.8
644.52081	0.7
732.35260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.0
57.03434	16.8
57.07076	56.7
61.02920	9.4
66.08958	4.5
67.05507	48.2
69.07066	24.7
70.40582	12.5
70.40926	9.0
71.08633	31.5
79.05488	38.3
81.03399	8.3
81.07058	57.0
81.73147	4.9
83.05005	6.0
83.08620	20.0
85.02901	7.9
85.06554	5.2
85.10190	14.9
87.04463	13.6
91.05483	64.5
93.07047	47.1
95.04973	5.9
95.08608	52.5
97.02911	7.3
97.10177	6.1
98.21428	7.2
105.07035	51.9
107.08569	27.5
109.10168	22.1
117.07047	14.4
119.08598	51.3
121.10126	12.5
123.11718	7.4
129.07047	14.8
131.08560	27.5
133.10149	36.0
135.11644	22.6
141.07002	5.6
143.08600	14.6
145.10150	18.1
147.11659	36.1
149.13283	10.5
155.08519	6.0
157.10106	11.4
159.11670	24.4
161.13280	36.5
163.11168	6.4
171.11726	14.5
173.09575	5.1
173.13281	12.8
175.14824	14.7
185.13254	13.4
199.14917	6.3
225.05013	5.5
231.21075	7.5
241.19481	27.7
259.20569	76.1
294.93201	4.8
313.27365	100.0
315.23254	5.7
333.24323	53.4
447.43295	5.1
571.47369	11.5
589.48376	22.4
679.48798	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	755.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74091	0.4
63.68334	0.3
65.03937	1.6
69.03423	1.1
71.54713	0.4
71.55103	0.4
77.63350	0.3
83.04980	1.3
91.05491	13.9
95.04975	0.5
100.64449	0.3
105.07006	0.8
107.04929	0.5
107.08617	0.5
111.04447	1.2
119.04954	27.7
120.00746	0.4
133.10130	0.4
133.85692	0.4
145.02850	0.7
147.04419	100.0
148.04761	1.9
151.03908	1.4
155.31621	0.4
175.03976	0.5
177.05588	0.9
217.04875	0.6
257.08163	1.0
287.05432	0.5
314.04425	0.5
315.05078	0.7
316.05655	0.4
317.06635	1.7
326.04282	0.7
329.06390	2.1
341.06543	5.3
359.07629	3.4
367.08389	0.5
381.09872	0.9
383.07504	0.8
409.09180	3.5
427.10303	1.5
439.14108	1.7
445.11444	0.5
459.10806	0.8
487.10309	0.5
505.11261	1.9
529.11353	0.5
532.74805	0.4
551.14471	0.4
591.14667	0.8
609.15491	1.1
675.90594	0.4
755.18860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	3.1
71.52039	0.8
73.30007	0.4
78.48226	0.4
94.64471	0.4
100.50965	0.4
111.02991	0.4
152.06218	0.9
153.06999	0.7
154.83412	0.4
155.82361	0.4
165.07007	1.8
166.07758	0.4
167.08565	3.2
172.09941	0.4
176.06187	0.5
177.06953	2.6
179.08594	1.6
181.06483	0.8
182.07304	0.6
189.06984	0.5
192.10251	0.8
193.06505	1.1
194.07249	0.6
195.08083	4.5
197.09639	3.1
205.06496	7.8
207.08046	1.6
209.05971	0.6
210.06741	1.1
211.07599	1.4
212.08295	0.7
220.05254	1.7
221.05965	4.8
222.06734	2.0
223.07555	4.9
225.05652	0.5
225.09177	2.9
233.05969	4.1
235.07552	2.0
236.04721	0.5
237.05476	1.2
237.09131	1.0
238.06178	2.1
239.07162	1.1
240.07819	1.4
243.10133	0.8
249.05531	3.3
250.06207	1.5
251.07042	16.3
253.08601	2.0
261.05450	1.9
263.07050	1.4
265.04965	0.9
265.08627	1.1
266.05756	5.3
266.08948	0.6
267.06702	0.9
268.07330	1.0
270.09067	0.6
271.09644	1.3
278.05743	0.7
279.06531	59.9
280.07108	3.4
281.08066	3.9
282.08786	0.9
295.06082	1.5
296.06805	12.0
311.09131	100.0
312.09454	3.2
328.11792	62.7
328.15466	17.9
329.12109	1.4
494.20630	0.4
608.37158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01846	0.6
65.03933	3.0
77.56227	0.5
79.05463	1.2
83.05002	0.7
85.02943	0.8
89.03887	0.7
91.05485	43.1
95.04974	10.1
103.05434	1.1
105.07066	1.3
107.04962	1.1
108.05760	0.7
112.55752	0.5
115.05462	4.8
117.03381	1.5
117.07024	0.9
118.04143	0.9
119.04945	31.8
119.08563	1.3
123.04435	2.7
123.08126	1.3
131.04953	1.5
132.05722	4.5
135.04370	0.8
136.05197	6.0
137.05975	5.4
140.04724	0.8
142.04105	0.6
143.04926	1.7
144.05695	2.2
145.02859	3.9
147.04424	1.1
149.06006	0.7
150.06693	0.9
151.07549	100.0
152.07924	0.9
155.07048	3.3
160.05205	7.2
161.05960	0.6
163.07578	0.8
165.07040	0.8
167.07068	2.5
170.03654	1.3
171.04439	1.9
175.07617	1.2
177.05504	2.5
178.07481	0.7
178.08792	1.4
179.08563	1.6
181.05046	0.9
181.06516	0.6
188.04680	3.8
189.07031	1.6
191.08565	1.0
192.04185	2.3
194.08157	7.3
198.03169	2.5
203.07106	1.1
205.06566	2.9
206.07274	2.6
207.06482	1.3
207.08078	5.9
216.04123	3.9
217.06529	0.8
218.07193	1.3
219.08078	2.2
220.03612	2.0
220.05510	3.5
221.06013	2.1
221.08034	0.6
222.06778	1.2
223.07541	0.7
231.06528	71.7
232.06944	1.4
233.05992	4.3
234.06783	9.3
235.07561	9.3
237.05467	1.3
237.09174	2.3
239.07199	1.0
241.03651	3.1
245.05872	0.6
247.07916	0.7
248.04662	4.3
249.05438	2.0
250.06261	2.1
251.07057	1.4
253.03784	0.7
254.09456	0.7
256.06107	1.3
259.04767	1.0
260.04706	2.4
261.05582	2.9
262.06265	13.9
263.07040	25.5
264.07562	1.7
264.51056	0.5
265.05072	3.1
265.08664	3.7
267.10007	0.8
269.07959	1.2
274.07086	10.4
275.07327	0.6
276.04221	0.8
277.05063	0.8
277.08533	0.9
279.06552	4.2
280.07385	2.8
281.08157	1.7
282.08890	1.0
286.07092	2.5
289.04831	0.7
290.05719	6.4
291.06534	4.3
292.07397	0.9
293.04498	2.0
293.08041	2.0
294.05829	0.8
294.08939	2.3
295.09604	1.9
297.07651	2.0
297.11319	2.3
300.08707	1.1
305.08090	0.6
307.06192	3.7
307.09363	1.0
308.06754	6.0
309.07492	2.2
313.07062	0.8
318.05325	1.7
321.07593	1.3
322.04681	2.6
322.08286	1.7
323.09116	11.4
324.09756	1.0
325.07019	2.3
325.10706	1.4
327.08664	2.0
336.06229	1.6
337.07141	2.2
339.12155	1.2
340.09509	1.8
342.11121	1.7
351.08643	43.4
352.09091	1.7
355.12051	2.9
357.13391	3.5
368.08997	1.9
383.11264	93.9
384.11591	2.5
387.10706	2.0
398.16000	0.9
406.12497	0.7
411.10742	1.0
424.13913	87.0
425.14584	2.9
427.02246	0.6
550.20648	10.7
569.26642	1.1
578.20172	15.8
702.40045	0.6
718.17334	0.6
745.29846	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	744.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26194	0.2
55.05503	0.3
66.45780	0.2
67.05490	0.6
71.56377	0.2
73.38869	0.2
79.05481	0.3
81.07064	1.3
91.05489	0.5
93.07033	0.7
95.04964	0.9
95.08606	1.2
97.06545	0.4
97.10168	0.5
105.07034	2.2
107.08600	1.1
109.06544	0.4
109.10145	0.9
119.08558	0.8
121.10124	0.6
131.08604	0.3
133.10117	0.8
135.11690	0.5
137.05997	0.3
137.09608	0.5
137.21860	0.2
145.10161	0.8
147.11726	0.4
151.05373	0.2
159.11700	0.9
161.13264	5.4
163.14784	0.6
167.07126	0.4
173.13321	0.3
176.06262	0.5
177.05571	0.3
177.07010	2.6
178.08681	0.7
179.08578	0.9
179.14322	0.3
189.07018	0.9
191.08548	0.3
191.17949	0.5
201.16405	2.5
205.06511	16.2
206.06836	0.4
207.08092	1.8
217.06429	0.4
219.17456	8.5
222.06808	0.4
233.05977	14.7
234.06386	0.5
235.07555	30.5
236.07881	1.3
237.09167	0.7
237.18509	9.2
245.06017	0.7
247.07536	0.5
248.77704	0.3
249.05569	0.4
251.07050	0.6
255.19598	1.5
263.07053	65.8
264.07397	2.4
265.08188	0.4
293.08087	100.0
294.08475	3.5
295.08807	0.3
310.10751	41.4
311.11124	1.1
347.72284	0.2
417.25168	0.4
430.66754	0.2
570.26385	1.2
642.10089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77739	0.8
53.03956	1.2
55.48701	0.7
65.03954	5.3
66.04745	1.4
67.05499	0.8
69.92159	4.1
77.28043	0.8
79.05487	3.1
81.07072	2.0
91.05493	41.3
93.03406	0.7
93.07088	1.1
94.04195	1.5
95.04990	8.3
98.20851	1.5
103.05499	1.0
105.03390	1.9
105.07059	1.2
107.04979	1.8
108.14894	0.8
109.06537	5.4
110.03690	1.6
111.04481	1.7
115.05498	3.4
117.07055	2.1
119.04952	26.3
119.08598	1.3
121.06525	1.3
122.03705	1.7
123.08102	1.3
125.05993	2.1
131.04962	1.1
132.05675	1.3
133.02870	3.9
135.04442	2.2
135.08067	1.7
136.05191	3.6
136.08244	0.7
137.05991	26.8
138.03172	1.1
138.06767	2.5
139.07561	2.3
145.06480	1.1
147.04453	1.9
149.05952	0.9
150.06807	3.1
151.03986	5.1
151.07564	90.5
152.07951	1.1
153.05495	12.9
160.05267	2.8
163.07585	1.8
165.05498	10.3
165.09190	1.1
167.07060	1.7
171.04489	1.5
175.07666	0.8
177.05534	0.8
177.09169	1.9
180.06532	5.5
188.04765	1.1
189.06964	0.9
194.08191	1.3
195.08078	0.7
198.03136	1.1
205.06633	1.2
206.08118	1.2
208.06111	4.7
215.05881	0.9
216.04214	1.8
220.09682	1.6
225.09123	1.5
230.08145	4.3
231.06538	22.4
234.06856	1.5
235.07582	2.8
236.08424	1.1
237.09148	1.1
247.07555	1.3
248.08397	1.4
249.09140	3.3
250.06332	1.5
251.07098	1.8
251.10785	1.8
253.03761	1.3
253.08740	2.5
254.09459	2.2
256.06198	3.1
262.06299	1.7
263.07031	3.3
264.07834	2.0
265.08612	3.2
268.10959	0.8
274.06396	4.0
275.07098	2.7
276.07834	7.5
277.05466	1.3
277.08710	6.6
278.05878	0.8
278.09525	2.3
279.06949	1.6
279.10269	10.1
280.07361	2.6
280.10559	0.8
281.08282	1.2
281.11627	1.6
282.08878	7.1
283.09674	1.7
286.07129	13.3
288.07977	1.2
291.06549	4.5
291.09497	0.8
292.07394	3.1
293.05072	1.3
293.08200	5.8
293.11240	0.9
294.08862	1.8
295.09570	2.1
296.10577	2.9
297.11322	2.6
299.09235	3.0
302.05832	2.2
303.12338	3.2
304.07346	3.9
305.04770	1.0
305.08102	2.4
306.08795	6.8
307.06265	1.2
307.09729	3.5
308.06876	3.7
309.07730	2.4
309.11197	0.9
311.09283	7.2
314.11404	4.5
315.12390	1.5
318.08868	1.4
319.09430	1.0
320.06915	4.5
321.07724	3.2
321.11169	1.5
322.08331	4.5
323.05908	1.1
323.09082	3.7
325.10739	31.3
326.11154	1.1
334.08133	4.5
335.09152	15.0
336.09833	0.9
337.07150	1.6
337.10706	14.6
339.08725	1.2
339.12405	3.1
340.13104	23.5
341.13913	2.3
346.08572	1.9
349.10834	1.6
351.08548	8.3
352.09320	6.1
353.10391	2.7
355.11926	1.1
364.09360	1.8
365.10101	5.8
366.10913	10.0
367.11841	25.7
379.11841	9.5
381.09720	8.6
384.11996	1.2
385.12994	1.0
397.13083	2.3
424.14200	2.4
436.14044	4.9
484.12213	0.9
496.19931	1.9
499.13715	1.4
531.16565	11.5
532.17194	1.1
548.19189	27.9
549.19379	1.6
561.22314	1.3
562.20691	2.3
566.20471	1.7
575.20215	1.6
576.18665	2.0
593.21393	2.9
725.27026	10.9
726.27808	1.2
743.28162	100.0
744.28644	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	743.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01857	0.9
58.49231	0.7
62.90379	0.8
64.98777	0.8
65.03952	4.5
66.04713	1.3
67.05508	1.5
71.55173	1.0
75.00452	0.8
79.05499	3.4
81.07065	2.5
91.05490	37.9
93.07029	1.9
94.04179	2.3
95.04981	6.7
103.05507	2.0
105.03425	1.7
105.07068	1.9
107.04980	2.5
107.08605	1.2
109.06528	6.0
110.03671	1.8
111.04474	2.1
115.05477	2.2
117.07032	1.7
119.04950	23.6
119.08646	1.0
121.06535	2.5
122.03642	1.6
122.65063	0.8
123.04462	0.9
127.03923	1.2
131.04926	1.4
132.05751	1.3
133.02855	3.4
133.10167	1.1
135.04420	2.3
135.08075	1.9
135.11757	0.9
136.05211	3.7
137.05988	25.3
138.06728	1.2
139.07610	2.0
142.72136	0.8
143.04900	1.2
145.06454	2.0
145.10187	0.9
147.04433	3.6
150.06818	2.6
151.03983	4.7
151.07556	82.1
153.05484	14.0
159.11697	1.0
160.05241	2.3
163.07593	2.9
165.05534	9.7
165.06911	1.2
167.07103	3.0
173.06119	1.3
175.07561	1.0
177.05495	1.7
177.09137	1.2
180.06541	4.0
181.05006	1.6
192.06450	0.8
194.08257	1.3
195.08006	0.8
198.03169	1.4
205.06656	1.0
206.08241	2.1
207.08170	1.0
208.06033	5.9
211.07458	1.4
215.05806	1.1
216.04219	1.1
222.06721	1.0
223.07735	1.4
230.08086	4.4
231.06549	20.7
231.08859	1.2
233.06088	1.3
234.06808	1.5
235.07529	2.0
236.08363	1.5
237.09042	1.1
246.07042	1.0
248.08450	1.4
249.09212	3.6
250.06290	1.6
251.06953	1.4
251.10643	1.2
253.03737	1.3
253.08720	2.4
254.09392	2.0
256.06195	3.3
262.06274	1.5
263.07071	4.3
264.07822	2.9
265.08630	2.8
266.09387	1.9
267.10260	1.6
268.07382	1.3
274.06702	4.1
275.07129	1.2
276.07870	6.4
277.05237	1.7
277.08649	5.0
278.09515	2.0
279.06924	1.7
279.10138	10.5
280.07309	1.3
281.08170	1.7
281.11636	1.5
282.08902	5.3
283.09784	3.4
285.07751	1.4
286.07083	12.7
288.07843	1.6
289.08212	1.3
291.06610	4.2
291.09961	1.2
292.07367	4.7
293.08133	4.9
293.11340	1.2
293.88284	0.9
294.08774	2.6
295.09616	1.2
296.10376	2.0
297.11404	2.5
299.09302	2.8
300.08749	1.7
302.05719	1.9
303.09369	1.1
303.12421	3.3
304.07358	5.0
305.04718	1.2
305.07983	1.7
306.05637	1.7
306.08618	6.3
307.06174	1.6
307.09717	4.2
308.06937	3.5
309.07813	1.6
309.11176	1.0
311.09128	6.8
314.11560	3.4
315.12433	2.8
320.06839	4.0
321.07596	2.9
322.08224	4.0
323.09122	3.9
324.09698	1.3
325.10742	27.0
326.11273	1.7
334.08405	3.5
335.09131	13.8
337.07065	1.5
337.10678	13.5
339.12387	2.6
340.09183	2.0
340.13083	24.4
341.14008	2.5
345.10272	1.1
351.08698	8.7
352.09171	4.1
353.10269	3.1
358.13071	1.6
364.09454	2.0
365.10333	4.0
366.10995	9.5
367.11789	22.3
379.11737	9.9
381.09653	6.1
384.12161	1.7
385.13000	1.5
397.12814	3.2
406.13062	1.4
417.15579	1.5
424.14175	2.0
436.13879	3.8
450.16125	1.0
478.29800	0.9
496.19461	1.8
531.16412	8.8
548.19214	25.8
549.18866	1.4
561.22437	1.6
562.20880	1.9
566.20154	2.0
575.20380	1.6
576.19128	1.4
593.21240	2.4
725.27216	11.0
726.26520	1.1
743.28113	100.0
744.28796	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	743.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
53.48079	1.2
53.90687	1.3
55.05511	1.9
67.05519	1.9
69.03436	10.9
71.56251	1.5
74.54152	1.4
75.72821	1.4
79.05503	5.0
80.28022	1.4
81.03394	1.3
81.07047	2.2
83.04990	1.9
85.02925	2.3
91.05492	21.9
93.07038	5.9
95.04985	3.7
103.05486	5.4
104.06281	1.4
105.03439	1.8
105.04587	1.9
105.07037	5.8
107.04955	7.3
109.06532	4.4
111.04424	1.9
112.63275	1.3
115.05479	5.1
116.48315	1.4
117.07043	3.1
119.04972	5.1
119.08572	3.1
121.06532	11.7
122.03658	2.8
123.04439	2.8
123.08109	2.5
129.05511	6.5
129.78307	1.3
132.05751	4.8
132.53653	1.4
133.02853	3.3
134.07275	11.2
135.04428	2.8
135.08070	16.9
137.05986	23.4
143.04979	1.7
144.05710	1.6
145.06537	1.7
147.04404	10.6
147.08055	7.2
149.05998	9.9
150.06789	3.2
151.03943	3.2
151.07570	5.3
153.05496	7.4
160.05238	6.0
161.06009	2.7
161.09593	2.7
165.05525	13.2
165.06871	2.9
167.07068	11.3
169.02875	2.3
175.07562	1.5
177.05481	1.5
179.07133	1.8
179.08577	3.2
181.04967	1.7
181.06480	3.2
181.08643	4.0
188.04800	1.8
189.07129	2.8
191.08630	1.9
192.04259	2.1
194.07262	3.4
195.08070	2.2
198.03186	2.3
199.07494	2.1
205.06519	4.2
206.07317	5.9
207.06476	1.6
207.08107	10.6
213.09187	2.3
216.04137	3.0
218.07283	2.4
219.08160	5.2
220.05251	7.6
221.06073	4.6
222.06812	1.5
224.08394	2.1
225.04106	8.8
225.09198	1.6
231.06532	48.3
233.05988	10.4
234.06757	17.4
235.07544	16.4
237.09169	6.5
238.09720	2.0
239.07277	2.5
239.10655	2.3
240.07884	2.2
241.08670	4.8
245.06465	4.6
247.04163	1.5
247.07489	1.6
248.04692	8.1
249.05531	4.0
250.06245	3.3
251.07074	2.5
252.08028	2.1
253.03735	10.7
253.08778	2.1
254.09404	1.8
255.10278	2.9
256.06079	2.3
257.07986	1.5
260.04834	5.5
261.05615	5.9
262.06262	27.0
263.07059	46.7
264.07700	2.1
265.05115	6.6
265.08609	7.4
267.10406	5.3
269.08075	10.0
271.04837	5.3
271.09595	2.6
274.07217	1.4
276.04187	2.9
278.05923	1.9
279.06601	7.9
280.07358	3.5
282.09000	2.4
283.09747	3.7
284.10519	6.2
286.07114	59.6
287.05621	5.7
289.04947	1.9
290.05722	13.1
291.06479	7.6
293.04532	4.1
293.07843	2.1
294.08777	8.7
295.09583	3.0
297.07697	4.0
297.11328	5.8
299.12823	23.6
307.06055	6.9
307.09238	1.7
308.06790	12.6
309.07651	4.8
311.09354	1.9
316.15466	10.8
318.05347	1.8
322.05148	2.7
322.08453	3.1
323.09116	19.6
325.07153	4.1
325.10788	3.1
329.06592	1.6
331.11792	4.3
333.17868	2.2
336.06268	2.5
337.07208	3.0
340.09723	3.2
343.16702	7.8
350.07993	2.4
351.08670	62.9
352.09235	2.8
355.11694	11.6
357.13220	3.5
368.08954	4.7
383.11267	59.6
384.11423	2.5
396.14352	3.0
401.12299	4.0
408.14697	2.8
411.10727	21.4
412.11627	1.8
413.17517	2.0
429.11728	21.0
540.16650	4.3
572.18787	7.2
589.22046	9.1
715.29132	4.5
725.27100	31.7
726.26685	2.2
743.28107	100.0
744.28418	7.2
771.08948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
55.01857	4.2
55.05514	26.3
57.03450	15.7
57.07086	3.9
60.64877	1.9
61.02920	6.7
65.03940	5.0
67.05513	93.2
67.80447	2.3
69.03419	6.9
69.07079	28.9
69.14213	2.5
69.92762	12.0
71.04996	5.6
74.09775	2.7
75.27072	2.0
79.05502	61.5
81.03429	12.4
81.07066	97.9
82.07355	2.2
83.04972	9.3
83.08634	15.5
85.02909	6.8
85.06572	3.6
91.03970	2.0
91.04963	3.7
91.05495	49.8
91.57579	1.9
93.07054	70.0
94.90446	2.2
95.04984	26.7
95.08617	73.6
97.02892	5.4
97.06517	10.6
97.10146	5.7
98.21379	3.4
99.08067	3.1
105.06363	3.7
105.07033	35.3
107.04967	5.3
107.08604	39.1
109.06518	10.3
109.10164	22.9
111.08048	4.6
117.07024	10.5
119.08595	32.6
121.06477	4.2
121.10152	26.1
123.11731	7.3
125.06020	2.6
125.09686	2.6
127.07635	2.4
129.07013	9.3
130.07828	3.3
131.08569	20.7
133.10156	24.1
135.08063	5.0
135.11717	46.6
137.09625	4.8
137.13281	2.8
139.11295	2.2
142.07753	3.7
143.08591	5.1
145.10167	23.7
147.08009	3.3
147.11697	16.6
149.09625	4.4
149.13252	6.3
151.11171	2.5
157.10158	13.5
159.11705	7.2
161.13277	7.5
163.11209	27.3
163.14771	3.0
165.12712	4.5
171.11638	3.3
173.13229	7.0
175.11220	12.2
181.12247	5.4
187.14833	4.1
193.12280	9.9
211.11313	3.3
211.13315	6.4
223.97989	2.4
227.12796	35.3
243.21124	3.9
261.22165	15.8
263.23590	2.6
267.15796	11.3
283.15433	51.0
285.16983	79.8
335.25839	100.0
337.27402	46.3
425.33737	2.5
527.37030	9.0
545.38391	92.9
546.38953	3.6
563.39526	3.3
715.23193	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	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01873	2.1
55.05265	1.2
55.05516	16.5
55.41656	1.0
57.03439	11.8
57.07083	1.6
61.02917	1.3
65.03947	3.1
67.05508	40.7
69.03425	3.8
69.07070	12.4
71.04984	2.9
71.45858	1.2
73.02880	1.2
79.05498	30.0
81.03423	37.3
81.06581	2.1
81.07062	39.9
83.04984	9.9
83.08620	18.4
85.02914	16.1
85.06556	1.5
91.05486	24.0
93.07049	30.6
93.07632	1.6
95.04973	17.9
95.08620	26.2
95.09241	1.5
97.02881	4.3
97.06541	3.4
97.10176	2.6
99.08106	1.1
105.04517	1.3
105.07034	21.0
107.04980	2.5
107.08595	18.1
109.06531	3.3
109.10162	10.4
111.08100	6.9
113.06020	1.1
117.07014	4.5
119.08582	15.6
121.06537	1.2
121.10149	15.9
123.08049	1.8
123.11729	3.8
125.09641	1.2
128.06209	1.1
129.07051	5.4
131.08582	12.0
133.06535	1.6
133.10152	8.1
135.11661	5.9
137.09625	1.7
137.13298	1.1
142.07776	1.8
143.08543	1.7
145.10133	4.0
147.08109	2.3
147.11702	11.3
149.09653	3.9
149.13306	3.7
153.12762	2.1
157.10144	8.3
159.11751	2.7
161.13277	2.6
163.11153	1.2
165.12743	2.3
173.13303	2.5
175.11209	8.4
175.14926	1.4
181.09981	1.0
186.17432	0.9
187.14778	1.2
193.12276	25.9
211.11313	2.0
211.13306	35.4
211.15268	1.9
227.12708	2.1
261.22107	6.5
262.23221	0.9
267.15836	5.2
285.16965	34.9
317.06818	1.1
317.24786	1.3
335.25809	67.8
336.26242	3.2
337.26492	0.9
375.25659	1.1
435.32278	1.1
438.85223	1.0
444.94339	1.1
453.33755	1.3
501.52991	0.9
527.37622	6.8
545.38379	100.0
546.38641	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	741.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01866	0.5
55.05515	0.5
60.33165	0.4
65.03944	1.1
66.04722	1.3
69.03433	1.0
69.07059	0.8
70.16899	0.7
70.17252	1.7
78.25207	0.4
79.05492	2.6
79.25287	0.4
81.07063	2.6
85.84862	0.4
91.05484	8.0
93.07053	1.0
94.04206	2.0
95.04984	1.2
98.21574	0.5
99.28730	0.5
103.05460	0.8
105.03397	1.1
105.07041	1.8
107.04971	1.7
107.08604	0.9
109.02921	0.5
109.06509	4.0
109.10188	0.8
111.04443	0.6
119.04951	3.3
119.08564	0.9
121.06544	1.0
121.10179	0.6
121.45266	0.4
122.03661	2.2
123.04424	0.9
125.06023	0.5
126.64156	0.5
127.03915	0.9
132.04524	0.7
133.02829	2.8
133.10117	0.7
135.04451	1.0
135.08080	1.4
137.05978	18.6
137.09621	0.7
138.06778	0.7
139.03975	0.6
147.04436	5.5
149.05981	1.0
150.03146	0.6
151.03951	2.4
151.07584	1.2
153.05466	2.9
157.10167	0.5
162.17529	0.4
163.07562	0.8
164.07112	2.2
165.05476	10.1
167.07069	2.0
173.76901	0.4
176.07106	0.5
177.05495	0.8
177.07889	0.6
178.08644	0.8
179.08910	0.6
180.06638	1.8
181.05106	0.7
192.06653	1.9
194.08301	0.6
205.06613	0.6
207.06572	1.0
208.06123	1.2
224.07106	0.6
233.06200	0.8
234.06795	0.7
237.09044	0.5
247.07622	0.7
248.08424	0.6
249.09000	1.1
250.06250	0.5
251.10759	0.4
252.07796	0.8
255.10306	0.8
260.08276	0.6
261.05511	0.8
261.09152	0.7
262.06360	1.0
263.06992	3.3
264.07831	1.3
266.09552	0.9
267.10254	0.7
275.06943	0.5
276.07773	2.9
277.08551	6.0
277.11197	0.7
278.05737	0.6
278.09280	1.8
279.06799	1.1
279.10266	1.8
281.11658	3.9
283.09607	3.5
287.09613	0.6
288.07751	0.8
290.09390	1.4
291.06598	2.2
291.10220	2.9
292.07361	1.7
292.10495	0.8
293.07986	5.6
293.10785	0.5
294.08868	1.0
298.11984	8.2
302.08334	1.5
303.09430	0.5
304.07129	1.1
304.10187	0.6
305.07843	2.5
305.11182	0.7
306.05350	0.9
306.08694	7.5
307.06070	0.8
307.09491	4.0
308.06998	0.7
308.10480	2.9
309.11203	5.6
310.11975	0.7
317.07779	0.7
318.11472	1.0
319.09607	18.7
320.10162	1.6
320.13425	0.6
321.07657	2.1
321.11179	24.0
322.08395	1.9
322.11740	0.7
323.09204	2.6
324.13559	13.5
324.17239	0.9
325.14291	1.1
331.09427	0.8
333.07483	1.0
333.11148	1.3
334.11343	1.0
335.09015	8.6
336.09824	12.7
337.07269	0.5
337.10538	2.4
347.08932	1.2
348.09698	2.7
349.10278	3.9
349.14011	8.3
350.11374	27.5
351.12280	37.6
352.09177	0.8
352.12933	0.5
362.11179	1.0
362.14450	0.7
363.12253	2.8
364.12302	1.6
365.10236	2.0
366.10983	1.6
367.14133	1.9
422.12119	0.8
439.11926	0.5
455.11316	0.5
468.13876	0.7
469.13431	1.1
471.15112	0.6
482.15540	0.8
483.14389	2.4
499.13919	1.0
509.14990	0.6
510.15765	0.6
514.17737	1.4
515.17133	2.1
527.17035	1.1
529.15161	0.7
532.19806	1.5
534.15356	1.0
541.17609	1.5
542.18146	1.7
544.19714	2.5
546.17029	0.5
554.17841	2.1
556.16205	1.0
558.19800	0.9
559.20764	7.9
674.00751	0.6
674.20654	0.5
696.24475	4.7
706.22870	1.9
713.27252	3.0
723.25525	18.6
724.25146	1.0
741.26514	100.0
742.26837	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	741.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20837	0.5
53.03954	1.2
55.01875	2.2
56.96547	0.6
57.03436	0.5
61.02921	1.1
65.03947	1.9
67.01867	0.9
67.05495	1.2
68.99788	6.3
69.03438	3.1
71.57418	0.8
79.05483	0.8
80.21478	0.5
81.03410	4.5
83.04993	0.8
85.02908	8.4
87.83029	0.5
89.03909	0.9
91.05471	0.9
93.03413	1.3
95.04950	2.1
97.02904	4.6
98.32809	0.5
98.97625	1.0
99.04458	1.4
101.00901	0.8
103.05496	0.7
105.03398	1.3
107.04950	4.5
107.70514	0.4
109.02914	3.5
111.00805	3.5
111.04453	6.7
115.05395	0.8
115.42796	0.4
116.98661	0.6
119.01939	1.6
119.04955	1.8
121.02872	1.2
122.95117	0.5
123.04437	51.5
124.04766	0.8
127.03925	100.0
128.04230	1.1
131.01897	0.8
131.04933	2.9
133.06467	0.6
135.04425	35.0
136.04762	0.9
137.02344	5.9
137.05975	1.5
139.03911	66.1
140.04219	0.9
141.07014	0.9
143.01904	4.1
143.04945	0.8
145.03488	1.7
145.04984	1.3
145.06488	1.2
147.04414	8.3
149.02362	3.5
149.06039	2.5
151.03912	17.2
151.07462	0.5
153.01733	0.7
153.07002	0.6
155.01933	2.4
155.03416	1.3
155.04918	0.8
157.03510	1.0
157.06479	1.8
159.04413	3.5
161.02988	4.5
161.05940	4.3
163.03917	46.0
164.04448	0.4
165.01883	0.8
165.05499	6.5
167.01953	0.9
167.03394	7.4
167.04732	0.8
169.03520	1.0
169.05040	0.6
169.06509	2.0
170.99658	0.5
173.02982	4.5
173.04459	0.7
173.04681	0.7
173.05965	3.8
175.03893	3.5
175.07593	0.7
177.05481	4.7
179.03395	3.2
181.04910	1.8
181.06529	1.7
183.04434	1.8
184.04832	0.6
185.02979	3.8
185.06071	1.7
187.03897	6.7
187.07542	1.1
189.00705	0.7
189.05525	3.7
191.03409	15.0
191.07121	0.8
193.04997	4.2
197.03087	0.7
197.06012	3.8
199.04692	0.5
201.05482	9.0
203.03459	7.7
203.07111	2.0
205.05013	4.2
207.06602	1.6
209.05919	0.7
213.05484	3.1
214.06085	0.5
215.03758	2.7
215.07082	2.7
217.04965	2.5
219.06560	1.1
221.05124	1.5
225.05537	2.4
227.03966	2.3
227.07094	1.4
229.04970	10.9
231.06612	2.6
233.04489	7.0
237.05478	1.2
241.05000	2.2
243.06578	5.3
245.04866	9.5
246.05183	1.1
247.06056	33.9
248.06596	0.7
250.49277	0.6
251.05536	2.3
253.04955	1.3
255.06548	4.0
257.04489	15.3
258.04828	0.6
259.06061	9.1
261.07538	2.7
263.06049	2.3
265.04932	1.2
269.04468	3.9
271.06039	23.1
272.06381	1.0
272.84988	0.5
273.07663	8.6
275.05518	23.2
283.06000	12.3
283.08765	0.7
285.07584	2.2
287.05533	18.1
288.05844	0.7
289.07071	43.7
290.07364	1.2
291.08670	10.5
293.06949	0.7
295.06018	1.4
299.05450	3.9
301.07077	22.0
303.08704	2.3
305.07315	2.2
313.07117	2.2
315.08871	1.4
323.08597	0.9
325.07141	0.8
333.09879	1.3
335.08224	1.0
343.08130	1.0
355.08173	1.1
365.09396	1.7
367.08368	0.8
379.07916	0.8
391.10239	1.2
409.09174	24.1
411.10928	3.8
415.10324	0.8
421.09232	0.8
425.11630	4.7
427.10223	15.3
435.10730	1.6
437.12543	0.7
439.10355	0.8
451.11383	1.0
453.11792	2.1
463.12277	1.2
483.06900	0.7
705.94543	0.5
741.22833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1812
Annotation	Kaempferol 3-(3'',6''-di-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.38810	0.2
55.05518	0.3
63.19652	0.2
65.03935	1.9
66.29655	0.3
67.05495	0.3
68.99744	0.2
69.03426	0.7
69.95603	1.2
77.50589	0.2
78.29995	0.2
79.05503	0.3
81.07053	0.5
83.04979	0.3
91.05482	14.2
94.69366	0.2
95.04967	0.5
98.21491	0.3
107.04984	0.3
110.22673	0.2
111.04430	1.4
115.05512	0.2
117.07051	0.2
119.04944	28.2
120.05287	0.3
120.36724	0.2
121.02898	0.6
123.04489	0.3
133.10133	0.3
137.02335	1.7
145.02924	0.3
145.06442	0.3
147.04411	100.0
148.04727	1.3
157.06583	0.3
161.02333	0.3
163.03894	1.9
165.01888	0.4
177.01855	0.4
189.05464	0.3
201.05426	0.4
205.42159	0.2
217.04886	0.3
251.09167	0.4
253.04955	0.3
257.08096	0.8
281.04413	0.2
299.05524	1.3
302.04428	0.4
303.04953	1.3
311.05551	0.4
315.04913	2.7
316.05621	0.3
327.05014	6.2
327.08728	0.5
329.06631	0.4
341.06604	0.5
343.07938	0.3
345.06033	3.3
353.06982	0.5
355.04282	0.5
367.08197	1.1
369.05869	0.7
395.07703	2.8
413.08939	1.7
439.13904	1.0
445.08786	0.4
461.29230	0.3
462.29453	0.5
473.08643	0.8
491.09729	2.3
515.09711	0.4
577.13269	0.7
595.14191	0.6
636.52661	0.3
741.17816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74580	0.5
53.03942	1.1
55.01871	1.6
65.03953	1.3
67.01878	0.7
67.05511	0.6
68.99790	4.5
69.03425	2.2
70.57722	1.6
75.61326	0.5
79.05490	1.0
81.03406	2.7
83.04988	0.7
85.02907	3.7
89.03915	0.9
91.05435	0.8
93.03409	0.8
95.04962	1.5
97.02885	2.2
99.04456	1.1
103.05417	0.9
107.04968	3.4
109.02902	3.2
111.00790	2.6
111.04449	3.8
119.04956	1.3
121.02868	1.1
123.04438	37.5
127.03923	100.0
128.04230	1.2
131.04959	1.8
135.04420	30.3
137.02327	3.0
137.03268	0.6
137.06010	1.2
139.03912	49.6
141.07040	1.0
143.04889	1.0
145.02924	0.6
145.06552	0.6
147.04411	5.6
148.94534	0.5
149.02364	2.6
149.05959	1.8
151.03908	11.6
153.01843	0.7
153.80818	0.6
155.03391	0.9
155.04924	0.7
157.06493	1.0
159.04437	2.3
161.02425	0.9
161.06036	3.3
163.03909	39.7
165.05490	5.8
167.03430	5.8
169.06491	1.3
171.04283	0.6
173.05992	2.4
175.03909	2.4
177.05453	3.9
179.03372	2.8
181.04988	1.1
183.04413	1.2
185.06000	0.9
187.03876	5.8
189.05476	2.7
191.03416	11.2
193.05019	1.5
197.05984	3.6
201.05487	6.6
202.72923	0.6
203.03439	5.2
203.07060	2.1
205.04936	2.9
207.06543	1.3
213.05446	1.4
215.03558	0.8
215.07083	2.3
217.05028	1.1
219.06409	0.7
225.05444	1.4
227.07077	0.6
229.04965	8.2
230.05594	0.9
231.06520	2.1
233.04449	5.6
237.05469	0.8
241.04962	1.2
243.06554	5.9
245.04472	3.2
247.06042	17.6
248.06473	0.9
251.05611	0.9
253.04912	1.1
255.06502	1.3
257.04495	9.1
258.05270	0.6
259.06033	5.3
261.07593	2.2
265.05066	0.9
265.08685	0.5
269.04541	2.8
271.06033	19.3
273.07584	5.2
275.05502	14.4
280.17801	0.6
283.06015	7.2
285.07596	1.4
287.05536	11.1
289.07077	38.7
290.07520	1.1
291.08633	8.8
295.05887	0.9
299.05533	2.7
301.07089	14.4
303.08759	1.9
313.06976	1.3
333.09747	0.9
391.09003	0.8
409.09128	13.0
411.10748	1.9
427.10242	10.5
435.10580	1.1
451.12180	0.8
453.12067	1.4
478.17630	0.7
669.26880	0.6
694.22455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
55.01872	4.0
55.05519	17.6
57.03442	9.9
57.07070	1.0
59.76149	0.9
61.02930	1.1
65.03948	1.4
67.05510	42.3
67.60891	0.9
69.03449	2.2
69.07069	12.0
69.59295	5.6
71.04999	3.5
73.02915	1.5
77.03907	0.9
78.71171	0.9
79.05502	44.2
79.61678	0.8
81.03412	2.8
81.07064	47.1
83.04980	4.0
83.08627	10.1
85.02940	1.4
85.06541	3.1
91.05492	19.0
93.07056	55.4
95.04986	8.4
95.08613	56.0
97.02896	4.5
97.06532	4.9
97.10149	2.1
99.04477	3.7
103.05487	1.5
105.04543	1.1
105.07042	14.2
107.04955	8.8
107.08601	40.6
109.06548	2.7
109.10159	12.1
111.08067	1.5
112.40633	1.0
113.06037	1.1
117.07034	12.1
119.08580	16.7
121.06529	5.4
121.10155	23.5
121.11019	1.7
123.11711	2.7
125.05988	2.7
129.07016	2.0
130.07814	1.2
131.08615	5.8
133.10132	8.1
135.08092	2.7
135.11705	52.4
136.12018	0.9
137.13336	1.2
139.07542	2.2
139.11148	1.2
143.08582	2.0
145.10129	33.0
146.10507	1.1
147.11713	2.6
149.09627	1.5
149.13264	3.2
157.10135	1.7
159.11702	3.3
161.13304	2.6
163.11195	60.9
163.14850	1.8
164.11540	1.4
169.10268	1.0
173.13329	2.1
175.14825	1.7
181.12251	8.8
194.14017	1.0
209.11717	2.1
227.12801	83.7
228.13199	1.9
239.13922	0.9
243.21071	3.2
245.44009	1.0
252.00780	0.9
252.95001	1.0
261.22165	8.5
283.15421	100.0
284.15924	1.9
317.24890	2.0
335.25827	99.5
336.26004	2.0
345.49905	0.9
365.56693	0.9
543.36841	89.8
544.36993	4.1
549.25012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01873	2.3
55.05514	16.0
57.03438	9.5
59.06145	1.9
65.03928	3.4
67.05176	3.3
67.05511	50.4
69.07076	10.9
70.39473	3.1
70.39845	6.8
71.05007	2.8
72.22614	1.6
74.09711	2.1
77.88822	1.9
79.05063	3.6
79.05499	55.0
81.03410	3.6
81.07065	48.8
83.04973	9.7
83.08630	4.9
91.04958	3.3
91.05489	38.2
93.07050	54.6
95.04943	12.4
95.08613	38.3
97.06561	2.5
97.10110	2.7
102.12823	2.6
105.07054	31.0
107.04967	4.8
107.08614	21.6
109.06523	2.9
109.10195	10.5
117.07022	6.2
119.08603	18.1
121.10165	12.9
123.08089	4.4
123.11720	2.3
128.06239	2.8
129.06989	7.4
129.85922	1.9
131.08553	6.6
133.10133	10.8
135.11705	7.5
143.08534	4.1
145.10115	8.8
147.08029	2.4
147.11699	20.8
149.13275	3.2
157.10124	2.5
159.11716	4.9
161.09691	3.0
161.13277	6.3
171.11717	10.1
189.12787	3.6
203.17953	2.1
207.13852	11.1
207.15555	1.9
261.22089	2.4
279.15866	2.6
281.17487	36.1
335.25803	50.4
541.38947	100.0
542.39026	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	740.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94918	0.2
68.99537	0.2
69.03416	0.3
71.56326	0.5
105.07063	0.3
108.81102	0.2
120.51627	0.3
127.03888	0.3
139.03889	0.4
164.07124	0.3
169.73692	0.3
176.06120	0.3
177.05643	0.4
177.07028	2.8
179.08595	0.8
189.06975	0.7
191.08585	0.7
194.07233	1.6
205.06497	13.3
206.07190	0.8
207.08070	1.8
217.06445	0.4
219.08046	0.7
222.06784	5.5
223.07512	0.4
224.08249	0.5
233.05989	13.2
234.06697	1.1
235.07550	3.7
236.08119	0.6
237.09114	23.0
238.09459	0.8
250.06223	2.5
251.07097	0.4
252.07849	1.9
263.07086	2.4
264.07867	3.9
265.08612	52.3
266.08890	1.6
271.89148	0.3
279.06519	0.3
280.07339	2.6
280.10867	0.5
281.08014	0.3
295.09668	100.0
296.09961	3.1
297.10327	0.3
300.05768	0.3
311.12772	0.5
312.12305	33.4
313.12653	1.0
368.62634	0.3
625.67816	0.4
671.73083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01863	2.6
55.05520	11.3
57.03193	0.8
57.03443	9.7
57.07074	1.7
60.12051	0.8
61.02903	1.4
65.03930	2.2
67.05512	43.5
69.03432	1.9
69.06735	0.7
69.07079	10.8
69.35825	5.2
69.36243	1.5
71.04983	2.5
71.51162	0.8
73.02926	1.6
77.03953	0.7
79.05501	37.4
81.03417	1.8
81.07064	42.3
83.04972	3.8
83.08624	8.8
85.02894	1.6
85.06529	1.3
91.05492	14.8
93.07053	50.1
95.04987	6.8
95.08615	51.0
97.02901	3.5
97.06523	3.7
97.10170	1.8
99.04458	3.6
103.05477	0.9
105.04504	1.1
105.07042	11.4
107.04971	6.7
107.08601	32.6
108.08133	0.8
108.08903	1.0
109.06531	1.5
109.10166	12.1
111.04440	0.9
111.08085	1.4
115.05436	1.0
117.07027	9.5
119.08595	13.9
121.06548	4.5
121.10159	17.3
123.11686	3.4
125.05985	2.2
125.09616	0.9
129.07014	1.1
130.07787	1.9
131.08578	5.1
133.10127	6.2
135.08109	1.8
135.11705	40.9
137.13382	1.0
139.07509	1.8
143.08562	1.1
145.10130	25.5
147.11717	2.9
149.13261	3.6
159.11682	3.2
161.13249	2.1
163.11198	41.9
163.14781	1.4
173.09579	1.3
173.13275	1.5
175.14879	1.8
181.12270	6.7
184.07343	0.9
187.14821	1.5
207.31615	0.7
209.11742	1.5
227.12798	56.0
228.13216	1.0
243.21129	2.6
261.22128	7.4
283.15417	51.8
317.24731	1.9
335.25824	100.0
336.26233	3.1
538.16589	0.8
543.36865	75.2
544.37018	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	733.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01872	1.2
64.98042	0.7
65.03947	2.5
67.05508	0.8
69.61493	5.0
77.03922	0.8
79.05495	1.7
81.03431	0.7
91.05485	43.5
92.05811	0.8
93.07042	8.9
95.04971	13.0
103.05458	8.3
105.07053	4.5
107.04967	2.4
109.02916	1.0
115.05444	6.4
117.07027	4.0
118.04201	0.8
118.13734	0.8
119.04947	29.3
119.08588	1.2
120.05758	0.9
121.06510	59.8
123.04424	3.0
123.08031	1.4
123.72691	0.7
128.06201	0.7
129.06992	1.0
131.04930	2.2
132.05702	5.0
133.06505	4.3
135.04309	1.1
136.05219	5.2
137.05983	5.1
140.04675	0.9
143.04962	3.6
144.05748	2.3
145.06471	6.4
146.05978	0.8
147.04315	1.0
148.07654	1.0
150.06682	0.8
151.07547	99.5
152.07941	1.7
153.05452	0.9
155.05954	1.4
155.06180	0.9
155.07089	4.9
160.05222	8.6
161.05983	6.5
164.07115	2.6
167.07037	6.6
170.03622	1.0
171.04419	2.2
173.05998	4.8
174.03104	1.4
175.07585	2.2
177.05507	0.9
178.08626	2.7
179.08565	1.6
181.04924	3.4
181.06448	1.7
182.08148	1.8
187.03964	0.8
188.04633	3.6
189.05458	1.9
189.06984	1.7
190.06290	3.5
190.07773	0.8
191.07037	2.3
191.08629	2.5
192.04179	1.6
193.08670	2.2
194.08266	7.5
198.03160	7.4
201.05374	1.0
203.06992	1.2
204.04060	0.8
204.05885	1.1
205.06531	3.0
205.08640	4.3
206.07314	3.2
207.08105	5.5
213.04208	1.2
216.04211	6.5
218.07259	1.5
218.16167	0.8
219.06238	6.2
219.08128	4.2
220.03433	1.4
220.05231	3.0
221.06004	3.2
221.08128	2.1
222.06749	3.3
223.07541	1.1
229.04977	3.0
229.07492	0.7
231.06528	100.0
232.04988	1.3
232.06975	1.8
233.06023	6.8
233.08101	1.1
234.06786	10.6
235.07549	11.1
236.08287	0.8
237.05472	1.0
237.09134	5.3
241.03787	2.2
245.06062	1.9
246.06667	0.9
247.03836	1.6
247.07680	0.9
248.04663	5.2
249.05417	3.1
250.06308	5.1
251.07054	2.0
252.07675	1.3
253.08508	1.0
254.09294	1.0
256.06082	1.3
259.04745	1.2
260.04681	2.2
261.05466	4.6
262.06247	16.1
263.07028	32.1
264.07834	2.2
265.05057	4.1
265.08606	9.7
266.05615	1.1
267.06519	1.0
267.09988	1.2
269.08124	1.0
269.11877	0.8
271.06009	0.8
271.09375	1.1
274.07074	11.5
276.04248	1.4
277.04959	2.0
277.08466	0.8
278.05658	1.1
279.06552	7.0
280.07141	1.8
281.08029	1.9
282.08853	2.6
284.06845	0.8
284.10275	1.5
289.07214	1.4
290.05789	8.4
291.06540	5.3
293.04459	3.5
293.08160	3.7
294.08856	5.2
295.06314	1.5
295.09644	3.3
296.10406	1.0
297.07593	2.2
297.11224	5.2
299.09048	1.6
302.13791	2.2
305.84561	0.8
306.05380	1.0
307.06122	4.4
307.09079	1.0
308.06714	8.9
309.07483	2.5
310.08194	0.9
311.09128	1.5
313.10754	1.0
318.05243	1.9
319.11768	10.0
321.03931	0.9
321.07443	1.6
322.04694	3.9
322.08319	2.3
323.09128	13.1
324.09753	1.5
325.07077	3.5
325.10736	6.2
327.08566	3.3
331.11749	3.2
332.14944	2.0
336.06177	3.1
337.06998	2.8
340.09317	4.3
342.11053	8.6
344.12582	1.1
351.08655	53.2
352.09174	2.4
355.11786	9.7
357.13284	9.2
358.16400	2.7
359.15155	3.8
368.08945	2.7
368.14908	1.3
383.11255	96.3
384.15225	4.1
385.12790	1.6
388.17474	2.2
394.12878	27.9
411.10788	10.6
414.15512	4.6
424.13928	63.1
425.14407	1.8
429.11823	22.8
430.12216	1.0
520.11877	1.1
520.19666	22.0
548.19220	26.3
549.19855	1.8
550.20752	6.5
561.22168	0.9
578.20227	8.2
715.28180	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	732.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56346	0.3
74.76792	0.2
94.16917	0.2
109.74789	0.2
114.09177	0.4
130.06155	0.2
142.08852	0.2
155.92119	0.2
157.32487	0.2
165.07030	0.8
167.07045	0.3
176.06244	0.4
177.06999	3.1
179.08551	0.9
189.07021	0.6
191.08569	0.8
194.07254	1.8
195.07947	0.3
205.06506	13.5
206.07152	0.5
207.08064	1.9
209.05937	0.3
209.09694	0.3
217.06624	0.4
219.08041	0.8
221.05949	0.3
222.06772	5.6
222.08937	0.3
223.07472	0.6
224.08234	0.5
233.05992	13.1
234.06589	1.1
235.07550	5.1
236.08208	0.3
237.09137	20.6
238.09441	0.7
245.05827	0.3
247.07576	0.3
250.06267	2.4
251.07010	0.7
252.07841	1.7
263.07098	2.6
264.07849	3.9
265.08618	48.9
266.09052	1.6
267.10428	0.2
280.07346	2.4
281.08133	0.3
295.09677	100.0
296.10052	3.5
311.12839	0.4
312.12326	25.8
313.12671	0.6
326.13882	0.3
509.99875	0.3
641.40283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16768	0.6
68.98132	0.5
70.54619	1.0
70.54975	1.5
71.04981	0.5
72.59472	0.5
80.33250	0.7
83.12579	0.5
115.05467	0.5
122.69170	0.5
123.04440	0.6
127.03885	0.5
128.94705	0.6
139.03795	0.7
153.07004	0.8
165.05713	0.5
165.07005	2.2
166.07784	1.6
167.08559	1.2
177.06941	1.2
179.08577	2.8
181.06410	1.4
181.10100	1.9
189.06989	1.4
190.07790	1.9
191.08566	12.9
193.06482	0.9
194.07271	3.5
195.08003	1.9
205.06488	6.1
206.07303	0.8
207.08072	6.9
208.08786	3.6
209.09622	6.9
217.06453	0.8
218.07204	2.0
219.08052	9.9
221.05989	2.6
222.04691	1.2
222.06783	16.7
223.07571	5.1
225.09149	3.2
233.06018	5.1
234.06816	0.7
235.07439	3.1
236.08353	4.2
237.09134	18.5
238.09492	0.8
239.07031	3.5
247.07639	4.0
249.05527	1.5
250.06311	3.8
251.07071	3.1
252.07747	1.7
253.08684	1.3
255.10234	2.2
263.07065	1.8
264.07901	1.3
265.08612	74.8
266.09140	3.5
267.06577	6.3
267.09277	1.0
269.11798	0.7
279.06561	2.9
279.10202	2.1
281.08157	1.1
282.08878	26.9
297.11227	100.0
298.11615	2.2
300.12219	1.2
304.61987	0.7
311.09201	5.7
314.13873	93.9
315.14105	2.9
328.11792	5.3
328.15237	1.0
406.54031	0.7
508.51141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05521	1.6
57.03436	1.8
57.07057	0.4
61.02927	6.0
67.05508	6.4
69.03435	3.0
69.07082	2.0
71.04996	0.6
71.27121	0.4
71.34712	0.8
73.02924	3.7
79.05495	4.7
81.03423	1.4
81.07062	7.4
83.08626	1.3
85.02914	4.8
87.04478	0.6
91.03954	3.3
91.05499	2.3
93.07053	5.4
95.04984	0.7
95.08615	4.9
97.02904	4.5
97.06536	0.9
98.21098	0.6
99.04456	1.0
101.02380	1.3
103.03943	0.5
105.07043	1.9
107.08621	3.8
109.02892	0.7
109.06470	0.5
109.10167	1.5
110.49965	0.4
111.74825	0.4
115.03988	0.5
117.05707	0.4
117.07037	0.7
119.08609	1.3
121.10140	2.6
123.11680	0.5
127.03955	1.6
128.90140	0.4
131.08595	1.2
133.10132	0.8
135.11717	0.9
143.08607	0.5
145.10149	0.8
147.11726	0.9
149.13290	1.7
159.11722	1.9
165.66049	0.4
235.13100	1.4
242.75897	0.4
243.08531	1.6
335.25775	0.7
453.20999	6.5
519.29291	5.4
731.43427	100.0
732.43768	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	728.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05302	1.3
55.05519	14.9
57.03436	10.9
57.07062	4.7
61.02916	2.0
61.72854	1.3
63.51488	1.3
66.56789	1.3
67.05510	64.5
69.03457	1.6
69.06718	2.0
69.07070	25.0
71.04980	3.4
71.08636	3.1
71.57632	1.7
71.58011	1.9
79.05495	28.9
81.03397	1.6
81.07063	73.9
82.07403	1.9
83.04989	3.0
83.08630	12.3
85.02900	3.0
85.06570	3.5
91.05482	16.4
93.07050	39.6
95.04971	4.9
95.08611	37.9
97.06544	7.4
97.10191	3.8
97.42364	1.4
99.08098	3.0
105.07040	9.3
107.08598	21.7
109.06499	2.5
109.10170	16.1
111.08071	5.1
117.07021	5.1
119.08572	6.4
121.06545	1.6
121.10156	13.6
123.08097	1.6
123.11677	4.5
131.08568	4.9
133.10110	6.9
135.08064	2.4
135.11693	7.2
137.13306	2.4
145.10115	1.6
147.11702	4.2
149.13277	20.4
156.32455	1.3
157.10120	2.2
159.11703	12.8
161.13281	2.1
171.11729	1.4
173.11736	1.5
177.12764	2.3
179.14011	1.5
184.07352	3.1
195.13734	8.1
203.17982	1.7
229.14340	8.5
236.73474	1.2
245.22823	1.3
263.23740	1.9
269.17502	84.9
270.17667	1.7
313.27429	3.3
320.27142	1.4
337.27390	54.4
338.27646	2.0
418.16840	1.5
444.89258	1.4
467.37326	4.2
486.07816	1.5
531.40509	100.0
532.40833	5.3
579.31934	1.7
599.49829	2.5
626.12866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01863	1.3
55.05514	13.3
57.03185	0.9
57.03442	9.3
57.07072	2.5
57.61250	0.6
61.02919	2.4
61.65590	0.6
65.03934	2.5
66.13041	0.6
67.05509	52.5
69.03419	1.3
69.07072	16.2
69.80037	0.6
70.99243	1.4
70.99585	0.7
71.05000	3.1
71.08627	0.8
73.02937	0.8
79.05499	35.4
81.03420	1.5
81.07062	63.7
83.04991	3.6
83.08623	9.3
85.02901	2.8
85.06544	2.6
91.05490	20.6
93.07050	50.7
95.04966	4.2
95.08613	30.3
97.02885	1.3
97.06538	6.2
97.10172	2.0
99.08087	1.7
105.04545	1.0
105.07038	12.9
107.04937	0.9
107.08600	27.5
109.06541	2.7
109.10163	10.3
111.08086	4.4
113.09631	0.8
117.07028	6.4
119.08577	6.7
121.06527	0.9
121.10146	17.6
122.03445	0.6
123.08102	1.0
123.11696	4.4
125.09615	1.1
129.07002	0.7
131.08578	9.7
133.10126	7.7
135.08057	1.4
135.11688	11.5
137.13232	1.0
139.11217	0.9
145.10135	4.6
147.11674	4.4
149.09723	0.6
149.13268	17.9
157.10098	0.7
159.11697	9.6
161.13283	2.3
163.14818	1.9
173.13290	2.7
175.14926	1.0
177.12773	2.8
185.13258	0.8
187.14886	1.0
195.13837	6.5
201.16475	1.0
213.14897	1.2
221.96408	0.7
243.21152	2.7
259.20496	1.0
259.26172	0.7
261.22156	8.7
267.16028	1.8
269.17490	51.0
270.17923	1.1
299.23758	1.0
317.24762	1.9
333.16162	0.6
335.25815	57.9
336.26175	1.8
437.34308	1.3
455.35626	1.0
529.38910	100.0
530.39185	4.4
547.39771	1.8
726.43402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03946	2.4
55.01880	3.4
61.02916	1.3
65.03941	2.2
68.99797	8.4
69.03421	4.3
70.06565	0.8
71.56019	1.5
71.56406	0.9
79.05492	1.8
81.03429	4.2
85.02911	9.4
87.04504	1.1
89.71488	0.8
91.05481	7.4
93.38206	0.9
95.04977	6.1
97.02892	4.4
105.07053	1.6
107.04963	100.0
108.05268	1.1
108.86140	0.8
109.02860	2.2
111.00800	3.2
111.04453	3.2
115.05439	1.5
117.06962	1.5
119.04951	70.9
121.02874	8.0
121.06492	1.1
123.04445	44.8
127.03885	5.5
129.07022	1.1
131.04964	2.3
131.08563	1.1
133.06470	8.8
135.04408	5.7
137.02390	1.3
137.05962	1.3
139.03911	47.3
141.06966	1.4
145.04900	1.2
145.05322	1.5
145.06496	18.6
147.04425	75.7
149.02336	8.6
151.03909	24.6
153.01846	1.3
153.07034	1.6
155.03409	1.4
157.06506	6.5
159.04437	1.2
159.07991	1.3
161.06006	8.0
163.03905	13.1
165.05496	6.9
165.06834	2.2
167.03427	17.1
169.06511	1.3
171.04420	14.6
171.08049	2.4
173.06003	1.2
175.03947	3.6
177.05518	3.1
179.03395	12.9
181.04984	2.0
181.06514	2.8
183.08055	1.9
185.06041	7.0
187.03976	3.2
187.07545	5.6
189.05487	14.7
191.03401	19.0
193.04990	3.8
195.02904	2.9
195.52286	0.9
197.05975	2.4
199.07573	5.8
201.05534	3.2
203.03394	10.0
203.07108	2.5
205.05028	3.4
207.06546	3.7
211.07567	1.9
213.05522	8.0
215.03339	2.1
215.07062	3.6
217.04872	1.4
225.05544	1.4
227.07069	8.1
229.04973	7.4
231.06541	51.0
233.04523	7.5
239.03526	1.1
239.07027	4.1
243.06570	13.7
245.04454	5.6
245.08160	7.9
251.05547	3.0
255.06560	22.5
256.06909	1.0
257.04492	16.4
257.08124	12.1
259.06027	3.0
267.06552	14.5
269.04437	3.1
269.08231	1.9
271.06006	2.0
273.07593	98.1
274.07947	1.2
275.05518	18.5
279.06320	1.1
285.07578	25.7
287.05508	23.4
291.08640	12.2
292.09073	1.1
297.04379	1.5
297.07651	4.7
299.05487	4.8
301.03488	2.0
301.06863	1.8
303.08725	2.6
315.08685	1.9
339.08664	1.3
375.07230	3.3
393.09729	14.8
395.11407	2.8
403.06644	2.5
409.09128	11.0
411.10745	15.1
427.10364	3.2
435.07260	1.2
435.12820	1.6
437.12390	1.8
447.12842	1.4
521.24231	0.9
537.10303	3.3
555.11047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1864
Annotation	Kaempferol 3-(3'',4''-di-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02383	0.1
53.03946	0.2
61.91093	0.2
63.02373	0.2
65.03939	2.0
67.45284	0.2
69.03439	1.0
71.15359	0.2
83.05008	0.8
85.87253	0.1
89.68098	0.1
91.05487	14.6
95.04993	0.3
105.03397	0.2
107.04967	0.4
109.92908	0.1
111.04453	1.1
119.04950	29.8
120.05302	0.4
121.02879	2.5
147.04417	100.0
148.04742	1.3
159.34961	0.1
161.02293	0.2
165.01855	0.3
172.31892	0.2
173.06023	0.2
175.03767	0.2
177.01886	0.2
189.01811	0.2
189.05504	0.2
195.02855	0.1
251.09201	0.2
257.08179	0.8
265.04919	0.2
283.06003	0.8
286.04688	0.4
287.05557	1.4
299.05499	2.8
300.06253	0.6
311.05515	7.9
323.09250	0.2
325.07080	0.4
329.06580	3.7
337.07043	0.7
339.04898	0.4
351.08572	1.1
353.06592	0.7
379.08145	3.4
397.09158	1.9
415.09756	0.3
429.09720	0.9
439.13870	0.9
443.07675	0.2
457.08997	0.5
457.71793	0.2
475.10364	2.0
499.10339	0.4
561.13678	0.6
579.14935	0.7
725.18829	1.1
750.20111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68382	0.4
51.71372	0.3
55.05514	3.3
56.84118	0.3
58.78870	0.3
63.02564	0.4
65.03935	1.3
69.82841	1.8
83.04987	15.9
91.05486	10.3
95.04967	3.1
97.02888	0.6
97.68375	0.3
103.48344	0.3
105.07014	0.5
107.04971	4.2
111.04449	7.0
119.04950	24.7
121.02892	0.9
123.04457	0.6
129.07069	0.4
131.04953	0.4
133.06474	0.9
145.06451	0.7
147.04417	100.0
148.04785	1.1
151.03926	0.6
152.06183	0.3
157.06483	0.4
159.08086	0.4
160.10954	0.4
165.07019	0.5
167.08611	0.4
169.04988	3.6
169.06366	0.6
170.07294	0.4
173.06004	3.1
185.06035	0.6
185.09618	1.0
187.07545	1.9
197.06015	0.6
210.31229	0.3
213.09151	4.5
215.07097	1.2
217.05090	0.4
229.08624	0.6
231.10164	1.3
257.08167	1.9
275.09128	3.6
287.05508	2.8
439.13937	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.9
57.03441	16.6
57.07061	3.0
61.02929	4.7
65.03929	4.3
67.05508	64.1
69.03413	5.2
69.07087	18.1
79.05501	46.9
81.03423	92.4
81.07061	65.5
83.04977	6.8
83.08619	20.0
85.02898	3.7
91.05488	36.7
93.07049	50.8
95.04978	27.6
95.08612	43.7
97.02893	4.9
97.10139	5.0
98.21633	6.7
105.07035	33.7
107.04963	8.4
107.08599	28.6
109.06503	6.5
109.10178	18.2
111.08082	7.5
115.05434	4.8
115.69635	3.2
117.07013	8.7
119.08602	24.1
121.10172	25.2
123.11714	5.9
129.07002	11.8
131.08588	17.6
133.06505	4.5
133.10164	15.5
135.11699	12.3
145.10107	12.3
147.08025	4.2
147.11644	13.7
149.09637	5.8
149.13284	7.3
151.11186	3.8
151.49603	3.6
157.10143	12.3
159.11670	7.0
161.13190	5.7
163.14810	3.6
168.32858	2.9
169.33289	3.4
173.13287	6.3
175.11194	7.3
193.12263	19.3
227.12740	4.7
229.31361	4.4
235.13383	3.6
243.21019	9.2
261.22095	19.1
267.15930	94.2
335.22021	6.8
335.25833	100.0
336.25809	3.6
337.27258	3.8
374.14618	3.7
435.32208	4.5
453.33475	5.0
474.05792	3.9
527.37335	40.1
528.37939	4.6
545.38324	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	725.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35168	0.2
53.00338	0.2
65.03954	2.0
69.03445	1.4
71.36026	0.4
79.05515	0.2
83.05021	0.3
91.05494	16.2
92.51703	0.2
95.05005	0.2
107.04948	0.5
111.04453	0.8
119.04960	30.5
121.02875	2.6
131.04935	0.2
147.04428	100.0
148.04855	1.3
163.14548	0.2
203.03416	0.2
227.06960	0.2
237.05528	0.2
244.98372	0.2
257.08041	0.6
283.06003	0.6
287.05527	2.0
299.05527	3.2
300.06290	0.4
311.05554	4.2
313.07190	0.2
323.05423	0.2
325.07065	0.5
327.04788	0.2
327.08676	0.3
329.06589	3.8
337.07080	0.7
339.04840	0.4
351.08682	0.8
353.06537	0.7
354.12421	0.2
379.08157	3.4
384.29556	0.3
397.09171	2.0
415.09650	0.4
429.09790	1.0
439.13864	0.8
442.62723	0.2
443.07373	0.4
457.09009	0.7
473.08157	0.2
475.10297	1.8
499.09787	0.3
543.12897	0.3
561.13861	0.9
579.15112	1.0
725.18500	0.6
754.96082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01875	1.8
55.05517	7.4
57.07091	2.1
65.21192	0.9
67.05510	11.9
69.03413	2.5
69.07073	16.5
70.81878	2.7
71.04987	1.0
71.77242	1.0
74.53913	1.0
79.05494	8.1
81.07063	46.3
83.04993	5.2
83.08614	3.2
85.02908	1.3
85.06547	2.2
91.05476	7.6
93.07047	23.5
95.04963	4.2
95.08609	22.5
96.49561	0.9
97.06522	5.1
97.10175	1.2
99.04461	5.4
99.08101	5.6
105.07035	27.5
107.08610	26.2
107.09338	0.7
109.06502	7.7
109.10152	18.2
111.04461	10.5
111.08096	1.9
111.11712	1.5
113.06030	5.4
117.07005	1.8
119.08576	17.4
121.06531	1.8
121.10150	18.7
123.04380	1.2
123.08094	2.6
123.11710	34.9
125.05988	11.1
127.04005	1.1
131.08583	5.7
133.10123	17.2
135.08089	2.8
135.11707	22.3
137.05962	5.2
137.09654	2.6
137.13260	3.5
139.03909	7.2
139.11127	3.2
141.05463	25.8
142.07875	1.3
143.08575	2.1
145.10130	8.6
147.04375	1.5
147.08051	1.9
147.11694	51.5
148.12009	1.3
149.09654	5.6
149.13264	17.6
151.07529	4.6
151.11224	5.4
153.05482	8.5
153.12752	1.7
155.07062	1.5
157.10143	4.7
159.11700	8.7
161.09633	2.4
161.13254	9.1
163.11180	3.9
163.14847	2.8
165.09230	1.7
165.12759	14.4
167.07034	3.0
171.08115	1.3
171.11731	2.6
173.09644	1.5
173.13281	2.5
175.07553	2.2
175.11174	13.0
175.14806	2.9
175.57269	1.0
176.11966	1.6
177.05554	1.6
177.09106	1.9
177.12764	3.1
177.16255	1.2
179.14325	1.1
183.11632	1.5
185.09665	2.4
185.13258	1.4
187.11209	2.0
187.14825	2.7
189.09106	3.4
189.12759	2.5
189.16458	1.7
191.10649	4.3
193.08604	7.1
193.10518	2.0
193.12239	14.6
195.10202	5.1
197.13116	1.3
199.11273	1.7
201.12737	2.1
201.16475	1.9
203.10670	2.4
203.18001	5.5
211.09665	4.2
213.16405	1.9
215.18025	1.7
221.11781	1.0
241.15860	2.7
243.17410	1.2
245.15471	1.7
257.22729	2.9
259.13431	1.4
259.16931	3.1
269.15295	4.6
271.16818	1.2
271.24329	1.5
277.17908	2.9
287.16437	20.2
289.17941	2.3
289.25327	2.5
293.08047	1.3
299.23697	1.3
301.17908	1.4
305.17474	35.6
307.19180	1.6
319.19119	3.2
323.18469	5.2
349.23752	3.1
371.25610	5.6
387.29037	2.1
389.26611	1.2
393.27567	1.4
411.28979	23.5
412.29367	1.5
429.30032	100.0
430.30234	3.4
447.31085	49.5
448.31113	2.5
465.31808	1.2
601.90753	1.2
742.27985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41455	0.6
62.35596	0.5
62.65110	0.5
68.99767	0.6
70.91354	1.2
85.02916	0.6
118.48835	0.5
123.04391	1.0
127.16469	0.6
127.31771	0.5
139.03888	3.2
161.05898	0.7
163.03877	1.5
165.05481	0.7
165.07018	1.8
177.05579	1.0
177.06992	8.5
181.10188	0.7
183.08058	0.8
191.08531	2.1
193.06403	0.9
194.07245	4.9
204.05605	0.6
205.06517	26.3
206.07114	1.0
207.08064	1.3
209.09627	1.8
211.07619	1.2
219.08057	3.0
221.06117	2.9
222.06781	13.4
223.07529	2.2
225.09082	0.6
233.06010	10.0
234.06795	1.0
235.07617	1.4
236.08212	1.3
237.09120	54.6
238.06238	1.6
238.09352	1.1
239.07115	3.6
247.07632	0.9
249.05507	2.4
250.06297	2.9
251.07042	7.3
253.08586	2.0
254.09425	3.4
264.07898	0.6
265.08621	100.0
266.09317	9.3
267.06577	7.1
279.06607	1.1
281.08148	2.8
282.08893	14.6
296.06815	4.2
297.11243	90.7
298.11536	3.0
311.09171	13.6
314.13882	69.8
315.14175	2.0
328.11902	8.4
341.10175	1.6
547.92133	0.6
578.16248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57561	0.5
91.05515	0.4
107.04930	0.5
116.63313	0.4
123.04459	0.4
137.05978	1.0
167.07066	1.4
167.08488	0.5
176.06267	1.1
177.05594	0.6
177.06979	4.0
179.08601	1.3
181.04938	1.0
189.07019	1.2
191.06964	0.7
205.06511	18.1
206.06908	0.4
207.08086	1.6
233.05983	15.2
234.06514	0.4
235.07549	28.5
236.07890	0.9
237.09085	0.6
245.05853	0.5
251.07133	0.5
263.07043	55.7
264.07446	1.4
293.08081	100.0
294.08340	2.7
310.10721	25.1
311.11136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16338	0.6
70.56852	1.3
98.24235	0.7
114.05510	0.7
165.06989	1.7
166.07735	1.6
176.02618	0.6
178.07593	0.9
179.08499	3.2
181.10107	1.8
189.07079	1.2
190.07849	2.4
191.08542	11.0
193.06517	1.1
194.07246	4.4
195.07994	1.7
205.06458	5.7
205.10690	0.8
207.08075	7.4
208.08931	3.0
209.09619	6.8
211.07640	0.7
218.07378	1.8
219.08072	9.4
221.05946	2.7
222.06781	13.8
223.07516	2.2
225.09113	3.2
233.05914	4.0
235.07574	3.6
236.08423	3.1
237.09129	19.7
239.06989	2.2
247.07568	4.2
248.04230	0.6
249.05569	1.5
250.06226	2.8
251.07072	1.3
251.10693	1.0
252.07964	0.9
255.10094	1.4
259.81277	0.6
263.06924	1.9
264.07840	1.7
265.08618	67.8
266.09137	3.5
267.06485	5.3
267.09320	1.0
279.06564	1.2
279.10190	2.2
281.08231	1.1
282.08884	28.0
283.09433	2.1
291.29987	0.7
297.11230	93.2
298.11795	3.0
300.12439	1.7
311.09158	1.5
313.10220	0.8
314.13876	100.0
315.14197	2.8
328.11783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08693	0.5
53.03937	0.7
65.03918	0.6
67.34984	0.5
70.52103	0.6
70.52457	1.5
79.05481	0.8
81.07055	0.7
91.05482	7.4
93.07043	6.1
95.04953	2.7
103.05471	3.6
105.04500	0.9
105.07044	0.7
107.04900	0.5
115.05443	1.7
118.04090	0.6
119.04932	4.3
120.05732	0.7
121.06507	33.1
123.04414	1.5
131.04863	0.5
132.05676	1.7
143.04875	1.2
144.05669	1.5
145.06451	0.6
147.04405	0.6
151.07539	7.8
155.07033	0.9
160.05208	3.4
164.07053	0.7
165.06891	0.7
167.07014	1.7
170.03539	0.5
171.04457	1.1
175.07562	1.1
177.07034	0.7
178.07736	1.1
179.08578	2.4
181.04929	1.2
181.06506	1.1
188.04668	1.7
189.06973	3.0
190.07771	0.5
191.08553	2.0
192.04120	1.4
194.08073	2.5
198.03133	1.8
198.76357	0.5
203.06950	0.6
204.05692	0.5
205.06493	3.4
206.07201	4.1
207.06490	0.8
207.08099	6.6
209.05927	0.6
209.09599	1.2
216.04141	2.1
217.06487	1.5
218.07303	0.9
219.08104	4.2
220.03772	0.5
220.05272	4.9
221.06015	3.2
221.07846	0.7
222.06754	2.7
223.07535	0.6
229.07758	0.6
231.06528	51.1
232.05156	1.2
232.07124	0.7
233.05962	8.1
234.06747	12.6
235.07539	11.5
236.08235	0.8
237.05479	1.2
237.09088	5.4
239.07050	0.7
241.03645	0.7
245.06044	2.0
246.06769	0.5
247.03957	0.6
247.07443	1.1
248.04703	6.3
249.05469	2.6
250.06212	5.4
251.07013	1.7
252.07826	0.8
254.09399	1.8
260.04715	4.4
261.05426	4.1
262.06256	21.1
263.07037	36.7
264.07620	1.8
265.05020	4.8
265.08621	10.5
265.11377	0.6
267.06418	1.6
267.10239	1.1
269.08002	1.3
274.07022	2.5
275.03534	0.6
276.04150	1.7
277.05060	1.1
278.05740	1.1
279.06421	5.2
280.07285	2.8
281.08151	2.3
282.08832	2.6
284.06900	1.0
284.10104	0.4
288.04184	0.5
289.05026	0.9
290.02463	0.6
290.05734	12.1
291.06516	6.7
292.07230	1.0
293.04486	2.9
293.08087	3.6
294.05389	1.0
294.08844	2.5
295.06418	0.8
295.09738	2.2
297.07629	1.8
297.11234	5.6
299.09128	1.3
300.08316	0.5
305.08142	1.0
306.05341	0.8
307.06058	4.6
308.06766	9.5
309.07599	1.6
310.08356	0.9
311.05692	0.5
311.09134	1.1
318.05334	2.9
319.05869	0.9
321.07629	1.6
322.04727	3.5
322.08426	2.0
323.09161	14.9
324.09753	0.8
325.07040	1.9
325.10703	4.3
327.08578	5.2
335.05374	0.7
336.06354	2.4
337.07117	2.7
340.09497	1.9
342.11014	7.7
350.07864	1.0
351.08640	68.0
352.09006	2.3
355.11774	1.9
357.13354	6.8
358.13617	0.5
359.11505	0.7
368.08908	2.3
373.12521	0.7
383.11264	100.0
384.11728	2.8
385.13373	0.5
387.10779	1.5
394.12854	19.9
411.10788	1.9
429.11829	1.7
520.19733	13.7
521.20087	0.9
548.19177	55.0
549.19574	2.2
550.20691	9.1
578.19281	0.6
606.67114	0.6
715.28302	4.4
723.92346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
65.03948	1.7
70.09759	3.3
70.69289	0.7
78.42690	0.8
80.06255	0.7
86.76254	0.7
91.05488	41.6
93.07037	1.8
94.07745	0.7
95.04978	10.8
103.05484	1.7
105.80808	0.8
108.05774	0.9
112.03091	0.6
115.05453	3.0
117.07013	1.0
118.04161	0.9
119.04098	1.6
119.04953	29.2
119.08575	0.8
121.06520	11.5
123.04465	1.9
123.08050	0.9
131.04959	0.7
132.05722	4.9
135.04538	0.7
136.05212	3.7
137.06013	3.2
140.04787	0.7
143.04942	1.5
144.05786	1.9
145.06534	1.0
147.04401	1.6
147.08015	0.8
151.07555	100.0
152.07904	0.7
155.07066	4.7
160.05215	7.4
167.07013	1.7
170.03639	1.7
171.04387	1.7
173.06027	0.8
175.07541	1.1
178.07822	1.3
179.06963	0.8
179.08537	1.4
181.04994	1.3
188.04688	3.2
189.07016	1.9
191.08667	0.9
192.04227	1.7
194.08162	1.3
198.03120	3.0
203.07040	1.5
205.06538	3.0
206.07329	3.3
207.06407	1.0
207.08102	4.7
209.09767	1.1
216.04143	4.1
218.07347	1.1
219.08089	2.9
220.03458	1.3
220.05299	3.2
221.06003	2.8
222.06766	2.0
231.06540	76.1
232.05038	1.1
233.05989	5.3
234.06790	10.5
235.07587	9.5
237.09152	4.0
241.03789	2.9
245.05800	1.4
247.03947	0.8
247.07558	1.4
248.04680	5.1
248.68394	0.7
249.05598	2.2
250.06317	3.8
251.07053	1.8
254.09401	1.5
256.06137	1.6
260.04758	3.0
261.05542	3.7
262.06277	15.4
263.04184	1.5
263.07037	28.9
264.07718	1.1
265.04987	3.7
265.08618	5.8
266.99878	1.7
267.06750	1.3
267.10284	1.1
269.08054	1.5
274.07114	11.0
276.04272	2.0
277.05066	1.5
277.08545	0.9
279.06561	3.3
280.07330	1.3
281.08170	2.1
282.08893	2.1
286.07156	2.8
290.05750	7.7
291.06421	4.8
292.07388	0.9
293.04474	3.0
293.08115	3.7
294.08997	1.1
295.06223	1.0
295.09720	2.1
297.07935	1.2
297.11276	3.8
300.08789	1.0
305.08035	0.7
306.05472	0.9
307.06012	1.8
308.06857	6.7
309.07486	2.2
313.07101	0.8
318.05386	2.0
321.07684	1.2
322.04843	1.7
322.08319	1.4
323.09186	10.9
325.07303	1.6
325.10742	2.6
327.08713	3.0
336.06296	1.1
337.07147	2.1
340.09631	0.9
342.11053	4.5
345.09766	0.8
350.08090	0.8
351.08640	48.4
352.09161	1.7
355.11743	0.9
357.13327	7.4
368.09067	1.8
368.14981	1.7
383.11267	72.8
384.11581	2.4
387.10889	1.5
394.12732	1.5
411.10956	1.4
422.06705	1.9
424.13943	97.7
425.14383	2.7
520.19720	25.5
548.19354	2.1
550.20624	2.6
578.20276	16.6
579.20966	1.0
715.28406	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	714.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05518	4.9
56.05045	4.1
57.07072	2.6
60.04521	1.8
65.03927	0.5
67.05172	0.7
67.05509	11.4
69.03431	0.9
69.07076	6.2
70.06581	2.1
70.68043	0.9
70.68402	0.9
71.08617	1.4
74.29629	0.4
79.05065	0.7
79.05498	10.3
80.05022	3.0
81.03465	0.5
81.05785	1.8
81.07057	8.7
82.06580	4.9
83.08628	4.5
84.08133	0.5
85.02908	2.0
85.10183	0.9
91.05489	7.8
93.07046	8.3
94.06576	16.5
95.04979	0.9
95.07353	6.9
95.08613	7.3
96.08148	4.6
97.10161	1.8
105.07034	5.7
107.08610	4.1
108.08145	2.5
109.10181	3.1
110.09692	0.8
111.11729	0.6
119.08596	4.4
120.08149	0.6
121.10149	5.4
122.09683	2.3
123.11739	1.1
133.10129	3.7
135.11687	3.4
136.11227	0.9
147.11693	1.3
149.13266	0.8
161.13242	1.2
163.14943	0.4
222.75388	0.4
233.22639	3.9
245.22696	4.3
250.25275	6.7
254.24919	1.6
260.23831	0.6
262.25311	100.0
263.25677	1.9
264.26767	0.5
272.25861	4.6
280.26376	5.8
291.08371	0.5
314.27142	0.6
416.04062	0.5
442.31308	0.9
489.18198	0.5
504.47745	5.2
516.47797	25.8
517.48004	1.8
518.49377	5.0
534.48804	15.4
535.49304	0.7
657.84283	0.5
696.54340	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	714.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05515	6.9
55.99164	0.6
56.05048	4.4
57.07085	3.5
58.06593	0.9
60.04519	2.1
67.05172	0.8
67.05508	10.7
68.05035	1.5
69.03423	1.6
69.07074	5.9
70.06590	1.4
70.82631	1.3
70.82966	0.8
71.08617	1.4
79.05498	9.7
80.05013	2.5
81.05791	1.5
81.07059	10.0
82.06578	6.2
83.08620	4.2
85.02895	1.8
85.10168	1.0
91.05490	7.8
93.07048	10.7
94.06572	16.8
95.04963	1.7
95.07357	7.3
95.08615	8.8
96.08131	5.5
97.02873	0.8
97.06517	0.7
97.10164	2.5
105.07046	6.1
107.07330	0.6
107.08594	4.7
108.08109	2.0
109.10178	3.6
111.11752	0.9
119.08578	4.4
120.08098	0.6
121.10152	5.3
122.09656	2.4
123.11714	1.4
130.81573	0.6
133.10143	4.4
135.10429	0.9
135.11703	3.8
137.13281	0.8
147.11688	1.4
149.13261	1.2
161.13261	0.7
184.52512	0.6
217.19586	0.8
233.22746	3.0
245.22754	4.8
247.39487	0.6
250.25307	7.6
254.24823	0.7
262.25317	100.0
262.83298	0.7
272.25775	4.7
280.26279	5.9
311.94070	0.6
408.98038	0.6
451.52664	0.7
466.73557	0.7
504.47916	5.8
516.47827	29.1
517.48029	1.5
518.49365	5.8
534.48865	15.4
696.54071	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
61.05631	0.7
65.03944	2.2
66.04728	1.5
67.05509	1.1
69.75246	0.7
69.93440	4.2
77.03953	1.2
78.04745	1.2
79.05509	1.9
81.07062	1.6
91.05489	10.1
93.07037	8.8
94.04177	2.0
95.04970	3.7
95.08626	0.9
98.21420	0.9
103.05474	6.6
105.03388	1.9
105.07018	1.5
107.04968	1.7
109.06526	6.3
110.03692	1.4
111.04469	1.8
115.05511	1.0
117.07057	1.1
119.04957	1.3
121.06508	48.5
125.06015	1.8
132.05721	2.0
133.02885	5.0
135.08049	1.7
137.05984	24.6
138.06801	1.6
139.07578	2.7
144.26845	0.8
145.06522	1.6
147.04465	1.3
147.08057	1.2
151.03925	5.0
151.07542	2.7
153.05466	15.5
153.06584	1.3
159.09462	0.7
160.05225	1.7
165.05507	10.7
167.07124	1.3
171.04466	1.6
174.03255	1.0
175.07602	1.0
180.06599	5.8
181.04977	1.9
188.04739	0.8
189.07079	0.8
192.04362	0.8
198.03136	1.5
207.08087	0.9
208.06038	4.2
209.09624	1.0
216.04251	1.9
219.07956	0.9
230.08148	5.0
231.06523	24.9
233.06018	0.8
234.06831	1.3
235.07541	1.6
236.08430	1.0
239.07475	0.8
247.07564	2.0
248.08441	1.1
249.05676	1.8
249.09143	3.5
250.06398	1.5
251.07111	2.0
251.10530	1.6
252.07762	1.0
253.03719	1.9
253.08591	1.9
254.09442	2.1
256.06204	3.0
260.04736	0.9
260.08551	1.1
262.06201	1.7
263.06934	3.8
264.07697	1.7
265.08734	2.6
266.09436	0.9
267.10150	1.7
268.07532	0.8
274.06583	3.5
275.06979	1.2
276.07846	6.7
277.05222	1.5
277.08670	5.0
278.09406	2.4
279.10172	9.7
280.07455	2.7
281.08203	1.5
281.11786	2.1
282.08929	7.2
285.11356	1.2
286.07123	14.3
286.10037	1.4
288.07886	1.0
289.08456	0.8
290.08917	0.8
291.06625	3.3
291.09860	0.8
292.07251	4.8
293.05054	1.0
293.08200	4.5
293.11432	1.3
294.08624	1.6
295.09711	2.0
296.10547	2.3
297.11282	2.9
299.09244	2.1
302.05728	1.7
303.12207	3.8
304.07394	5.3
305.08102	3.0
306.05362	1.7
306.08649	8.6
307.06259	1.7
307.09631	3.6
308.06787	4.3
309.07471	1.7
309.10992	1.4
310.08658	0.9
311.09161	6.3
311.12466	1.6
314.11609	3.6
315.12408	0.8
318.09003	1.7
319.06183	0.9
320.06732	3.9
321.07672	4.0
322.08398	3.0
323.05701	0.9
323.09119	3.7
325.06842	1.3
325.10721	26.9
326.11194	1.1
327.12036	1.3
328.11978	1.5
334.08426	3.3
335.09116	15.9
337.07040	2.0
337.10681	12.6
338.07898	1.6
339.08673	1.1
339.12122	4.0
340.13055	26.4
341.13849	2.5
346.08447	2.6
349.10791	1.3
351.08575	7.3
352.09323	5.6
353.10196	3.7
355.11996	1.9
364.09280	1.3
365.10315	4.9
366.10791	10.4
367.11768	23.8
369.09705	1.0
370.11047	0.9
379.11868	11.4
381.09711	9.1
384.12219	2.4
385.12878	1.1
394.13120	2.4
397.12915	1.3
399.10873	1.0
406.13077	2.2
423.09158	0.9
424.14273	1.4
466.18597	1.4
480.98389	0.9
531.16199	11.7
532.19501	1.7
544.19965	1.0
548.19141	37.7
549.18628	2.2
558.18304	0.9
566.20331	1.8
571.77759	0.8
575.20258	9.8
576.19031	1.6
593.21552	1.7
612.17090	1.0
695.26166	3.7
713.26984	100.0
714.27234	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	712.536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05506	3.8
56.05024	3.0
57.07070	2.6
60.04517	0.9
65.03961	1.6
67.05508	12.4
68.05032	1.2
69.03426	1.4
69.07080	6.4
70.06579	1.6
70.62323	1.6
70.62656	1.7
71.08630	2.4
72.04503	1.1
79.05483	11.3
80.05016	3.3
81.05797	0.8
81.07060	12.1
82.06575	8.4
83.08617	4.5
85.02921	2.1
85.10197	1.0
91.04964	1.7
91.05482	17.6
93.07056	8.7
94.06565	23.2
95.04970	2.3
95.07356	5.0
95.08607	8.9
96.08125	2.7
97.02885	0.9
97.10183	1.9
98.20774	1.0
105.07038	11.8
106.06572	4.8
107.08588	7.1
108.08126	8.9
109.10139	4.6
110.09727	1.0
115.05456	1.1
117.07007	6.1
119.08582	12.0
120.08133	2.8
121.08908	0.9
121.10155	5.0
122.09729	5.4
123.11716	1.8
129.07053	1.2
131.08568	8.7
132.08102	2.5
133.09007	1.6
133.10138	6.9
134.09654	7.5
135.11676	1.8
136.11145	1.1
137.13293	1.3
145.10135	5.6
146.09671	2.3
147.10463	2.4
147.11699	3.0
148.11177	4.4
149.13260	2.1
159.11699	2.5
161.13300	2.2
173.13287	1.8
175.14857	1.1
186.81326	0.9
203.18022	1.2
231.21092	9.8
243.21141	9.1
248.23741	9.6
254.24768	1.8
260.23743	100.0
261.24255	2.2
272.25937	5.6
278.24780	9.9
502.46069	4.8
514.46271	10.3
516.47559	4.1
532.47314	25.8
597.48169	2.2
694.52283	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	708.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38461	0.6
69.62120	3.8
71.04987	0.9
82.54961	0.5
96.08157	0.7
139.03908	0.7
163.04050	0.5
165.06950	1.3
167.08527	0.9
176.22301	0.5
177.05608	1.0
177.07008	1.0
179.08475	0.8
181.97649	0.7
182.07309	1.2
193.06467	5.0
194.07239	1.1
195.08102	1.4
205.06491	1.2
207.08145	1.5
210.06776	3.9
220.05377	0.9
221.05974	11.9
221.07980	1.0
222.06674	3.0
223.07562	3.6
225.09129	0.9
233.05983	1.6
235.07542	1.7
237.05428	1.3
237.09178	1.0
238.03918	0.7
238.06258	11.4
239.06975	1.9
240.07828	2.4
249.05501	13.1
250.06252	4.1
251.07050	35.9
252.07486	1.0
253.08636	12.5
263.07111	0.7
265.08633	2.1
266.05829	3.8
266.08459	0.6
267.06604	3.2
268.07214	2.1
278.05566	0.9
279.06534	10.3
280.07272	3.1
281.08112	17.0
282.08804	0.7
296.06802	31.4
297.07721	0.6
297.11157	3.7
311.09155	100.0
312.09460	3.0
314.13797	0.8
328.11819	69.3
329.12088	2.1
439.25192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01867	1.4
65.66837	0.7
66.21974	0.6
68.99775	0.7
69.03413	1.3
69.91142	3.1
70.06567	0.8
73.02897	0.8
78.77206	0.6
81.03407	1.5
83.05033	0.6
85.02905	3.3
86.81616	0.5
91.05452	1.7
93.03387	0.9
95.01317	0.8
95.04977	1.2
97.02885	1.8
98.20848	0.7
103.21703	0.6
107.04945	1.7
109.02891	0.9
109.04596	0.6
111.04424	1.2
121.02848	0.6
121.06502	2.7
123.04465	5.4
127.03925	1.0
133.06439	0.8
135.04417	5.9
135.08104	0.8
136.05170	1.0
137.05998	3.0
138.06746	1.3
139.03908	17.0
147.04434	2.1
148.05212	9.1
149.06015	2.8
151.03928	5.3
151.07532	4.2
153.01819	2.3
153.05466	1.6
154.06244	4.2
159.04442	1.1
161.05991	1.8
162.06723	0.9
163.02542	1.1
163.03906	16.9
163.07558	2.0
164.08311	2.5
165.01875	1.0
165.05472	3.6
165.09058	1.3
166.06288	3.7
167.03323	1.0
167.07080	6.3
169.06450	0.7
169.08583	3.3
175.03960	1.8
175.07565	0.7
176.08363	2.5
177.05487	11.9
179.03387	2.1
179.07025	3.2
180.07800	3.5
181.05138	2.2
181.08603	100.0
182.08992	1.5
185.28854	0.6
189.05508	0.7
190.06244	1.5
191.07092	2.9
192.07826	39.3
193.04964	7.7
193.08539	1.0
195.10170	5.8
196.07297	1.4
203.03424	1.0
205.05026	0.9
205.08508	0.7
207.10161	4.3
208.07297	1.5
211.06102	1.0
211.09622	1.4
217.66985	0.6
223.09677	30.7
224.09988	0.8
225.11176	5.8
226.08385	0.9
229.05063	0.7
241.10719	59.7
242.11130	1.5
245.15567	0.7
247.05882	0.9
255.02866	0.8
257.06628	0.8
259.06033	1.2
260.42651	0.5
269.04669	0.6
271.06009	1.1
273.04123	1.4
283.02213	0.7
283.06009	1.3
287.05457	0.9
301.03702	0.9
301.07248	1.3
301.10617	1.1
307.08218	0.9
312.10052	0.8
313.03601	0.7
313.07092	0.9
315.05209	0.7
331.11731	0.8
343.11929	3.8
355.11673	0.7
359.07614	1.1
359.34058	0.7
359.62851	0.6
361.12872	5.1
377.08627	0.6
379.13873	7.8
380.14249	0.7
435.07312	0.8
521.10767	1.1
539.12219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03934	1.4
55.01881	2.7
55.05500	0.4
56.36230	0.4
65.03943	2.9
67.05502	2.7
68.99794	1.4
69.03432	1.1
71.01171	0.6
71.01531	0.8
76.05842	0.4
77.03902	0.8
79.05503	5.0
81.03416	1.2
81.07053	0.8
82.04163	0.6
82.61089	0.4
83.04953	0.7
85.02906	2.1
91.05492	2.5
93.03419	1.1
94.24371	0.4
95.04978	5.8
97.02866	1.1
97.06551	0.7
103.05471	0.6
105.03405	1.5
105.04536	0.6
105.07045	2.1
107.04958	13.1
109.02860	1.6
110.03688	0.8
111.04439	1.6
115.05387	0.9
117.06998	1.1
119.04956	5.9
121.02858	0.6
121.06523	0.6
122.03736	0.4
123.04436	37.3
124.05225	2.5
125.05973	1.8
127.03909	1.7
131.04944	0.7
133.06488	3.2
135.04436	4.4
137.02328	1.2
137.05997	1.2
137.26112	0.5
139.03908	14.9
140.04701	0.5
142.02612	1.0
143.04895	1.2
145.06464	2.1
147.04417	17.9
149.05893	0.8
149.10773	0.4
151.03911	100.0
152.04463	1.3
153.05478	2.8
155.07080	1.0
159.04454	0.5
161.06009	6.3
163.03914	6.1
165.05499	8.6
165.06914	0.8
165.39787	0.4
167.07054	23.8
169.05057	0.5
169.06488	0.6
171.06589	1.7
173.06020	5.3
175.03899	1.3
179.07051	1.7
181.04967	44.9
183.06564	0.8
187.07562	0.8
189.05464	1.9
191.06976	0.7
193.04999	4.3
193.06645	0.5
193.06960	0.6
193.08623	5.6
197.06056	0.7
201.05444	4.1
205.08595	2.6
206.05779	1.0
207.06541	3.5
215.07039	1.3
217.08641	2.0
221.08096	10.7
233.08075	4.7
239.07103	0.5
243.06606	1.0
249.07626	4.9
257.07874	0.6
261.07669	0.5
265.08768	0.4
267.06589	0.7
285.07635	3.3
303.08646	72.0
304.09000	1.3
304.56964	0.4
387.14413	16.2
403.13898	56.0
404.14273	1.5
415.13879	25.4
416.13995	0.5
513.09772	0.5
646.89459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01886	1.2
55.05511	6.5
57.03425	0.7
57.07067	2.9
59.05006	3.9
67.05504	11.7
69.03413	1.3
69.07069	23.9
69.36983	6.8
71.05009	1.3
71.08614	0.7
79.05495	8.2
81.06578	1.8
81.07059	35.8
83.04984	4.0
83.08630	5.5
85.02885	1.0
85.06544	2.2
91.05458	4.7
93.07043	14.9
95.04987	1.5
95.08611	36.8
97.06546	3.7
97.10167	1.9
99.04443	1.2
99.08067	1.0
105.07040	11.3
105.07700	1.3
106.42060	0.7
107.08594	14.5
109.06544	4.5
109.10156	22.2
111.04475	6.7
111.08090	1.5
111.11726	2.5
113.06023	5.9
117.07037	1.8
119.08582	8.2
121.10146	12.7
123.08055	2.4
123.11713	18.4
125.06000	9.2
125.09631	1.5
127.03905	1.2
131.08524	2.2
133.10143	7.9
135.08110	1.1
135.11681	12.6
136.84669	0.9
137.05978	4.3
137.09567	1.2
137.13255	20.4
139.03928	5.1
139.11150	1.9
141.05473	18.0
143.08531	1.0
145.10141	3.3
147.11691	9.1
149.09634	2.4
149.13264	9.1
151.07541	2.2
151.11209	2.1
151.14830	0.7
153.05470	8.0
155.07060	1.7
157.10086	2.5
159.11674	6.1
161.09654	1.3
161.13271	7.3
163.11212	3.0
163.14822	5.3
165.09085	1.0
165.12759	2.3
167.07062	1.7
171.08028	1.1
171.11678	1.7
173.09610	2.1
173.13243	2.4
175.07561	0.9
175.11201	4.4
175.14761	2.0
177.09099	2.0
177.12708	1.9
177.16362	1.7
185.09610	1.8
185.13173	1.0
187.11253	1.5
187.14865	1.2
189.09085	1.6
189.12703	1.8
189.16386	2.7
191.10689	2.2
191.17941	1.2
193.08557	1.7
193.12259	2.0
195.10155	4.9
199.11214	1.2
199.14842	1.1
203.10689	2.7
203.18092	1.1
205.19594	1.4
209.11803	2.4
211.09650	1.3
213.16418	1.7
217.19685	1.2
219.21036	1.4
221.11760	1.0
227.14276	1.4
241.15895	1.2
243.21162	1.9
245.15439	1.5
259.17023	1.9
261.18381	0.9
263.16418	2.0
273.18613	1.1
273.25797	1.9
277.17947	2.2
279.19833	0.8
289.18048	1.2
291.26868	1.8
291.84619	0.9
300.39905	0.8
301.25272	0.9
303.22903	0.8
317.21045	1.2
325.40518	0.8
355.26288	1.2
373.27408	12.2
395.29483	1.9
413.30518	45.6
414.30853	2.7
431.31592	100.0
432.31747	4.5
449.32663	11.6
522.67828	0.8
524.10919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20898	1.1
51.87516	0.9
52.53509	1.0
55.01881	0.9
61.80407	1.0
70.06588	2.1
71.56553	1.5
79.05466	1.1
85.02946	1.2
90.97609	1.1
135.16353	1.0
137.05962	1.7
138.05524	4.7
139.03870	1.2
147.04448	1.5
165.06926	1.2
177.05548	1.4
177.06891	5.0
178.07628	1.8
179.08609	3.0
187.07561	1.7
187.57761	1.3
189.07028	1.6
191.08517	2.4
194.07277	2.2
205.06511	14.9
206.07091	1.2
207.08084	2.5
209.09561	1.6
219.08018	2.1
221.05780	1.1
222.06725	5.6
223.07518	1.3
233.05936	8.0
235.07541	68.1
236.07970	1.7
237.09113	10.0
242.99600	1.1
247.07559	1.3
250.06248	1.9
250.69017	1.0
252.07635	1.0
263.07034	39.5
264.07816	5.8
265.05878	2.0
265.08606	22.7
280.07343	7.7
285.13541	2.9
285.63745	1.7
295.09662	100.0
296.10034	2.1
297.11276	2.5
312.12305	83.2
313.12659	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	705.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03947	1.3
53.13559	0.4
53.45210	0.4
55.01875	3.4
56.71075	0.5
65.03944	1.2
67.05523	2.1
68.99765	0.6
69.03417	1.7
69.03755	0.4
69.31548	4.0
70.34255	0.4
79.05503	4.3
81.03434	1.2
81.07079	0.8
82.04226	0.6
83.05026	0.6
85.02916	1.4
91.05480	2.4
93.03391	1.2
95.04955	3.5
95.08588	0.5
97.02905	1.5
97.06549	0.6
105.03397	1.2
105.07041	1.4
107.04970	8.6
109.02882	1.9
110.03675	0.6
110.27985	0.4
111.04470	1.3
115.05431	0.6
117.07031	1.1
119.04952	7.2
121.02865	1.0
121.06483	0.9
123.04441	46.6
124.05203	1.6
125.02402	0.5
125.06005	1.7
127.03925	1.7
131.04962	0.6
133.06505	1.6
135.04420	5.1
137.02351	1.4
137.06023	1.5
139.03918	18.3
143.04915	1.2
145.06496	2.3
147.04422	26.5
149.06058	0.5
151.03918	77.2
152.04340	1.0
152.56261	0.4
153.05478	3.1
155.06053	0.5
157.06444	0.6
161.05998	5.7
163.03925	7.6
165.05498	10.4
167.07056	15.7
169.05006	0.5
169.06389	1.0
171.06509	1.3
173.05991	6.2
175.03947	1.1
175.07582	1.3
177.05496	1.1
179.03435	1.1
179.07056	1.6
181.04976	26.7
182.05360	0.4
183.06563	0.5
189.05492	2.0
193.05011	6.0
193.06731	0.6
193.08603	1.7
197.06026	0.9
199.07553	0.6
201.05484	3.2
205.08620	1.2
207.06558	5.3
211.07556	0.8
215.07079	1.3
217.08603	1.5
221.05995	0.5
221.08060	6.1
231.06493	0.6
233.08154	3.7
239.07074	1.2
243.06570	0.9
249.07649	1.8
257.08005	0.5
261.07590	0.8
264.81775	0.4
267.06613	0.9
279.88278	0.5
285.07654	3.9
303.08655	100.0
304.09009	1.7
387.14426	12.8
388.14679	0.5
403.13907	25.1
404.14185	1.1
415.13910	16.0
416.14423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62432	0.5
56.17899	0.6
56.43700	0.5
62.60419	0.4
71.55744	0.6
75.89257	0.5
92.88923	0.5
92.96078	0.4
100.11250	1.8
103.47273	0.5
128.71027	0.5
163.07574	0.8
165.07039	0.6
167.06993	0.5
177.06990	2.0
177.09148	1.4
179.08571	0.7
189.07114	0.5
194.07294	2.2
195.08029	0.6
205.06503	12.4
206.07188	0.6
207.08023	1.4
219.08066	0.7
221.05875	0.6
222.06776	6.0
223.07512	0.6
233.03778	0.9
233.05984	13.0
234.06665	0.8
235.07536	3.6
236.08090	0.6
237.09116	18.0
250.06252	2.7
251.07056	0.9
252.07869	1.1
260.52676	0.5
263.07092	2.5
264.07803	3.4
265.08606	47.2
266.09006	1.4
280.07303	2.2
295.09668	100.0
296.10007	4.1
312.12320	27.2
313.12549	1.1
314.13028	0.5
326.28018	0.5
331.15634	0.8
453.34439	2.9
469.62091	0.5
475.74753	0.5
518.71582	0.8
540.52997	0.6
636.20532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
69.31707	2.0
69.32113	6.6
79.05498	1.0
91.05483	11.2
93.07051	13.1
93.40677	0.8
95.04982	5.3
98.21449	1.7
103.05482	11.0
105.04526	0.9
105.07030	3.8
107.04923	1.1
115.05460	4.9
117.07047	4.7
118.04095	1.0
119.04960	1.4
119.08508	1.1
120.05710	2.0
121.06516	100.0
123.04441	1.3
130.74167	0.9
131.04938	2.4
131.61232	0.7
132.05746	2.3
133.06503	5.2
138.09212	1.1
143.04955	2.7
144.05705	1.7
145.06499	5.9
147.04446	1.2
148.07591	1.8
155.05975	1.4
155.07080	2.3
159.04390	1.0
160.05157	5.7
161.06033	8.3
164.07069	3.5
167.07089	5.2
167.08363	1.1
170.03696	1.2
171.04445	1.6
173.05995	5.8
174.03107	1.1
175.07492	1.0
178.06277	0.9
178.07813	1.4
179.08699	1.7
181.04913	3.0
181.06392	1.6
182.08116	1.3
187.03938	1.2
188.04698	3.2
189.05507	1.2
189.07047	0.9
190.06261	5.2
190.07726	1.2
191.07027	2.9
191.08574	1.8
192.04117	1.1
193.08591	1.4
194.07307	2.4
198.03111	4.5
205.06499	2.9
205.08614	3.7
206.07280	3.8
207.06367	1.2
207.08092	4.9
209.09645	1.2
216.04149	4.6
217.06599	1.1
219.06496	2.8
219.08366	4.7
220.05257	2.6
221.05951	2.2
221.08054	1.8
222.06718	3.1
222.12947	0.9
223.07442	1.4
227.07132	0.9
229.04974	2.0
229.07520	1.0
231.06535	77.2
232.07019	1.8
233.06067	5.3
234.06783	9.7
235.07542	7.1
237.05386	1.2
237.09085	5.2
243.06416	1.0
244.05873	1.0
245.06297	1.2
247.03775	0.9
247.07693	1.0
248.04649	4.8
249.05420	2.7
250.06241	5.4
251.07054	2.3
253.08530	1.1
254.09453	1.1
260.04758	3.2
260.77344	0.9
261.05402	3.5
262.06293	14.9
263.07059	27.1
264.04355	1.2
265.04999	3.1
265.08618	8.5
267.06589	2.1
267.10196	1.9
274.07178	4.0
277.05005	1.0
278.05762	1.0
279.06442	4.3
281.08112	2.5
282.08853	3.2
289.07275	1.0
290.05847	8.0
291.06485	5.5
292.07297	1.2
293.04398	2.5
293.08109	5.7
294.05295	1.5
294.08817	3.2
295.06415	1.1
295.09549	2.0
297.07779	2.1
297.11288	6.8
299.09244	1.5
301.06699	0.9
302.13943	2.7
307.06067	2.4
308.06747	6.6
309.07635	1.6
310.08289	1.4
318.05307	2.0
319.11740	8.7
321.07526	1.0
322.04755	1.7
322.08401	2.4
323.05402	1.6
323.09103	11.4
324.09805	1.1
325.07236	1.7
325.10703	6.8
327.08572	4.8
331.11566	1.9
336.06400	0.9
337.07016	1.5
340.09448	2.5
342.10892	11.5
343.11371	1.0
344.12732	0.9
351.08658	53.4
355.11765	6.0
357.13330	12.1
358.16373	3.8
359.14890	3.1
368.08878	1.9
368.14972	2.3
383.11285	63.1
384.14728	8.2
386.63904	1.0
394.12888	42.9
395.13275	1.4
411.10852	13.0
429.11853	17.0
520.19720	36.2
521.20105	1.9
548.19214	39.9
549.19244	1.3
685.27228	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82726	0.7
63.35838	0.7
65.07922	0.7
68.19701	0.6
69.80091	3.6
113.73348	0.6
121.79631	0.7
125.91113	0.6
129.69627	0.6
138.05472	1.1
165.07031	2.3
166.07799	3.0
167.08603	0.8
177.07018	1.4
179.08586	3.4
181.10147	1.7
189.06996	0.8
190.07811	2.2
191.08562	13.7
192.79356	0.6
193.06459	1.6
194.07327	3.8
195.08055	2.8
205.06526	6.2
207.08075	8.4
208.08873	2.5
209.09601	8.2
210.90392	0.7
217.06401	1.1
218.07182	1.7
219.08087	10.7
220.08922	0.8
221.06023	2.2
221.09636	0.7
222.06773	14.8
223.07549	1.7
225.09113	3.1
233.05997	5.1
235.07477	3.5
236.08281	3.8
237.09120	21.5
239.07069	2.4
247.07607	4.4
248.08350	0.7
249.05524	1.5
250.06241	3.0
251.07089	1.7
251.10486	0.7
252.07813	0.9
253.08815	1.1
255.10190	1.7
263.06989	2.2
264.07944	1.2
265.08612	71.6
266.09076	4.0
267.06537	6.2
279.10199	1.8
282.08881	27.8
283.09198	1.3
297.11227	100.0
298.11414	3.8
308.06253	0.7
314.13876	90.4
315.14175	2.0
435.72821	0.7
702.26917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20154	0.8
93.20795	0.9
138.05542	2.2
165.07018	3.0
166.07819	2.3
177.07005	1.9
178.07738	1.2
179.08571	3.0
181.06512	1.2
181.10159	2.1
184.22890	0.8
189.07062	1.0
190.07770	1.1
191.08562	11.9
193.06413	2.0
194.07277	3.9
195.08113	2.1
205.06497	6.2
207.08069	8.4
208.08820	2.0
209.09616	7.0
218.07318	1.1
219.08061	9.3
221.06053	2.0
222.06778	11.8
223.07480	2.4
225.09152	3.1
233.06038	4.7
235.07613	4.2
236.08244	2.6
237.09132	20.7
237.11198	0.8
238.05884	1.0
239.07082	2.5
246.06879	0.9
247.07568	3.4
250.06215	3.9
251.07082	1.7
253.08514	1.1
254.09279	1.1
255.10226	1.5
263.07028	1.5
265.08606	74.4
266.09225	3.1
267.06531	5.2
279.10156	1.5
282.08844	24.6
282.11649	2.0
297.11224	100.0
298.11438	1.9
314.13870	84.1
315.14258	3.3
327.49188	0.9
358.88535	1.0
430.50739	0.9
606.85059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89563	0.4
66.25186	0.3
71.56483	0.5
74.75201	0.4
88.45179	0.5
122.44204	0.4
126.90351	0.4
133.10222	0.3
165.06952	0.7
167.08417	0.5
169.21169	0.4
177.07016	2.5
178.07791	0.5
179.08540	0.7
189.06949	0.6
191.08600	0.6
194.07332	1.8
205.06503	14.3
207.08055	1.3
208.08711	0.4
215.79350	0.4
219.04298	0.4
219.08206	0.7
222.06818	4.6
224.08324	0.7
233.05980	13.7
234.06644	1.0
235.07596	4.8
236.08093	0.4
237.09131	21.4
238.09431	0.6
250.06268	2.9
251.07101	0.8
252.07889	1.9
263.07095	2.7
264.07819	3.2
265.08615	51.3
266.08969	1.8
267.10107	0.4
280.07358	2.9
295.09677	100.0
296.10004	3.6
297.10214	0.5
312.12332	35.3
313.12576	1.1
415.43378	0.5
599.13434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20126	0.3
60.71085	0.4
62.54367	0.4
69.68703	1.8
76.96777	0.4
99.63680	0.3
106.57164	0.3
108.88496	0.4
130.12584	0.3
177.07007	3.6
179.08545	0.8
191.08485	0.6
194.07272	1.7
205.04573	0.7
205.06506	11.5
206.07120	0.5
207.08051	1.2
209.09660	0.4
217.06473	0.3
219.08093	0.7
222.06763	4.7
233.05992	13.0
234.06665	1.2
235.07529	4.6
237.09122	20.8
238.09447	0.6
242.75259	0.3
248.32379	0.3
250.06212	2.3
251.07022	0.7
252.07884	1.7
263.07013	2.0
264.07816	3.5
265.08621	51.5
266.09024	2.1
279.06406	0.7
280.07315	2.1
295.09674	100.0
296.10010	4.0
297.10559	0.3
299.86896	0.3
312.12323	32.3
313.12598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70312	0.6
53.03943	0.8
55.05517	5.3
57.03437	3.7
57.07079	36.5
61.02642	1.1
61.02929	13.6
66.99091	0.6
67.05507	11.8
69.03434	1.5
69.07076	8.2
71.04993	1.0
71.08635	29.6
71.15746	1.4
73.02923	5.2
75.04477	2.3
77.79856	0.6
79.05482	2.1
81.03368	1.1
81.07059	16.2
83.08622	9.4
85.02426	1.2
85.02912	17.2
85.06544	1.0
85.10186	16.9
90.10722	0.6
91.03959	15.2
91.05482	0.8
93.07036	2.1
95.08614	25.9
97.02891	8.5
97.10175	9.2
99.04478	1.0
99.11719	0.9
105.07030	1.5
107.08591	1.3
109.10153	10.4
111.11713	3.8
115.03889	1.0
119.08623	0.8
121.10141	0.9
123.11706	5.1
125.13272	0.8
127.03910	5.3
131.08580	1.0
133.10088	1.0
137.13271	2.4
143.08556	0.8
145.04962	7.2
145.10159	1.3
151.14732	0.7
157.10109	0.9
159.11710	0.7
163.06032	12.4
249.25737	1.1
267.26828	23.0
285.27905	4.3
341.30505	100.0
342.30814	2.8
359.31555	28.4
360.31818	1.2
512.94318	0.7
518.96893	0.7
606.72540	0.7
713.16992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41676	2.1
53.03943	2.3
55.05513	30.7
57.03437	8.5
57.07082	16.1
61.02933	26.7
67.05509	37.8
69.03424	4.5
69.07073	45.4
71.04969	2.2
71.08620	10.7
71.35246	3.2
73.02924	11.5
79.05499	18.0
81.07064	44.3
83.08626	35.1
85.02901	33.8
85.06561	3.4
85.10194	5.8
91.03967	30.7
91.05476	4.5
93.07033	25.8
95.08607	48.2
97.02882	15.4
97.06556	8.8
97.10164	25.1
107.08607	17.2
109.10155	21.7
111.08105	6.8
111.11719	9.7
121.10155	45.8
123.11711	6.8
125.09692	2.8
127.03932	11.0
134.18263	2.0
135.11690	31.9
135.55327	1.9
136.41457	1.9
137.13260	3.9
139.11153	3.4
143.14333	2.5
145.03912	1.8
145.04927	9.7
149.13274	14.2
151.14897	3.6
153.12773	2.8
157.12305	2.3
163.06024	23.0
163.14798	6.7
165.16417	4.5
191.17929	1.9
199.95753	1.8
247.24251	43.2
256.32703	1.9
265.25287	100.0
266.25510	2.5
283.26331	17.1
339.28949	96.8
340.29208	2.7
357.30008	53.3
367.50446	2.1
381.53497	2.0
417.36447	2.2
553.67688	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	699.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69898	0.3
67.33135	0.3
69.30869	1.3
69.31292	1.4
85.02916	1.1
91.05504	1.0
97.02885	0.4
98.21590	0.6
111.04460	1.1
115.05474	0.9
117.05788	0.8
117.07047	1.4
118.06554	18.6
120.32471	0.3
124.06706	0.3
130.06578	1.7
132.08101	4.9
139.03938	2.8
142.06535	2.2
143.07309	1.7
144.04424	0.4
144.08096	12.3
145.05006	0.4
146.06021	63.0
147.06334	0.6
149.05940	0.4
151.02179	0.3
159.09207	5.0
160.07579	1.4
163.03934	0.5
170.06033	4.0
171.06522	2.9
179.78539	0.3
188.07082	100.0
189.07428	1.6
205.09740	49.1
206.10069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.0
59.20468	1.3
69.03413	3.4
69.33531	10.9
70.06585	2.1
75.57006	1.1
82.99863	1.5
85.02898	5.6
97.02895	3.5
98.65321	1.2
98.97555	1.3
101.00880	6.9
107.04863	1.3
109.02895	2.1
114.76990	1.2
116.98631	2.1
119.01929	20.4
121.01714	2.0
123.04443	6.1
127.02422	3.0
127.03904	5.4
131.01909	4.7
135.04349	2.3
137.02943	1.8
137.05981	1.6
139.03914	6.9
141.03937	2.3
143.01900	24.4
145.01694	1.5
145.03488	26.4
145.04745	2.1
155.01910	14.7
157.03481	4.9
159.05070	7.3
161.01680	2.4
161.02968	27.6
162.03011	1.7
163.02625	1.5
163.04721	6.3
167.01918	10.3
167.07074	1.2
169.03473	14.0
170.39284	1.2
171.01355	1.5
171.05054	2.0
173.02972	21.4
175.04526	3.3
179.42950	1.3
183.05028	4.4
185.01343	2.9
185.02972	40.9
187.02977	1.2
187.04541	26.6
189.00989	1.3
189.02484	7.0
189.06056	1.4
191.02245	2.8
191.04012	2.7
197.02966	5.3
199.04527	4.5
201.06032	3.2
203.04031	17.9
205.03658	2.2
209.02979	1.9
210.05991	1.3
211.04572	10.5
213.02481	5.0
215.04135	6.0
219.01830	1.5
221.05000	2.3
223.04610	4.9
225.02248	1.3
227.03926	5.0
229.05513	7.7
231.03549	9.5
233.05051	1.4
237.02550	2.4
243.03612	1.3
245.05161	10.3
247.04742	2.5
251.06325	2.5
255.03531	7.8
257.01407	1.6
257.04678	1.5
263.06137	3.3
265.05515	2.5
267.03821	1.2
273.08109	1.3
275.02484	13.2
281.07306	8.5
283.05890	1.5
283.08783	2.5
287.05588	7.2
291.09076	1.6
293.03616	4.0
299.02444	7.2
305.03500	2.5
317.03326	2.9
321.10291	2.5
323.08237	4.3
335.04691	4.7
349.09772	2.1
351.11432	2.6
352.08023	2.2
353.07529	3.6
365.05670	2.5
367.10715	2.1
371.08014	1.7
393.08609	2.6
402.80118	1.3
409.08859	2.4
413.09216	1.9
419.06686	6.7
437.07761	22.2
455.08856	100.0
456.08826	4.3
497.11084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05297	2.3
55.05510	22.9
57.03431	6.7
57.07059	8.4
61.02922	23.1
61.71384	2.3
63.86246	2.1
65.03949	2.5
66.07988	2.1
67.05175	4.6
67.05506	65.6
69.03402	3.2
69.07079	22.7
71.04996	3.2
71.08634	5.6
71.26662	2.2
71.54980	3.9
71.55341	2.6
73.02905	7.6
75.04487	2.6
79.05492	20.6
81.07055	85.4
83.08615	22.3
85.02893	23.6
85.10191	4.4
91.03957	17.2
91.05498	16.0
93.07049	28.6
95.04942	2.5
95.08604	76.3
97.02895	12.3
97.06537	5.5
97.10170	13.4
105.07011	10.6
107.08589	19.5
109.06501	3.4
109.10162	41.6
111.08085	5.5
111.11656	3.8
113.09627	2.7
117.07024	2.5
119.08596	14.2
121.10157	19.6
123.11703	19.3
127.03900	10.8
131.08554	4.7
133.10170	17.5
135.11656	13.6
137.09586	3.7
137.13242	7.0
143.08580	2.5
145.00104	2.7
145.04948	12.3
147.11681	9.3
149.13248	8.6
151.14809	10.2
155.14363	3.6
159.11633	3.4
161.13298	14.3
163.06035	20.9
163.07315	4.2
163.14807	10.2
165.16380	9.1
166.87390	2.4
175.14795	9.2
179.18001	7.3
181.15828	2.6
189.16347	6.5
234.77815	2.5
245.22662	62.1
263.23700	100.0
337.27365	62.4
355.28452	10.9
372.12952	2.3
390.74475	2.5
442.85385	2.3
499.32285	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
55.05291	1.1
55.05516	9.6
57.03421	4.1
57.07071	3.3
61.02931	25.3
62.57827	0.9
65.03931	1.6
66.52374	0.9
67.05507	57.1
69.03415	3.7
69.07070	8.8
70.28003	3.6
71.04981	3.2
71.08632	1.8
73.02915	9.8
77.53474	1.2
79.05498	33.5
79.05962	1.7
81.02962	0.9
81.03416	2.9
81.07061	61.9
83.08165	1.1
83.08613	5.4
85.02431	2.0
85.02912	28.9
85.06556	1.9
86.16860	0.9
91.03404	1.8
91.03961	28.3
91.05482	18.8
93.07048	45.2
95.04971	2.8
95.08610	47.7
97.02897	17.5
97.06521	2.9
97.10172	2.5
99.04444	2.9
99.08098	2.8
105.06393	1.3
105.07047	15.5
107.08600	30.4
109.02869	1.5
109.10169	27.0
111.08096	2.5
113.09637	2.7
113.59214	1.0
115.03961	2.3
117.07049	8.0
119.08592	12.4
121.10149	31.7
123.08112	1.3
123.11709	16.6
127.03925	9.5
127.11119	1.2
131.08571	16.1
133.10136	13.2
135.11707	24.0
137.09631	2.1
137.13239	5.6
139.11166	1.5
145.04962	14.2
145.10120	11.8
147.11719	9.1
149.13263	17.0
149.14384	1.7
151.11183	1.4
151.14828	1.6
159.11719	12.0
161.13268	11.7
163.06021	24.8
163.11192	1.0
163.14847	15.8
165.12805	1.7
167.14311	1.1
173.13264	15.3
175.14796	3.2
177.12753	1.6
177.16367	6.1
179.14333	2.7
187.14847	8.0
191.14310	1.5
201.16386	2.9
205.15953	1.5
215.17928	1.5
219.17461	1.3
233.19101	1.0
233.22668	3.2
243.21095	38.2
261.22153	100.0
262.22650	1.9
263.23737	2.0
279.23254	3.0
279.48660	0.9
335.25809	18.4
353.26855	52.5
354.27316	2.5
497.30789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29194	0.5
71.56162	0.7
81.48045	0.5
94.53827	0.5
114.09160	1.2
123.04424	1.0
126.70016	0.7
137.05765	0.5
139.03880	1.7
165.05464	0.6
165.07079	1.2
177.07005	9.0
179.30374	0.9
191.08586	1.9
194.07288	6.6
195.08131	0.8
202.68648	0.6
205.06505	28.5
206.06813	0.6
207.08090	1.5
209.09624	2.1
211.07472	0.6
219.08107	1.4
221.06023	1.3
222.06772	12.2
223.07518	1.1
225.09108	0.8
233.06018	9.2
234.06804	1.5
237.09119	57.2
238.09546	1.2
239.07031	3.6
250.06317	3.9
251.07079	2.8
254.09332	3.8
265.08612	100.0
266.09274	7.8
267.06473	6.0
282.08896	11.5
287.05435	1.8
297.11227	95.5
298.11548	2.6
314.13876	66.2
315.14227	1.6
328.11673	1.1
384.75644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	1.1
55.05260	0.8
55.05515	11.9
57.03440	7.8
57.07079	2.7
57.87070	0.4
59.37138	0.3
61.02930	26.3
65.03959	2.3
67.05508	74.9
68.05840	0.9
69.03438	3.6
69.07074	11.8
69.90714	2.0
70.06622	0.4
71.05004	2.6
71.08633	1.3
73.02921	9.1
75.04487	1.3
76.23755	0.4
77.03933	1.1
79.05495	39.0
81.03438	2.0
81.07061	82.2
82.07417	0.5
83.04992	1.7
83.08621	7.4
85.02910	31.3
85.06541	3.3
91.03961	23.4
91.05482	22.9
93.07050	53.7
94.07353	0.5
94.78733	0.4
95.04986	3.7
95.08612	63.4
96.04448	0.5
96.08930	0.4
97.02894	15.0
97.06532	4.0
97.10178	4.3
99.04461	1.7
99.08078	3.0
101.02391	0.5
103.03937	0.8
105.04518	0.8
105.07037	17.4
107.04930	0.5
107.08600	38.1
108.08881	0.5
109.02900	1.5
109.06534	1.6
109.10162	36.2
110.10528	0.7
111.08084	2.1
111.11723	1.1
113.09638	1.9
115.03957	2.0
115.05492	0.5
116.06210	0.6
117.07025	9.2
119.08590	15.8
121.10152	35.7
122.10519	0.6
123.08049	2.1
123.11713	19.3
124.12078	0.6
125.09639	2.1
127.03931	9.6
129.07011	0.6
131.08577	20.7
133.10139	15.7
135.08096	0.9
135.11702	27.0
136.12007	0.5
137.09599	2.2
137.13271	6.7
139.11188	2.1
143.08545	0.5
145.04979	11.0
145.10124	15.5
147.11694	12.9
149.09634	1.0
149.13269	22.8
151.11185	2.2
151.14824	2.3
153.12752	1.7
157.10217	0.6
159.10680	0.3
159.11693	14.1
161.13268	10.9
163.06026	16.7
163.11189	1.6
163.14833	13.6
165.12755	3.1
165.16396	0.6
167.14236	0.7
173.11768	0.9
173.13274	17.3
174.13657	0.8
175.14850	3.2
177.12813	1.4
177.16405	5.4
179.14365	3.0
181.12189	0.6
181.15837	0.5
185.13249	0.5
187.14838	9.7
188.18144	0.4
189.16365	1.4
191.14328	2.1
193.15889	0.6
201.16394	3.6
205.15854	1.6
209.15306	0.5
215.17969	1.2
219.17438	1.5
223.16798	0.4
233.19008	0.5
233.22600	3.1
243.21094	36.4
244.21498	0.7
261.22150	100.0
262.22513	2.7
263.23727	1.3
269.17325	0.4
279.23187	5.3
283.19159	0.6
297.20459	0.6
317.24759	1.1
325.11646	0.5
335.25803	30.5
336.26099	1.1
353.26877	46.9
354.27109	1.2
369.24313	0.5
479.30130	0.6
497.31119	5.4
704.03314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01865	7.0
55.05263	2.1
55.05513	34.7
57.03434	20.2
57.07069	1.9
59.04990	2.5
61.02919	8.9
65.03937	3.4
67.05506	100.0
69.03435	3.6
69.07070	17.3
69.59869	2.3
69.60269	8.8
71.01366	2.0
71.02010	1.2
71.04990	7.3
73.02902	5.1
74.32429	1.3
79.05493	40.9
81.03423	13.2
81.07059	77.5
83.04971	10.0
83.08617	23.9
83.09101	1.9
85.02902	16.2
85.06548	4.7
87.04468	3.8
90.36806	1.5
91.03956	3.0
91.05485	29.0
93.07048	44.6
93.07633	2.8
95.04978	8.1
95.08614	20.9
97.02901	4.5
97.06536	12.4
97.10170	14.8
105.07047	10.2
106.11623	1.2
107.04940	3.5
107.08597	25.8
109.06512	4.1
109.10162	51.3
111.04473	1.5
111.08086	9.5
116.04729	1.8
117.07019	8.7
119.08588	8.9
121.06492	1.4
121.10140	11.2
123.08093	1.6
123.11716	3.8
125.09638	16.4
129.05449	4.6
129.07001	2.9
131.08578	8.5
133.10146	12.4
135.08087	3.4
135.11720	9.5
137.09579	2.7
143.10666	2.4
145.10117	4.5
147.08018	1.6
147.11732	4.6
149.13263	11.7
151.11185	2.0
153.12773	3.6
155.10680	4.7
157.10191	3.2
159.11714	8.5
163.11150	8.9
165.12747	2.9
173.09644	1.7
173.11728	13.4
175.11177	1.6
177.12791	3.6
181.12215	4.4
191.10686	2.8
193.12260	4.6
195.13840	13.8
199.11629	1.7
199.13216	7.9
209.11751	6.1
211.13239	2.9
227.12743	6.6
229.14365	45.0
230.14568	1.4
239.16422	2.8
267.15823	8.3
269.17471	45.0
283.15421	5.7
285.16977	1.8
301.16446	15.7
392.82495	1.4
393.26419	2.1
411.27383	4.3
423.27448	26.6
477.28491	3.1
495.29523	48.3
496.29712	1.5
513.30573	23.6
543.68469	1.6
623.33618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03443	1.8
58.06601	2.5
65.03937	2.9
68.05024	2.0
68.99804	3.1
69.03432	3.8
70.06597	73.0
71.56689	2.4
76.70612	1.6
79.05497	3.8
81.03424	2.0
81.07076	2.6
82.06576	4.3
83.04990	4.1
84.08137	2.5
85.02919	4.6
86.06087	3.8
91.05478	4.2
93.03391	1.4
94.06560	5.7
95.04974	2.6
96.08127	8.6
97.02876	2.8
97.58531	1.5
100.07607	7.4
105.03390	1.5
106.94605	1.4
107.04964	5.7
109.02908	2.0
111.04472	5.5
112.07642	3.6
114.09177	93.3
117.07033	1.4
119.01942	2.3
119.04950	3.1
119.35095	1.6
121.06541	2.7
123.04433	38.1
125.02362	1.4
127.03917	5.6
131.04976	2.2
135.04416	19.9
137.02325	3.9
137.06012	3.3
138.09143	2.9
139.03912	56.0
143.01993	2.5
147.04362	7.6
149.06038	3.0
151.03894	11.9
153.05487	5.0
157.03458	1.7
157.06519	1.9
159.04491	2.1
161.03006	1.9
161.06029	5.1
162.09186	1.7
163.03911	27.8
163.07547	3.9
165.05449	8.9
167.07088	2.7
169.06520	1.9
175.03949	2.8
175.07536	3.7
176.07088	2.2
177.05508	5.2
178.08725	2.4
179.03468	2.7
179.07011	3.6
180.10304	3.5
181.06548	2.2
183.08334	1.8
185.02980	3.6
185.05998	2.3
187.03955	5.6
187.07591	2.4
188.07204	1.5
189.05591	3.0
191.03398	1.9
191.07047	8.8
193.05109	1.8
193.08688	2.3
197.06021	2.1
203.03659	3.1
203.07072	6.3
204.10258	2.4
208.09714	3.4
213.05513	3.4
215.07133	3.3
216.10063	1.8
220.09767	5.2
222.11234	12.9
227.07118	3.2
229.05109	3.8
234.11328	4.1
238.10860	2.8
239.07117	2.4
240.12228	9.8
241.05009	5.8
243.06599	4.1
245.04773	2.1
250.10941	1.7
252.12387	3.3
255.06625	6.6
257.04568	6.5
259.06027	6.4
267.06503	2.7
269.04523	18.2
271.06024	15.0
273.07697	7.0
281.07602	2.5
283.06070	21.8
285.07645	6.9
287.05463	4.7
293.08160	4.1
295.06039	3.4
295.09479	2.5
297.07623	3.8
299.05539	2.8
301.07294	7.5
307.09814	2.8
309.07813	2.6
311.09283	7.6
313.07205	2.0
321.07529	2.5
323.08972	3.7
325.10648	2.4
327.08615	2.0
329.10086	1.9
335.09100	3.5
339.08624	8.0
351.07956	2.1
352.12012	4.6
353.10510	3.3
360.14487	16.3
366.13559	5.1
370.12817	14.8
372.14532	2.3
384.14502	16.0
402.15506	89.8
403.15936	2.3
404.16995	2.9
421.09329	2.9
522.17688	24.0
530.16510	7.7
540.18396	7.9
674.22540	3.6
692.23315	100.0
693.23822	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	692.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01875	1.6
56.05043	1.3
57.03436	0.9
58.06591	2.7
67.05503	1.2
67.06267	0.5
68.05019	1.3
68.99803	1.2
69.03418	0.9
69.83447	1.8
69.83841	1.2
70.06599	47.2
72.04521	0.9
74.79253	0.7
79.05495	2.3
81.07061	3.1
82.06597	3.0
83.04987	1.6
84.08144	2.3
85.02913	0.7
85.53354	0.6
86.06069	2.1
88.40995	0.6
88.60287	0.6
89.38381	0.7
91.05485	0.9
93.07078	1.5
94.06562	3.7
95.04948	1.6
96.08138	5.8
100.07634	4.9
103.05474	1.0
105.03394	0.9
105.07020	1.1
107.04943	3.2
110.09690	1.3
111.00786	0.9
111.04454	2.2
112.07630	2.8
114.09178	71.1
115.09547	0.7
115.68963	0.6
119.04961	1.7
121.06540	1.3
121.74760	0.6
123.04439	24.5
127.03957	1.7
129.06947	0.9
134.09639	1.0
135.04439	8.8
136.07614	0.9
137.02357	1.7
137.05986	1.9
138.09171	2.1
139.03909	29.5
145.06512	1.7
147.04414	5.0
149.06015	3.7
151.03922	6.8
153.05435	3.6
159.04428	1.5
161.06036	2.5
163.03920	16.0
163.07578	2.5
165.05513	4.3
167.07133	1.4
171.04520	1.3
175.03972	0.8
175.07578	1.3
176.07031	1.2
177.05489	2.4
178.08791	0.8
179.03395	1.4
179.07094	1.9
180.10211	2.0
181.06482	1.5
185.06049	1.7
187.03914	2.0
187.07597	1.5
189.05530	1.9
191.03436	2.3
191.07040	5.7
191.08607	0.9
192.06618	1.0
193.04961	0.8
193.08545	0.8
197.06001	0.7
201.05550	1.5
202.08690	1.2
203.03477	1.8
203.07066	1.2
204.10236	2.5
207.03119	0.7
207.06586	1.5
208.09692	1.1
209.08093	0.8
211.07664	0.9
212.86072	0.7
213.05530	2.8
215.07088	1.6
217.05035	1.2
220.09711	3.3
222.11281	9.0
227.07085	0.8
229.05046	2.2
231.06459	1.1
232.09732	1.2
234.11356	1.6
237.05562	1.8
238.10840	2.4
240.12331	10.6
241.04959	3.0
241.08719	1.0
243.06580	2.7
245.04459	0.9
250.10857	1.0
252.12366	1.4
253.05075	0.8
255.06651	2.5
257.04385	3.5
259.06018	4.8
265.05063	2.4
265.08755	1.0
267.06631	2.1
269.04489	17.0
269.07724	0.9
270.05179	1.0
271.06009	8.9
271.08911	0.9
272.06857	1.1
273.07690	2.5
279.06546	1.2
279.10605	0.7
280.07571	0.8
281.04596	2.3
281.08231	2.5
283.06064	17.6
283.09149	1.2
285.07538	6.2
293.08173	3.9
295.06085	2.3
295.09610	1.4
297.07614	5.5
299.05563	2.9
301.07108	3.3
303.08810	1.1
307.09778	2.1
309.07620	3.7
311.09229	6.6
321.07574	3.0
323.09183	1.4
325.07144	1.1
325.10806	1.6
327.08588	2.3
335.09100	1.7
339.08694	7.5
341.10217	0.8
342.13397	0.7
352.11819	4.1
353.10449	1.4
360.14481	14.7
366.13419	3.4
370.12878	14.9
372.14542	2.1
382.13055	1.9
384.14423	9.4
400.13959	1.3
402.15475	15.2
403.16281	0.7
411.10745	1.3
421.09235	2.5
435.10825	1.1
473.12466	0.7
491.13220	1.1
504.16574	1.9
522.17657	21.2
522.25507	1.2
523.18085	0.9
540.18854	5.8
552.18530	1.3
674.22583	3.1
692.23401	100.0
693.24103	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	692.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
56.05028	1.1
58.06591	3.2
68.05040	1.1
68.99798	2.4
69.03438	2.3
69.40851	1.0
70.06598	67.6
71.56001	1.1
72.04498	1.1
79.05499	3.1
81.07053	2.8
82.06572	2.9
83.04980	1.8
84.08148	3.6
85.02932	2.0
86.06056	2.4
88.10924	1.1
91.05485	2.3
93.03434	1.4
94.06596	5.0
95.04974	2.0
96.08134	9.0
97.02917	1.1
100.07653	6.8
105.07059	1.1
107.04962	5.8
109.02861	0.9
111.00832	1.7
111.04459	2.0
112.07610	4.9
114.09177	100.0
119.04996	2.1
121.06524	2.2
123.04436	34.2
127.03979	1.4
129.06992	1.4
131.04918	1.3
133.06517	1.3
135.04417	14.4
137.02376	3.4
137.05983	2.0
138.09161	4.2
139.03915	46.1
145.02843	2.2
145.06523	2.0
147.04425	5.8
149.05989	4.1
151.03925	11.9
153.05434	4.8
159.04445	1.9
161.06021	3.0
163.03918	24.8
163.07558	4.0
164.07071	1.2
165.05504	5.6
166.08597	1.1
167.07103	3.0
171.04463	1.2
175.03943	1.3
175.07610	1.7
176.07098	2.0
177.05499	3.7
178.08662	1.2
179.03444	2.9
179.07063	2.3
180.10217	4.5
181.06496	2.1
181.08632	2.8
185.06038	2.8
187.03941	3.2
187.07452	1.5
189.05493	4.3
191.03403	2.0
191.07045	8.4
193.04999	1.6
197.06062	2.0
201.05508	3.3
203.03336	2.4
203.07111	4.0
204.10251	2.8
205.05003	1.5
208.09680	1.3
213.05524	4.1
215.03394	1.3
215.07085	4.2
217.04996	1.5
217.08614	0.9
220.09772	6.0
222.11285	16.1
225.05418	1.6
227.07124	2.8
229.05031	2.8
230.40431	1.1
231.06537	1.2
234.11339	1.9
237.05539	2.2
238.10815	3.1
239.07207	1.3
240.12329	13.7
241.05054	6.0
241.10765	2.0
243.06587	3.6
245.04536	1.4
247.05988	1.4
249.05502	1.1
250.10979	1.4
251.07169	1.8
252.12523	1.4
253.04938	1.3
255.06636	4.0
257.04425	4.9
259.05960	5.4
265.04993	2.8
266.05554	1.1
267.06555	2.4
269.04477	23.4
269.07721	1.9
271.05994	13.1
272.06931	1.1
273.07675	3.4
279.06662	2.7
279.10266	1.7
281.04788	1.9
281.08212	3.0
283.06049	24.9
283.09045	1.0
284.06638	1.3
285.07666	6.9
293.08109	4.6
295.06070	3.2
295.09528	2.3
296.06680	1.4
297.07648	6.6
297.10724	1.6
299.05615	3.1
299.09198	2.2
301.07095	6.5
303.08759	1.3
307.09662	2.6
309.07642	3.8
311.05756	1.1
311.09061	11.9
321.07443	5.1
323.09293	2.4
324.12375	1.1
327.08746	3.1
328.11926	1.6
328.15610	1.6
339.08676	10.9
342.13300	2.2
348.12381	1.2
351.08899	1.9
352.11884	7.2
353.10614	2.0
360.14401	24.7
366.13370	4.8
370.12848	19.0
372.14554	2.2
382.12848	2.3
384.14413	13.1
400.13779	3.1
402.15500	24.3
411.11050	2.7
421.09290	3.4
439.95282	1.1
491.13538	1.5
504.16605	2.1
522.17596	30.4
530.16815	3.1
540.18542	7.9
674.22229	3.2
692.23364	93.1
693.24335	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	692.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
55.01869	0.5
56.05035	0.5
58.06603	1.3
65.03947	0.6
66.02786	0.3
67.05495	0.3
68.05006	0.7
68.99795	0.7
70.06597	25.2
71.13519	0.7
72.04521	0.5
72.85891	0.2
74.06101	0.4
75.70863	0.2
79.05495	1.0
81.07048	0.7
82.06583	1.1
83.04983	0.8
84.08137	1.4
85.02926	0.3
86.06071	1.0
89.03922	0.4
91.05495	0.5
93.03415	0.7
93.07049	0.8
94.06580	2.0
95.04970	1.1
95.10841	0.3
95.26000	0.3
96.08132	3.5
100.07613	2.3
103.05492	0.6
107.04965	1.4
109.02844	0.4
109.06498	0.3
110.07130	0.2
110.09741	0.4
110.77074	0.3
111.00813	0.3
111.04443	2.3
112.07611	1.3
114.09176	28.2
115.05488	0.4
117.07019	0.5
119.04970	0.4
121.06511	0.8
123.04438	9.4
123.08032	0.3
127.03893	0.6
129.07014	0.6
131.04922	0.6
133.06508	0.7
134.09660	0.4
135.04425	5.5
136.07587	0.5
137.02356	1.5
137.05978	1.1
138.09142	0.8
139.03909	7.5
147.04440	1.4
149.06006	1.8
151.03911	6.3
153.05496	2.0
157.06447	0.5
159.04417	0.3
159.08109	0.5
161.05983	1.6
163.03914	10.1
163.07542	0.7
165.05544	1.4
165.06786	0.3
167.07059	0.7
169.92601	0.3
171.04482	0.3
173.06001	0.9
175.03905	0.4
175.07504	1.4
176.07158	0.4
176.10696	0.4
177.05499	2.8
179.03403	1.1
179.07054	2.0
180.10199	0.7
181.55707	0.3
185.06024	0.9
187.03899	0.6
187.07541	1.2
188.10745	0.3
189.05513	1.7
191.03374	0.7
191.06999	1.5
192.10287	0.3
193.04947	0.7
193.08603	0.7
197.06010	0.7
199.07524	0.3
201.05460	0.5
202.08618	0.4
203.03374	1.0
203.07051	3.3
203.09129	0.4
204.10242	0.8
205.08618	0.7
206.08147	0.5
209.05881	0.4
213.05396	0.5
215.07072	1.1
216.10207	1.5
217.04913	0.7
221.08099	1.0
222.11292	2.7
227.07018	0.7
229.04980	0.5
234.11252	4.6
237.05429	0.4
240.10213	0.3
240.12309	1.5
241.04964	0.7
243.06534	0.5
244.09726	0.5
246.11174	0.3
252.12296	2.5
253.08623	0.3
255.06551	1.1
259.06055	0.5
262.10886	0.4
264.12482	0.5
265.04922	0.7
265.08636	0.4
267.06369	0.4
269.04428	1.2
269.07709	0.3
271.06073	3.0
271.09024	0.4
272.12781	0.4
273.07495	2.4
279.10114	0.5
281.08060	0.5
283.06030	6.4
283.09274	0.3
284.06464	0.4
285.07516	2.7
292.11798	0.4
293.08041	0.4
295.06006	0.7
295.09399	0.5
297.07629	0.8
297.11267	0.5
299.05612	0.4
299.09262	0.5
301.07010	1.7
301.39426	0.3
303.08691	0.4
307.09644	1.3
309.07550	0.9
311.09207	1.9
320.12717	0.3
323.09109	0.6
325.10703	1.7
335.09204	1.1
336.12387	0.4
337.10904	0.5
338.13885	0.4
339.08710	0.6
348.12491	0.4
353.10132	1.5
354.13364	0.5
356.14948	0.6
360.14368	0.8
366.13416	1.7
370.12860	1.0
384.14459	5.5
402.15488	100.0
403.15933	2.9
522.17657	1.1
540.18518	0.5
685.37939	0.4
692.23279	8.6
693.23914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
52.38662	0.4
53.03936	1.0
55.01878	2.7
59.30549	0.4
65.03939	1.2
67.05488	1.8
68.99788	1.2
69.03421	0.7
71.08069	0.6
77.03935	1.0
79.05491	3.2
81.03429	0.9
85.02896	0.6
89.95402	0.4
91.05476	2.7
93.07077	0.5
95.04989	5.3
97.02883	0.8
99.04403	0.5
103.05466	0.8
105.03406	2.0
105.07042	5.4
107.04969	6.1
109.02908	2.7
111.04428	0.9
115.05433	2.9
119.04947	5.2
119.08559	0.6
121.02847	0.6
121.06532	0.4
123.04436	37.0
124.05275	0.7
124.36461	0.4
127.03868	1.1
128.06187	0.5
129.06999	0.9
131.04912	0.7
132.05692	0.6
133.06506	5.3
135.04413	3.1
137.02307	0.6
137.05978	0.6
139.03914	14.2
140.04689	0.6
141.07008	0.6
143.04915	1.6
143.05952	0.7
145.06537	0.7
147.03214	0.9
147.04416	18.8
147.08070	3.2
148.04745	0.5
149.05956	0.7
151.03912	100.0
152.04247	1.2
153.05489	2.5
155.07098	2.3
157.06450	0.6
161.05991	13.1
163.03911	4.7
165.05492	8.6
167.07050	29.4
169.04869	0.5
169.06450	0.6
173.06030	4.9
174.06653	0.5
175.03944	1.1
175.07556	5.6
177.05553	1.0
179.07004	1.3
181.04985	11.5
183.06512	3.3
183.08008	0.9
187.07552	0.8
189.05429	1.5
191.06996	1.1
192.07883	0.7
193.04953	4.4
193.08592	4.3
197.05954	1.0
201.05573	0.5
203.07060	1.3
207.06549	2.6
207.10141	3.9
211.07402	0.5
215.07077	1.5
217.08598	4.0
219.08037	1.1
221.06056	0.5
221.08104	1.0
235.07784	0.8
235.09669	20.1
239.07104	0.9
243.06454	1.1
247.07564	1.1
251.10457	0.5
263.07257	0.5
264.07721	0.9
267.06445	0.9
271.13870	0.4
279.10275	1.7
285.07547	3.2
292.07587	0.5
303.08649	69.7
304.09006	1.6
307.09573	1.4
311.12936	0.6
325.10748	0.6
339.12262	1.6
340.13104	0.7
371.14838	5.0
389.15967	69.9
390.16327	1.8
401.15561	0.8
438.98087	0.5
539.19305	0.7
654.29199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03936	1.9
55.01880	2.8
60.79068	0.5
62.09488	0.5
62.84198	0.5
63.64041	0.6
65.03945	1.0
67.05489	1.7
67.50406	0.6
68.99796	1.1
69.03435	1.0
69.64554	1.4
69.64968	1.8
70.06580	0.6
77.03922	0.9
79.05499	2.6
81.03399	2.0
81.07043	0.6
83.04975	0.6
85.02898	1.5
88.72217	0.5
91.05488	3.2
91.78822	0.5
93.03399	0.6
93.07032	0.8
95.04971	6.3
95.08607	0.6
103.05479	0.8
104.41396	0.5
105.03404	1.5
105.07039	5.9
107.04964	6.9
107.08575	0.8
109.02894	1.4
111.04452	1.3
115.05459	4.7
117.07018	1.1
118.04135	0.7
119.04948	5.5
119.08570	2.3
121.02863	0.9
121.06554	0.6
123.04437	42.8
124.05232	0.6
125.06007	0.9
127.03893	1.5
129.07036	1.6
131.04951	0.7
132.05702	1.0
133.06493	6.0
135.04428	4.8
137.02292	1.0
137.06012	1.5
137.44150	0.5
139.03908	15.4
140.04610	0.6
143.04935	1.9
145.06473	1.0
147.04413	22.3
147.06987	0.7
147.08060	3.7
149.05946	0.9
151.03911	100.0
152.04347	0.7
153.05486	3.0
155.07047	1.9
157.06502	0.7
157.82248	0.6
161.05986	12.1
163.03923	5.5
165.05489	9.3
165.06888	0.9
167.07047	31.2
171.04506	0.7
173.05995	5.0
174.06755	0.8
175.03937	1.7
175.07552	6.3
177.05510	1.3
179.03384	0.6
179.07040	1.9
181.04979	12.3
183.06548	2.9
187.07574	0.7
189.05522	1.7
189.08971	0.6
191.06985	1.3
192.07832	0.8
193.04961	5.3
193.08598	3.1
197.06013	1.1
199.07729	0.6
203.07095	1.5
207.06544	3.4
207.10117	3.9
211.07532	0.7
215.07016	1.3
217.08646	3.2
219.08011	1.4
221.06108	0.7
221.08122	1.3
235.09666	21.3
243.06358	1.1
247.07513	1.4
264.07874	1.0
279.10229	1.7
280.69980	0.5
285.07495	3.4
293.08035	0.8
296.10315	0.5
303.08640	78.4
304.08908	2.3
307.09637	1.9
315.77213	0.5
339.12289	2.5
371.15015	4.5
389.15961	76.1
390.16302	2.2
396.39157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
51.78317	0.4
52.94767	0.4
53.03931	0.5
56.05022	0.4
58.06586	0.4
67.05498	1.1
68.05012	1.0
68.99786	0.7
69.03443	0.4
69.53424	3.2
70.06596	27.9
74.06076	0.7
79.05492	1.7
80.04951	0.4
82.06570	1.4
83.04974	1.1
84.08137	1.2
85.02901	0.8
86.06058	1.0
86.09716	0.4
91.05480	0.7
93.03416	0.8
93.07045	1.1
94.06574	2.5
94.13441	0.4
95.04964	1.3
96.08124	4.7
97.02905	0.4
100.07625	1.5
105.03413	0.5
107.04953	2.4
108.08149	0.4
109.02880	0.5
110.03195	0.4
111.04455	3.0
112.07609	1.6
114.09174	30.8
121.06511	0.9
123.04430	10.2
125.06027	0.5
127.03925	0.5
128.93912	0.5
131.04926	0.8
133.06500	1.2
135.04443	6.2
135.08061	0.6
136.40686	0.4
137.02344	1.6
137.05978	1.3
138.09196	1.3
139.03908	9.7
147.04440	1.3
147.08028	0.7
149.05984	1.9
151.03922	8.4
151.05113	0.8
151.07567	0.6
153.05531	2.9
153.06674	0.4
161.05986	2.0
162.09094	0.8
163.03915	12.8
163.07590	0.8
165.05487	1.4
167.07074	1.5
173.05984	0.9
175.03949	0.5
175.07576	1.8
176.07216	0.5
177.05484	3.8
178.08636	0.6
179.03481	0.7
179.07021	2.9
180.10225	1.0
185.05934	1.0
187.03883	0.7
187.07552	1.1
189.05522	1.9
191.03371	0.6
191.07059	2.1
193.04866	1.0
193.08580	0.8
201.05531	0.8
203.03363	0.9
203.07053	2.9
204.10158	1.0
205.04974	0.5
205.08604	1.3
215.07022	1.1
216.10268	1.5
220.09686	0.6
221.08092	1.1
222.11282	3.0
227.07114	0.6
229.05063	0.6
234.11249	4.4
237.05486	0.7
240.12312	1.4
241.05046	1.0
243.06525	0.6
252.12358	2.7
257.04437	0.6
264.12329	1.1
267.06509	0.5
269.04553	0.9
269.07941	0.7
271.06024	2.7
273.07629	2.5
281.08191	0.6
283.06036	6.5
283.09521	0.7
285.07730	2.7
293.08102	1.0
294.02036	0.5
295.09482	0.6
297.07904	0.8
301.07193	2.0
307.09698	1.6
309.07651	1.0
311.09116	1.6
325.10730	1.5
335.09027	1.0
338.13998	0.6
348.12280	0.5
353.10291	2.1
354.13644	0.5
366.13388	1.7
370.12997	0.9
372.14581	0.7
384.14520	6.1
402.15488	100.0
403.15942	3.1
424.92328	0.5
522.17468	1.3
674.22278	0.6
692.23425	5.8
692.34076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14557	0.8
139.03903	0.6
177.05559	0.8
177.06989	3.1
179.08559	0.7
194.07268	2.2
205.06503	13.2
206.07202	1.0
207.08139	1.1
208.08769	0.6
218.07217	0.5
219.07903	0.7
222.06738	5.9
224.08279	0.9
233.05974	13.5
234.06653	1.2
235.07513	4.2
236.08319	0.5
237.09128	19.7
238.09572	0.8
239.90723	0.5
250.06187	2.4
251.07135	0.9
252.07841	1.6
263.06985	3.0
264.07883	2.5
265.08615	48.6
266.08966	1.6
267.10330	0.5
280.07309	2.0
281.08173	0.8
295.09671	100.0
296.09991	3.2
311.12775	1.2
312.12314	24.7
313.12869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01855	1.1
55.05265	1.0
55.05517	12.2
57.03440	11.5
57.07083	2.3
57.19394	0.8
58.31631	0.7
59.04997	3.5
61.02918	3.4
65.03949	2.8
67.05509	100.0
68.05831	1.0
69.03424	2.1
69.07074	8.0
71.05006	2.1
71.19300	1.0
71.19630	0.9
79.05058	1.4
79.05499	20.0
79.96071	0.7
81.07064	36.0
83.04992	1.1
83.08621	6.8
85.02912	4.2
85.06545	3.0
86.80234	0.8
91.03976	1.8
91.05489	12.5
93.07051	23.6
95.04982	2.8
95.08614	27.0
97.02892	2.1
97.06544	2.2
97.10172	2.3
99.04435	0.8
104.17859	0.8
105.07031	7.9
107.07951	1.4
107.08598	12.4
109.10165	70.9
110.10517	0.9
111.08086	2.2
113.56316	0.7
116.13451	0.7
117.07021	2.5
119.08588	10.4
121.10153	11.4
123.11714	3.5
131.08562	6.6
133.10132	5.1
135.08083	1.1
135.11708	6.7
137.09624	3.3
137.13239	2.3
145.10150	4.4
147.11688	3.8
149.09546	0.8
149.13242	3.8
155.10608	4.3
157.10168	0.8
159.11697	5.0
161.13306	3.5
163.14856	2.4
173.11772	21.3
173.13266	3.8
177.16389	1.1
187.14771	1.8
227.12820	2.4
229.14374	92.1
230.14749	1.9
242.76302	0.8
243.21133	4.9
261.22171	13.1
317.24774	2.8
335.25818	61.8
336.26144	1.7
397.30914	1.0
402.01935	0.9
471.34634	1.2
489.35791	32.9
490.35886	0.9
507.36752	2.3
554.68469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	1.4
55.05511	13.4
57.03438	11.7
57.07069	4.3
59.04997	4.4
59.18744	1.1
60.61344	1.1
61.02924	4.6
64.19102	1.1
65.03951	2.9
67.05508	100.0
69.03418	1.9
69.07076	17.5
71.04989	3.2
71.56790	1.0
73.02924	1.4
79.05498	12.5
81.07065	43.8
83.08627	14.6
85.02908	3.8
85.06541	3.0
89.06047	1.4
91.03950	1.7
91.05486	12.3
92.55909	1.0
93.07065	14.1
95.08618	31.3
97.02891	2.7
97.06541	2.8
97.10165	4.9
102.05688	1.0
105.07037	7.7
107.08592	10.2
109.10162	73.9
109.37291	1.1
111.08086	2.9
119.08579	10.7
121.10137	5.8
123.11710	5.1
125.09672	1.7
131.08583	2.1
133.10139	7.3
135.11687	4.3
137.09659	3.8
137.18008	1.2
143.08543	1.3
145.10144	1.4
145.87601	1.1
147.11757	2.1
149.13326	1.4
155.10619	5.7
159.11714	2.4
161.13284	3.0
166.70195	1.1
173.11754	18.8
173.13167	2.2
175.14832	2.2
195.79570	1.1
196.91234	1.3
208.93874	1.1
229.14359	91.1
230.14850	1.2
245.22688	1.4
263.23752	4.1
337.27380	79.9
338.27838	3.3
447.26245	1.1
474.76810	1.3
491.37347	83.6
492.38000	2.3
509.38263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27040	1.1
53.03943	1.5
55.05515	16.3
56.05622	1.2
57.03437	11.6
57.07079	3.6
59.05000	3.2
60.36313	1.2
61.02931	5.3
65.03952	2.7
67.05508	100.0
67.51002	1.2
69.03423	2.4
69.07067	18.1
70.16925	1.1
71.04991	5.0
71.08652	1.7
71.57584	1.8
74.84111	1.1
79.05493	13.3
79.68289	1.4
81.06574	2.5
81.07060	44.6
83.08613	12.9
85.02914	3.8
85.06551	2.9
88.94798	1.2
89.06019	1.6
91.05466	12.0
93.07047	15.6
95.04980	2.4
95.08611	32.8
97.02911	2.9
97.06541	2.8
97.10182	3.7
99.08070	1.8
105.07014	9.4
107.08606	9.9
109.10164	77.7
111.08083	4.7
117.07014	2.0
119.08591	12.2
121.10109	6.9
123.11709	5.2
129.07129	1.5
131.08607	3.0
133.10147	7.8
135.11705	4.1
137.09634	5.8
137.13287	2.3
145.10139	3.5
147.11694	5.0
149.09651	1.7
149.13303	3.0
155.10667	4.6
157.10210	1.2
159.11710	2.3
161.13295	4.9
162.11356	1.1
163.14777	1.5
168.43422	1.4
171.88593	1.1
173.11731	20.6
173.13167	2.2
174.87558	1.2
175.14828	3.0
177.16277	1.2
189.12711	1.5
189.16396	1.5
190.48196	1.4
201.16365	1.3
215.36189	1.5
217.12314	1.3
229.14360	99.2
245.22708	2.9
263.23706	5.4
314.14557	1.3
337.27371	79.6
491.37323	85.9
492.37552	2.3
495.36694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01866	1.0
55.05512	11.5
57.03440	12.8
57.07071	2.2
59.04995	3.2
61.02921	4.2
65.03926	3.0
67.05507	100.0
68.05843	0.8
69.03432	1.9
69.07076	8.8
69.95970	2.3
69.96365	1.8
71.04993	3.8
73.02904	0.8
77.03932	0.8
79.05071	1.2
79.05499	21.1
81.03418	1.9
81.07058	39.0
83.04961	1.8
83.08623	7.9
83.69072	0.7
85.02903	4.9
85.06548	3.2
87.38809	0.7
91.03964	0.9
91.05471	15.7
93.06471	1.5
93.07049	28.4
95.04961	3.3
95.08614	28.0
97.02888	3.5
97.06550	1.0
97.10170	2.2
99.04455	0.9
99.08112	0.9
105.07046	6.7
107.08599	16.5
109.10161	78.9
111.08083	2.5
117.07008	3.6
117.33874	0.7
119.08586	13.9
121.10146	12.2
123.11676	3.8
125.09603	1.0
127.03890	0.9
131.08574	6.9
133.10144	5.9
135.11714	8.5
137.09607	3.3
137.13232	1.5
145.10153	4.9
147.11710	5.0
149.13298	4.9
155.10655	4.9
159.11661	3.9
161.13272	4.1
163.14824	2.2
164.83560	0.9
173.11780	21.6
173.13266	3.7
187.14873	1.9
199.14793	0.9
200.99611	0.8
201.16464	1.0
209.15442	0.7
210.74916	0.8
219.17436	0.9
227.12917	4.6
229.14357	80.1
230.14594	1.1
241.99704	0.8
243.21051	4.5
261.22125	17.3
287.05603	1.8
288.83517	0.9
317.24649	4.4
335.25818	72.4
336.26089	1.5
371.27966	0.7
379.30051	1.3
397.30988	1.3
415.31915	1.6
485.85837	0.9
489.35745	55.1
490.35910	2.4
503.03357	0.9
507.36902	2.2
560.75232	0.9
594.84399	0.8
686.36292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05520	5.3
57.03437	2.8
57.07081	32.6
61.02934	11.7
63.70259	0.6
67.05506	11.5
67.68871	0.5
69.03423	1.5
69.07067	6.5
71.08636	28.2
71.56277	0.9
73.02924	4.6
75.04484	1.5
79.05476	1.3
80.72288	0.6
81.07059	15.1
83.08623	9.6
85.02427	1.1
85.02907	15.1
85.10185	17.9
89.06023	1.0
91.03960	11.7
93.07040	1.8
95.08614	22.5
97.02895	5.2
97.10182	7.5
99.04450	0.9
99.08037	0.6
99.11736	1.1
103.07568	0.6
105.07021	1.1
107.08599	0.8
109.10159	10.2
111.11709	2.7
119.08595	1.4
121.10151	0.9
123.11703	6.1
127.03940	6.1
129.60283	0.6
131.08517	0.9
133.10205	0.8
137.13252	2.4
145.04965	8.3
147.11707	1.0
151.14841	0.7
159.11726	0.9
161.13319	0.8
163.06026	9.1
201.16417	0.6
231.02396	0.7
235.24182	0.9
253.25290	20.2
271.26273	3.9
272.43640	0.6
279.56134	0.8
327.28943	100.0
328.29260	2.2
345.29987	29.3
346.30273	0.8
686.39032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80645	0.5
53.03935	1.0
62.55016	0.5
71.16140	1.0
77.62106	0.5
91.05482	6.8
93.07053	9.5
95.04973	3.6
103.04910	0.6
103.05465	7.7
105.04543	0.7
115.05434	3.0
117.07020	0.9
118.04028	0.7
119.04909	0.8
120.05685	1.2
121.06512	62.5
122.06701	0.7
123.04416	0.9
131.04935	0.6
132.05713	2.7
133.84062	0.5
143.04916	1.6
144.05687	1.8
155.07007	2.3
160.05173	4.2
161.05936	0.8
163.03903	0.8
164.07034	2.4
165.06906	1.2
167.06987	1.6
170.03574	1.0
171.04375	1.6
175.03888	0.8
175.07663	1.1
178.07793	0.9
179.08551	2.4
181.04933	0.9
181.06506	1.9
181.10092	1.2
188.04626	2.4
189.06963	3.4
190.06104	0.7
190.07741	1.8
191.08569	3.5
192.04210	0.8
193.06476	1.1
194.07281	4.5
195.07996	1.0
198.03064	2.8
203.07047	1.1
204.05614	0.7
205.06468	6.0
206.07281	4.8
207.08087	8.7
208.08482	0.6
209.06023	0.7
209.09576	2.2
216.04266	3.1
217.06464	1.7
218.07227	1.7
219.08060	6.1
220.05292	6.1
221.05980	4.1
221.07945	1.0
222.06776	5.3
223.07526	0.9
229.07744	0.9
230.08160	0.8
231.06529	72.1
232.05002	1.2
232.06879	1.5
233.05981	12.3
234.06747	16.9
235.07533	14.5
236.08185	1.2
237.05377	1.7
237.09105	10.3
239.06961	1.1
241.03549	1.0
241.08470	0.7
245.05937	3.5
247.03824	0.9
247.07550	2.3
248.04686	9.1
248.07191	0.8
248.08379	0.7
249.05518	4.2
250.06264	9.4
251.06915	2.2
253.08572	0.8
254.09393	2.1
260.04715	6.5
261.05444	6.4
262.06259	29.5
263.07037	54.2
264.04572	0.9
264.07596	2.9
265.05045	4.1
265.08578	17.8
266.09003	0.8
267.06525	2.1
267.10187	1.2
269.08112	0.8
274.07074	3.5
275.03284	0.6
276.04132	2.1
277.04868	1.4
277.08563	0.7
278.05649	1.7
279.06531	5.0
280.07291	2.5
281.08115	3.6
282.08807	5.0
283.09482	0.7
284.06717	1.2
288.04010	1.0
289.04892	1.1
290.05725	14.9
291.06558	8.1
292.03708	0.9
292.07153	1.7
293.04437	4.0
293.08047	7.4
294.05478	1.2
294.08826	3.4
295.05963	1.9
295.09628	3.4
297.07712	1.9
297.11148	10.8
298.11679	0.8
299.09171	2.0
302.13748	0.7
305.04550	0.6
305.08160	1.7
306.05295	0.9
307.06036	5.9
308.06763	14.5
309.07425	2.4
310.08395	1.2
311.09201	1.9
313.06900	0.9
318.05188	3.6
319.06033	1.2
321.07602	1.8
322.04675	2.4
322.08438	1.9
323.09128	18.1
324.09598	1.0
325.07068	1.8
325.10669	9.3
327.08627	9.3
334.08493	0.7
335.05359	0.8
336.06219	3.7
337.06979	4.8
340.09384	1.5
342.10989	13.3
345.09952	0.9
350.07834	0.9
351.08643	99.6
352.08978	3.9
353.06781	1.0
355.11789	2.8
357.13342	15.0
368.08920	2.1
368.14902	1.8
382.19690	0.7
383.11255	100.0
384.11609	2.5
387.10596	0.8
394.12875	29.3
395.13263	0.7
411.10773	3.5
429.11734	2.0
520.19702	46.7
521.19983	1.5
548.19177	74.3
549.19409	3.2
615.54004	0.6
685.27551	6.6
695.50281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05510	22.8
57.03427	9.7
57.07067	10.0
61.02923	18.2
65.03954	3.2
67.05507	82.6
69.07079	33.8
70.32706	7.3
70.33105	4.1
70.86405	2.7
71.04967	3.2
71.08625	9.4
73.02902	7.4
79.05497	29.2
81.07059	100.0
83.04988	3.6
83.08611	22.5
85.02906	19.4
85.06543	4.3
91.03967	15.8
91.05495	21.7
93.07055	30.2
95.04945	3.6
95.08611	85.8
97.02888	10.9
97.06523	9.0
97.09570	2.6
97.10153	15.2
99.04422	3.3
99.08098	4.3
105.07031	17.4
107.08605	24.8
109.10160	44.4
111.08076	4.3
111.11740	2.9
113.09621	3.9
117.07065	3.4
119.08591	22.1
121.06539	2.7
121.10141	25.5
123.08101	3.0
123.11723	23.3
125.09628	2.9
127.03931	8.3
131.08569	5.4
133.10129	19.0
135.11703	15.6
137.09581	2.6
137.13252	9.9
141.12759	5.8
143.08588	4.2
145.04993	7.2
147.11729	13.8
149.13295	14.3
151.14807	8.1
155.14293	6.3
157.10175	2.8
157.35965	2.3
159.11700	5.3
161.13289	15.5
163.06026	12.1
163.14835	10.3
165.16370	10.5
175.14769	11.2
179.17996	9.8
189.16362	5.2
193.15825	2.8
203.17990	3.1
203.96078	2.1
245.22676	68.4
263.23715	99.9
264.24063	2.8
265.25198	3.0
289.07919	2.4
337.27380	75.2
355.28387	6.4
431.09320	2.4
499.32593	6.2
524.89362	2.5
654.54297	2.5
679.40143	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	683.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.4
69.03441	0.4
69.63503	0.3
71.56371	0.5
81.07060	0.6
85.02892	0.5
91.05476	1.3
93.07067	0.6
95.04966	0.4
95.08614	0.6
97.02919	0.5
97.06557	0.5
105.07036	0.6
107.08539	0.6
109.10214	0.4
110.07266	0.4
119.04954	2.1
119.08570	0.5
121.06533	0.9
123.04445	0.4
133.10071	0.4
137.05981	0.6
139.03877	0.7
147.04411	1.5
151.07570	0.8
153.05489	0.4
175.03946	2.7
176.06186	0.7
177.05550	0.7
177.06944	2.6
178.67540	0.4
179.08566	1.3
179.88126	0.4
181.06537	0.4
189.07007	1.1
205.06505	16.8
207.06503	5.2
207.08171	0.8
211.22252	0.4
217.06613	0.7
223.07539	0.4
233.05991	12.5
235.07553	30.0
249.05579	0.5
251.06981	0.9
263.07053	52.2
264.07452	0.9
287.07040	1.5
287.09979	0.4
293.08084	100.0
294.08432	2.3
310.10745	25.9
311.11203	0.9
317.08032	1.7
374.15970	1.4
439.11685	0.7
471.14331	0.9
574.18445	0.4
683.24994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.281
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92091	2.7
69.03416	3.7
69.37615	2.8
70.67056	5.3
70.67387	6.3
79.03165	2.8
85.02905	7.6
91.05485	7.5
97.02892	3.3
111.04430	4.5
119.04948	6.7
119.60090	2.7
123.04440	59.2
123.11724	6.8
127.03908	3.6
135.04402	2.7
139.03917	100.0
147.04401	16.0
151.03911	5.2
161.05963	11.6
163.03934	4.3
165.05496	12.6
167.07063	5.0
169.04910	3.7
179.07103	4.4
189.12708	4.7
207.06496	8.0
207.13844	7.6
219.84520	2.9
261.68134	2.9
291.08664	44.7
637.42230	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
55.01878	2.1
55.05510	16.9
57.03432	6.9
57.07071	3.8
61.02934	19.8
65.03948	2.3
67.05509	77.6
69.03426	3.5
69.07072	14.4
70.91099	4.7
71.04984	3.3
71.41293	1.5
73.02918	7.9
77.03937	2.5
79.05498	51.6
81.03415	2.5
81.07061	91.5
83.04961	1.6
83.08611	11.8
85.02913	21.3
85.06539	4.0
91.03954	17.4
91.05482	25.5
93.06469	3.9
93.07050	60.5
93.64767	1.6
95.05000	3.5
95.08614	69.5
97.02875	11.5
97.06535	4.2
97.10159	4.1
99.04456	1.7
99.08104	4.0
105.07028	20.4
107.08601	41.4
107.09302	3.4
109.06500	2.4
109.10166	34.6
117.07043	9.4
119.08593	21.3
121.10152	36.6
123.11718	18.3
125.09630	3.0
127.03912	6.3
131.08582	19.5
133.10159	13.3
133.11034	2.5
135.11703	29.8
137.09615	2.3
137.13266	7.4
145.04982	7.8
145.10141	14.0
147.11700	11.7
149.13264	23.3
150.68097	1.7
151.11221	2.2
151.14798	2.0
153.12692	2.0
156.14748	1.9
157.10165	2.3
158.54849	1.9
159.11697	17.9
161.13278	14.3
163.06062	10.2
163.14825	16.9
165.12714	2.9
171.11583	2.0
173.13313	15.0
175.14830	7.1
177.16396	7.4
179.14378	2.7
187.14830	9.9
189.16458	1.8
191.14333	2.2
201.16467	4.5
205.15866	2.4
215.17787	2.6
219.17656	2.1
233.22595	3.8
243.21106	32.9
243.23383	3.1
244.21555	1.9
261.22156	100.0
262.22250	2.0
279.23254	5.9
335.25842	37.7
353.26859	29.6
434.00659	1.9
479.29977	2.1
497.30969	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	674.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
51.40027	0.2
53.03951	0.2
54.03463	1.1
55.04252	0.4
65.03938	0.3
67.05497	0.3
68.99799	0.9
69.03456	0.3
70.06596	100.0
70.36954	0.5
70.37309	0.7
71.06918	0.5
78.17378	0.3
79.05496	0.5
81.03440	0.6
81.07076	0.4
85.02907	0.3
89.03930	0.6
91.05495	0.8
92.64365	0.3
93.03391	0.4
95.04971	0.8
95.72430	0.3
103.05503	0.7
103.36725	0.3
107.04968	1.1
109.06520	0.5
111.04473	0.5
117.03413	0.3
119.04969	1.3
123.04430	8.5
131.04959	0.9
135.04424	22.8
136.04764	0.3
137.02429	0.3
137.05989	5.8
139.03909	6.3
147.04402	1.7
149.06030	0.5
151.03918	1.8
153.05510	1.2
153.06712	0.2
159.04456	1.1
161.06010	1.2
163.03915	27.7
164.04541	0.7
165.05489	17.1
167.03487	0.4
168.24699	0.3
169.06516	0.5
173.06055	1.1
175.03952	0.8
177.05489	1.8
179.03471	0.4
185.05908	0.4
187.03922	3.3
189.05550	0.8
191.03397	0.3
191.08626	0.5
201.05554	1.0
203.03513	0.7
203.07013	0.5
205.04991	2.0
207.08122	0.4
209.09531	0.5
210.62288	0.3
211.07631	0.8
213.05472	0.5
215.07048	1.0
217.04944	0.6
221.06087	0.2
222.06810	0.4
223.07568	0.4
225.05559	0.4
227.07024	0.5
229.04967	2.5
233.06148	0.4
235.07603	0.6
237.09177	0.7
239.07098	0.9
241.05013	0.8
243.06572	0.9
251.07088	0.4
253.05086	0.5
253.08504	0.4
255.06628	0.8
259.06128	1.3
265.08640	1.9
267.06573	1.3
269.08234	0.7
271.06003	5.0
273.07773	0.5
279.06384	0.3
281.08093	0.4
282.08777	0.4
283.06015	2.1
284.06494	0.3
285.07584	8.8
285.10614	0.5
289.07263	0.7
291.08920	0.4
295.06030	2.5
297.07623	1.7
297.11285	2.0
299.09238	0.3
301.07126	2.8
307.06271	0.3
309.07642	1.6
313.07056	4.1
314.13885	2.2
315.08685	1.1
325.07034	3.2
327.08627	4.1
337.07266	0.4
338.10321	0.4
343.37189	0.3
384.14343	2.2
411.10822	1.2
435.10803	1.0
447.10852	3.0
453.11664	1.3
465.11884	4.6
504.16663	0.4
605.16113	1.2
617.16589	5.7
618.17188	0.4
662.28387	0.3
674.22308	23.5
675.22559	1.3
690.73901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38381	0.4
56.96557	0.4
57.03455	0.4
61.02931	0.5
63.92599	0.4
69.03430	0.9
69.72429	1.3
69.72832	0.8
70.06606	3.3
73.02925	0.8
74.27610	0.4
78.29802	0.4
80.99584	0.3
85.02907	1.1
90.31110	0.4
97.02869	0.6
98.97595	1.4
116.98593	0.8
119.03591	0.4
123.04408	0.5
135.04445	1.0
136.06195	100.0
137.04576	0.7
137.05841	0.4
139.03914	2.8
163.03947	1.1
165.05600	0.5
167.07034	0.6
177.05597	0.5
181.04933	0.5
205.21591	0.4
237.02946	0.6
268.10428	28.1
282.31680	0.5
348.75757	0.5
470.05670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83728	1.3
58.72564	1.1
66.30697	1.0
70.06593	2.1
71.55050	0.9
71.55477	1.7
73.48798	1.1
77.75166	1.1
79.05495	2.4
81.03430	1.3
81.07080	1.6
85.02930	1.9
91.05494	3.9
93.92184	1.1
95.04955	1.1
105.07028	2.8
107.04945	1.5
109.10221	1.2
115.05457	6.2
119.04935	1.6
121.06514	71.3
122.06834	2.3
135.08113	5.9
136.00479	1.1
137.06009	9.7
139.03937	1.3
143.04926	13.5
144.05736	1.4
147.04536	1.8
159.08049	4.5
163.06114	1.2
164.07008	1.2
167.07022	1.3
175.07559	9.7
177.05597	2.5
178.08676	8.3
191.08554	1.6
192.10217	3.4
194.08385	1.2
207.06544	2.1
208.08885	2.2
223.11165	3.5
224.07906	1.6
227.80359	1.3
251.07039	2.0
251.10725	5.6
252.07410	2.4
278.24994	1.2
281.08142	2.8
282.08270	2.9
283.08734	2.1
283.13324	17.4
300.15973	100.0
301.16174	2.5
306.26230	1.2
349.45578	1.2
550.79388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14644	0.8
53.03952	2.2
53.11956	0.9
65.42601	1.0
71.11002	1.4
85.81536	0.7
91.05499	6.3
93.07052	7.7
95.04974	1.9
103.05489	5.2
105.07033	1.2
107.08594	1.1
109.02885	0.8
115.05490	1.7
119.04922	1.0
119.36294	0.8
121.06517	46.5
121.10146	0.9
124.57632	0.9
132.05728	2.4
137.05998	3.7
138.09131	1.4
141.05490	0.9
143.04973	1.1
144.04036	0.8
146.03622	0.9
147.04446	1.1
151.07529	1.0
159.46852	0.9
160.05193	2.7
163.07553	1.1
164.07091	1.7
165.09113	2.0
173.67345	1.0
175.03830	1.1
175.07530	1.2
177.05479	1.2
181.05019	0.9
188.04713	2.8
195.08043	1.4
198.03192	1.8
205.06531	2.9
207.08232	1.1
216.04185	1.5
217.05022	8.9
219.08107	1.9
220.05231	2.5
221.06015	2.2
222.06743	2.2
223.07541	8.6
231.06548	49.4
233.06017	2.8
234.06656	2.0
235.07588	3.6
236.04625	1.5
237.09074	2.1
238.06337	2.3
240.07834	2.6
241.08643	1.7
248.04715	32.1
249.05452	5.1
250.06261	3.4
251.07028	12.2
252.07492	1.1
260.04919	1.0
261.05423	1.0
262.06281	1.9
263.07047	8.6
264.04260	2.2
265.05002	2.9
265.08600	2.8
266.05667	4.4
267.06516	1.3
268.07382	3.5
269.08081	2.9
274.07141	2.8
276.04214	24.5
277.04855	2.9
279.06485	11.8
280.07120	1.9
281.08127	2.9
283.09674	11.1
285.07498	1.0
290.05789	1.4
291.06558	3.4
293.04611	2.0
293.08124	2.6
294.05313	9.5
295.06030	2.5
295.09473	0.8
296.06830	1.9
297.11313	1.0
304.03622	1.2
308.06693	1.9
309.07593	100.0
310.07965	2.7
311.05756	1.5
311.09158	7.3
313.07056	4.2
321.07898	1.0
322.04718	2.8
323.05624	1.7
323.09180	2.0
325.11038	1.1
328.09393	6.3
336.06320	1.4
337.07089	44.7
338.07520	2.4
341.10181	1.1
343.11722	10.3
351.08630	5.0
353.10187	1.0
354.07266	2.0
355.08078	1.0
369.09717	91.1
370.10242	1.1
380.11313	3.5
394.12921	14.9
397.09464	1.3
408.47919	0.9
415.10388	2.5
506.18149	35.5
506.25732	1.7
507.17950	1.3
534.17627	65.4
535.17725	1.8
671.25836	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	666.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63958	0.7
51.72466	0.8
53.03941	1.1
59.41103	0.9
65.03952	1.0
66.69534	0.8
70.06570	1.1
71.56641	1.0
78.04697	1.9
79.05494	3.6
81.07070	2.0
83.04975	1.4
91.05479	4.7
93.07024	1.0
95.04967	2.4
95.08579	1.0
103.05499	1.9
105.07037	4.1
106.04156	1.6
107.04962	10.0
109.02891	0.9
109.06537	1.2
115.05415	1.9
117.07032	2.8
119.04929	1.4
121.06488	3.4
121.95058	0.8
123.04473	4.9
124.05219	1.6
125.05955	1.5
129.06978	1.8
131.04939	3.3
131.08583	1.9
133.06487	3.1
133.10194	1.9
136.05240	0.9
137.05989	2.3
139.03937	1.7
144.05647	1.2
145.06549	4.8
145.07573	0.9
148.05121	1.0
149.05956	1.6
151.03824	1.1
151.07545	2.4
152.04639	1.4
159.08054	3.8
160.05208	1.1
161.05989	5.0
161.09679	1.4
163.03905	2.9
163.07524	1.1
167.07051	100.0
173.05998	3.0
173.09483	1.1
175.07600	1.4
177.05466	1.3
178.06274	2.3
178.08659	1.1
179.07037	2.0
179.08572	1.0
181.06970	1.3
181.08583	8.3
187.07518	3.6
189.09138	1.2
191.07025	4.0
193.08632	10.7
196.22269	0.9
199.07410	1.1
202.06299	1.0
205.06737	1.5
205.08588	3.9
206.07394	0.9
209.08046	1.7
217.08626	3.4
219.10155	3.1
221.09601	2.2
223.09618	9.0
228.07878	1.0
231.10175	2.8
232.08733	1.4
233.09599	2.4
235.07527	3.3
246.06902	1.1
249.08951	2.1
249.11270	12.1
253.08464	0.9
257.62286	0.9
261.09164	2.6
263.07031	3.5
265.08658	2.1
269.11813	1.2
277.08545	2.0
278.09241	1.9
279.10080	1.2
281.11722	2.0
293.08078	4.4
293.11737	2.5
296.09372	1.5
299.12485	1.0
301.21570	1.1
307.09509	1.1
311.12680	1.3
321.11139	2.3
324.12396	2.6
325.14447	1.4
339.12259	3.8
341.13837	1.8
343.15225	5.0
353.13821	3.8
359.14838	0.9
361.16476	24.2
371.14871	11.3
371.18961	1.9
385.16379	8.0
389.15756	14.7
389.19891	1.5
421.18594	1.1
541.47601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
54.42398	1.0
55.01883	1.7
55.05511	13.6
57.07069	2.3
63.55031	1.0
65.03946	2.9
66.98550	0.8
67.05170	1.7
67.05508	24.8
69.03432	6.9
69.07069	13.2
69.77706	4.5
69.78120	1.8
71.04996	4.8
77.98302	0.9
79.05498	20.1
81.03435	5.3
81.07062	30.3
83.04990	11.9
83.08608	4.4
85.02900	3.7
91.05490	18.0
93.07048	27.5
95.04974	3.7
95.08612	55.0
97.02877	2.8
97.06534	3.1
97.10172	1.8
99.04476	2.2
99.08090	3.1
104.06245	1.2
105.07037	38.9
107.08598	28.6
109.02854	1.7
109.06522	3.4
109.10159	21.2
111.04435	1.7
111.08083	1.5
113.09639	3.9
117.07034	5.8
117.07736	0.9
119.08589	61.3
121.06467	1.1
121.10152	15.8
123.08081	3.3
123.11729	7.5
125.09623	1.1
125.60381	1.1
126.58890	1.0
127.03922	1.6
129.06982	3.4
131.04887	1.2
131.08569	7.6
133.10138	64.0
135.08055	1.5
135.11702	34.6
137.09622	44.3
139.11200	1.1
143.08568	3.2
145.10110	6.3
147.11693	8.0
149.13278	4.0
155.10692	3.5
157.10141	3.0
159.11711	4.1
161.13310	2.1
169.10129	1.3
171.11690	2.4
173.13324	3.8
175.14836	100.0
176.15149	1.6
185.13226	2.0
187.14780	1.9
193.15894	61.3
209.13161	1.0
211.16962	4.1
261.22156	2.1
289.21643	1.3
291.23425	1.1
301.21527	1.7
303.23135	3.3
319.22726	1.6
327.23245	1.8
369.24228	4.1
387.25293	6.3
405.26547	5.7
423.27533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
68.70593	0.6
69.07087	0.6
71.22617	0.9
79.05479	0.8
81.03413	0.7
81.07044	1.2
91.05056	0.6
91.05494	6.2
93.06538	1.0
93.07048	9.3
95.04973	1.5
101.05211	0.8
103.05479	5.7
107.08610	0.9
115.05457	2.0
117.07019	0.7
119.04928	1.1
120.05746	0.7
121.06512	47.5
122.06759	0.7
131.04822	0.7
132.05725	2.3
136.72034	0.6
137.05983	2.8
138.09140	1.0
139.03847	0.7
145.06456	0.9
145.10199	0.7
147.04346	1.1
151.07500	0.9
160.05200	4.5
161.09634	0.7
163.03943	0.9
164.07086	2.3
165.07088	0.7
165.09125	2.7
175.07622	1.1
179.08640	0.7
181.06479	1.1
188.04684	1.0
189.07043	1.1
192.04164	1.0
195.08061	1.9
197.77686	0.6
198.03081	2.0
205.06523	2.2
207.06387	0.9
207.08080	1.4
208.05255	1.2
216.04073	2.2
217.04868	2.1
219.07977	0.9
220.05252	2.1
221.06088	3.3
222.06752	2.1
223.07526	8.6
225.05429	1.0
231.06531	56.0
233.05939	4.4
234.06804	2.4
235.07515	1.6
236.04688	2.3
237.05489	1.2
237.09081	1.7
238.06189	1.4
240.07829	2.3
241.08714	1.9
248.04694	34.6
249.05475	5.6
250.06340	3.8
251.07077	14.7
252.07919	0.8
253.08673	1.5
255.10139	1.3
260.04678	1.1
261.05420	0.9
262.06339	3.4
263.07068	4.6
264.04105	1.3
264.07510	0.7
265.04962	3.1
265.08563	3.1
266.05753	4.4
267.06622	1.6
268.07327	4.2
269.07950	3.2
274.07077	2.3
276.04199	29.0
277.04962	2.5
279.06543	13.5
280.07098	1.8
281.08075	2.7
283.06390	1.1
283.09674	11.5
285.07590	0.9
290.05701	2.8
291.06433	1.4
293.04404	1.9
293.08081	1.8
294.05225	11.6
294.08334	1.3
295.06094	1.7
295.09427	0.7
296.06772	1.6
304.03662	1.5
308.06857	2.1
309.07568	100.0
310.07947	2.6
311.05695	0.9
311.09091	7.7
313.07077	3.6
321.07639	1.9
322.04749	2.5
323.05585	1.4
323.09106	1.6
327.08331	1.0
328.09433	4.6
336.06210	1.0
336.45941	0.9
337.07059	44.1
338.07507	2.2
341.10126	1.8
343.11697	11.1
351.08728	6.1
353.10361	1.1
354.07297	1.9
355.08197	0.8
359.11041	1.0
369.09698	86.8
370.09909	1.8
380.11310	0.9
394.12915	15.2
397.09152	1.1
415.10135	2.4
506.18170	32.8
507.18695	1.1
518.18390	1.0
534.17627	64.4
535.17938	2.9
660.15057	0.8
671.26050	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	664.463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35353	1.1
54.41363	0.9
55.05516	5.0
57.03443	12.1
57.07081	27.2
59.04990	4.3
61.02921	4.9
65.03923	1.4
67.05509	67.8
69.03419	1.7
69.07063	5.1
70.92060	3.1
71.05002	2.4
71.08639	19.0
79.05507	2.5
81.07059	21.7
83.08628	9.6
84.08500	1.0
85.02921	5.2
85.06536	2.7
85.10197	9.9
87.04488	1.8
89.06042	1.3
91.03973	2.3
91.05493	6.8
93.07060	3.3
95.04985	1.2
95.08610	18.7
97.02914	2.0
97.10172	3.6
105.07046	3.4
107.08598	2.8
109.10162	66.1
111.08082	2.8
117.06996	1.3
119.08593	7.1
122.56589	1.0
123.11732	2.7
131.08516	1.2
137.09637	2.2
137.13254	1.8
143.85049	1.1
145.10136	1.1
155.10681	4.6
157.10202	1.2
159.11581	1.3
161.13268	1.6
167.84142	1.0
173.11755	19.4
183.11705	1.4
213.77020	1.2
229.14369	100.0
230.14726	1.8
239.23651	1.9
304.64584	1.3
313.27380	83.5
314.27689	1.9
467.37357	64.9
468.37683	1.4
494.36447	1.3
552.97992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
57.07071	1.2
62.10919	0.8
67.05508	7.0
68.00311	0.8
69.03423	3.9
69.07056	2.9
69.37186	5.2
69.37612	1.8
71.04993	1.7
79.05497	6.8
81.03426	3.2
81.06638	1.3
81.07060	13.6
83.05008	1.4
83.08612	1.2
85.02907	27.5
87.04477	1.6
91.05483	9.3
93.07048	8.1
95.04982	2.3
95.08595	7.1
97.02869	1.6
97.06527	1.4
105.07028	17.5
105.07685	1.5
107.04932	1.0
107.08601	5.7
109.02887	0.9
109.06520	3.7
109.10166	5.8
111.04427	1.0
117.07013	4.7
119.08588	22.7
121.06477	0.9
121.10183	4.4
123.08095	1.6
123.11715	27.5
125.05989	1.6
125.09673	1.5
128.06175	1.7
129.06990	1.9
130.07776	2.0
131.08565	6.2
133.06505	6.0
133.10146	4.7
135.08028	1.2
135.11667	2.2
141.06966	1.5
142.07816	0.9
143.08534	3.7
143.74568	0.8
145.09038	1.7
145.10123	21.7
147.08049	3.2
147.10497	1.7
147.11696	32.9
149.09613	3.6
151.07555	1.8
155.08542	1.7
156.09354	6.0
157.10086	3.0
159.08017	1.7
159.11723	4.6
161.13275	3.7
171.11714	6.9
174.10329	2.5
175.11090	1.1
183.11635	1.3
184.07349	2.7
187.14891	1.1
189.12752	100.0
190.13057	1.4
197.13289	0.9
207.13812	24.8
225.14836	5.0
248.64667	0.8
369.24261	2.0
387.24857	0.9
394.75684	0.9
594.15411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01868	3.9
55.05518	18.1
57.03440	22.7
57.07071	9.1
59.05001	1.4
61.02933	68.0
67.05515	22.6
69.03436	24.9
69.07080	23.5
70.44862	4.4
71.01357	2.7
71.04987	4.8
71.08624	4.8
73.02921	21.6
79.05492	10.8
81.03424	21.0
81.07062	24.2
83.01300	2.0
83.04979	4.0
83.08618	17.8
85.02911	83.6
85.10140	2.6
87.04462	3.0
91.03410	2.5
91.03961	47.1
91.05480	4.2
93.07049	15.2
95.04940	2.1
95.08614	25.7
97.02900	69.5
97.06509	3.5
97.10182	9.2
99.04472	11.7
101.02402	8.1
103.03972	7.9
105.07011	1.9
107.08617	7.9
109.02885	14.8
109.10178	10.3
111.04439	3.8
111.08093	2.8
111.11697	4.4
115.03946	6.2
117.05525	2.1
119.08591	3.8
121.10155	11.6
123.11714	5.7
127.03928	33.0
127.11159	1.4
129.05472	5.0
133.10147	2.1
135.11694	10.9
137.13258	1.6
139.11189	2.0
145.04965	19.6
145.10101	2.2
149.13255	5.3
153.08952	1.4
157.10118	2.5
159.06525	2.6
159.11647	2.1
163.06044	4.8
163.14793	2.5
171.06497	1.9
173.09680	1.5
183.06520	11.8
184.05049	1.3
201.07582	8.4
219.08353	1.4
228.24141	1.2
247.24210	8.9
265.25275	21.7
339.28967	100.0
349.27448	1.9
355.26318	2.5
367.28485	5.1
373.27469	3.4
381.30045	3.0
391.28644	1.8
399.46664	1.6
409.29459	1.7
423.30991	1.9
447.30963	7.1
465.31995	4.1
483.33304	12.7
501.34323	2.4
663.38849	3.2
666.17834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13896	3.7
50.93055	3.8
53.03943	7.9
55.01871	6.8
55.05523	34.9
57.03433	16.0
57.07072	16.4
63.66880	3.5
65.03952	6.8
67.05167	7.3
67.05507	100.0
69.03439	4.4
69.07072	45.1
71.04974	4.6
71.45770	8.2
71.65293	4.1
74.04625	3.6
79.05495	84.0
79.05962	5.0
81.07059	99.3
83.04993	6.1
83.08627	22.0
85.06553	8.4
87.04475	56.5
91.05487	72.0
93.07046	88.2
95.04972	17.1
95.08611	68.4
97.06540	12.9
97.10175	17.5
97.75806	3.6
99.08102	9.1
103.05482	5.0
105.07030	64.5
107.04996	6.8
107.08603	54.1
109.06545	7.7
109.10172	31.1
117.07027	30.2
119.08581	43.6
121.06571	5.4
121.10131	33.0
123.08133	10.1
123.11744	8.5
125.09637	10.9
128.06244	5.4
129.07002	17.2
131.08586	34.0
133.10147	34.8
135.11676	17.7
137.09534	3.9
139.11201	4.5
142.07813	5.7
143.08572	12.4
145.10127	35.2
147.11673	24.7
149.09624	8.7
149.13324	11.9
155.08618	6.5
157.10168	13.5
159.11711	30.4
161.13219	17.7
163.11179	7.3
169.10078	8.5
171.11745	7.4
173.13312	15.8
175.14857	7.8
177.12796	6.3
183.11719	6.4
185.13258	13.3
187.14815	7.0
189.11295	5.2
197.13293	5.5
199.14778	5.0
203.14323	10.7
203.18137	3.9
206.72551	3.9
219.17555	9.3
227.12796	22.9
237.16679	3.8
239.18065	9.5
257.19098	27.0
261.22049	8.2
275.20084	45.2
331.22626	5.8
335.25803	91.7
349.23795	30.6
368.89615	4.1
405.02673	4.0
435.95612	4.2
460.31094	4.2
505.34799	4.7
513.39240	4.6
515.37347	6.6
529.38708	4.8
609.45123	33.3
654.72046	4.1
662.44226	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	663.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64133	1.4
53.03948	3.5
55.01874	2.2
55.05511	10.7
65.03959	1.8
67.05515	21.2
67.68825	1.6
69.03443	6.8
69.07070	9.4
71.04998	5.4
71.57734	2.7
78.28349	1.5
79.05516	5.8
81.03435	2.6
81.07057	21.2
83.04990	17.1
83.08605	2.0
85.02894	7.0
91.05487	8.5
93.07053	17.1
95.04993	4.9
95.08616	59.5
97.02952	2.2
99.04473	2.1
99.08125	3.1
105.07037	24.9
107.04957	2.4
107.08607	18.7
109.06527	3.6
109.10173	21.0
109.73252	1.5
111.04497	2.0
111.08095	2.9
113.09661	3.6
119.04961	4.1
119.08595	40.1
121.10141	9.1
123.04436	56.4
123.08063	3.8
123.11719	10.5
125.09597	2.0
127.03918	2.0
133.10146	49.0
135.04440	2.4
135.11702	17.4
137.09628	100.0
138.10194	1.6
139.03915	90.5
143.04852	1.6
145.10138	2.0
147.04416	17.6
147.11754	4.6
149.06018	3.6
149.13278	3.0
151.03908	8.8
151.07603	2.0
160.12569	1.7
161.06020	4.5
163.03943	3.8
163.99820	1.5
165.05487	23.5
169.04892	1.9
175.14845	77.6
176.15178	1.8
177.05481	14.2
179.07071	4.1
189.05505	3.6
191.07103	6.2
193.08704	3.2
193.15892	68.0
195.06653	1.9
195.67844	1.4
205.05101	2.0
207.06587	5.9
211.16939	3.6
238.16455	1.7
273.07544	4.0
291.08640	60.9
292.09155	2.5
301.09290	2.6
303.08798	4.0
313.18008	7.1
317.10477	2.4
329.10159	3.4
331.19083	14.0
341.10202	2.0
343.11996	3.0
349.20148	6.6
384.86179	1.6
387.98880	1.5
465.22998	5.3
483.23990	2.1
511.25464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05114	1.3
53.03942	3.9
55.01870	3.1
55.05514	19.1
57.03440	18.8
57.07069	6.4
57.96771	1.2
61.02929	59.0
67.05509	22.1
69.03429	23.9
69.07071	24.9
71.01340	3.0
71.04995	5.0
71.08640	5.1
71.56073	1.2
73.02918	22.9
75.04478	1.9
79.05493	13.3
80.50980	1.3
81.03426	20.9
81.07063	25.5
83.04974	4.2
83.08624	17.3
85.02909	76.2
85.10197	2.6
87.04478	4.2
91.03957	42.6
91.05479	5.6
93.07040	16.5
95.04950	3.5
95.08615	24.9
97.02893	64.2
97.06532	3.4
97.10185	11.4
99.04462	9.8
101.02391	6.8
103.03929	11.2
105.07025	5.5
107.08607	10.0
109.02884	8.9
109.06518	1.8
109.10159	13.5
111.04466	2.5
111.08080	2.6
111.11713	3.7
115.03231	1.5
115.03923	6.7
117.05476	4.1
117.07005	2.2
119.08572	4.1
121.10143	15.6
123.11684	6.5
125.75707	1.3
127.03923	26.8
127.71483	1.2
129.05466	6.3
129.07005	3.0
131.08586	2.6
133.10155	3.8
135.08096	1.6
135.11711	12.2
137.05986	2.3
142.07883	1.7
143.08543	1.4
145.04967	15.5
145.10144	3.0
147.04379	1.3
149.13252	5.0
151.14796	2.1
157.10126	2.8
159.06606	2.2
159.11685	4.2
162.33554	1.7
163.06033	4.5
163.14783	2.3
165.16313	1.9
171.06535	3.7
183.06529	11.4
201.07603	7.2
219.08389	1.4
247.24222	10.6
265.25275	24.8
337.27563	1.7
339.28952	100.0
340.29065	2.6
349.27222	1.6
367.28336	4.0
373.27402	2.9
381.29886	4.5
409.29565	1.6
411.30740	1.8
447.31067	4.3
465.32227	4.2
483.33163	10.7
501.34106	2.2
663.39380	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	662.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90749	0.6
55.01862	1.0
55.05502	2.3
57.03438	1.1
57.07055	0.8
61.02926	0.6
65.03918	0.7
67.05508	3.1
68.99796	1.5
69.03078	0.8
69.03435	10.7
69.07074	5.4
69.27063	4.4
69.27470	1.4
74.95651	0.5
79.05500	2.8
81.03396	1.5
81.07064	5.1
83.01370	0.6
83.08607	1.2
85.02908	6.3
91.05482	5.8
93.07053	5.1
95.04986	2.6
95.08615	8.0
97.02903	2.8
103.05460	0.9
105.03420	0.9
105.07043	7.5
107.04954	1.2
107.08609	7.9
109.02889	1.3
109.06537	1.3
109.10159	7.1
111.04453	0.7
117.07028	1.6
119.04935	5.6
119.08591	23.4
121.06503	3.8
121.10146	6.5
123.04436	49.4
123.11696	3.6
125.02354	0.6
127.03929	1.6
131.08571	1.3
133.06528	0.9
133.10135	27.8
134.10452	0.7
135.04424	1.9
135.08044	1.6
135.11702	10.6
137.02310	0.6
137.05977	2.3
137.09599	1.9
137.13272	1.3
139.03906	5.8
140.04254	0.7
141.05473	2.0
143.04897	0.8
145.06473	0.7
145.10124	2.1
147.04419	22.4
147.08087	0.6
147.11713	3.7
148.05037	0.5
149.05968	4.4
149.13248	2.2
151.03932	9.9
151.07458	0.5
153.05467	7.7
160.12497	0.8
161.05991	5.9
163.03960	2.6
163.07587	3.4
163.14908	0.6
165.05486	100.0
166.05830	1.4
167.07079	3.5
170.86652	0.5
173.06035	1.4
173.13306	3.8
175.07573	3.0
175.14838	66.4
176.15158	1.4
177.05476	12.5
177.16501	0.6
178.05911	0.6
179.07037	7.0
181.04872	0.9
187.07683	0.6
189.05478	7.5
190.06276	0.9
191.07045	26.8
193.04948	0.9
193.08647	10.9
193.15901	12.9
195.06549	3.0
203.07053	1.8
205.08730	2.5
207.06555	8.6
217.08522	0.6
219.06581	0.6
219.10150	2.2
221.08014	0.9
229.08615	0.9
231.06499	0.8
231.10193	1.3
233.11720	2.0
243.10162	1.3
249.07674	1.1
257.08395	0.5
257.11679	1.8
271.13297	1.4
273.07910	0.7
285.07648	1.5
291.08734	1.5
293.07791	0.8
299.09116	5.7
303.08658	6.0
309.09714	0.7
311.09229	0.6
313.17984	35.5
314.18384	1.0
315.19986	0.6
317.10214	64.5
318.10736	1.2
325.10721	3.1
329.10196	1.6
331.19049	34.2
332.19305	1.3
341.10193	4.4
343.11682	4.1
343.18936	1.1
371.14996	0.6
447.21735	3.8
461.14383	1.4
465.22763	10.3
475.23636	0.6
477.55280	0.7
479.15433	1.0
483.23737	7.4
493.24280	1.4
524.57800	0.6
662.19568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55483	0.5
53.03944	1.1
55.01860	1.9
55.05481	0.5
58.22614	0.4
61.11750	0.5
65.03936	1.1
67.05492	2.0
68.99787	1.1
69.03435	0.9
70.06595	0.7
71.57505	0.9
79.05498	3.0
81.03410	1.4
81.07028	1.3
85.02898	1.6
91.05511	2.6
93.03384	0.8
93.07048	1.4
95.04964	4.5
97.02892	0.9
97.06517	0.7
103.05462	3.8
105.03403	1.3
105.07038	0.7
107.04964	4.8
107.08604	0.6
109.02898	2.2
109.06531	0.6
111.04446	1.6
115.05486	1.6
117.07021	5.0
119.04958	5.8
119.08527	0.5
121.02846	0.7
121.06472	1.0
121.10165	0.4
123.04433	35.3
124.05141	0.7
127.03904	2.3
131.04936	6.5
133.06508	0.9
133.10065	0.6
134.05954	0.5
135.04428	4.3
137.02359	1.2
137.05994	6.3
139.03903	15.7
140.04668	0.6
143.04919	0.7
145.06487	11.2
145.07613	0.5
147.04414	20.3
149.05911	0.6
151.03909	100.0
152.04303	0.9
153.05447	2.7
155.07062	1.3
161.05998	4.4
163.03899	4.9
163.06297	0.5
163.07549	2.2
165.05504	8.9
167.07060	9.1
169.06435	0.5
173.06013	5.2
175.03879	1.3
175.07597	1.5
177.05539	0.9
177.09097	3.9
179.03384	0.5
179.07068	1.8
181.04970	16.4
181.06325	0.6
183.06546	1.7
187.07559	1.9
189.05507	1.4
191.06844	0.5
193.04964	5.3
197.06046	0.8
199.07462	0.6
201.05284	0.6
203.08826	0.5
205.08603	8.4
207.06529	3.9
209.08147	0.8
215.06998	1.2
217.08636	1.3
221.07951	0.8
233.08127	1.8
234.06778	0.8
239.07066	1.1
243.06467	0.8
249.09111	2.0
251.13353	0.5
257.08154	0.7
266.09311	0.5
267.06329	1.0
277.08606	1.7
281.11526	0.7
285.07495	3.5
294.08765	0.5
303.08636	78.2
304.09055	1.4
309.11157	2.9
310.11865	0.5
341.13797	1.9
353.05731	0.5
357.13333	0.7
359.14893	71.4
360.15283	1.7
385.12888	1.0
415.14063	0.6
417.15854	0.5
509.18198	0.6
601.32318	0.6
661.37335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03939	1.3
55.01868	2.5
63.75209	0.4
65.03929	1.4
67.05496	2.0
68.99784	1.4
69.03426	1.3
69.07069	0.6
69.68194	0.4
70.69205	0.5
70.69530	0.7
77.03902	0.9
77.72649	0.4
79.05486	1.7
81.03421	1.0
81.07058	0.9
83.04998	0.5
85.02900	1.1
91.05486	2.6
93.03399	1.2
93.07048	1.1
95.04977	5.5
95.08595	0.5
97.02886	1.3
98.20711	0.5
99.00932	0.5
103.05492	2.8
105.03385	1.9
105.07031	1.4
107.04971	3.7
107.08576	0.6
109.02867	1.7
109.06547	0.6
109.10168	0.9
111.04442	1.9
115.05453	1.4
117.07034	5.8
119.04943	6.3
119.08617	0.7
121.02878	0.8
121.06503	0.7
122.03658	1.0
123.04438	40.4
124.07590	0.5
125.02399	0.5
127.03903	2.1
131.04948	7.3
133.10150	0.8
135.04453	3.6
137.02296	0.8
137.05980	8.9
138.06375	0.5
139.03903	15.0
140.04613	0.6
143.04907	1.3
145.06494	9.6
147.04417	19.8
147.63539	0.5
149.05923	0.7
150.03036	0.5
151.03912	100.0
152.04253	1.1
153.05467	4.0
155.07019	2.2
161.06021	3.7
161.09578	0.6
163.03932	5.4
163.07541	2.6
165.05504	8.2
167.07045	6.8
168.64394	0.4
169.06390	0.5
173.06009	5.2
175.03903	1.0
175.07553	1.9
177.05531	1.3
177.09099	4.7
179.03326	0.6
179.07056	2.0
181.04976	14.0
181.06372	0.5
183.06581	1.6
187.07600	2.1
189.05464	0.8
193.04979	4.6
197.06087	1.4
205.08607	8.0
207.06532	4.0
209.08145	0.6
211.07489	0.6
215.07114	1.1
216.97713	0.5
217.06610	0.7
217.08620	1.4
221.09592	0.6
225.05405	0.6
231.06322	0.5
233.08121	0.7
239.06979	0.7
243.06599	1.7
249.09160	1.8
257.08157	0.7
261.07797	0.5
267.06485	0.9
277.08652	2.2
285.07675	3.5
295.09299	0.5
303.08646	86.6
304.09039	2.2
309.11237	2.0
310.11774	0.5
338.31348	0.5
341.13907	2.3
359.14899	74.0
360.15244	2.4
379.76096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70420	0.7
53.03925	1.2
55.01849	1.5
55.05517	3.5
65.03941	0.7
67.05480	3.4
67.31005	0.6
68.26254	0.6
69.03431	9.4
69.07072	6.2
69.44032	4.8
69.50019	0.7
70.09396	0.9
77.03954	0.9
79.05463	2.7
80.36021	0.7
81.03413	1.2
81.07069	5.9
83.01265	0.8
83.04964	0.9
83.08593	1.8
85.02899	5.6
89.49430	0.7
91.05484	7.4
93.07053	4.6
95.04958	1.9
95.08608	11.4
97.02879	3.1
103.05498	1.2
105.07025	7.5
107.04990	0.9
107.08615	7.0
109.02863	2.2
109.10152	7.6
117.07018	1.1
119.04951	4.9
119.08587	28.2
121.02822	1.7
121.06509	3.2
121.10130	6.1
123.04433	48.3
123.08017	1.1
123.11687	2.9
127.03898	1.0
131.04889	0.8
131.08603	1.2
133.06503	1.2
133.10130	31.4
135.04414	1.7
135.08051	1.3
135.11700	8.2
137.02219	1.0
137.05960	2.1
137.09599	3.7
137.13211	1.1
139.03894	5.6
141.05484	2.8
145.04860	0.8
145.06537	1.5
145.10100	2.4
147.04413	21.8
147.08049	1.1
147.11699	4.7
149.05962	4.0
149.13261	2.4
151.03912	9.5
151.07558	1.1
151.14772	1.0
153.05435	5.7
161.05969	6.6
163.03899	1.4
163.07513	4.0
165.05481	100.0
166.05861	1.1
167.07066	3.7
173.06041	0.9
173.13339	2.6
175.07565	1.8
175.14830	99.8
176.15181	1.5
177.05489	10.7
177.06934	1.4
179.07092	6.2
181.04991	1.2
189.05502	8.8
191.07024	22.2
193.08656	8.8
193.15891	19.9
195.06540	2.5
203.07060	1.2
205.08601	1.9
207.06516	11.2
217.08655	0.9
219.06422	0.8
219.10214	1.0
231.06580	1.5
231.10226	1.2
233.11813	1.0
235.07555	1.1
249.07408	0.9
253.05890	0.8
257.11792	1.7
263.07062	1.8
281.08072	1.0
285.07736	1.6
291.08795	1.0
293.08185	1.9
299.09097	5.4
303.08612	3.9
313.17987	28.3
314.47226	0.8
317.10193	62.6
318.10651	1.5
325.10873	2.3
329.10513	1.7
331.19022	29.9
341.10297	3.1
343.11899	3.0
447.21677	1.9
461.14569	2.0
465.22757	7.3
468.57254	1.0
479.15527	1.2
483.23746	12.6
493.24548	1.3
547.26080	0.9
662.20538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.0
55.01870	5.9
55.05515	12.6
57.03185	2.0
57.03440	27.0
57.07072	2.7
61.02930	88.5
61.12215	1.0
61.68587	1.2
65.03934	2.8
67.05508	48.0
69.03435	35.2
69.03812	2.0
69.07068	9.6
69.40224	5.7
69.40648	4.2
71.01352	3.5
71.04983	5.3
71.05328	1.1
73.02923	34.2
75.04475	1.8
75.52946	1.1
79.05057	2.4
79.05499	31.2
80.34228	1.3
81.03424	26.6
81.06579	2.6
81.07063	49.3
83.04990	5.1
83.08619	5.4
85.02910	100.0
85.06517	1.4
87.04482	3.7
91.03963	58.7
91.05489	21.4
92.87918	1.0
93.07053	36.0
95.04977	4.7
95.08611	36.9
97.02899	76.1
97.06528	2.0
97.10188	1.7
98.21462	1.9
99.04461	13.7
99.08106	1.6
101.02390	8.5
103.03947	11.8
105.07035	16.5
107.04945	2.4
107.08606	19.6
109.02886	14.1
109.06512	2.9
109.10162	20.8
111.04447	3.3
115.03937	8.8
117.05491	3.3
117.07002	8.0
119.08595	14.0
121.06477	1.6
121.10152	20.1
123.08096	1.8
123.11722	7.8
127.03927	33.3
129.05499	6.7
129.07077	2.3
130.07773	1.4
131.08566	11.2
133.10130	10.2
135.08037	1.7
135.11699	12.2
137.09625	1.6
137.13287	3.3
141.05571	1.8
143.08575	2.0
143.11104	1.3
145.04976	20.8
145.10153	8.0
147.08058	1.8
147.11696	7.7
149.02345	1.7
149.13289	6.1
154.89104	1.3
155.07025	1.5
157.10133	2.0
159.06564	4.1
159.11691	8.5
161.13225	7.4
163.06064	5.7
163.14851	4.4
165.12785	1.7
171.06535	2.1
171.11714	2.5
173.13321	7.9
175.11377	1.4
175.14868	3.1
177.16487	1.3
183.06552	13.0
185.13208	1.9
187.14833	3.6
195.13675	1.6
201.07590	7.1
201.16399	1.5
243.21159	7.9
257.26794	1.7
259.20648	2.7
261.22156	21.2
275.20520	1.4
275.23782	1.3
279.23138	2.2
303.23160	2.2
315.23273	1.9
317.24731	1.7
327.23328	1.7
335.25803	94.1
336.26221	2.4
351.23105	1.7
363.25580	2.5
369.24124	4.0
377.27026	2.5
404.12021	1.4
443.27917	4.1
461.28757	3.1
479.29993	8.5
497.30984	2.7
504.04175	1.3
659.36279	7.5
673.11163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
54.19622	2.7
55.05508	16.8
57.07084	4.0
59.12490	2.5
67.05505	27.1
69.03437	6.8
69.07076	20.6
71.09428	5.3
79.05505	22.7
80.63081	2.8
81.03410	5.2
81.07063	42.8
83.08607	9.2
85.02928	4.2
85.06531	5.8
91.05474	15.4
93.07039	31.6
93.10796	2.9
95.04956	7.4
95.08614	54.3
97.10163	6.8
99.08093	13.2
105.07027	16.0
107.08607	40.8
109.10145	26.9
111.08105	4.6
117.07024	9.7
119.08570	11.2
121.09321	4.8
121.10152	62.6
123.11709	6.8
127.03960	3.7
129.07018	5.1
131.08588	9.4
133.10150	10.7
135.08078	6.3
135.11726	14.4
137.13275	7.9
145.10123	12.4
147.11673	5.1
149.09668	3.5
149.13284	9.1
152.97464	2.7
157.10175	5.1
159.11682	9.0
161.13293	4.6
165.16417	4.0
173.13261	4.8
177.16396	100.0
183.17456	4.1
185.13222	4.8
195.11609	3.0
195.17459	52.7
213.18439	13.7
225.16370	3.5
231.19644	14.9
241.15791	3.0
289.21011	3.1
303.23248	4.1
369.23712	3.6
396.29321	3.0
610.46997	3.1
629.05072	3.2
678.54279	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	655.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05499	1.0
59.78654	0.7
67.05497	1.1
69.03442	0.8
69.07075	0.8
70.08155	2.9
71.96497	0.8
79.05491	1.2
81.03412	1.7
81.07057	1.7
87.56298	0.8
91.05477	8.6
93.07044	8.6
95.04980	3.3
95.08624	1.6
98.21442	1.0
100.98231	0.7
103.05470	6.4
105.04500	0.9
105.07041	2.1
107.08599	1.1
109.06532	1.0
109.35105	0.9
109.60099	0.8
113.24290	0.7
113.66897	0.7
115.05459	2.5
117.06944	1.3
119.04182	0.7
119.04943	3.0
120.05686	0.9
121.06513	43.7
123.04472	1.1
129.41216	0.7
132.05754	1.4
133.10065	0.7
135.04465	1.0
135.08118	0.9
137.06021	1.4
139.03867	0.8
147.04506	1.7
151.03947	1.6
151.07567	6.8
156.23917	0.7
160.05202	2.7
161.05942	0.9
163.03960	5.8
164.07076	3.2
167.07043	1.4
167.28380	0.8
171.04367	1.1
175.03896	1.5
175.07535	0.7
179.08534	2.0
181.04993	1.0
188.04659	1.0
189.07011	1.4
191.07040	1.5
192.66434	0.8
201.05379	14.3
203.07065	1.6
205.06502	3.1
207.06456	2.3
207.08098	10.6
215.95322	0.7
216.04224	1.2
217.06541	1.0
219.08134	0.9
220.05257	2.4
221.06000	1.3
222.06886	0.8
224.08316	2.1
231.06528	42.2
232.05185	7.9
232.07132	0.8
233.06108	3.7
234.06741	1.6
235.07562	21.5
236.07889	0.8
237.09116	2.4
239.10704	1.1
244.06152	0.8
248.04657	1.0
249.05486	2.2
250.06230	3.4
251.07079	1.9
252.07793	4.4
260.04709	42.4
261.05518	5.3
263.04428	1.3
263.07062	12.1
264.07837	1.2
265.04877	1.0
265.08701	3.7
267.06958	1.0
267.10144	12.3
269.08319	1.2
274.07156	1.1
275.06992	1.0
278.05750	6.4
279.06363	1.6
280.07333	2.7
282.08951	2.8
287.05487	1.7
288.04163	3.2
291.06577	2.2
292.07040	0.8
293.08163	8.9
295.09695	7.7
297.07574	4.2
297.11087	1.4
306.05231	12.2
307.06039	1.1
312.09979	8.5
321.07587	100.0
322.07990	2.6
323.09128	15.0
324.09409	1.0
325.10361	0.9
327.12244	8.8
338.07886	2.0
353.10199	40.9
354.10645	1.1
364.12006	1.4
394.12897	16.3
399.10791	1.4
407.53052	0.8
422.26218	0.9
460.17343	3.8
488.17136	5.9
490.18619	50.5
491.19028	1.6
518.18127	51.4
519.18433	2.5
655.25385	4.3
655.39996	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	659.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08440	1.8
53.03957	2.3
54.77909	1.9
67.05498	5.9
69.03426	2.2
70.06596	3.0
71.35519	1.6
71.35844	2.5
81.03394	2.0
85.02916	5.2
91.05487	4.5
95.04970	3.3
97.02929	2.0
103.05478	1.6
105.07037	7.5
107.08542	2.4
109.10168	13.7
111.00805	1.7
111.04459	2.7
119.04941	5.0
119.08565	10.0
121.10148	3.6
123.04434	75.3
127.03959	3.4
131.08572	2.3
133.06505	3.9
137.06023	2.6
139.03912	100.0
140.11595	1.6
143.04997	2.7
145.10144	8.2
147.04420	21.8
147.11665	13.7
149.06017	2.8
151.03931	4.9
156.09384	3.7
161.05981	7.4
163.03946	2.7
165.05504	19.6
166.16718	1.7
166.41492	1.7
171.11742	2.9
177.05501	4.3
179.07040	3.9
187.11119	1.8
189.05472	5.5
189.12756	38.2
203.07034	35.3
207.06552	7.2
207.13872	7.4
217.08595	3.4
219.06544	1.8
223.08591	1.8
227.07048	5.2
228.07913	3.3
229.08627	3.9
245.08107	24.5
251.98039	1.9
255.13864	2.2
273.07523	9.4
273.14902	2.2
285.14886	2.9
289.10748	2.7
291.08661	41.3
303.15671	3.1
309.15002	2.8
327.15869	9.8
345.16989	16.7
359.03903	1.9
359.18491	2.1
379.11938	12.2
385.25415	1.9
397.12793	10.9
461.19504	10.1
479.20700	27.2
497.21716	9.0
499.73502	2.0
507.22412	12.7
641.25439	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	653.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61563	0.4
67.43606	0.4
69.48651	3.0
71.05002	0.6
91.05468	1.3
93.07057	0.7
95.04954	0.7
97.02858	0.6
105.07038	0.6
119.04938	1.4
121.06516	0.9
123.04454	0.5
131.08531	0.5
136.07584	0.7
137.06001	1.2
147.04420	1.0
151.03949	0.7
151.07570	0.8
153.87759	0.5
161.05983	0.5
165.09094	0.7
167.07069	0.7
171.60234	0.4
175.03940	2.2
176.06299	1.1
177.05522	0.7
177.06918	2.7
178.08717	0.9
179.08560	2.0
185.05836	0.4
189.06944	1.2
205.06511	17.2
207.06502	2.8
207.08180	1.4
211.80870	0.5
217.06525	0.9
222.06908	0.5
223.07465	0.6
233.05989	14.6
234.06468	0.7
235.07558	29.1
245.05878	0.7
247.07500	0.6
249.05495	0.5
251.06964	0.7
263.07053	55.4
264.07504	0.9
267.06750	0.7
293.08090	100.0
294.08539	2.2
310.10742	25.3
338.75739	0.5
344.14880	2.1
372.78958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52970	1.3
55.05503	4.3
56.89244	1.5
58.81163	1.4
61.00154	1.2
67.05227	1.2
67.05509	12.4
69.03429	4.4
69.07057	5.1
71.04977	4.8
71.56135	2.4
74.11100	1.5
75.38123	1.2
79.05512	11.5
81.03423	6.8
81.07063	22.7
81.96890	1.4
83.08604	2.0
83.98106	1.4
85.02903	3.7
85.06516	1.6
86.09723	1.4
91.05488	14.5
93.07050	14.5
95.04970	3.6
95.08613	17.8
97.02881	3.3
98.21082	1.7
99.04433	2.3
99.08073	3.8
105.07030	15.5
106.07490	1.3
107.08601	14.7
109.06546	3.0
109.10153	6.0
111.04340	1.4
113.09585	1.8
115.05387	1.4
115.06910	1.2
117.06982	3.7
119.08595	55.0
121.10156	7.8
123.11693	5.9
124.99956	1.6
125.05963	1.7
125.09637	1.5
129.06955	4.0
131.08562	5.8
133.10136	100.0
134.10500	2.1
135.08089	1.6
135.11700	17.2
137.09677	1.5
143.08533	2.2
145.10149	6.4
147.11667	5.4
149.13213	2.4
157.10161	3.7
159.11696	5.5
161.13251	2.6
166.78818	1.3
169.10191	1.7
173.13333	2.6
175.14839	73.2
176.15131	1.9
184.07372	6.6
185.13228	1.8
187.14783	1.9
193.15907	15.6
197.13223	2.3
201.16399	1.3
211.17003	8.1
303.23273	2.0
319.38577	1.6
351.22986	1.8
369.24377	5.0
387.25198	2.2
405.26544	3.7
520.91193	1.6
629.04071	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
53.03936	0.9
55.01881	1.6
57.03441	0.6
61.02922	0.7
65.03935	0.9
67.05501	0.7
68.99797	0.9
69.03446	3.2
69.80839	2.8
70.06593	0.6
71.04985	0.9
73.02863	0.6
77.03965	0.5
79.05494	1.9
80.28520	0.4
80.71923	0.5
81.03434	1.7
85.02919	8.5
91.05495	14.5
93.03423	0.8
94.04210	1.4
95.04964	2.1
97.02891	2.3
98.21437	0.7
98.28090	0.6
99.04448	0.6
103.05465	1.1
105.07053	0.6
107.04953	4.4
109.02898	1.3
111.04398	0.7
115.03925	0.7
119.04958	31.1
121.02843	0.6
121.06486	2.7
122.03665	3.0
123.04446	26.9
125.02369	0.8
127.03911	2.0
131.04971	3.2
135.04436	7.5
136.05302	0.7
137.05992	100.0
138.06335	0.8
139.03923	14.3
141.07082	0.6
143.04962	1.5
145.04965	1.1
147.04427	65.0
148.04744	0.5
149.06041	2.8
150.67917	0.5
151.03932	7.4
151.07538	4.2
157.06531	1.2
161.05972	3.5
163.03928	22.6
163.07539	2.5
165.05507	7.0
165.06882	0.9
167.07054	5.7
169.06479	0.7
171.04420	2.0
175.03955	2.3
175.07562	2.0
177.05486	1.8
178.89983	0.5
179.07059	58.8
181.04929	1.4
181.06427	0.7
181.08640	0.5
185.05882	0.6
187.03871	0.7
187.07623	0.7
189.05542	1.3
189.09100	1.8
191.07013	2.6
193.05000	9.5
193.06702	0.7
197.06065	2.2
197.08084	12.9
199.07620	1.0
203.07053	2.7
205.04971	1.1
207.06537	1.3
209.07961	0.6
211.05997	1.5
211.07738	1.2
215.07114	0.8
217.05060	0.9
217.08661	1.0
225.05331	0.7
229.08624	1.3
239.07036	1.9
243.06299	0.6
245.08031	0.6
257.08081	1.5
267.06598	2.0
273.07596	1.0
275.09152	0.7
283.08371	0.9
285.07712	0.7
287.09265	2.2
291.08621	6.6
299.09171	8.4
303.08722	0.8
311.11490	1.2
315.08780	1.8
317.10208	10.2
335.11273	16.9
341.12390	1.7
345.09787	1.1
439.13724	0.9
451.13834	1.1
467.27185	0.7
469.15115	3.8
479.15424	1.2
487.15839	2.5
498.15686	0.6
543.21466	0.6
613.22491	0.5
649.23480	0.9
654.75464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.25148	0.9
57.03443	1.1
59.73598	0.8
65.03936	1.1
67.05501	1.8
68.99797	2.3
69.03426	1.6
70.06597	13.1
70.47960	2.3
70.48295	1.2
71.01368	1.2
72.08164	1.2
85.02910	1.9
86.09713	2.2
91.05495	1.8
95.04973	5.3
103.05495	1.4
105.03396	1.2
107.04975	3.6
110.06121	1.1
111.04492	1.4
115.05444	2.6
117.07022	1.6
119.04929	2.7
121.02877	1.1
121.06516	1.0
123.04436	38.8
127.03950	1.2
129.06998	1.6
131.04956	2.0
133.06508	2.9
135.04431	25.1
136.07602	1.8
137.02365	3.0
137.05986	3.2
138.05499	1.5
139.03914	17.2
139.04930	1.6
143.04977	1.2
145.06499	1.9
147.04443	6.9
149.06017	2.9
151.03911	8.9
151.07556	5.3
153.05504	2.2
157.06546	1.7
157.43701	0.9
159.04475	1.4
161.06001	10.2
161.09712	1.0
163.03909	26.1
163.05235	1.6
163.07550	4.4
164.07114	1.2
164.11458	1.0
165.05461	1.8
167.07092	1.3
167.08479	1.0
169.06625	1.1
173.06039	3.2
175.03941	2.3
175.07578	1.4
177.05502	3.5
178.08684	3.9
179.03352	0.8
179.07048	32.3
179.08255	1.4
181.05084	1.2
181.06572	1.0
183.04510	1.5
185.06013	2.1
187.03996	2.0
188.07098	3.1
189.05472	1.5
190.08757	4.4
191.03377	2.0
191.07123	7.2
193.04984	1.5
196.09692	12.0
197.06038	1.1
201.05443	3.1
203.03398	1.9
203.07104	3.8
207.08197	1.3
208.09732	3.2
211.07635	1.2
213.05463	2.1
215.03462	1.2
217.04881	1.3
219.06583	1.8
227.07129	1.1
229.05014	1.9
229.08705	1.2
235.07639	1.9
237.05493	1.9
239.07123	1.3
243.06537	0.9
251.07002	1.1
253.04997	1.5
253.08694	2.9
255.06558	5.4
257.04532	2.8
257.08170	1.5
259.06100	4.0
265.08670	1.6
269.04486	1.5
269.08014	1.4
271.06027	2.3
271.09552	1.5
273.07712	1.6
279.06433	1.7
281.05026	1.7
281.08063	9.9
283.06161	7.2
283.08893	1.3
285.07532	2.3
293.08157	1.2
294.05240	1.1
295.06192	2.1
295.09796	2.5
296.09454	1.5
297.07648	8.0
298.10815	6.1
299.09128	8.3
301.07190	3.2
305.08160	2.3
305.57605	1.0
308.09171	13.3
309.07568	32.4
310.08014	1.6
311.09070	4.3
313.07513	1.3
313.10931	3.2
316.11795	21.3
321.07870	1.9
322.10922	3.7
323.09247	7.1
326.10226	28.8
328.11893	1.4
338.10220	1.4
339.08563	5.7
340.12021	3.7
341.10199	4.4
351.08612	1.6
358.12854	23.2
409.09302	1.3
411.10809	2.2
460.13849	3.3
461.12354	7.7
478.15009	30.1
479.13788	1.2
496.16113	2.3
603.41040	1.0
630.20850	2.7
631.18597	1.2
648.20764	100.0
649.20959	3.3
676.92358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
60.29292	1.0
60.36409	0.9
62.88012	0.9
67.05508	3.1
68.05023	0.9
68.99798	2.4
70.06596	10.9
71.01363	1.0
71.55891	1.1
71.56305	1.4
79.05495	2.1
85.02908	1.8
86.09669	1.1
91.05499	3.2
93.07056	1.1
95.04980	6.7
97.02903	1.4
99.04466	1.0
105.07044	1.3
107.04976	2.4
109.06550	1.5
115.05466	1.4
117.07034	1.0
119.04976	3.1
123.04436	34.3
127.03939	2.5
129.06990	1.3
131.04927	1.6
133.06543	2.6
135.04427	24.1
137.02380	3.1
137.05997	3.2
138.05446	1.2
139.03906	16.9
139.04895	1.4
145.06522	2.2
147.04439	5.9
149.06017	2.6
151.03946	7.5
151.07561	4.4
153.05511	2.6
157.06532	1.3
159.04434	2.3
161.06013	9.0
163.03912	29.4
163.07587	4.2
165.05521	2.0
167.03482	1.1
167.07083	2.3
173.06006	3.2
175.03970	2.7
175.07504	2.3
175.28392	1.0
177.05507	4.7
178.08736	2.2
179.03514	2.3
179.07057	33.3
179.08488	1.9
181.04904	1.0
185.06032	2.7
187.03963	1.8
187.07562	1.7
188.07062	4.4
190.08649	3.0
191.03391	1.6
191.06999	7.8
193.05005	2.9
196.09727	13.9
201.05478	2.2
203.03502	2.2
203.07050	3.4
205.04922	1.3
207.06392	1.1
207.08115	1.3
208.09729	4.4
213.05553	2.5
215.07126	2.8
219.06390	1.3
221.06143	1.6
221.08112	1.6
225.05624	1.1
225.09059	1.4
227.07118	2.0
229.05016	2.0
229.08679	1.3
235.07663	3.0
237.05391	1.3
238.06247	0.9
238.10767	3.0
239.07068	1.5
241.04909	1.8
241.08739	1.1
253.04875	2.1
253.08733	2.8
255.06610	7.1
257.04663	1.5
257.08005	2.1
259.06125	3.1
263.07065	1.8
265.08612	1.4
267.06644	1.9
269.04721	2.2
269.08203	3.5
271.06070	1.6
271.09680	1.6
273.07803	2.5
277.08817	1.9
279.06464	1.3
281.05112	1.8
281.08032	9.5
281.10565	1.1
283.06058	7.8
283.09265	1.8
285.07758	2.8
287.05963	1.3
287.09128	2.0
291.06586	1.5
294.05289	2.2
295.06052	1.2
295.09653	2.5
297.07565	9.8
298.10745	4.9
299.09171	10.3
301.07193	2.7
305.08179	2.3
308.09186	14.6
309.07599	32.6
310.08026	1.9
311.09216	4.0
312.12411	1.1
313.10495	1.8
316.11798	21.2
321.07724	1.3
322.10745	3.1
323.09164	5.9
326.10239	28.6
328.11954	1.5
334.41162	1.0
339.08655	7.3
340.11945	5.5
341.10205	6.1
343.19714	1.2
351.08832	1.5
358.12820	18.9
358.16907	1.3
435.10654	1.6
449.12213	1.4
460.14044	2.6
461.12259	6.8
463.34537	1.1
478.14975	29.8
479.13461	2.2
496.16269	3.2
578.71155	1.1
630.20801	1.8
648.20795	100.0
649.20569	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	645.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	1.4
53.03940	2.3
55.01863	3.6
55.05501	3.7
57.03426	2.2
67.05487	6.4
69.03435	17.0
69.07062	5.3
69.11717	1.5
70.80914	3.1
79.05493	7.3
81.03390	3.7
81.07061	10.2
83.08623	2.9
85.02914	14.5
85.06529	1.5
91.05474	9.2
93.07063	9.3
95.04986	2.7
95.08623	18.9
97.02905	4.9
105.03370	1.7
105.07043	13.3
107.04948	3.6
107.08598	13.3
109.02874	4.7
109.06507	4.7
109.10178	12.2
111.04416	2.4
115.05507	2.8
117.07041	3.8
119.04931	5.9
119.07944	1.7
119.08602	22.4
121.06546	8.5
121.10165	12.4
123.04442	78.6
123.08035	1.6
123.11677	8.3
127.03931	3.4
129.07062	1.8
131.04922	2.4
131.08621	1.8
133.06505	2.5
133.10147	30.9
135.04414	5.6
135.08029	4.4
135.11707	12.9
137.02280	1.6
137.05980	7.0
137.09610	5.3
137.13264	4.3
139.03911	12.0
141.05420	4.1
145.06458	3.0
145.10106	2.4
147.04427	22.0
147.11707	4.6
149.06015	11.1
149.13272	7.2
151.03929	18.8
151.07591	2.2
153.05508	10.0
159.08026	2.2
161.06021	7.5
163.03896	6.3
163.07542	8.2
163.14944	1.8
165.05493	100.0
167.07045	11.0
168.07364	1.7
173.06010	4.9
173.13251	3.5
175.07600	5.7
175.14851	46.7
176.04582	1.5
177.05479	20.4
179.07024	10.3
181.03081	1.4
181.04970	4.7
187.07571	3.1
189.05467	15.9
191.07050	65.9
191.08817	3.1
193.08633	14.1
193.15909	9.0
195.06476	3.2
201.05496	2.4
203.07057	6.6
205.08574	5.2
207.06480	7.6
213.48555	1.4
215.07022	3.2
217.08542	2.4
219.10178	3.1
229.08681	2.4
231.06509	3.0
231.10005	3.6
233.11638	4.5
243.10179	3.5
245.11771	2.5
257.11746	5.8
271.05991	1.9
271.13260	1.8
273.07568	4.4
285.07501	5.2
291.08557	2.6
299.09195	15.6
303.08484	4.1
309.09668	2.5
311.09021	2.4
313.10770	1.7
313.17993	47.9
317.10220	41.0
323.09128	3.4
325.10727	11.5
329.10284	2.3
331.15442	3.1
331.19077	42.8
341.10132	6.4
343.11874	7.8
355.18915	1.9
371.60416	1.8
373.20218	1.8
447.21780	13.3
461.14191	2.4
465.22729	29.9
475.23340	2.9
483.23596	6.9
493.24023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01874	2.0
55.05269	1.3
55.05516	18.7
57.03426	3.9
57.07067	3.0
57.64386	0.9
58.20953	0.8
60.75473	1.0
65.03935	1.7
67.05509	66.3
69.03426	1.5
69.06727	1.7
69.07073	26.5
71.04997	6.8
71.08640	1.5
71.57891	1.5
79.05496	30.8
79.80164	0.8
80.68516	1.0
81.03387	1.0
81.07062	80.3
83.04977	3.1
83.08627	12.5
85.06544	4.8
91.05486	17.1
93.06470	1.9
93.07052	37.0
95.04991	1.9
95.08612	69.7
97.06530	7.9
97.10150	7.3
99.08088	2.0
103.58250	0.8
105.07040	14.7
106.09882	1.2
107.07869	1.4
107.08595	25.9
109.06525	2.4
109.10165	36.2
111.08081	4.1
111.11726	2.4
113.09613	1.3
117.07002	4.5
119.08583	14.2
121.06483	1.7
121.09309	1.7
121.10147	23.2
123.08096	3.0
123.11714	12.6
125.09650	1.7
131.08591	10.8
133.10141	11.8
135.08047	1.8
135.11694	20.1
137.09669	2.1
137.13246	6.1
139.11177	2.8
143.08540	1.7
145.10139	9.5
147.11693	12.9
149.09567	2.0
149.13274	7.7
151.07590	0.9
151.11191	2.0
151.14781	1.7
153.12704	1.2
155.08595	1.4
157.10121	2.3
159.08092	1.3
159.11690	6.7
160.32942	0.9
161.13263	10.5
163.11157	1.8
163.14861	3.6
165.12718	3.0
167.14322	1.2
169.10181	1.6
171.11674	2.0
173.09506	1.0
173.11850	1.5
173.13278	6.0
175.07542	1.0
175.11104	1.1
175.14816	3.5
177.12677	1.1
177.16386	2.1
179.14285	2.7
181.12085	0.9
183.11803	1.3
185.13373	0.9
187.14836	3.6
191.14362	1.8
201.16347	2.4
205.15872	1.4
209.15344	1.7
215.18004	1.1
223.16986	2.1
233.22595	1.2
243.21130	11.8
261.22153	31.1
261.48581	1.0
279.23203	100.0
280.23462	2.0
281.24640	1.4
284.06006	0.9
297.24280	34.8
388.16415	1.1
392.08667	1.4
450.09482	2.2
478.09109	4.1
479.09543	1.6
510.12015	13.4
511.12070	1.5
521.43298	2.6
529.46149	1.6
539.44751	11.5
557.45618	20.5
575.46863	11.4
593.47491	4.2
611.48566	2.6
647.33441	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	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01882	1.5
55.02995	1.2
55.05511	2.3
57.03427	1.8
61.02921	1.8
63.67320	1.1
65.03924	1.5
67.05510	5.7
68.99792	1.9
69.03427	15.8
69.07061	3.7
71.57108	1.5
73.02916	1.3
79.05492	4.9
81.03419	5.1
81.07065	9.6
82.15689	1.1
83.04957	2.1
83.08615	2.9
85.02908	14.5
87.04509	1.2
91.05489	8.6
93.07055	8.2
95.04979	5.9
95.08610	15.8
95.71651	1.1
97.02888	6.0
99.04448	1.2
103.05490	1.3
105.07027	12.1
107.04937	3.3
107.08597	10.8
109.02882	2.9
109.06535	2.3
109.10166	11.5
111.04415	1.8
115.05444	1.9
117.07030	2.6
119.04936	7.1
119.08588	20.0
121.02878	3.2
121.06487	7.1
121.10149	8.3
123.04432	75.2
123.11689	5.4
127.03954	3.0
128.09610	1.2
129.06990	1.7
131.08632	2.6
133.06473	1.4
133.10135	26.2
135.04433	3.4
135.08076	5.1
135.11682	8.4
137.05986	6.1
137.09604	3.5
137.13303	2.4
139.03914	10.2
141.05493	2.4
145.06516	2.9
145.10159	1.9
147.04419	23.6
147.11661	5.0
149.05956	6.8
149.09567	1.3
149.13266	5.5
151.03923	10.8
151.07507	2.2
153.05499	7.8
159.08043	2.4
161.05972	8.4
163.03918	5.9
163.07524	6.5
165.05482	100.0
167.06987	6.7
173.05980	4.4
173.13260	3.0
175.07567	3.2
175.14835	41.4
177.05473	29.1
179.07045	8.1
181.04956	2.3
183.07924	1.3
187.07574	2.3
189.05461	14.6
191.07033	41.0
193.08636	13.1
193.15874	11.4
195.06548	1.9
201.05507	1.9
201.09148	2.0
203.07024	5.6
205.06772	1.8
205.08643	4.9
207.06519	8.8
215.07036	2.7
217.08670	1.8
219.10196	4.6
221.06003	1.5
229.08589	1.8
231.06433	2.1
233.11664	2.3
234.06841	1.5
243.10155	2.1
245.11829	1.5
249.70636	1.1
257.11777	2.7
261.07635	1.3
263.06912	2.3
273.07690	2.2
285.07593	3.0
291.08572	3.3
299.09241	7.7
303.08578	3.8
309.09903	2.7
313.17999	30.1
314.18439	1.7
317.10205	55.2
318.10504	1.6
322.07217	2.3
323.09164	3.0
325.10901	7.5
329.10162	6.1
331.18985	33.9
337.10767	2.1
341.10251	4.8
343.11783	7.4
355.11615	3.2
399.14322	3.7
400.18350	1.5
417.09802	1.3
447.21603	5.2
461.14438	4.1
465.22681	17.6
475.23254	3.0
479.15033	2.4
483.23788	16.8
492.32037	1.5
579.60590	1.5
619.58185	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67978	0.8
53.03944	2.0
55.01881	6.1
55.05507	2.0
57.03439	1.6
59.92971	0.7
61.02922	1.2
62.67097	0.7
62.94135	0.7
65.03958	2.0
67.05519	4.3
68.99822	1.1
69.03434	12.6
69.07068	3.7
70.00076	0.9
70.16045	3.5
79.05514	5.0
79.05894	0.8
81.03410	3.1
81.07063	7.1
83.04984	1.6
83.08599	1.7
85.02912	14.0
91.05479	7.5
93.03400	1.6
93.07055	8.0
95.04982	3.9
95.08617	11.0
95.25813	0.7
97.02894	4.8
99.04475	1.6
99.08135	0.8
103.05476	8.9
105.07027	11.9
107.04969	5.7
107.08601	9.5
109.02883	2.7
109.06533	2.7
109.10152	5.2
110.03737	0.8
111.04452	1.5
115.05463	2.6
117.07056	2.1
119.04955	7.9
119.08594	12.5
121.06502	7.1
121.10155	9.3
123.04435	52.3
123.08060	1.5
123.11710	4.3
125.06031	0.9
127.03928	4.1
128.06216	1.0
129.07011	3.0
131.04958	7.7
131.08562	2.0
132.05638	1.1
133.02856	1.0
133.06477	4.6
133.09128	1.0
133.10138	20.1
135.04407	3.0
135.08052	2.8
135.11694	9.6
137.05972	4.1
137.09633	2.2
137.13272	2.4
139.03918	5.7
139.11163	1.4
141.05446	2.7
141.07085	0.9
143.04929	2.7
143.08528	1.3
144.05690	1.6
145.05016	1.8
145.06458	1.9
145.10139	1.6
147.04425	20.0
147.08044	1.0
147.11702	2.9
148.05237	4.9
149.06024	4.8
149.09741	1.2
149.13286	6.1
151.03891	11.2
151.07585	1.9
153.05469	7.6
157.06535	1.5
157.10228	1.1
158.07335	1.0
159.04445	1.6
159.07973	1.9
161.05998	9.7
161.09659	1.3
161.13371	1.0
163.03912	3.6
163.07568	11.2
165.05486	100.0
167.07042	11.7
168.07423	1.3
169.04997	1.9
169.06400	1.0
173.06012	2.7
173.13293	2.7
174.06783	2.0
175.04060	0.9
175.07561	4.5
175.14845	27.9
177.05479	17.9
179.07077	8.3
181.04965	10.9
183.06531	1.0
187.07588	2.7
189.05489	9.7
189.09131	2.7
191.07045	51.1
192.07722	1.8
193.08638	19.2
193.15923	3.4
195.06564	2.6
199.07483	1.2
201.09103	1.6
203.07054	3.0
205.08633	5.1
207.06517	11.6
209.08086	6.3
215.07103	1.8
217.08537	5.6
217.15843	1.1
219.10204	2.2
221.08116	8.7
225.07481	1.3
229.08656	1.8
231.06538	2.0
233.08089	1.3
233.11584	1.0
235.07503	1.0
235.09729	2.4
243.10239	2.0
247.09709	2.5
257.11758	2.8
273.07645	1.3
281.08047	1.0
291.08475	1.2
293.07819	0.8
295.16888	2.0
299.09140	3.3
303.08743	5.5
309.09665	2.3
311.09235	1.1
313.18005	22.8
313.59726	0.8
317.10214	61.6
318.10818	1.3
323.09030	1.2
325.10748	1.1
325.18149	1.5
329.10168	3.2
330.10941	1.9
331.19070	29.0
341.10223	5.2
343.11777	8.9
343.18918	1.7
345.13409	1.5
355.19183	1.1
369.13312	0.9
371.14856	1.2
373.19949	1.2
383.14972	4.0
385.16122	1.0
418.16187	3.1
419.17084	2.9
429.30014	1.2
441.15533	4.7
447.21429	1.3
447.31375	1.0
457.21890	1.5
461.14902	1.7
465.22693	11.8
473.17911	4.4
475.23364	5.2
483.23798	13.8
493.24512	3.9
556.24896	1.0
645.24542	1.5
645.34668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56435	0.7
81.07065	0.7
123.04420	0.9
136.07588	0.8
137.06108	0.8
147.04411	0.8
165.06989	0.7
177.06995	2.9
178.08685	1.0
181.10013	0.8
194.07260	1.8
204.05827	0.8
205.06514	13.1
207.08087	1.4
219.08116	0.8
222.06787	5.1
223.07581	0.7
233.05989	14.8
234.06435	1.3
235.07495	3.7
237.09137	19.9
250.06271	2.0
251.07098	1.1
252.07819	1.7
263.07013	2.4
264.07761	4.0
265.08621	52.4
280.07306	2.9
295.09671	100.0
296.10046	3.0
312.12347	28.4
314.12613	0.7
390.82239	0.7
504.58627	0.7
621.64941	0.7
644.25763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03943	3.2
55.01878	7.2
55.05503	2.7
55.70988	1.0
57.03432	1.7
57.07061	1.0
58.76838	1.1
59.18518	0.9
61.02921	1.6
65.03933	2.5
65.15195	1.5
67.05493	4.3
68.99786	1.2
69.03433	15.7
69.07054	3.7
71.04974	1.2
71.56610	1.1
77.03928	1.1
77.87938	0.9
79.05494	8.3
81.03414	3.8
81.07060	8.1
83.04974	2.0
83.08609	1.2
85.02909	16.4
91.05483	9.4
93.07051	9.1
95.04955	4.7
95.08614	11.8
97.02911	6.9
97.06545	1.1
99.04480	1.0
99.08109	0.9
103.05469	11.8
105.03409	2.2
105.07032	11.2
107.04951	5.2
107.07971	1.2
107.08610	11.8
109.02866	4.5
109.06508	2.7
109.10180	7.4
110.03731	0.9
111.04469	1.6
115.05471	2.4
117.07003	4.2
118.04137	2.3
119.04967	6.5
119.08591	12.7
121.02866	1.3
121.06514	8.7
121.10148	7.9
123.04437	63.2
123.11700	5.0
125.05993	1.9
125.09657	1.1
127.03905	4.4
128.06157	1.0
129.06963	2.9
129.25604	0.9
131.04926	10.6
131.08514	2.7
133.02815	1.2
133.06476	5.5
133.10135	26.4
135.04430	3.9
135.08081	3.2
135.11697	10.1
135.88599	1.0
137.02321	1.4
137.05981	3.2
137.09631	1.8
137.13217	1.7
139.03917	8.3
139.11131	1.0
141.05449	2.9
143.04919	2.3
145.06505	3.4
145.10117	2.7
147.04413	25.6
147.11662	4.3
148.05183	4.2
149.05980	6.2
149.09662	1.3
149.13271	6.7
151.03905	11.9
151.07524	1.8
153.05457	9.0
156.05746	1.4
157.06523	1.3
158.10854	1.3
159.04381	2.2
159.08078	2.3
159.11578	1.1
161.06010	10.8
161.09671	1.5
163.03885	3.8
163.07568	10.9
165.05484	100.0
167.07060	14.8
169.05087	1.4
173.05951	4.1
173.09700	1.2
173.13240	4.0
174.06660	1.5
175.07529	4.8
175.14844	34.3
176.04668	1.5
177.05490	20.2
177.09088	1.4
179.07051	8.4
181.04951	13.0
187.07529	3.4
187.14761	1.1
189.05470	10.1
189.09145	3.4
191.07034	56.0
193.08626	21.9
193.15894	5.3
195.06476	2.5
201.05417	1.1
203.06996	3.4
205.08554	6.1
207.06541	12.2
209.08096	7.9
215.07010	2.4
217.08563	5.5
219.06490	1.9
219.10135	3.3
221.08119	7.8
225.07495	1.5
229.08844	1.2
231.06512	3.0
231.10152	2.4
233.11621	1.6
235.09731	2.1
243.10178	2.3
247.09647	2.8
257.11703	3.2
273.07550	1.9
285.07468	2.3
293.08072	1.2
295.16980	1.5
299.09073	3.0
303.08530	9.1
309.09656	2.4
313.17993	25.3
317.10233	63.9
325.10883	1.6
325.17776	1.0
329.10138	3.0
331.19052	30.3
341.10126	4.8
343.11728	8.5
343.18716	1.0
345.13373	1.7
355.18942	1.5
371.15060	1.1
373.20233	1.5
383.15051	4.8
388.15051	1.1
395.14456	1.1
418.16364	2.8
419.16757	2.6
441.15417	5.2
447.21777	2.0
457.22250	2.5
465.22769	11.7
473.18036	4.2
475.22983	6.1
483.23880	14.9
493.24261	2.6
605.56146	1.3
624.30157	1.1
645.35114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01852	1.4
65.03941	3.0
67.05498	0.9
69.03415	2.1
71.55562	0.6
78.04701	3.0
79.05495	2.4
81.03401	0.8
81.07050	0.5
82.04173	0.8
84.09066	0.4
85.02907	2.1
90.80615	0.4
91.05486	4.7
93.03402	0.9
93.07032	1.4
95.04982	2.6
97.06542	0.9
103.05480	3.7
104.46158	0.4
105.07040	1.0
106.04159	1.9
107.04964	4.5
107.08594	0.5
109.02845	0.8
109.06534	0.6
110.03660	1.7
111.04441	0.9
115.05464	6.3
117.07032	9.6
119.04904	0.7
119.08616	0.8
121.06515	2.8
123.04440	9.5
124.05228	3.5
125.05952	1.1
127.05452	1.6
130.04205	0.7
131.04964	2.6
131.08556	0.6
133.06581	0.5
134.03645	0.9
135.04402	1.1
137.02357	0.6
137.05983	2.6
138.03139	1.1
139.03911	1.0
140.04689	1.1
142.02663	1.0
143.04926	1.2
144.05649	0.5
145.02859	0.5
145.06500	13.3
147.04390	0.8
147.08052	0.7
148.05193	1.0
149.06012	3.6
151.03955	2.7
151.04941	0.6
151.07536	1.1
152.04707	2.8
153.05482	2.0
154.06264	0.5
155.06024	4.2
159.04475	0.7
160.05191	0.5
161.06004	0.7
163.03937	1.2
163.07590	0.8
165.05472	2.0
167.07057	100.0
168.07388	0.7
171.06546	1.5
173.06000	19.0
175.07565	1.3
175.14751	0.6
177.05457	4.3
179.07124	1.0
181.04977	43.0
181.08437	1.1
187.07465	0.5
189.05440	0.9
190.06224	0.6
191.07076	2.0
192.07837	0.7
193.04990	0.6
195.06538	0.9
201.05414	1.0
203.07054	3.1
205.08629	5.5
207.06528	1.1
209.08121	2.8
217.08656	0.6
219.06464	0.5
233.08093	6.2
233.11761	0.5
235.07549	0.8
235.09650	5.6
250.06154	0.8
255.10117	0.6
263.07275	0.5
265.08502	0.6
267.06668	0.5
293.08084	1.2
294.08707	0.5
295.09479	0.5
297.11209	0.9
310.08469	1.1
311.16446	1.5
313.35599	0.5
315.08575	0.7
325.10754	1.4
327.08801	0.5
342.11087	1.1
353.10226	1.1
355.11780	0.6
357.13416	5.3
385.12854	32.5
386.13586	1.6
387.14456	7.1
399.14343	0.8
417.15479	16.6
428.69254	0.5
481.22128	0.6
643.23901	41.5
644.23962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
67.05511	1.6
67.91416	0.4
68.78221	0.4
69.07069	1.2
70.04084	2.0
76.56913	0.3
79.05498	1.3
81.07059	2.8
91.05497	1.7
93.07051	1.9
95.04996	0.9
95.08622	1.6
105.07040	1.7
107.08615	1.3
109.06544	0.5
109.10184	1.2
119.08591	1.7
121.10177	1.2
123.11757	0.5
131.08594	1.0
133.10149	1.1
135.11713	1.1
143.08591	0.5
145.10159	1.2
147.11711	0.9
159.11746	1.0
177.08966	0.4
179.14365	0.6
187.21307	0.4
189.12865	0.7
190.35262	0.4
274.56143	0.4
275.20105	0.5
378.16431	0.5
537.25507	0.4
545.37952	0.7
553.29828	0.4
597.99823	0.5
625.44751	0.8
643.25299	100.0
644.25629	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	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01860	1.3
65.03941	3.7
67.01879	0.7
67.05486	2.1
69.03413	1.6
69.07034	0.7
71.55722	0.9
77.74632	0.5
78.04726	4.5
79.05488	3.2
80.20476	0.5
81.07050	1.3
82.04188	1.1
85.02933	3.3
91.05488	5.0
93.03393	0.9
93.07033	1.8
95.04972	3.2
95.08608	1.0
97.06511	1.2
103.05467	4.7
105.07020	2.8
106.04154	1.8
107.04945	5.9
107.08601	0.8
109.02878	1.1
109.06553	1.2
109.10144	0.9
110.03654	1.2
115.05460	6.5
117.07028	10.0
118.04176	0.9
119.04942	1.9
119.08574	1.5
121.02824	0.9
121.06509	3.0
121.10121	0.8
123.04432	10.7
124.05231	3.5
125.05997	1.9
127.03922	0.6
127.05423	0.9
131.04976	4.2
131.08586	0.7
132.05707	0.7
133.06514	1.9
134.03636	0.9
135.04390	0.8
135.08095	0.6
137.02370	0.9
137.05965	3.6
141.88956	0.6
142.02617	1.4
143.04922	0.9
144.05754	0.8
145.02715	0.6
145.06503	15.0
147.04436	1.4
147.08040	1.1
147.11746	0.8
148.05199	2.0
149.05995	3.1
151.03940	3.2
151.07495	1.5
152.04695	2.2
153.05464	2.0
155.06030	4.9
155.08476	0.5
159.04387	0.6
161.05995	2.2
161.09607	0.7
163.03920	1.7
163.07561	2.0
165.05510	1.8
165.09181	0.7
167.07054	100.0
168.05910	0.5
168.07417	1.5
171.06554	2.3
171.07895	0.6
172.05222	0.7
173.05995	23.2
175.03891	0.8
175.07562	2.6
177.05472	5.0
179.07014	1.2
181.04973	53.4
182.05348	0.7
187.07597	0.7
188.04745	0.6
189.09125	0.9
191.07016	5.8
192.08015	0.9
193.08606	1.0
195.06561	1.9
201.05466	1.2
203.07097	1.8
205.06703	1.1
205.08577	6.1
207.06512	1.8
209.08115	3.7
217.08621	1.2
225.07622	0.9
231.06477	0.8
233.08087	7.0
235.07484	1.0
235.09627	6.6
237.09111	0.8
247.07762	0.6
253.08839	0.7
263.06815	0.7
263.09305	0.8
265.08740	0.9
277.08566	0.7
281.08014	0.6
282.08633	0.6
293.08130	1.4
297.11292	0.8
310.08551	0.8
311.16370	1.3
323.09457	0.6
325.10715	2.1
327.08878	1.1
329.13846	0.7
329.17337	0.8
337.49734	0.8
341.10358	0.7
353.10333	1.4
355.11896	0.7
357.13290	5.4
369.13287	0.7
371.15091	0.8
385.12848	33.4
386.13663	1.2
387.14395	7.1
397.12775	1.1
399.14435	2.1
417.15436	14.8
418.98990	0.7
441.15448	0.7
463.21271	1.2
643.23877	44.4
644.24017	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	639.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56394	3.8
72.28733	2.4
123.76318	2.4
149.96033	2.9
155.06076	2.7
167.78975	2.6
168.08208	3.3
184.91350	2.7
197.10606	3.2
223.12422	3.9
224.12535	3.6
227.11818	3.0
253.13454	2.8
266.14294	2.9
314.12427	2.7
342.12186	3.5
354.16055	3.2
419.18549	3.6
428.69220	2.6
431.18372	4.3
433.17459	3.9
433.23743	6.2
434.16971	3.3
436.19669	2.8
444.19113	7.4
445.19919	4.9
449.19650	3.7
459.21793	44.1
460.22430	9.1
461.23227	7.6
470.17233	2.8
477.18826	3.1
519.23627	6.5
520.20709	4.8
531.24335	3.4
547.27148	21.8
548.27228	3.3
551.25946	3.1
561.24805	3.9
579.25714	10.5
591.25336	4.0
596.26160	4.1
597.26947	3.5
606.28400	100.0
607.25537	23.9
610.28284	3.5
611.28644	19.9
621.26929	5.4
622.28198	5.9
639.27979	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.05499	11.6
57.07068	6.2
65.03924	3.7
67.05511	20.7
69.03411	7.4
69.07061	15.3
69.91148	14.7
79.05495	25.5
80.06285	3.5
81.07052	48.0
83.04970	4.2
83.08606	10.2
91.05479	44.1
93.07044	53.8
95.04972	30.3
95.08605	31.0
97.06522	4.6
103.05435	8.0
105.07035	95.2
107.08592	45.9
109.06518	11.6
109.10167	26.8
115.05392	3.1
117.07014	22.2
119.08582	100.0
120.09406	5.4
121.06519	7.2
121.10149	42.8
122.72578	3.5
123.08067	18.3
123.11691	12.0
125.09656	4.9
128.06227	9.5
129.06981	16.2
130.07768	10.6
131.08580	50.4
132.09328	7.2
133.10143	77.8
135.08060	5.9
135.11720	23.3
137.09616	5.8
138.10411	4.4
141.06996	6.3
142.07802	18.3
143.08572	41.5
144.09335	14.2
145.10132	83.1
146.10895	4.7
147.08049	5.9
147.11700	26.6
149.09610	9.1
149.13252	4.9
151.11157	5.4
154.07748	3.7
155.08556	14.3
156.09344	15.1
157.10114	47.0
158.10863	10.0
159.08076	5.0
159.11685	40.8
161.09619	8.5
161.13255	7.7
163.11209	3.1
165.06981	4.0
167.08548	7.7
167.10773	4.8
168.09328	8.2
169.10106	20.7
170.10950	7.5
171.11670	28.4
172.12436	7.5
173.13254	20.1
175.11314	3.3
175.14850	22.0
175.37154	3.3
177.12654	4.4
179.08540	10.5
180.09364	5.2
181.10110	12.7
182.10855	7.0
183.11719	20.0
185.13312	17.3
186.14091	3.7
187.11180	4.4
187.14806	13.8
187.18619	3.1
189.12735	4.0
191.14264	7.4
192.09395	4.4
193.10115	8.0
194.10905	9.1
195.11731	16.5
196.12462	8.7
197.13251	24.3
199.14792	10.4
201.16357	7.0
205.10005	3.9
207.11751	13.0
209.13217	18.3
210.14063	4.8
211.14890	15.1
213.12846	3.8
213.16376	6.7
217.15921	4.8
221.13300	12.9
222.14037	3.0
223.14819	12.8
224.15669	4.2
225.16356	8.4
227.14372	3.8
235.14806	5.7
237.16243	7.6
247.14824	4.1
249.16441	6.3
251.17952	5.4
253.19563	3.3
261.16278	4.9
263.17883	6.4
265.19479	4.3
271.20789	5.4
295.20596	4.1
311.29367	6.7
314.22379	3.7
338.26184	16.1
349.25290	3.3
364.27744	3.4
388.08496	3.4
413.28625	3.3
430.32401	5.2
476.36252	12.3
568.42865	26.0
640.31586	8.7
640.42456	3.5
641.06641	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	638.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
54.32813	1.3
55.01868	2.4
55.05515	10.3
55.96986	1.2
57.03427	3.4
57.07073	1.4
65.03932	3.4
67.05509	35.2
69.03433	15.6
69.07076	8.8
71.04980	2.4
71.58060	2.0
72.68758	1.2
73.02911	2.1
79.05494	30.2
81.03419	20.8
81.07059	40.9
83.04996	3.0
83.08624	4.4
85.02912	9.9
85.06580	1.8
91.05483	33.6
93.07050	36.8
95.04984	8.4
95.08610	25.6
97.02904	10.0
97.06525	2.4
97.10165	2.4
99.04456	3.8
103.05457	7.1
105.07034	20.9
107.04951	3.4
107.08590	20.6
108.04452	2.1
109.02882	5.2
109.06522	3.1
109.10159	13.1
111.04448	4.7
115.05473	3.9
117.07043	13.1
119.04963	1.9
119.08578	17.4
120.05782	1.7
121.06495	17.3
121.10146	15.0
123.04370	2.6
123.08091	2.8
123.11706	4.1
127.03907	5.1
128.06236	1.6
129.07013	5.5
131.04921	2.3
131.08585	15.6
133.06490	4.9
133.10117	9.5
135.08075	9.3
135.11708	10.8
137.05960	1.8
137.13283	1.6
138.06792	2.1
141.06993	2.9
143.08572	4.8
145.06485	6.8
145.10117	12.1
147.04398	2.1
147.08029	3.0
147.11671	9.6
148.05235	2.1
149.05991	5.5
149.13255	3.9
151.03983	1.7
151.07483	1.9
155.08543	2.6
157.06538	3.0
157.10158	4.7
159.08087	5.6
159.11671	9.2
161.06042	1.7
161.09677	1.9
161.13297	6.5
163.07545	4.2
163.11252	1.6
163.14879	1.7
166.06293	9.9
167.07054	3.6
169.10204	1.9
171.08110	1.6
171.11710	3.5
173.06070	3.1
173.13277	7.0
175.11087	2.2
175.14859	2.5
177.05447	1.7
177.09200	1.6
181.08603	100.0
182.08905	1.6
183.08002	2.4
183.11691	3.7
184.07289	3.0
185.13268	2.6
187.07545	3.5
187.11356	1.6
187.14819	1.6
189.12701	1.5
191.07031	3.7
193.08594	3.4
195.10170	12.2
197.13304	2.1
199.09648	52.4
199.11433	3.4
199.14784	2.3
201.09138	2.2
201.16309	1.6
209.08142	12.6
209.23395	1.4
211.07617	2.1
211.09566	2.7
211.14903	1.6
219.10184	5.1
223.09686	38.6
229.08632	2.9
235.16670	1.4
243.21268	2.6
247.09729	4.4
247.17097	1.7
257.08090	1.9
259.20618	4.5
261.11261	9.4
261.22250	9.6
265.10718	13.6
277.21631	2.2
285.18063	1.3
289.10718	30.6
303.23053	4.0
307.11795	31.4
327.23148	2.5
351.23096	2.7
369.24237	6.2
387.25189	5.8
405.26328	5.7
423.27502	3.2
496.01648	1.9
585.33563	1.8
638.42877	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03101	0.9
53.03944	1.1
55.05509	3.9
63.29086	0.8
64.43191	0.8
65.03949	0.9
67.05505	8.9
69.03423	2.2
69.07079	6.3
71.05017	1.5
71.55953	0.9
71.56313	0.8
75.78410	0.9
79.05500	8.9
81.03413	3.3
81.07062	16.6
82.06384	0.9
83.04977	1.4
83.08605	2.5
85.02914	1.3
91.05496	9.8
93.07040	10.8
95.04990	1.4
95.08607	20.3
95.92736	0.9
97.02909	1.6
97.06567	1.2
99.08100	2.8
105.07042	17.6
107.08599	15.3
109.10174	4.3
113.09672	1.0
117.07024	3.7
119.08587	50.4
121.10131	4.5
121.36292	1.0
123.11716	4.3
129.06996	1.6
131.08577	4.0
133.10139	63.4
135.11717	12.9
141.06914	1.3
145.10130	3.6
147.11711	5.3
149.13281	1.5
155.08597	1.1
157.10118	1.4
159.11691	3.7
160.12401	1.0
161.13275	1.4
169.10048	1.3
169.81883	0.9
173.09689	1.3
173.13271	1.9
175.14839	100.0
187.14799	1.2
193.15865	7.9
195.11873	0.9
196.32375	0.9
199.14726	1.4
209.13408	1.2
211.16978	3.4
233.48659	0.9
387.25778	1.0
405.26453	1.3
417.44012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05307	1.0
55.05512	10.6
57.07061	2.4
65.03890	1.1
67.05507	13.3
69.03411	3.8
69.06717	1.8
69.07066	16.8
70.82727	3.2
71.04984	3.1
79.05499	11.7
81.03446	3.0
81.07062	26.7
83.08624	8.2
85.02907	1.9
85.06537	3.7
91.05482	11.9
93.07046	22.9
95.05008	2.2
95.08056	2.4
95.08615	34.5
96.08926	1.6
97.10147	5.7
99.04440	2.0
99.08097	25.1
105.07038	13.0
107.08598	39.8
109.06553	2.6
109.10158	12.9
111.04492	1.4
111.08101	6.9
113.09622	1.6
117.07010	4.1
119.08573	8.7
121.06551	2.1
121.10144	56.8
123.08077	2.9
123.11670	3.4
125.09588	4.2
129.06969	1.6
131.08569	5.1
133.10149	7.4
135.11697	15.6
137.13271	7.6
139.11243	1.6
143.08539	4.2
145.10124	4.9
147.11693	4.2
149.13280	6.9
157.10120	3.1
159.11711	4.3
161.13245	1.9
163.11159	1.3
163.14772	1.9
163.22867	1.3
169.10144	1.7
173.13316	2.7
175.14813	2.1
177.16397	100.0
182.85522	1.3
185.13248	1.4
189.16464	1.2
195.17461	20.2
213.16457	3.1
213.18500	49.1
261.22101	1.5
269.18921	1.3
273.22006	1.6
285.18585	1.7
285.22079	1.8
303.23041	1.9
351.22952	1.8
377.73886	1.3
405.26306	2.3
635.42175	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	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46874	0.7
53.03961	0.8
55.05507	1.7
57.07077	0.9
67.05495	2.2
67.08502	0.8
69.03403	1.3
69.07057	2.8
70.06581	0.8
71.57547	1.2
73.36752	0.7
74.76075	0.7
79.05495	2.5
81.03428	1.4
81.07062	3.2
83.05002	1.3
85.02898	1.2
91.05485	3.4
93.07040	3.5
94.06573	1.6
95.04978	1.2
95.08605	3.1
97.06549	0.8
99.04508	0.9
105.07046	3.4
107.08592	3.1
108.08165	1.1
109.02882	0.8
109.06511	1.0
109.10117	2.4
111.04434	0.9
111.13351	0.7
113.12160	0.7
119.08584	1.7
121.06489	0.9
121.10131	2.2
122.06033	3.2
123.04400	1.6
123.11716	1.4
124.07579	0.8
127.03905	0.9
133.10117	1.9
134.27225	0.7
135.11728	0.9
136.07582	10.3
137.05998	0.9
137.09633	1.3
139.03922	8.4
140.07082	5.7
146.05981	6.1
146.09650	1.0
147.04404	2.0
147.11696	1.3
148.07584	5.0
149.13243	1.1
151.07680	1.0
152.07080	2.9
153.05560	0.9
157.10106	1.1
159.07962	0.8
159.11739	1.2
161.09575	1.0
163.03891	1.6
163.07390	0.8
163.11240	0.8
164.07086	10.4
165.09111	1.2
166.08678	3.2
167.07123	1.0
168.70674	0.8
172.03969	1.9
174.05528	2.5
176.07077	18.5
176.08534	1.7
178.08607	2.3
181.04922	1.8
190.05019	2.1
195.13780	0.9
204.06473	1.3
207.06511	1.1
210.11572	1.0
211.12300	1.6
221.10794	1.7
222.11711	1.1
223.12498	1.3
224.09288	0.9
224.13116	0.7
225.10294	2.1
227.11870	1.5
235.12323	2.2
236.13100	1.6
237.10118	5.4
237.13763	1.2
238.11015	10.8
239.11765	8.8
248.09343	1.1
249.10196	1.8
250.11049	1.8
251.11821	7.3
252.12508	2.0
253.09335	0.9
253.13367	3.0
263.07376	1.3
263.11807	4.1
264.08954	1.4
264.12582	1.0
265.09714	3.0
265.13382	10.1
266.10425	1.8
266.13681	0.9
267.11255	4.2
269.12909	1.2
271.14383	5.3
275.11649	1.4
277.09903	1.6
277.13379	2.9
278.10562	3.6
279.11292	100.0
280.12051	7.7
281.12726	2.4
283.11002	1.6
283.14468	1.6
285.12396	1.4
287.13846	4.9
291.11102	2.0
293.08029	1.0
293.12930	3.9
295.10748	1.5
295.14447	1.7
296.11664	3.1
297.12357	45.2
298.13086	5.4
299.13852	1.1
307.10651	0.9
309.12357	14.4
310.13071	7.2
311.13846	4.5
313.11816	2.8
319.10583	1.0
321.12363	12.5
323.10190	1.3
324.11026	1.6
325.12018	4.3
326.12579	0.8
331.12872	1.4
337.11835	27.0
338.12561	9.0
339.13400	79.0
340.13879	3.2
369.14423	2.8
371.16052	14.2
372.16980	1.0
392.19742	0.8
399.32663	1.3
400.16403	2.6
401.17365	1.2
417.33652	1.7
418.17288	1.3
438.20383	3.7
442.17627	3.7
460.18707	36.0
461.19403	2.2
462.20078	0.9
464.18295	1.4
466.19592	1.3
478.13202	1.6
478.19748	28.0
479.20328	3.4
480.21027	5.7
492.21722	1.0
496.20599	1.1
510.22379	4.4
583.25360	2.7
601.26599	84.4
602.26343	2.8
633.28339	2.5
633.37775	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2727
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
63.63458	0.7
71.56741	1.4
84.34821	0.8
89.06036	1.9
115.95673	0.8
133.08612	1.6
168.42784	0.7
177.11209	0.8
247.85179	0.9
629.27368	100.0
630.27606	5.8
650.80200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95586	1.2
53.03959	2.6
55.01867	1.9
55.05505	5.1
57.07081	2.4
63.26810	1.4
67.05502	15.1
69.03437	7.7
69.07072	5.2
69.49128	10.2
69.94524	1.3
71.04988	6.0
74.31880	1.3
74.48016	1.7
79.05504	12.6
79.34012	1.4
81.03421	6.1
81.07060	18.2
83.04974	3.5
83.08618	5.4
85.02892	3.4
85.06536	3.6
85.07646	2.5
91.05491	13.4
93.07048	14.2
95.04948	7.7
95.08614	14.2
97.06535	3.0
105.07049	15.2
107.08600	19.6
109.06532	100.0
109.09463	2.2
109.10171	25.3
111.04422	1.6
111.08086	5.1
115.12048	1.4
117.07024	4.7
119.08585	9.9
121.06507	2.3
121.10146	17.6
123.08072	12.3
123.11723	2.2
124.97204	1.5
125.09615	2.1
129.06996	3.0
131.08568	16.5
133.10136	17.1
135.07109	2.5
135.08075	38.8
135.11723	4.2
137.06030	1.3
137.09630	1.8
139.11160	1.4
143.08566	3.9
145.10104	7.0
146.08099	2.4
147.11711	6.3
149.09608	5.7
149.13278	6.8
151.11186	12.5
153.09111	3.4
157.10114	2.0
158.10983	2.5
159.11667	4.1
161.13272	2.3
163.14891	2.8
167.10458	1.6
169.10204	1.5
171.11681	2.1
173.11913	2.6
173.13263	22.5
175.11238	1.4
177.16336	1.6
191.14328	65.8
191.16074	3.4
195.11824	1.8
209.15399	35.6
218.58568	1.5
243.21202	1.6
261.22223	1.8
369.24405	2.2
387.24799	2.1
613.39911	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46874	0.7
53.03961	0.8
55.05507	1.7
57.07077	0.9
67.05495	2.2
67.08502	0.8
69.03403	1.3
69.07057	2.8
70.06581	0.8
71.57547	1.2
73.36752	0.7
74.76075	0.7
79.05495	2.5
81.03428	1.4
81.07062	3.2
83.05002	1.3
85.02898	1.2
91.05485	3.4
93.07040	3.5
94.06573	1.6
95.04978	1.2
95.08605	3.1
97.06549	0.8
99.04508	0.9
105.07046	3.4
107.08592	3.1
108.08165	1.1
109.02882	0.8
109.06511	1.0
109.10117	2.4
111.04434	0.9
111.13351	0.7
113.12160	0.7
119.08584	1.7
121.06489	0.9
121.10131	2.2
122.06033	3.2
123.04400	1.6
123.11716	1.4
124.07579	0.8
127.03905	0.9
133.10117	1.9
134.27225	0.7
135.11728	0.9
136.07582	10.3
137.05998	0.9
137.09633	1.3
139.03922	8.4
140.07082	5.7
146.05981	6.1
146.09650	1.0
147.04404	2.0
147.11696	1.3
148.07584	5.0
149.13243	1.1
151.07680	1.0
152.07080	2.9
153.05560	0.9
157.10106	1.1
159.07962	0.8
159.11739	1.2
161.09575	1.0
163.03891	1.6
163.07390	0.8
163.11240	0.8
164.07086	10.4
165.09111	1.2
166.08678	3.2
167.07123	1.0
168.70674	0.8
172.03969	1.9
174.05528	2.5
176.07077	18.5
176.08534	1.7
178.08607	2.3
181.04922	1.8
190.05019	2.1
195.13780	0.9
204.06473	1.3
207.06511	1.1
210.11572	1.0
211.12300	1.6
221.10794	1.7
222.11711	1.1
223.12498	1.3
224.09288	0.9
224.13116	0.7
225.10294	2.1
227.11870	1.5
235.12323	2.2
236.13100	1.6
237.10118	5.4
237.13763	1.2
238.11015	10.8
239.11765	8.8
248.09343	1.1
249.10196	1.8
250.11049	1.8
251.11821	7.3
252.12508	2.0
253.09335	0.9
253.13367	3.0
263.07376	1.3
263.11807	4.1
264.08954	1.4
264.12582	1.0
265.09714	3.0
265.13382	10.1
266.10425	1.8
266.13681	0.9
267.11255	4.2
269.12909	1.2
271.14383	5.3
275.11649	1.4
277.09903	1.6
277.13379	2.9
278.10562	3.6
279.11292	100.0
280.12051	7.7
281.12726	2.4
283.11002	1.6
283.14468	1.6
285.12396	1.4
287.13846	4.9
291.11102	2.0
293.08029	1.0
293.12930	3.9
295.10748	1.5
295.14447	1.7
296.11664	3.1
297.12357	45.2
298.13086	5.4
299.13852	1.1
307.10651	0.9
309.12357	14.4
310.13071	7.2
311.13846	4.5
313.11816	2.8
319.10583	1.0
321.12363	12.5
323.10190	1.3
324.11026	1.6
325.12018	4.3
326.12579	0.8
331.12872	1.4
337.11835	27.0
338.12561	9.0
339.13400	79.0
340.13879	3.2
369.14423	2.8
371.16052	14.2
372.16980	1.0
392.19742	0.8
399.32663	1.3
400.16403	2.6
401.17365	1.2
417.33652	1.7
418.17288	1.3
438.20383	3.7
442.17627	3.7
460.18707	36.0
461.19403	2.2
462.20078	0.9
464.18295	1.4
466.19592	1.3
478.13202	1.6
478.19748	28.0
479.20328	3.4
480.21027	5.7
492.21722	1.0
496.20599	1.1
510.22379	4.4
583.25360	2.7
601.26599	84.4
602.26343	2.8
633.28339	2.5
633.37775	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2249
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
69.35073	4.9
79.05455	0.8
81.07047	1.0
82.16464	0.6
91.05449	0.8
93.07036	0.9
93.92329	0.5
95.08530	0.6
96.58177	0.5
98.20770	0.9
105.06963	1.1
105.89281	0.5
122.83789	0.6
125.58114	0.6
155.08527	0.7
160.45422	0.5
181.06168	0.5
181.18619	0.5
198.30295	0.5
206.52570	0.6
396.12115	1.3
397.13156	1.9
398.14023	1.6
399.14667	1.2
400.15747	1.2
409.13336	0.8
410.13672	3.4
411.14499	6.6
412.15570	4.9
413.16296	4.6
414.16782	0.8
423.14606	1.8
424.15735	2.7
425.16360	14.0
426.16956	8.4
427.17776	2.7
428.18799	3.6
429.19397	0.7
437.16431	1.0
438.13199	2.8
439.13718	20.1
440.13583	1.0
440.19193	7.3
441.19318	34.7
442.19562	1.9
452.14478	3.8
453.15417	20.3
454.15945	5.3
456.18005	0.8
463.14127	0.9
466.16754	0.7
467.17218	26.4
468.17984	18.2
469.18814	10.4
471.16721	1.8
478.16907	0.7
480.17819	0.7
481.14713	9.0
482.15741	1.7
484.21091	2.4
485.18463	2.3
495.16989	2.2
496.17270	11.0
497.18277	2.0
498.18707	1.6
499.20126	1.3
500.20789	3.1
509.18573	1.4
512.20673	2.1
513.22235	4.0
514.22369	1.3
523.19928	1.4
525.21222	1.2
526.18231	0.9
531.22137	0.8
541.20959	40.7
542.21271	1.6
569.20367	100.0
570.20563	3.7
572.19745	0.7
573.23694	2.9
597.19800	26.3
598.19904	0.9
600.21875	1.3
601.23053	12.4
602.23291	0.8
615.21069	1.1
629.22443	58.3
630.22711	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57751	1.9
53.03942	6.9
55.01878	14.4
55.05517	36.2
57.03436	18.1
57.07080	4.3
61.86124	1.7
65.03947	5.2
67.05508	78.3
69.03436	2.3
69.07071	32.7
71.05006	7.1
71.56522	2.1
77.03952	2.0
79.05497	58.3
81.03413	2.7
81.07065	72.4
83.04994	6.7
83.08627	18.8
85.06561	6.1
91.05485	59.2
93.07057	54.3
95.04961	12.5
95.08616	54.6
97.06538	14.6
97.10190	14.7
99.08124	5.8
103.05452	3.4
105.07037	61.8
107.04979	7.0
107.08598	40.5
109.06548	11.4
109.10162	32.4
111.08112	6.5
115.05502	6.7
117.07011	26.7
119.08591	51.3
119.09442	2.3
121.06492	5.0
121.10153	26.5
123.08085	6.6
123.11732	6.8
125.09631	10.5
128.06235	9.9
129.07019	32.9
129.07903	3.0
131.08574	41.1
133.10139	31.5
135.08090	6.3
135.11697	12.5
137.09669	2.7
139.11226	2.4
141.06987	13.8
142.07832	5.9
143.08575	39.2
145.06534	2.3
145.10126	37.0
147.08087	5.5
147.11693	15.5
149.09650	5.4
149.13312	8.2
151.11211	4.3
153.07077	4.1
154.07863	3.9
155.08562	28.4
156.09457	3.8
157.10136	31.0
159.08083	5.0
159.11731	26.1
161.09680	3.6
161.13264	13.9
163.11241	4.3
163.14850	3.7
165.07018	5.0
166.07890	2.7
167.08542	14.2
168.09370	4.7
169.10133	28.8
171.08234	2.7
171.11696	22.9
173.09686	3.6
173.13243	13.1
175.11211	2.9
175.14897	6.5
177.12857	2.6
179.08588	7.5
179.14235	3.3
180.09467	2.5
181.10162	17.3
182.10947	4.5
183.11699	27.3
183.13214	2.7
185.11783	2.9
185.13293	18.1
187.14877	9.1
189.11247	4.8
189.12816	4.4
189.16434	2.0
191.14560	2.4
193.10231	6.2
194.10886	2.5
195.11743	20.2
197.13307	21.4
199.11278	4.2
199.14822	12.7
201.12831	4.3
201.16444	4.9
205.15971	3.6
207.11777	7.6
208.12447	2.7
209.13283	18.0
211.14743	11.1
213.16521	9.2
215.18008	3.5
219.11697	2.2
221.13382	9.0
223.14874	9.4
225.16507	8.4
227.12831	3.5
227.18069	4.1
229.16026	2.3
229.19624	3.3
233.13304	4.8
235.14868	5.0
237.16496	7.5
239.17960	5.4
241.19670	5.6
245.19135	2.3
247.14896	2.6
249.16579	4.1
251.18083	3.1
253.19855	4.0
255.17543	3.2
255.21280	3.2
257.19113	3.1
259.20688	7.4
263.17908	2.8
267.20953	3.1
273.18707	4.4
275.20132	14.9
277.19577	3.2
281.19034	2.3
291.19601	2.4
309.22281	3.9
313.21783	2.2
323.23947	2.7
333.24481	4.5
337.25366	3.8
347.22372	2.7
349.24304	6.1
365.28723	4.6
379.30231	2.5
381.31717	3.6
421.31158	4.7
439.32227	2.7
445.30948	2.8
461.34616	3.8
495.34732	2.1
513.35980	8.4
515.38904	16.8
527.37811	2.4
533.40314	12.1
539.37506	4.1
551.41119	6.3
553.38477	10.7
567.40613	3.0
589.42920	3.4
607.43677	68.5
625.44812	100.0
626.45282	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01871	0.6
55.05531	0.4
65.03934	1.0
67.05494	0.4
67.53060	0.2
68.99792	1.4
69.03421	0.5
71.07481	0.5
75.93730	0.2
81.03448	0.2
83.04980	0.8
85.02909	0.6
93.03405	0.8
95.04984	0.3
96.98610	0.2
97.02885	0.8
98.97626	0.3
109.02885	0.3
111.04446	4.1
121.02895	0.4
123.04438	1.9
127.03945	0.4
131.04935	0.3
135.04491	0.4
139.03909	100.0
140.04236	0.9
147.04440	0.5
151.03903	3.0
153.05438	0.3
161.06058	0.5
163.03925	5.5
165.05548	0.4
167.07016	0.6
169.04994	0.5
171.04398	0.6
173.06052	0.3
176.04594	0.3
177.05505	0.9
179.03403	0.9
181.04953	0.9
183.04404	0.4
187.03923	0.4
189.05550	1.2
191.03401	0.3
191.07027	0.3
199.04002	0.5
201.05493	0.6
203.03372	0.7
205.04936	0.5
213.05534	0.8
215.03484	0.6
217.04926	1.3
227.03407	0.6
229.04996	1.0
233.04453	0.6
241.05017	0.7
245.04590	1.1
255.03081	0.4
257.04407	1.3
259.06122	0.5
269.04541	0.5
271.06097	0.4
273.04022	0.9
281.04425	0.3
285.04016	1.0
287.05496	0.4
295.06076	0.4
319.05875	0.3
321.03955	0.4
331.05997	0.4
349.07330	0.3
351.08667	0.3
367.08224	0.5
377.06601	0.5
385.09195	0.4
387.04352	0.3
391.08163	0.3
393.06204	1.0
395.07520	0.8
405.06113	1.1
407.07718	0.8
408.11765	0.3
411.07584	0.3
413.08673	1.0
423.07220	1.4
435.06873	0.5
441.08249	1.0
453.08374	0.4
465.08157	1.5
483.09296	0.3
527.10132	0.3
545.10651	0.4
555.09375	0.3
573.10254	2.1
591.11212	1.5
627.12695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2548
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02385	1.0
53.03946	3.1
55.05511	0.6
65.03950	0.8
67.05508	1.3
69.03422	0.9
69.07057	0.9
70.90491	0.9
71.04978	0.7
79.05490	1.1
81.03396	1.9
81.07043	2.0
85.02856	0.8
91.05485	14.1
93.06469	1.2
93.07043	17.3
95.04975	4.7
96.69474	0.6
100.55595	0.6
103.05466	12.0
104.49590	0.6
105.04502	1.4
105.07004	2.4
107.04963	1.3
107.08581	0.9
109.02952	0.7
109.06504	0.7
109.10179	1.0
117.03383	0.7
117.07015	0.9
117.43723	0.7
119.04921	1.4
119.08578	1.2
121.06513	100.0
123.04419	1.1
125.06033	0.7
127.03858	0.6
131.04887	1.4
131.08582	0.9
133.06465	0.7
133.10136	0.9
135.04463	0.9
137.05927	0.9
141.03346	3.0
146.05989	1.0
147.04405	1.0
147.11758	0.6
149.05978	1.6
153.05560	1.0
164.07120	5.7
165.05498	1.1
167.07071	2.2
173.05945	1.4
173.13353	0.7
175.07603	0.8
177.05449	1.7
179.07021	0.9
181.05023	3.2
191.07024	7.8
191.08566	0.9
201.05399	82.5
205.06477	2.7
207.06361	0.9
207.08119	1.1
211.07509	1.3
219.08046	2.7
220.05168	3.9
221.05992	1.7
222.06752	2.2
233.06030	2.0
234.06744	3.3
235.07532	10.1
237.05508	1.5
237.09106	12.5
239.07050	1.9
244.06099	2.7
247.07538	3.2
248.04672	4.0
249.05463	3.6
250.06375	3.7
251.06908	0.8
263.07028	16.5
264.07770	1.4
265.05096	2.7
265.08621	28.5
266.09045	1.4
267.06577	2.2
276.04123	1.4
277.05630	0.6
279.10291	0.9
280.07318	5.7
282.08871	38.9
283.09344	0.8
290.73624	0.6
291.06503	19.7
292.07159	0.8
297.11224	18.7
308.06699	2.1
311.16342	0.9
313.10684	2.8
317.06577	1.7
323.09149	53.1
324.09445	1.5
364.11813	19.6
398.13306	0.7
399.14410	2.1
416.14420	1.2
460.17578	65.2
461.17847	1.8
488.17093	82.1
489.17365	2.5
625.22961	1.4
625.35303	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1763
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
52.04851	0.4
53.03939	0.7
57.03432	1.9
60.97351	0.4
61.02926	0.8
64.87897	0.4
69.03422	2.0
69.98067	1.9
71.05000	11.7
81.03416	0.7
83.04988	0.6
85.02912	17.1
92.02634	0.8
93.03407	0.7
97.02911	1.4
98.21523	0.5
101.55779	0.5
117.90607	0.5
121.02872	0.5
127.03934	1.0
129.05489	2.9
137.35635	0.5
139.03922	0.8
145.04997	0.7
147.06502	0.8
151.03923	0.8
153.01834	7.2
165.01816	0.6
175.01376	0.4
201.05469	0.7
217.05037	0.5
226.90623	0.4
228.04163	1.2
229.04967	2.9
245.04570	0.7
246.05283	2.1
257.04471	2.7
273.04004	1.4
274.04758	4.0
285.03986	5.1
302.04233	12.1
317.06583	100.0
318.06998	1.7
386.41550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
58.06576	0.5
69.03086	0.5
69.03428	8.2
71.57641	0.5
71.58014	0.5
79.05499	0.6
85.02913	6.7
87.04485	3.2
91.05458	1.1
94.45538	0.5
97.02898	3.8
98.06776	0.4
115.03905	1.5
115.05434	2.1
119.04928	1.4
122.03656	0.9
123.04430	0.7
133.04944	0.7
137.05984	17.6
139.03894	4.9
143.04938	9.9
148.07545	0.8
149.05923	0.7
149.08302	0.7
151.03922	0.6
151.07596	2.8
160.05202	0.9
163.03821	0.8
175.07547	10.2
177.07866	16.6
178.08598	0.6
192.10201	100.0
193.10559	1.1
195.08119	0.9
207.08099	1.4
207.68735	0.4
223.07587	0.6
224.08405	0.5
227.10593	0.9
235.07561	1.0
239.10701	1.6
253.08546	0.5
255.10258	0.5
266.52579	0.4
267.10220	1.0
275.80884	0.4
287.12833	0.5
299.12799	4.3
328.15451	0.7
330.16998	17.9
371.74103	0.4
486.04880	0.6
492.22287	6.1
533.41034	0.5
624.26538	66.1
625.27112	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1767
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
57.03426	2.8
61.02942	1.9
62.37455	1.2
66.60065	1.2
67.05491	1.5
69.03452	1.3
69.69836	5.7
71.09580	1.1
81.03423	2.2
85.02904	7.9
91.05489	1.6
93.03416	2.0
97.02869	1.9
98.21471	2.2
103.03950	2.0
107.04934	2.4
109.02882	1.5
111.04442	1.6
119.04913	1.4
121.02883	1.9
127.03893	1.4
135.04427	2.4
137.02348	7.9
139.03957	2.3
147.04468	1.9
149.05995	9.4
151.03923	27.5
151.05060	2.0
161.02345	2.7
163.03990	1.7
165.01834	1.3
173.02293	1.5
175.03882	5.3
177.01787	2.8
177.05585	1.3
179.03365	2.6
187.03906	1.5
189.01865	7.5
191.03290	6.1
195.02896	5.4
201.01903	1.4
203.03418	8.0
207.02893	7.6
215.03433	2.0
217.04970	4.1
219.02982	7.8
225.03947	1.6
229.04968	3.5
231.02759	1.9
233.04370	4.3
245.04559	1.2
247.06006	1.6
253.05092	1.3
255.02875	4.0
257.04462	1.8
267.06464	1.6
269.04477	1.5
271.06003	1.9
273.03979	2.4
279.26767	1.3
281.04355	1.3
283.06100	2.0
283.09583	1.3
285.03833	2.4
294.05414	2.0
295.06006	3.1
296.06839	2.5
297.07559	3.3
298.04874	2.0
298.08347	4.6
301.07001	1.6
308.06882	2.8
309.03925	3.0
309.07504	4.6
310.04739	9.8
310.08041	2.1
311.05368	3.6
311.09079	5.3
312.06238	5.7
313.07074	6.7
314.07645	1.9
317.06552	2.3
322.04718	9.1
322.08167	2.2
323.05414	4.6
323.09009	2.4
324.06259	24.0
325.07059	75.5
326.07718	5.6
327.08585	6.6
334.04666	2.5
335.09030	2.2
336.06262	9.5
337.07077	48.7
337.11066	3.1
338.07843	14.0
339.08661	13.0
340.05756	5.6
343.08099	4.4
347.09033	1.4
348.06143	3.3
348.09961	1.7
349.06985	5.2
350.07767	5.8
351.04971	1.4
351.08627	25.1
352.05936	7.8
352.09470	8.1
353.06342	2.8
353.10187	3.5
355.08139	100.0
356.08447	2.6
361.06973	1.6
362.07745	4.3
363.08640	7.2
364.09497	2.2
365.06537	2.0
365.10309	15.3
366.07373	7.7
367.08118	64.9
369.09503	3.1
375.08649	3.1
377.06168	1.7
377.10287	10.6
379.08115	31.4
380.08917	3.0
381.04916	1.6
381.09702	22.1
385.09140	23.9
387.08633	2.5
390.07486	3.6
391.08038	17.0
391.12366	2.4
393.09604	8.0
395.11523	11.8
397.09042	4.3
403.08069	5.8
405.09717	9.4
409.09183	62.1
415.08115	3.7
418.06763	3.7
419.11240	3.5
421.09177	28.0
423.10849	2.0
431.11313	2.5
433.09131	24.1
435.10678	1.8
439.10287	48.9
443.11710	1.8
445.09125	5.2
447.10629	2.5
451.10233	27.1
457.11359	42.0
458.11981	1.8
463.10101	2.2
469.11346	37.1
475.10739	6.1
479.13324	1.3
487.12393	94.7
488.12436	2.4
493.11087	5.5
499.10068	1.7
505.13263	18.5
511.12399	27.4
512.12939	1.7
517.11096	4.1
523.12097	3.5
529.13434	19.0
535.12378	8.4
541.13422	23.9
553.13513	22.6
559.14294	8.6
571.14380	28.8
589.15454	24.7
597.15485	1.7
607.16321	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	623.2849
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
54.17997	0.6
98.21539	1.5
167.59169	0.7
182.08434	0.6
197.10628	1.1
207.09238	0.9
209.10817	1.1
223.12369	0.8
225.10344	0.8
237.10333	0.9
237.13916	1.3
247.12419	0.8
249.10060	0.8
306.67844	0.7
354.86896	0.9
357.76724	0.7
368.74268	0.7
377.18109	0.9
389.17914	0.8
403.15350	0.9
404.15817	1.1
405.21121	1.4
406.21747	0.7
418.17731	1.3
419.18570	2.4
420.19165	1.2
421.24161	1.1
432.19354	2.0
433.16403	2.1
434.20709	1.4
435.22137	1.7
446.16803	1.9
447.17490	5.8
448.18756	3.5
449.24045	1.0
461.19424	4.1
462.20322	4.9
463.21225	7.4
475.21399	4.4
476.21838	9.6
477.22656	10.0
478.23361	3.1
490.23364	0.9
503.24515	0.9
521.22742	1.1
535.23773	4.5
536.24146	3.2
545.25439	1.0
547.27240	2.7
548.23828	1.6
549.24841	4.6
550.25519	2.0
563.26447	14.9
564.26825	5.5
579.30115	1.1
581.27393	1.1
591.25897	8.8
594.24530	3.8
595.28992	3.9
605.27704	2.7
608.26306	2.8
623.28516	100.0
624.28735	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	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01871	3.7
55.05519	17.8
57.03439	8.6
61.02932	25.2
65.03941	2.4
65.12197	1.3
67.05510	33.9
68.58134	1.4
69.03439	8.4
69.07074	13.8
70.22306	4.9
71.05020	3.1
73.02904	6.6
79.05057	2.7
79.05500	34.5
81.03419	5.1
81.07063	36.9
82.18966	1.4
83.04980	3.9
83.08624	13.6
84.89482	1.3
85.02499	1.9
85.02914	20.7
85.06574	2.2
87.59077	1.4
91.03962	11.3
91.05486	43.5
93.07054	29.4
95.04971	5.1
95.08616	24.2
97.02900	14.8
97.06520	5.4
97.10178	3.4
103.05437	2.5
105.06384	2.5
105.07041	33.4
107.04942	5.5
107.08616	13.0
109.02922	1.5
109.06539	5.1
109.10157	8.1
111.08089	4.5
115.05446	5.8
117.07027	30.0
119.04987	2.0
119.08595	16.2
121.06499	5.2
121.10164	9.9
123.04413	1.8
123.08074	3.8
125.09671	3.5
127.03929	3.1
128.06239	9.1
129.07014	37.2
130.07851	1.7
131.04916	2.9
131.08585	40.0
133.06497	5.3
133.10121	12.8
135.08031	5.0
135.11685	5.6
141.07002	15.4
142.07802	3.6
143.08568	30.6
145.06538	8.6
145.10120	16.8
147.08061	7.2
147.11702	5.3
149.09639	4.7
153.07008	1.8
154.07799	2.7
155.08543	22.1
156.09503	1.5
157.06522	3.6
157.10132	17.4
159.08081	5.3
159.11717	13.9
161.09654	3.0
163.11159	3.3
165.06999	3.6
166.07805	2.4
167.08556	10.9
169.10161	18.7
171.08099	3.0
171.11696	9.9
173.09607	3.4
173.13280	4.0
175.11221	4.3
177.12752	4.4
178.07915	1.7
179.08568	6.3
179.18272	1.6
180.09348	2.0
181.10141	11.0
182.10896	2.0
183.11746	10.4
185.09615	3.7
185.13271	8.3
187.11281	2.5
187.14861	3.0
189.12825	2.6
191.08662	1.7
193.10139	6.3
195.11711	13.0
195.13319	2.1
197.09625	2.6
197.13263	7.3
199.11192	2.9
199.14856	4.2
201.12747	3.6
203.14360	2.5
205.10307	1.8
205.12199	2.0
207.11671	6.7
209.09607	1.8
209.13206	5.6
211.11188	2.9
211.14857	5.2
213.12758	3.3
215.14381	4.4
221.13226	9.7
223.14899	8.3
225.12701	3.0
225.16435	3.6
227.14359	2.2
229.12283	1.6
229.70993	1.6
233.13251	3.6
235.14896	7.5
239.14366	4.8
241.15935	3.7
253.15785	4.1
257.15323	3.5
259.16956	2.6
267.17459	2.5
269.15399	2.0
271.16885	4.5
285.18387	2.9
289.17917	1.9
305.22519	2.0
315.21005	2.8
323.23804	6.9
333.22198	17.1
341.24744	7.0
351.23257	45.8
369.24280	35.6
370.14041	1.5
387.25278	15.2
418.61996	1.7
425.27036	10.3
433.29294	2.5
443.27963	100.0
444.28500	2.3
461.29028	59.3
623.72491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11141	0.6
52.57546	0.6
55.01626	1.0
55.01878	17.9
55.62072	0.7
56.05016	0.6
69.03434	2.3
70.94780	1.4
74.00668	1.9
76.04008	1.0
79.05419	0.7
81.03387	0.7
83.06109	3.6
84.03990	1.3
84.04510	25.9
85.02901	6.9
95.92028	0.6
97.02924	1.9
99.02656	1.1
109.02876	0.7
112.03224	1.3
112.03979	22.1
127.02171	6.2
127.03912	0.9
129.06610	9.0
129.07529	1.2
130.05016	100.0
139.02098	1.7
147.02646	16.2
149.00578	2.1
151.03905	1.2
152.04733	5.4
155.01627	21.2
163.02165	1.2
165.03662	0.7
167.01649	9.0
168.02402	2.5
175.02133	18.5
185.02681	14.6
193.03207	86.0
194.03494	1.2
203.01636	1.0
211.04274	18.4
211.07280	1.0
221.02771	1.9
228.06866	5.0
234.05933	0.7
238.05345	1.4
296.05862	13.8
297.06274	0.9
314.06943	21.4
322.07474	0.7
331.09598	79.7
332.09967	1.8
367.09604	0.7
385.10703	13.0
397.10764	1.2
441.09915	0.9
442.12622	0.9
443.11215	1.5
460.13873	48.3
461.14114	1.1
493.14935	1.1
547.16187	0.9
622.18915	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.0
55.01874	19.0
55.05515	8.7
57.03443	7.9
57.07045	1.7
61.02927	3.7
65.03957	2.0
66.40080	1.4
67.05511	52.4
68.88885	1.3
69.03435	42.0
69.03808	2.3
69.07070	10.2
70.76827	3.3
70.77163	1.6
71.04997	16.6
73.02928	10.4
79.05056	3.0
79.05495	38.9
81.03423	44.7
81.07063	56.3
83.04974	3.4
83.08619	4.1
85.02916	20.5
87.04494	2.2
91.05493	21.1
93.06466	2.9
93.07050	40.8
95.04958	4.0
95.08615	40.1
97.02897	41.3
97.06531	2.2
97.10187	2.5
99.04460	70.0
101.02389	3.9
105.07039	16.3
107.08601	17.7
109.02888	40.4
109.09479	1.5
109.10172	22.6
111.04454	9.9
111.08109	2.0
115.03960	1.4
117.07041	7.3
119.08595	13.2
121.10151	20.4
123.08062	2.7
123.11720	11.5
125.09624	1.8
127.03924	100.0
127.49046	1.4
129.05476	2.2
131.08575	12.7
133.09274	1.6
133.10123	9.6
135.11694	11.5
137.05948	1.9
137.13272	3.8
142.66322	1.3
145.04974	17.8
145.10141	9.0
147.08057	1.8
147.11687	7.9
149.13290	9.0
157.10074	1.6
159.11691	8.4
161.13275	5.9
163.14824	4.6
173.13264	7.5
175.14879	2.5
185.13219	2.6
187.14857	2.3
241.19569	2.4
243.21118	4.9
259.20572	6.5
261.22162	22.4
277.21637	10.5
279.23257	4.0
305.46100	1.7
315.22974	1.8
329.88364	1.8
352.56314	1.6
357.24161	4.1
369.24188	8.3
387.25204	4.9
405.26389	7.3
423.27411	39.6
620.37805	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.21069	0.7
96.13605	0.3
100.32443	0.4
102.23313	0.3
104.72018	0.4
123.04098	0.3
127.92867	0.3
182.87186	0.4
195.09071	0.3
198.42699	0.3
374.15665	0.6
375.16092	1.0
376.17548	0.7
387.16205	0.8
388.16864	1.3
389.17709	3.6
390.18430	1.3
391.19342	1.1
401.17886	0.8
402.14243	0.3
402.18756	2.4
403.14716	0.6
403.19568	4.8
404.20050	2.6
405.20929	2.4
406.20837	0.4
407.21780	0.5
415.19424	1.1
416.16440	1.4
416.20908	0.7
417.17108	3.5
417.21048	3.1
418.17471	0.8
418.22287	0.7
419.22458	7.4
420.23077	0.7
429.16550	0.8
430.18066	1.5
431.18158	6.3
432.19144	3.5
433.20013	3.2
433.50485	0.4
443.18503	0.9
444.19827	0.8
445.20059	6.4
446.21027	7.2
447.21884	9.5
448.22568	0.6
450.33539	0.4
459.17270	1.1
459.22025	2.0
460.18494	0.8
461.19781	1.5
463.20862	0.5
473.18494	0.5
473.23581	1.5
474.20380	5.8
475.21313	8.6
487.21457	3.2
488.21835	0.8
491.21155	1.3
501.23083	1.9
502.24225	0.5
505.25998	1.2
518.23584	0.5
519.20264	0.6
533.25580	15.3
534.25897	0.8
561.25031	22.1
562.25287	1.5
565.27869	0.6
589.24646	1.1
593.27643	3.3
621.27124	100.0
622.27594	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	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01872	4.7
55.05262	3.3
55.05516	45.8
57.07077	3.8
59.05001	3.3
61.16350	2.6
62.75766	2.8
65.03928	4.8
67.05513	29.6
69.03433	11.6
69.07072	15.7
69.51495	14.7
69.51904	3.5
71.05004	8.0
79.05498	36.8
81.07064	48.7
83.04981	16.7
83.08625	64.1
85.06542	6.0
86.09718	3.2
91.05492	58.2
93.07053	60.3
95.04982	36.1
95.08613	33.6
95.12777	2.3
97.06552	28.7
99.04451	6.8
100.23785	2.7
103.05489	7.1
104.10747	5.7
105.07041	100.0
107.04974	7.6
107.08602	61.8
108.05788	2.7
109.06565	15.1
109.10161	24.9
111.08106	4.1
113.05986	3.8
113.09647	8.8
115.05457	3.5
116.06242	5.5
117.07032	26.0
119.08594	94.4
121.06515	10.4
121.10155	54.6
123.08080	15.3
123.11730	3.8
125.09635	14.0
127.07554	3.1
128.06235	17.3
129.07016	23.4
130.07823	9.1
131.08577	43.2
132.09361	7.6
133.10143	56.5
134.10872	3.0
135.08076	13.4
135.11729	12.1
137.09616	5.9
139.11171	13.9
141.07016	10.9
142.07794	26.2
143.08580	45.6
144.09410	14.0
145.06470	7.1
145.10139	76.8
145.11304	4.5
146.10880	4.6
147.08043	12.3
147.11707	23.5
149.09610	13.9
149.13304	3.6
151.11223	3.4
153.07005	5.2
153.09149	2.9
154.07855	5.3
155.08577	22.9
155.10664	13.9
156.09410	22.3
157.10143	61.8
158.10910	7.5
159.08076	18.4
159.11707	38.2
160.08839	12.1
160.12466	3.2
161.09666	13.3
161.13268	9.0
162.13506	3.0
163.11221	4.1
165.06998	9.7
166.07829	4.4
167.08580	15.3
167.10655	16.5
168.09436	5.8
169.10147	35.4
170.08839	2.7
170.10928	7.4
171.08009	3.7
171.10284	5.7
171.11703	37.5
172.08789	3.7
172.12575	3.3
173.09674	13.3
173.13286	20.0
175.11221	10.2
175.14851	7.0
176.11868	3.1
179.08571	11.8
179.10913	2.9
179.14310	4.4
180.09373	7.3
181.10143	23.3
181.12213	24.1
182.10921	16.6
183.11732	25.3
184.12508	5.9
185.09598	4.8
185.13260	23.6
186.14088	6.3
187.11215	7.8
187.14842	9.2
189.12807	7.2
189.16434	2.8
191.14342	8.0
192.09372	4.3
193.10172	15.7
194.11000	7.2
195.11740	24.5
195.13530	4.5
196.12477	12.1
197.09627	3.6
197.13300	35.3
198.13922	2.6
199.11238	11.1
199.14857	15.5
201.12766	5.3
201.16530	3.7
203.14381	7.7
205.10185	7.2
206.10887	5.2
207.11710	13.3
207.13670	4.2
208.12468	7.0
208.14630	3.4
209.13286	20.5
209.15144	3.9
210.14020	5.2
211.11223	6.3
211.14833	24.2
213.12749	9.0
213.16357	6.4
215.14334	20.0
217.10123	3.3
217.15927	4.1
218.10872	3.0
219.11765	7.7
220.12581	7.5
221.13269	13.0
221.15427	19.0
222.14070	5.0
223.11304	4.3
223.14845	15.6
225.12764	4.5
225.14865	12.1
225.16653	7.0
227.14418	6.3
229.15851	3.5
231.11717	5.5
233.13292	6.8
233.15379	35.6
234.14134	3.8
234.16171	4.2
235.14787	12.9
237.16451	10.3
239.14305	3.4
239.18054	6.2
241.15852	4.5
245.13310	6.4
246.14104	4.4
247.14783	6.7
247.17001	7.1
249.16492	7.2
251.14328	3.3
251.18015	6.2
255.17473	37.7
257.19110	4.8
259.14810	5.0
261.16431	9.9
263.17978	5.6
265.19559	7.0
267.17627	4.0
268.18188	3.4
269.19052	7.8
270.19778	6.3
273.18756	4.2
275.18021	4.9
277.19501	3.5
281.18961	6.4
282.19797	5.2
283.20712	3.1
285.18707	5.2
286.19278	4.7
287.20297	5.3
289.19485	5.7
294.19983	3.7
295.20630	3.7
299.20203	4.5
307.20270	3.2
311.20331	3.8
312.21060	3.2
315.20941	2.7
317.22531	2.8
331.24374	4.1
334.22958	4.0
337.25287	6.4
347.23816	3.9
365.24661	10.0
367.26321	7.6
383.25916	14.1
399.26852	5.1
414.29367	4.6
457.30771	5.5
562.01819	3.4
582.40265	3.0
595.85083	2.7
600.41699	3.6
618.31183	11.6
618.42603	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50802	3.0
53.03946	7.6
55.05262	4.2
55.05513	46.0
57.07064	4.4
63.20123	3.5
65.03925	5.6
67.05508	35.8
69.03432	12.2
69.07071	26.0
69.64453	3.8
69.64785	23.8
71.04990	12.0
73.06580	3.6
75.09663	3.4
79.05499	45.7
79.58949	4.2
80.05830	3.4
81.07064	58.2
83.05000	21.2
83.08630	63.0
83.91697	3.2
85.06564	11.4
87.04462	8.2
91.05485	64.3
93.07052	73.7
95.04971	34.7
95.08616	37.4
97.06551	21.0
98.20690	3.3
99.04472	3.8
99.08110	6.1
103.05486	5.5
105.07040	100.0
107.04962	9.3
107.08607	78.4
109.06539	16.2
109.10168	38.0
111.08111	6.3
113.09673	12.7
115.05454	8.8
117.07031	22.3
119.04942	3.4
119.08589	89.7
121.06506	13.2
121.10149	65.1
123.08086	26.1
123.11699	8.6
125.09650	19.0
126.03149	3.6
128.06232	16.8
129.07039	23.8
130.07828	9.7
131.08578	57.6
132.09357	6.0
133.06441	4.6
133.10135	60.0
135.08073	12.1
135.11702	12.5
137.09618	10.7
139.11165	15.3
141.07025	11.6
142.07805	31.3
143.08563	59.1
144.09344	16.1
145.06474	10.8
145.10138	84.7
146.10936	3.9
147.08061	20.6
147.11671	23.0
149.09700	18.7
151.11186	4.0
153.07056	4.2
153.09140	5.0
153.12773	3.9
155.08574	24.3
155.10684	15.5
156.09386	26.4
157.10130	65.7
158.10854	7.8
159.08093	15.5
159.11671	38.9
160.08832	12.4
161.09595	17.4
161.13300	8.2
163.11198	7.9
165.07027	9.1
166.07751	4.9
167.08569	12.8
167.10706	20.3
168.09367	6.8
169.10149	36.2
170.10898	12.7
171.08112	4.6
171.11671	39.9
173.09676	13.1
173.13220	20.3
175.11200	12.9
177.12764	3.8
179.08566	13.8
179.14404	8.9
180.09361	8.0
181.10207	20.1
181.12250	26.5
182.10959	12.9
183.11751	26.3
184.12430	4.8
185.09680	8.9
185.13251	29.3
185.27052	3.5
187.11189	9.0
187.14841	12.7
189.12817	6.4
190.13599	4.7
191.14311	14.1
192.09319	7.5
193.10161	13.3
193.12210	3.5
194.10910	10.2
195.11734	30.1
196.12502	14.3
197.13295	39.6
198.14043	7.0
199.11206	11.3
199.14771	17.5
201.12732	5.0
201.16473	3.8
203.14267	4.2
205.10074	5.3
206.10956	8.7
207.11751	17.4
207.13814	11.6
208.12540	4.2
208.14412	4.9
209.13274	26.6
209.15041	4.2
210.13861	6.4
211.11243	6.7
211.14833	19.5
213.12758	10.2
213.16409	11.2
215.14316	19.1
217.15942	5.1
218.16388	5.7
219.11684	7.1
220.12454	5.4
221.13292	13.4
221.15431	17.4
222.14029	3.9
223.14818	15.1
225.12767	7.2
225.14838	17.2
225.16660	8.5
227.14316	11.6
233.13272	9.3
233.15363	49.7
235.14832	14.7
237.16464	14.4
239.14276	4.5
239.18013	5.6
247.14824	8.5
247.17038	7.1
249.16418	12.9
251.18109	9.6
253.15808	5.2
253.19637	6.3
255.17462	38.4
259.14914	6.4
261.16495	9.9
263.18030	8.7
265.19592	7.1
267.17511	6.1
270.19745	7.9
271.20602	4.9
273.16153	4.1
273.18723	4.9
275.17682	4.0
279.17487	3.4
281.15878	3.9
281.18863	6.5
282.19598	5.1
285.18784	5.2
286.19211	5.5
293.19034	4.5
295.20584	5.2
299.20154	7.1
307.20483	4.5
311.20117	4.1
312.20654	5.0
337.25293	6.6
365.24597	9.4
367.26208	3.8
381.25800	3.9
383.25882	12.7
399.27029	4.4
429.31357	4.7
452.75684	3.9
582.41278	5.2
600.41736	7.4
618.31067	42.7
618.42426	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	617.514
Annotation	1,3-Dilinolein
Peak:m/z	Relative Intensity
52.83607	1.7
55.05513	22.1
57.03414	3.5
57.07088	9.6
57.66264	1.8
65.40700	2.1
67.05506	52.8
69.07070	24.5
71.08627	7.3
71.57693	2.7
75.46745	1.7
79.05496	28.1
81.07057	52.2
83.04997	2.9
83.08627	15.7
87.04482	3.1
91.05496	17.5
93.07053	33.6
95.04969	3.0
95.08607	42.1
97.06499	2.5
97.10169	8.7
105.07043	15.0
107.08604	20.5
109.10162	21.0
111.08093	2.9
111.11708	2.7
117.07021	3.2
119.08582	14.7
121.10158	19.8
123.11701	7.0
125.09691	2.4
128.11848	2.2
131.08575	8.4
133.10146	9.5
135.11707	11.5
137.13289	2.8
145.10127	7.2
147.11684	6.9
149.13271	6.7
151.14780	2.5
159.11708	6.4
161.13261	4.3
163.14883	4.4
173.13301	5.2
175.14841	3.7
177.16412	3.9
189.16451	2.0
205.16084	2.1
219.37389	2.3
243.21146	2.2
245.22905	2.4
253.85121	1.9
259.20685	1.8
261.22186	4.3
275.23776	2.1
278.57175	2.1
335.25879	5.5
337.27426	4.1
339.29105	8.9
359.32855	2.1
519.41705	2.3
525.46808	4.2
543.47717	5.9
599.50146	16.6
617.51410	100.0
618.51563	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03949	8.6
55.01868	4.7
55.05262	3.4
55.05515	49.9
57.07082	13.6
59.05001	2.3
65.03928	5.9
67.05511	26.8
67.74152	1.6
69.03422	9.0
69.06779	1.7
69.07077	20.0
70.90548	4.3
71.04998	11.4
79.05495	34.9
81.03415	2.3
81.07061	59.0
83.04993	14.2
83.08623	76.9
85.02918	2.2
85.06552	12.5
87.04479	19.5
91.05489	57.6
92.06292	2.2
93.07047	64.3
95.04963	26.6
95.08614	34.5
97.06541	24.8
99.04469	5.2
99.08097	4.3
103.05483	7.4
105.07034	100.0
106.07862	2.5
107.04964	5.3
107.08600	73.4
109.06521	14.2
109.10169	30.3
111.08083	6.8
113.06045	3.5
113.09658	10.9
115.05476	6.2
116.06231	2.6
117.07039	22.7
118.07838	2.2
119.08588	91.8
120.09364	6.1
121.06518	9.6
121.10146	46.1
123.08083	41.3
123.11726	8.4
125.09638	26.6
126.10439	2.0
128.06233	14.4
129.07013	22.7
129.09122	3.5
130.07800	10.0
131.08575	56.9
132.09373	6.1
133.06490	3.2
133.10138	55.1
134.10928	3.7
135.08035	11.2
135.11710	15.3
137.09622	11.8
137.13263	2.5
139.11227	12.9
141.06982	12.0
142.07774	27.4
143.08568	47.6
144.09367	15.3
145.06532	10.9
145.10132	76.5
146.10886	6.5
147.08057	12.6
147.11693	29.9
149.09660	12.5
149.13251	4.5
151.07535	4.9
151.11166	4.9
153.07028	2.6
154.07794	6.1
155.08594	24.9
155.10658	21.9
156.09332	25.1
157.10139	66.6
158.10928	14.9
159.08125	15.1
159.09340	2.0
159.11697	47.9
160.08836	24.6
160.12498	4.4
161.09631	10.7
161.13222	9.1
162.10483	1.9
163.11211	9.7
165.06995	5.3
165.09132	6.1
165.12737	4.2
166.07872	3.3
167.08575	12.8
167.10718	7.3
168.09338	3.9
169.10152	34.9
170.10934	12.0
171.07991	2.3
171.10275	4.7
171.11681	51.0
171.13139	3.2
172.12448	5.6
173.09642	7.1
173.13249	22.9
175.11250	9.8
175.14854	7.3
177.12788	2.9
179.08588	11.4
179.10555	3.1
179.14320	10.0
180.09358	7.1
181.10161	18.0
181.12254	24.9
182.10959	15.9
183.11682	27.0
183.13907	3.9
184.12476	6.0
185.09616	3.8
185.13242	22.7
186.13974	4.6
187.11240	5.3
187.14825	9.9
188.11829	3.0
189.12775	7.8
191.14360	8.7
192.09467	2.9
193.10181	15.0
193.12025	3.4
194.10899	8.4
195.11739	27.2
195.13596	3.5
196.12492	7.9
197.09755	2.7
197.11682	4.0
197.13277	31.6
198.14030	5.3
199.11267	3.8
199.14902	14.4
201.12775	7.7
201.16389	5.4
203.14359	5.8
205.10233	4.2
205.15881	2.1
206.10995	5.5
207.11696	17.2
207.13800	12.7
208.12483	7.6
208.14386	3.3
209.13264	26.9
209.15125	3.1
210.14040	6.2
211.11237	3.6
211.14835	23.6
212.15620	2.8
213.12679	3.7
213.16370	8.8
215.14331	6.7
217.15921	3.0
219.11670	5.4
219.13788	4.4
220.12444	4.2
221.13248	13.9
221.15419	27.5
222.13998	4.7
223.11305	2.2
223.14833	16.9
224.15752	2.4
225.12752	3.3
225.14862	25.6
225.16479	5.1
227.14388	2.9
229.15991	4.7
231.11737	3.9
232.12570	2.4
233.13231	5.6
233.15385	20.2
234.13937	5.0
234.16208	10.8
235.14928	9.4
235.16908	3.3
237.12682	2.8
237.16470	9.2
239.14270	2.4
239.17981	5.2
241.15929	3.4
245.13324	5.3
245.15508	3.6
246.14005	2.8
246.16209	5.0
247.14767	5.5
247.17047	5.6
248.15710	2.1
249.16347	8.0
251.17979	5.6
253.15895	3.6
253.19604	2.0
255.17549	4.3
259.14713	2.5
261.16360	6.7
261.22116	2.0
263.18011	5.9
265.19528	6.6
267.17462	2.9
267.21005	2.6
271.17197	2.2
271.20541	2.6
273.18533	5.0
274.19397	2.5
275.17801	2.9
276.18619	2.2
277.19525	4.6
281.18994	4.0
283.20673	2.5
286.19278	8.8
287.20108	6.7
289.19458	3.7
291.17307	2.6
297.18427	2.3
299.20016	7.8
303.20844	3.6
312.20813	2.2
313.21872	2.8
325.21539	5.2
331.24219	2.1
337.25354	3.2
349.25226	5.3
352.24091	9.1
365.24722	7.0
367.26254	7.0
379.26041	2.1
417.27835	2.2
457.30777	2.3
475.32098	3.9
508.35428	2.9
520.35840	2.9
525.35864	3.7
538.36340	9.4
600.41211	7.3
618.42914	16.2
619.42059	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	616.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07503	0.7
56.05027	0.8
58.06343	1.3
58.06606	15.6
58.81178	0.7
62.98387	0.7
69.21989	8.1
70.06577	0.7
92.71476	0.7
98.21462	1.2
104.54911	0.7
109.02855	0.7
123.04470	0.9
125.45664	0.9
127.03900	0.8
137.05952	1.2
151.03992	0.8
159.99077	0.7
167.07187	0.8
181.06485	1.0
192.10130	1.7
205.06544	2.3
211.07570	4.0
222.06815	1.9
223.07640	0.9
225.09029	1.3
227.07013	1.2
228.07799	1.4
233.05980	1.7
234.06987	0.8
237.09129	5.7
239.07024	4.8
243.10187	3.2
253.08711	1.1
254.09482	0.9
255.06552	1.9
264.24200	0.7
265.08594	6.1
266.09421	2.2
270.08926	2.4
271.09741	4.7
282.08929	3.0
285.11151	1.8
297.11169	2.4
311.09106	0.8
328.15445	100.0
329.15710	5.8
465.08151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.9
53.03941	3.6
53.72266	1.1
53.72776	0.9
55.01849	1.2
55.05265	1.2
55.05519	21.0
57.03448	5.5
57.07081	6.1
65.03933	2.7
65.13008	0.9
67.05515	57.1
69.07074	24.6
70.88544	2.5
71.04998	1.4
71.08639	3.2
72.86836	0.9
79.05505	30.3
81.07066	58.9
82.13372	1.0
83.08630	15.0
85.06542	2.2
85.10188	1.3
86.41003	1.0
89.06022	1.6
91.05077	0.5
91.05488	23.4
93.07057	39.6
95.04968	3.2
95.08620	48.8
96.08954	1.2
97.06547	3.9
97.10195	7.9
105.07043	23.4
107.08604	24.3
107.43863	0.9
109.06547	1.1
109.10168	22.9
111.08101	3.3
111.11745	1.3
113.09675	1.0
117.07034	6.4
119.07789	1.9
119.08598	26.6
121.10152	18.2
123.08074	1.4
123.11698	7.9
125.09635	1.7
129.07085	2.3
131.08578	14.4
133.10155	16.5
135.11707	15.3
137.13301	3.4
143.08562	3.7
143.09555	1.0
145.10127	13.5
147.11708	13.3
149.13271	8.3
151.11179	1.1
151.14900	1.3
155.08510	1.6
157.10155	3.9
159.11722	8.8
161.13266	8.5
163.14819	4.9
165.16373	1.5
169.10178	2.0
171.11774	3.6
173.13269	6.5
175.14857	4.3
177.16397	1.9
179.17929	1.6
180.58286	1.0
185.13350	3.3
186.06471	1.1
187.14861	4.0
189.16467	2.8
197.13200	1.1
199.14903	2.6
201.16403	2.7
203.17966	1.5
205.19533	1.8
213.14886	1.3
215.17986	1.5
217.19547	1.0
219.21223	1.9
227.16330	1.1
229.19580	1.3
233.22708	1.8
243.21175	3.1
245.22701	1.8
255.19502	1.5
259.20624	6.1
261.22174	10.4
263.23792	2.5
275.23792	1.3
277.21661	1.4
279.23233	1.6
281.21201	1.2
287.23740	1.5
297.24414	1.4
301.25458	1.7
317.24908	1.7
333.24304	3.5
335.25842	9.5
337.27414	13.1
339.29022	5.4
347.26196	1.0
371.33258	1.5
427.33899	1.0
491.37448	1.7
505.38602	1.6
523.45355	6.2
541.46027	2.9
597.48859	14.0
615.49908	100.0
616.50391	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	615.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06009	2.4
53.03951	7.5
55.01863	3.3
55.05518	25.1
57.03439	7.6
57.07070	9.7
61.44533	2.3
65.03941	4.3
67.05511	56.1
69.03436	25.9
69.07071	36.9
69.57182	4.8
69.57564	19.1
71.01342	3.3
71.04994	4.8
79.05497	38.5
81.03426	24.9
81.07063	93.2
83.04987	8.9
83.08621	14.1
85.02905	20.4
85.06546	3.9
87.04477	3.1
91.05489	40.7
93.07044	63.8
95.04948	14.6
95.08611	77.8
97.02898	12.2
97.06549	7.8
97.10181	6.4
99.04470	5.4
100.34185	2.9
101.22930	2.7
103.05508	4.2
105.07036	65.0
107.08603	60.9
109.02860	6.6
109.06530	4.6
109.10162	55.3
111.04466	7.3
111.08112	3.4
117.07032	18.9
117.07745	2.6
119.08595	72.5
121.06491	4.1
121.10158	56.7
123.08089	5.9
123.11712	46.7
127.03950	10.2
128.06313	3.8
129.06992	13.4
131.08575	43.6
133.10136	56.7
133.11087	4.2
135.08098	5.7
135.11711	44.5
137.09660	11.1
137.13303	10.7
141.07007	3.7
142.07787	6.8
143.08572	30.9
143.19472	2.5
144.09373	3.6
145.08362	2.7
145.10127	48.6
147.07980	4.3
147.11676	35.5
149.13287	20.9
155.08591	9.9
156.09332	4.6
157.10150	34.7
158.10930	3.0
159.11725	31.8
161.09657	4.7
161.13243	21.9
163.14857	7.4
167.08614	4.2
169.10083	15.8
170.11028	3.6
171.11703	26.6
173.09697	4.6
173.13255	25.7
175.14842	36.7
177.16380	8.7
181.10178	8.0
183.11742	16.0
185.09674	3.7
185.13222	22.4
187.14850	16.7
189.16444	8.1
193.15915	6.9
195.11815	7.2
196.12341	3.3
197.13246	14.7
199.14882	20.1
201.16451	11.6
203.18016	3.9
207.11664	3.3
209.13287	5.6
211.14903	9.3
213.16394	13.2
215.18108	5.9
217.19569	3.2
225.16440	6.4
227.18053	9.6
229.19604	4.6
231.17345	3.2
239.17957	3.9
241.19545	8.1
243.21300	4.0
253.19548	4.1
255.21123	6.5
257.22726	3.8
261.22052	3.6
269.22769	8.7
299.23886	4.8
311.23944	5.2
313.25256	6.3
339.26862	4.0
365.28699	3.6
379.29965	4.4
433.34952	3.7
435.36172	13.7
457.29291	3.6
458.44962	3.7
461.28799	5.5
475.30368	5.6
479.30148	4.2
493.31625	5.7
561.39734	6.1
579.40424	13.5
597.41602	51.3
615.42560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
53.28904	0.9
55.01881	1.1
55.05514	20.7
57.03452	4.5
57.07077	5.5
58.80033	0.8
63.62265	0.9
65.03945	2.2
67.05508	46.8
69.07070	20.6
71.04989	1.9
71.08619	2.8
78.84631	0.8
79.05495	25.0
79.22332	0.8
81.07060	51.8
83.04987	1.6
83.08620	12.8
85.06545	2.5
85.10160	1.0
86.83522	0.8
91.05482	21.1
92.67831	0.8
93.07044	38.2
95.04972	2.4
95.08610	45.9
97.06536	3.0
97.10178	8.3
98.20694	1.4
99.08099	2.7
103.05475	0.9
105.04514	1.2
105.07030	20.9
107.08599	24.2
109.06506	1.6
109.10157	20.7
111.08095	1.7
113.09652	1.2
117.07015	5.3
119.08581	22.4
121.10139	18.4
123.08115	1.0
123.11724	9.4
125.09678	1.8
127.11208	0.8
129.07019	2.6
131.08580	12.7
133.10135	17.1
135.11697	12.0
137.13274	3.1
143.08580	3.4
145.10130	12.3
147.11703	10.9
147.94229	0.8
149.09627	1.2
149.13237	8.5
151.14827	2.5
153.12788	1.1
157.10153	3.4
159.11711	7.8
161.13297	7.8
163.14854	4.3
165.16385	1.1
169.10123	1.7
171.11681	4.1
173.13298	6.2
175.14819	4.7
177.16412	2.4
183.11760	1.4
185.13329	2.4
187.14844	3.8
189.16483	3.3
191.18019	1.5
197.13560	0.9
199.14781	1.8
201.16431	2.6
203.17941	1.4
205.19479	1.8
215.18027	1.5
217.19484	1.4
219.21143	1.1
231.17456	1.1
231.21085	1.4
233.22765	1.7
241.19669	2.1
243.21149	2.4
245.22768	1.9
247.20564	1.6
259.20593	4.5
261.22177	9.4
275.23669	1.8
277.21524	2.1
279.23407	1.1
287.23730	1.9
301.25250	1.3
303.26706	1.1
309.24554	0.9
317.24933	1.4
321.24200	1.0
323.26480	1.1
333.24301	1.7
335.25784	9.3
337.27347	11.6
339.29092	4.0
343.30164	1.2
361.27188	1.1
389.30838	1.0
469.70706	0.9
473.58139	0.9
505.38843	1.2
519.40161	1.1
523.45087	5.7
531.40948	1.7
531.66461	1.0
532.41949	1.0
541.46082	2.5
578.84808	1.2
597.48907	12.9
615.49817	100.0
616.50165	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	3.7
55.05517	14.9
57.03441	4.0
57.07069	4.0
67.05176	3.0
67.05513	37.6
69.07076	20.6
70.84799	1.8
70.85121	3.5
79.05493	23.7
81.07068	41.4
83.08645	9.8
85.06573	1.9
91.05473	21.8
91.35270	1.5
93.07062	24.8
95.08615	32.1
97.06550	4.1
97.10179	5.4
105.07044	19.9
107.08624	16.8
109.10171	14.1
115.05482	2.1
117.07049	12.4
119.08583	20.6
119.85289	1.9
121.10162	14.4
123.08025	1.8
123.11745	5.1
129.07014	7.5
131.08586	19.9
133.10141	17.3
135.11691	9.2
137.05931	3.4
137.13246	2.0
141.07028	1.7
143.08626	5.7
144.09421	2.0
145.10115	17.1
147.11711	11.0
149.13272	5.9
155.08539	3.1
157.10178	7.8
159.11705	13.5
161.13284	6.4
169.10214	1.9
171.11774	7.1
173.13258	9.7
175.14877	4.8
177.16434	2.6
179.14352	2.4
183.11699	2.0
185.13376	5.5
187.14850	4.9
189.16298	2.6
197.13152	2.3
198.41873	1.8
199.14867	2.3
201.16417	3.6
211.14511	2.8
213.16432	3.9
231.21246	1.9
259.20679	2.9
261.22101	3.8
277.21466	3.5
327.26877	2.0
333.24307	2.2
335.25873	4.2
337.27399	3.4
338.14780	1.7
521.43732	5.3
539.44507	3.2
543.40540	3.1
595.47620	9.6
613.48303	100.0
614.48871	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	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03959	2.8
55.01868	1.8
55.05271	1.2
55.05517	23.0
57.03443	5.6
57.07077	3.0
61.37012	1.0
65.03956	1.2
67.05507	57.3
69.07069	20.1
69.86278	2.6
69.86686	3.3
71.05002	1.5
71.08611	2.6
73.86599	1.1
79.05499	32.8
79.62009	1.0
81.07063	64.4
83.04980	2.0
83.08612	11.4
85.06550	3.1
91.05487	27.7
93.07052	41.6
95.04976	3.1
95.08613	50.5
97.06556	4.9
97.10194	5.3
98.02423	1.0
98.21523	1.2
99.08079	1.7
105.07033	28.4
107.08606	25.5
107.98863	1.0
109.10165	26.2
111.08096	2.2
117.07018	12.3
119.08584	26.0
121.10155	20.0
123.08092	1.1
123.11713	8.8
125.09623	1.6
129.06990	5.3
131.08571	23.5
131.09520	1.7
133.10138	20.4
135.11711	15.4
136.16673	1.1
137.13243	3.2
139.11174	0.9
141.06964	1.5
143.08575	7.0
145.10126	20.6
147.11694	18.1
149.13271	11.0
149.47321	1.1
153.56802	1.2
155.08585	2.6
157.10150	6.9
159.11696	16.1
161.13274	11.4
163.11218	1.2
163.14862	5.8
169.10164	2.4
171.11646	6.8
173.13257	12.0
175.14859	4.1
177.16402	1.5
179.14354	1.8
183.11745	2.6
185.13255	5.6
187.14798	7.7
189.16452	2.8
191.14354	1.0
191.17996	1.4
195.11650	1.5
197.13226	2.9
199.14874	4.2
201.16452	2.8
203.18004	1.8
211.14818	1.2
213.16426	2.8
215.18045	1.8
217.19563	1.5
225.16521	1.3
229.19545	2.3
231.20961	1.4
241.19566	3.1
243.21191	3.2
245.22708	1.4
259.20566	7.5
261.22171	9.8
263.23706	2.9
273.22171	1.4
277.21805	2.7
287.23639	1.2
311.23584	1.0
313.25290	1.5
315.23096	1.1
321.24252	1.4
327.27106	1.4
327.68243	1.1
333.24158	5.5
335.25879	16.1
337.27332	7.9
341.28201	1.1
353.28369	1.1
475.34338	1.3
489.35257	1.6
503.37073	1.4
521.43408	6.0
539.44684	4.0
543.40607	1.8
595.47290	12.3
613.48273	100.0
614.48566	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	3.0
55.01865	1.6
55.05270	1.4
55.05511	25.8
57.03445	9.2
57.07065	6.4
65.03931	3.6
66.49695	1.3
67.05508	68.9
69.06719	2.3
69.07069	25.3
71.04990	2.6
71.08634	2.9
71.58295	2.7
74.09730	1.6
79.05502	42.7
81.07059	72.7
83.04970	3.0
83.08623	17.7
85.06556	3.5
89.06028	1.7
91.05462	40.1
93.07047	44.9
95.04974	5.3
95.08613	54.1
96.08958	1.9
97.06542	5.1
97.10191	8.0
99.08108	3.3
105.07040	44.5
107.08604	24.9
109.10161	24.6
111.08102	2.5
116.06206	1.9
117.07028	15.4
119.08590	42.5
121.10148	19.0
123.08046	1.8
123.11706	8.4
128.06233	2.7
129.06989	9.2
130.07841	1.7
131.08580	27.2
133.10143	28.2
135.11720	15.2
137.06000	2.3
137.09549	1.7
137.13274	2.6
141.06950	2.4
142.07735	1.5
143.08560	10.7
144.09311	1.6
145.10139	30.1
147.11691	21.0
149.09531	1.6
149.13301	8.0
151.07576	2.0
155.08569	3.5
157.10143	14.3
159.11682	17.3
161.13261	15.2
163.11218	1.8
163.14832	4.1
169.10164	4.1
171.11684	12.4
173.13293	13.9
175.14845	12.4
181.10132	2.6
183.11783	4.3
185.13213	8.6
187.14807	7.7
189.16428	4.8
192.28137	1.5
195.11758	1.8
197.13329	4.8
199.14798	7.0
201.16437	4.6
213.16391	3.0
215.18150	3.0
217.19598	2.5
225.16403	2.4
227.18042	1.9
229.19539	2.3
231.21165	2.9
239.18102	2.3
240.09584	1.6
241.19553	10.6
243.21109	2.0
245.22670	2.9
257.19061	2.6
259.20569	21.4
261.22275	4.4
263.23868	1.5
275.20340	1.8
277.21323	1.5
287.05707	1.6
297.22150	1.5
315.23383	2.9
333.24353	12.4
335.25839	6.8
337.27399	31.5
357.06717	3.8
432.42892	1.4
503.42770	3.0
521.44006	10.4
529.38580	2.4
539.44647	3.5
543.40686	2.0
577.45947	1.6
595.47296	11.9
613.48254	100.0
614.48511	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	2.9
53.77556	0.8
55.05515	16.4
57.03446	6.1
57.07077	3.6
65.03938	1.5
66.83916	0.8
67.05508	54.2
69.07077	18.1
69.07446	1.1
70.73228	1.5
71.04996	1.6
71.08626	1.2
79.05495	30.6
81.07063	57.1
83.05016	0.9
83.08626	10.2
85.06545	2.6
91.05486	24.4
91.06010	1.7
93.07052	35.3
95.04957	4.2
95.08612	44.2
97.06546	2.9
97.10172	5.8
99.08082	1.3
103.05497	1.3
105.07034	28.1
107.07880	1.6
107.08599	24.4
107.09298	1.6
109.10165	21.6
111.08107	1.5
111.11703	1.3
115.05503	1.1
115.06339	1.0
117.07024	10.0
119.08579	23.5
121.10152	20.3
123.08110	1.6
123.11702	8.6
125.09618	1.4
128.06224	1.0
129.06976	5.5
131.08571	20.1
133.10138	21.3
133.11082	1.4
135.08096	0.9
135.11685	14.0
137.09653	1.1
137.13300	3.3
139.11163	1.0
143.08601	4.9
145.10133	17.7
145.11290	1.2
147.11700	13.9
149.13264	9.7
151.14799	2.4
155.08592	2.4
157.10158	7.6
159.11703	14.6
159.22569	0.9
161.13284	10.5
163.11198	1.2
163.14871	3.4
169.10201	2.8
171.11690	6.6
173.13271	11.7
175.14844	6.7
177.12819	1.3
177.16385	2.5
183.11740	2.5
184.24046	1.0
185.13254	4.9
187.14835	8.1
189.16400	2.8
191.17949	1.1
197.13232	1.3
199.14810	5.8
201.16406	2.7
203.14294	1.0
203.18022	1.5
211.14943	2.1
213.16455	2.6
215.18100	1.7
222.95810	0.9
225.16548	1.2
229.19579	1.9
231.21143	1.9
241.19608	3.8
243.21123	3.4
247.20496	1.2
251.17961	0.9
257.18817	1.1
259.20566	10.5
261.22156	11.0
263.23828	2.4
267.21097	0.9
273.22122	1.8
275.23682	0.9
279.23376	1.1
285.22189	2.1
287.23804	1.2
295.22601	1.4
299.23685	1.6
301.25418	1.4
315.26917	2.0
317.24844	2.6
323.26028	1.3
323.64822	1.0
325.25558	1.0
333.24124	5.1
335.25809	16.7
337.27399	10.9
338.89520	1.2
341.28232	1.8
343.26291	1.0
351.25766	1.1
355.30060	1.6
377.30865	1.0
477.36035	1.4
489.35715	1.6
503.37189	2.1
507.35120	1.1
521.43652	5.9
529.38501	1.0
539.44867	3.4
543.40222	1.5
577.46173	1.0
595.47449	12.2
613.48254	100.0
614.48553	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
51.07314	1.1
51.70030	1.2
53.03947	3.4
53.16748	1.2
53.38414	1.2
55.01871	2.2
55.05515	15.6
57.03438	5.0
57.07072	4.6
65.03932	2.4
67.05507	48.7
69.07076	17.8
70.74629	3.2
71.05003	1.5
71.08651	2.5
79.05498	36.2
81.07063	50.5
83.05005	1.7
83.08636	8.3
85.06564	1.8
91.05484	36.1
93.07047	40.5
95.04977	3.1
95.08614	37.7
95.09229	1.4
97.06537	3.4
97.10180	4.8
99.08096	2.0
105.04555	1.4
105.07037	33.6
107.08599	22.2
107.09284	1.7
109.06522	1.0
109.10166	15.0
115.05447	2.2
116.06229	1.4
117.07023	14.1
119.08592	30.9
121.10158	20.0
123.11717	4.5
125.09616	1.4
128.06285	2.4
129.06990	11.1
130.07867	1.3
131.08575	24.1
131.09518	2.0
133.10143	21.3
135.11694	12.6
137.13287	2.9
141.07005	3.4
142.07780	1.6
143.08582	12.2
145.10133	21.6
147.11702	16.5
149.13275	7.6
155.08563	6.3
157.10115	14.2
159.11697	19.0
161.09639	1.8
161.13264	11.1
163.11276	1.3
163.14873	3.8
167.08614	2.6
169.10181	7.1
171.11731	11.2
173.13268	13.7
175.11278	1.1
175.14879	5.7
179.08540	1.3
181.10150	2.5
183.11691	8.0
185.13255	10.0
187.14862	6.1
189.16380	2.6
195.11737	3.1
197.13306	5.0
199.14873	7.9
201.16490	3.5
203.18127	1.6
209.13268	2.3
211.14841	3.0
213.16478	5.2
215.17963	2.4
223.14876	1.8
225.16403	2.7
229.19554	2.2
231.21133	2.9
237.16475	1.4
239.17940	2.9
241.19585	10.0
243.21175	2.0
251.18030	1.5
254.84233	1.2
257.19028	4.9
259.20630	17.2
261.22202	2.8
273.22031	1.4
311.23746	1.2
315.22989	1.2
323.23825	1.8
331.22662	1.7
333.24301	8.7
335.25879	19.9
337.27728	1.6
355.26324	1.4
377.03552	1.3
432.88388	1.4
487.34058	1.5
499.25272	1.5
515.37665	1.2
519.42023	6.4
537.42792	3.6
541.39410	1.5
593.45569	9.2
611.46716	100.0
612.46777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01869	2.2
55.05265	1.0
55.05512	15.1
57.03437	4.9
57.07083	3.7
59.05008	1.3
64.74426	0.8
65.03937	1.3
66.18142	0.6
67.05505	29.1
69.03414	1.4
69.07071	14.8
71.05004	1.9
71.08633	1.5
71.58391	1.0
73.36565	0.6
77.83508	0.7
79.05494	17.0
81.06577	1.5
81.07057	28.3
83.04989	1.6
83.08621	7.4
85.06561	0.9
91.05473	17.0
93.07043	18.7
95.04973	2.4
95.08614	22.9
97.02892	0.8
97.06534	2.8
97.10161	5.0
99.08089	1.8
105.07034	17.8
106.30179	0.6
107.04993	1.0
107.08595	14.6
109.06535	1.7
109.10171	9.5
111.08083	1.9
111.11682	0.6
113.09632	1.2
115.05468	1.5
117.07027	13.0
119.08580	15.1
121.06539	0.9
121.10149	8.1
123.08118	1.8
123.11713	2.8
125.09659	2.1
128.06253	2.6
129.07016	11.3
131.08566	19.8
131.09520	1.3
133.10138	10.4
135.10780	1.0
135.11696	6.0
137.09630	0.9
137.13208	1.2
139.11227	1.1
141.06970	3.8
142.07809	2.8
143.08566	17.0
144.09355	1.4
145.10121	18.9
145.71848	0.6
147.11700	6.9
149.09633	0.9
149.13254	2.7
151.14833	0.7
153.06969	1.1
154.07831	0.9
155.08548	10.4
155.09671	0.8
156.09326	1.8
157.10130	16.7
159.11696	15.5
161.13246	5.1
163.14832	1.4
165.07022	1.1
167.08604	3.1
168.09355	1.7
169.10124	11.2
170.10881	1.3
171.06558	0.8
171.11678	13.3
173.13269	9.0
175.14903	2.9
177.12749	0.8
177.16447	1.3
179.08649	0.8
180.09251	0.7
181.10083	5.0
183.11716	11.2
185.09657	0.7
185.13254	8.6
187.14838	4.6
187.31076	0.7
189.16426	2.2
191.17896	0.7
193.10236	1.9
195.11700	5.5
197.13255	10.2
199.13185	1.1
199.14848	7.4
201.16447	3.4
207.11726	1.7
209.13315	4.0
209.15060	0.6
211.11264	0.7
211.14799	6.3
213.16414	4.4
215.17937	3.4
221.13268	1.4
223.14864	2.8
225.16438	4.9
227.18048	3.7
229.15866	0.8
229.19563	2.6
235.14857	1.4
237.16499	2.3
239.17888	3.4
241.19553	2.1
243.21121	2.0
249.16466	1.4
251.18062	2.0
253.19553	2.1
255.21216	1.0
257.22873	0.8
261.22211	0.9
265.19598	1.4
267.21124	1.8
269.19058	0.7
269.22690	0.9
271.20645	0.9
275.20230	0.8
275.77106	0.7
279.21121	1.0
281.22552	1.0
285.22076	1.2
293.22748	0.9
309.22162	1.3
309.25693	0.8
311.23691	0.8
313.21899	0.9
313.27634	1.1
323.23654	1.0
325.25369	1.2
327.23364	0.7
335.25958	0.8
337.25058	0.9
339.26929	1.7
351.27094	0.9
353.24695	0.7
353.28568	1.5
355.26169	0.9
365.28635	1.0
367.30057	1.0
371.29434	0.8
381.27679	0.9
383.29425	0.8
393.31549	1.6
395.33243	0.8
407.33435	0.9
409.30981	0.8
419.33508	0.7
423.32806	0.8
425.34204	1.0
435.33261	0.7
437.34320	1.1
449.34229	1.2
455.44562	0.7
501.41055	2.9
519.42090	12.9
527.37714	0.9
537.43164	8.5
555.44275	1.2
557.44031	1.0
575.44666	1.9
593.36377	1.4
593.45605	15.4
593.55005	0.9
611.46692	100.0
612.46881	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01871	3.1
55.05516	20.7
55.50495	0.9
56.87879	1.0
57.03440	6.8
57.07079	3.4
65.03951	3.2
67.05509	58.3
69.07072	19.6
70.47869	2.8
71.05001	1.8
76.48160	0.8
77.03928	1.2
79.05500	42.7
81.07063	55.7
83.04993	2.4
83.08623	10.0
85.06544	1.6
91.05489	37.9
93.07049	46.3
95.04977	4.1
95.08614	43.4
97.06541	3.4
97.10174	4.4
99.08101	1.9
103.05444	1.4
105.07037	40.2
107.08595	23.2
109.06527	1.6
109.10162	17.3
111.08142	1.3
113.09655	1.1
115.05482	2.3
116.06238	1.5
117.07022	15.6
119.08584	33.1
121.10154	22.8
123.11730	6.4
125.09664	1.8
128.06236	2.0
129.07018	12.6
130.07840	1.7
131.08577	27.1
133.10138	23.5
133.11081	1.6
135.08105	1.2
135.11687	13.4
137.13290	1.5
141.07013	3.3
142.07834	2.8
143.08575	12.9
144.09291	1.3
145.10132	28.7
147.11703	21.2
149.13252	7.4
155.08604	6.8
157.08916	1.7
157.10126	15.2
158.10855	1.1
159.11697	19.4
161.13286	14.6
163.14877	3.8
169.10127	8.6
171.11693	13.9
173.13268	12.2
175.14830	6.5
177.12663	1.3
177.16460	2.2
179.08525	1.0
181.10188	2.7
183.11722	8.6
185.13271	12.4
187.14827	8.6
189.16431	2.6
195.11703	2.6
197.13252	6.5
199.14870	9.3
201.16388	5.1
203.18037	1.5
209.13330	3.0
211.14893	3.8
213.16441	4.8
215.17947	1.8
217.15930	1.2
217.19739	1.0
223.14766	1.1
225.16481	2.9
227.18069	2.4
229.19653	2.0
231.21127	1.3
237.12480	0.9
239.18007	2.9
241.19577	9.3
243.21162	2.6
247.20573	1.1
253.19475	1.3
257.19006	4.2
259.20532	17.7
261.22113	5.1
283.20990	1.1
283.24435	1.1
299.23773	1.4
301.25409	1.2
311.23880	1.4
313.25208	1.5
315.23312	1.4
323.23676	1.1
333.24329	9.5
335.25830	20.0
351.26956	1.4
353.28592	1.4
465.33478	1.1
519.41937	7.2
527.37476	1.4
537.42926	2.6
541.39117	1.8
593.45721	7.6
611.46710	100.0
612.47156	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	611.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
53.74099	1.5
55.05508	11.9
55.76915	1.7
57.07078	16.8
60.53838	1.5
67.05173	1.7
67.05505	19.4
68.96687	1.6
69.03425	8.2
69.07069	13.3
69.49452	7.2
69.49857	3.5
71.04980	3.2
71.08634	11.1
79.05496	11.5
81.03441	8.4
81.06582	2.1
81.07059	29.0
83.04984	14.7
83.08641	7.7
85.02909	11.0
85.10176	4.6
91.05444	10.2
92.23331	1.5
93.07051	21.3
95.04953	4.5
95.08611	38.5
97.02895	9.4
97.10152	5.3
99.04431	3.9
99.08092	5.1
105.07034	19.2
107.08593	21.6
109.02898	7.0
109.06517	2.9
109.10162	17.1
111.08071	2.4
113.09609	3.3
117.07023	4.2
119.08585	65.3
121.10166	7.5
123.11688	7.3
125.09646	1.5
127.03907	12.1
131.08553	5.2
133.10135	87.0
135.08151	1.8
135.11693	28.6
136.12059	2.6
137.09631	23.3
143.08575	4.0
145.04961	3.1
145.10133	6.1
147.11716	8.1
149.13269	1.9
151.07570	1.7
151.11191	1.5
155.10661	3.3
157.10133	2.5
159.11693	5.9
163.14771	2.1
169.10126	1.5
173.13226	1.5
175.14832	100.0
185.13284	1.9
193.15889	29.5
211.16977	7.8
239.23663	10.5
257.24625	1.7
281.13547	1.5
305.77737	1.6
335.25635	1.8
355.70981	1.4
383.27847	8.0
401.28964	6.9
502.47223	1.9
540.01825	1.6
591.24414	1.6
611.37476	2.5
611.47339	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	611.1402
Annotation	Theasinensin C
Peak:m/z	Relative Intensity
55.01863	1.4
63.71415	0.7
65.03937	1.3
67.01852	0.9
67.05524	0.7
68.99789	3.2
69.03433	1.1
70.00468	0.8
71.55350	1.1
82.77708	0.7
85.02904	2.3
86.38371	0.8
95.04980	1.4
97.02897	1.9
98.97555	1.1
104.74162	0.8
107.04964	1.8
111.04461	4.4
121.02894	2.1
123.04420	3.0
127.03934	5.6
135.04416	2.0
139.03911	100.0
140.04227	1.4
143.01958	0.9
145.04988	1.0
147.04402	1.1
151.03911	13.7
163.03918	61.8
164.04213	0.8
165.05469	1.3
173.06100	1.7
175.03879	1.5
177.05467	3.4
179.03380	1.7
179.07849	1.0
181.05038	1.0
183.04405	1.5
197.06110	1.7
201.05518	2.5
213.05489	4.1
215.03441	2.2
225.05498	1.4
229.05046	6.2
231.06683	1.0
237.05443	1.5
239.06848	0.9
241.05003	1.3
243.02852	0.9
243.06462	0.9
245.04762	1.7
247.06075	1.7
253.04980	3.0
257.04453	5.9
259.06113	4.2
261.04025	3.3
267.06491	1.0
271.06262	1.0
275.05496	14.3
277.06985	4.1
281.04391	2.4
283.05823	1.0
287.05469	4.5
288.65091	0.8
289.07190	1.1
295.06012	2.0
299.05472	4.1
301.07150	2.0
305.10840	1.3
311.05701	1.3
313.07190	1.1
317.06607	1.1
329.06616	1.3
361.06995	1.0
389.06802	1.1
407.07745	6.5
425.08771	10.3
437.08990	1.0
439.10574	1.6
449.08450	4.4
455.09683	1.3
467.09689	7.4
575.11517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
51.19223	0.2
51.78962	0.2
53.03929	0.3
55.01873	0.4
55.05511	0.3
56.20663	0.2
56.82714	0.2
57.03440	1.9
59.04992	0.3
61.02907	0.6
65.03920	0.2
68.99781	0.5
69.03430	1.1
70.03486	0.4
70.03873	0.4
71.04995	9.1
73.02911	0.4
74.41814	0.3
75.04472	0.5
81.03397	0.6
83.04967	0.6
85.02908	13.6
87.04469	0.4
91.03946	0.3
93.03413	0.3
95.04935	0.3
97.02883	1.5
99.04430	0.3
109.02883	0.6
111.00787	0.7
111.04447	0.2
121.02872	0.5
122.78474	0.2
123.04472	0.3
127.03912	0.9
129.05484	3.0
135.04361	0.3
137.02338	2.7
145.04945	0.6
147.06543	1.0
149.02328	0.2
153.01839	2.8
153.79082	0.2
161.05899	0.2
163.03911	0.5
165.01839	1.8
171.02988	0.2
173.06010	0.3
177.05414	0.2
183.02904	0.5
183.04451	0.3
187.04002	0.3
195.02931	0.3
201.05435	1.4
205.46858	0.2
219.06480	0.2
229.04980	2.8
247.06015	0.6
257.04443	2.4
274.04703	0.5
285.03879	1.0
303.04996	100.0
304.05292	2.2
345.05954	0.4
465.10190	0.6
626.22876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15845	0.4
65.03944	0.7
67.05492	0.9
69.03430	0.6
69.07078	0.5
70.77600	0.8
79.05500	1.1
80.91162	0.4
81.03439	0.9
81.07068	1.7
85.02910	0.7
86.06094	1.2
91.05489	6.5
93.07069	1.0
95.04992	1.4
95.08630	1.2
103.05502	0.8
105.07056	1.7
107.04958	3.7
107.08604	0.6
109.02915	0.6
109.06550	1.0
109.10133	0.7
115.05463	8.1
117.07043	1.3
118.06550	1.0
119.04966	3.3
119.08607	0.7
121.06521	1.2
121.10191	0.7
123.04443	1.6
127.03966	0.7
129.07027	1.1
131.04929	2.1
132.05727	0.4
132.08119	0.6
133.06526	0.7
133.10165	0.8
135.04373	0.5
136.05276	0.7
137.05980	6.4
143.04933	22.6
144.05675	0.9
145.06537	1.6
145.10178	0.5
146.03654	0.7
146.06056	2.7
147.04466	1.6
147.08069	0.5
151.03906	0.8
151.07564	9.3
157.06516	0.6
159.04465	1.0
160.05232	2.6
160.07607	1.4
161.05957	4.0
161.09746	0.5
162.05620	0.5
163.06313	7.2
163.07555	1.0
164.06982	0.5
165.07053	0.8
165.09128	0.6
167.07074	4.3
167.08450	0.6
173.06055	1.0
174.06833	1.5
175.03978	0.5
175.06058	0.8
175.07565	15.1
176.07091	0.7
177.05554	0.7
177.72934	0.5
178.08653	55.8
179.07243	0.5
179.08609	2.2
181.05000	3.0
181.06447	0.7
183.08031	0.5
187.07486	0.5
189.09148	1.2
191.07097	0.6
191.08675	1.9
192.10254	1.9
195.08139	1.6
197.06093	0.9
199.07655	1.3
205.06645	0.9
205.08665	2.1
207.06473	0.6
207.08121	3.0
208.08939	0.9
209.09810	0.7
210.06796	0.8
211.07578	2.1
212.08275	0.7
213.09189	2.0
219.08153	2.1
220.09802	5.7
221.06065	0.7
221.09761	0.5
222.06859	0.6
223.07562	2.6
224.08359	1.6
224.49507	0.4
225.09108	2.4
227.10623	0.5
235.07607	3.7
236.08386	1.3
237.09125	5.3
238.09892	0.6
239.10799	1.3
240.07809	0.6
241.08662	0.8
249.09195	1.2
250.09964	1.1
251.07039	1.4
251.10788	1.1
252.07925	1.5
252.11461	6.3
253.08577	2.5
254.09390	0.6
255.10239	1.3
261.09253	0.5
265.08698	1.2
266.09439	1.2
267.10184	9.3
268.10889	2.4
283.09665	0.8
287.10840	0.4
297.83530	0.5
303.05093	1.1
307.24515	0.4
329.11679	0.5
360.13647	0.7
361.14661	0.6
373.14249	2.3
387.15933	0.9
503.18521	1.0
519.18127	0.5
523.21051	0.6
535.21057	2.5
552.23743	3.4
569.26611	0.7
611.27563	100.0
612.27930	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	610.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17469	1.6
53.03942	6.9
53.20039	1.8
55.01870	2.3
55.05516	13.1
57.07074	3.4
65.03932	4.3
67.05173	2.1
67.05509	26.4
69.03433	9.5
69.07073	10.8
69.52760	13.3
71.05000	3.1
73.04742	1.6
79.05500	37.2
81.02998	1.9
81.03417	11.8
81.06646	2.5
81.07067	30.2
82.07410	3.0
83.04994	4.8
83.08614	4.4
85.02910	6.8
91.05464	35.5
93.07050	97.7
95.04983	10.3
95.08620	24.6
97.02891	5.9
97.06536	5.3
99.04414	1.8
105.00139	1.5
105.04514	2.4
105.07040	23.7
107.04974	3.8
107.08601	100.0
109.02874	3.0
109.06526	5.9
109.10175	13.0
111.04438	2.4
111.08135	3.5
115.05434	2.0
117.07040	7.5
119.08607	12.7
121.10144	10.6
123.11742	2.2
127.03966	3.0
127.31475	1.4
128.08235	7.0
129.06999	4.8
131.08563	12.5
133.06509	2.6
133.10141	13.3
135.11702	47.8
137.09592	2.0
137.13370	2.4
143.08603	5.8
145.10136	10.1
147.11703	5.9
149.13237	3.1
153.12836	2.1
155.08617	1.9
157.10167	6.8
159.11693	8.6
161.13301	5.1
163.07664	1.7
169.10106	3.1
171.11725	4.5
173.13274	5.7
175.14857	2.2
183.11765	2.3
185.13333	2.6
187.14842	3.1
197.13310	2.2
199.14902	2.1
259.20532	2.0
261.22189	2.7
276.20465	2.4
277.21588	2.1
283.14691	1.7
303.23218	3.4
315.23465	2.1
355.06995	3.7
369.24429	5.5
387.25494	4.1
392.20068	2.1
405.26569	2.7
448.18558	5.3
449.22998	2.3
460.21603	1.8
462.20145	3.1
476.21988	2.1
477.22446	12.5
478.23334	3.9
532.24182	3.4
550.25354	5.4
610.27417	58.0
610.45258	7.5
611.27631	2.3
636.06647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.1
55.01862	8.6
55.05299	2.6
55.05518	29.6
57.03444	7.1
57.07082	13.6
64.30318	2.4
65.03949	3.7
67.05510	94.6
69.03439	43.9
69.07077	31.6
71.04994	8.3
71.08634	6.0
79.05502	41.7
81.03425	54.9
81.06577	5.0
81.07062	100.0
83.04975	7.3
83.08625	17.0
85.02908	30.9
85.06523	4.6
91.05471	49.4
93.07056	47.7
95.05005	12.5
95.08617	72.2
95.15518	2.5
95.42156	2.3
97.02891	29.2
97.06535	7.4
97.10168	10.1
99.04475	6.3
99.08096	4.5
103.03931	4.8
105.07032	33.6
105.74976	2.9
107.04964	6.0
107.08608	28.7
108.04504	7.6
109.02914	14.4
109.06534	10.5
109.10162	29.2
111.04428	6.7
111.08086	3.5
111.11715	2.9
115.05499	3.1
117.07028	12.8
119.04944	14.8
119.08610	30.0
121.06557	3.3
121.10175	22.6
123.04447	4.3
123.08071	3.7
123.11723	13.8
125.09612	2.9
127.03915	13.9
128.06294	2.9
129.07010	7.8
131.04948	3.2
131.08543	15.4
133.06454	6.5
133.10123	20.1
135.07997	4.6
135.11716	12.2
136.05197	3.7
136.70483	2.4
137.05997	3.9
137.09593	3.6
137.13245	8.4
139.11168	3.3
141.06938	3.3
143.08574	9.6
145.06535	4.4
145.10165	17.9
147.08026	4.5
147.11728	12.3
149.09631	3.5
149.13283	10.8
151.07558	46.2
151.11154	4.5
155.08543	3.9
157.06491	5.7
157.10149	7.1
159.08070	6.5
159.11700	10.1
161.13263	12.1
161.86906	3.0
163.07535	6.7
163.14827	10.1
165.09169	13.0
165.12683	3.4
167.14345	4.7
171.08119	2.6
171.11736	4.1
173.09639	4.9
173.13335	7.2
175.07556	4.5
175.14824	10.4
177.16319	2.7
179.07021	4.8
179.21298	3.0
183.08122	3.4
183.11786	3.9
185.13213	2.9
187.14825	4.8
189.09171	5.9
189.16405	5.1
193.08597	19.6
197.13289	3.4
199.14890	4.8
201.16425	4.0
205.12500	3.0
207.13719	4.2
215.14275	3.1
217.08684	3.2
223.14941	3.1
231.10135	3.4
235.09729	7.9
245.15561	2.9
245.22691	6.6
247.17018	3.2
259.09674	22.5
261.22256	8.4
263.23734	15.6
277.10748	23.9
291.23151	3.9
293.24866	7.9
303.23251	7.3
305.24747	10.5
311.23737	3.2
317.24771	5.2
321.24249	5.0
325.25394	5.3
329.24768	5.3
343.26324	5.8
347.25848	4.3
353.24838	8.4
371.25824	30.6
389.26880	27.6
407.27896	25.9
425.28757	4.6
557.33960	4.9
592.43915	4.2
610.27893	3.1
610.45917	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01874	1.6
55.05515	15.5
57.03453	4.4
57.07063	2.4
60.12386	0.7
62.22301	0.8
65.03948	1.6
67.05511	27.7
69.06715	1.3
69.07070	13.0
69.42713	4.4
69.43121	1.6
70.18359	0.8
71.05016	1.1
79.05499	18.0
81.06584	1.4
81.07062	26.1
83.04983	1.3
83.08619	8.5
85.06551	2.0
91.05482	17.2
93.07051	18.6
95.04941	1.6
95.08048	1.6
95.08617	22.5
95.90706	0.9
97.06527	1.9
97.10182	3.4
99.08104	1.3
103.05480	1.0
105.07040	16.7
107.08603	13.0
109.06525	1.8
109.10177	9.0
111.08076	1.8
112.80129	0.9
115.05458	1.6
115.08994	0.8
117.07008	9.9
119.08601	17.3
121.06514	1.0
121.10160	8.0
123.08116	1.4
123.11738	2.9
125.09676	1.9
128.06233	2.8
129.07005	11.8
130.07816	0.8
131.08595	14.2
133.10146	11.4
135.11665	4.0
137.06058	0.8
137.13254	1.2
141.06985	7.0
142.07788	3.0
143.08571	14.4
145.10135	16.5
147.11705	7.5
149.13281	2.6
153.07001	2.2
154.07698	1.9
154.12808	0.8
155.08568	16.7
156.09334	2.3
157.10136	16.4
159.11710	11.4
161.13287	3.6
163.14877	1.5
165.07014	2.0
167.08595	7.1
168.09349	1.8
169.10143	19.1
171.11694	13.0
173.13275	5.8
175.14874	2.4
177.16441	0.9
179.08592	3.1
180.09338	1.3
181.10117	11.1
182.10994	2.0
183.11713	17.0
185.09592	1.1
185.13269	11.3
187.14876	5.2
189.16431	1.0
193.10246	4.3
194.10968	1.2
195.11700	11.8
195.13365	0.8
196.12270	1.0
197.13277	15.4
199.14803	7.4
201.16365	1.8
205.10152	1.3
207.11713	4.0
209.13257	10.7
211.12990	1.5
211.14824	10.2
213.16492	3.8
215.17969	1.9
217.19466	0.8
221.13271	3.3
223.14835	6.1
225.16359	6.8
227.18138	4.9
233.13341	1.3
235.14819	3.7
237.16327	5.7
238.17023	0.9
239.18063	3.8
241.19609	2.6
247.14894	1.8
249.16464	1.3
251.18065	3.1
253.19542	2.2
255.21161	1.1
261.16531	0.8
263.17984	2.0
265.19492	1.9
267.21069	1.2
269.19055	1.1
269.22946	0.9
279.21069	1.3
281.22751	0.9
285.37155	0.9
295.20648	0.9
309.22134	1.4
311.23752	1.0
313.25073	1.1
321.22327	1.8
323.23712	1.9
325.21613	1.2
337.24890	1.8
339.23315	1.6
341.24670	1.2
347.23740	1.1
349.25244	1.6
351.26953	3.0
353.24612	1.0
361.25372	1.1
365.28497	2.0
377.28635	1.2
379.25998	1.3
393.31674	1.5
405.31998	1.0
423.32523	1.2
429.31863	1.0
447.32330	1.8
449.34119	1.6
499.39420	2.7
517.40417	13.9
521.36230	1.3
523.80652	1.0
535.41504	8.4
539.37097	2.5
553.42230	1.5
567.39111	1.3
573.42957	2.6
591.44049	17.0
609.45148	100.0
610.45593	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	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03934	1.8
55.01869	1.7
55.05265	0.8
55.05514	12.5
57.03447	3.5
57.07068	1.7
64.85772	0.5
65.03935	0.7
67.05508	21.7
69.03437	0.7
69.06722	0.8
69.07072	11.7
70.44583	1.1
71.04982	1.0
79.05064	1.0
79.05500	14.8
81.07063	21.5
83.04993	1.1
83.08621	6.9
85.06548	1.1
91.05484	14.8
93.06466	1.0
93.07050	16.6
95.04945	1.6
95.08614	19.3
97.06540	2.1
97.10188	3.8
98.20911	0.9
99.08107	0.7
103.05441	0.5
105.07033	13.6
107.08595	11.3
109.10160	7.2
111.08082	1.0
115.05460	1.7
117.07021	7.6
119.07790	1.1
119.08591	14.5
121.06538	0.6
121.10149	7.4
123.08092	1.2
123.11720	2.6
125.09632	0.9
128.06198	2.5
129.07014	10.2
130.07750	0.8
131.08575	12.8
133.10132	9.5
135.11726	3.4
136.12090	0.6
137.13257	0.8
141.06987	5.9
142.07768	2.6
143.08569	13.0
144.09319	0.9
145.10135	12.5
147.11703	6.3
149.13283	2.4
151.14833	0.6
153.06956	1.1
154.07800	1.9
155.08557	10.9
156.09363	2.2
157.10138	14.4
159.11716	7.7
161.13269	3.8
163.14850	1.1
165.07037	1.4
166.07834	0.8
167.08600	5.7
168.09410	1.9
169.10133	15.9
170.10843	1.3
171.11693	12.4
173.09630	0.6
173.13284	7.2
175.14871	1.8
177.16483	0.9
179.08560	2.5
180.09372	0.9
181.10120	7.0
182.10971	1.8
183.11711	14.0
184.12381	0.6
185.13272	8.3
187.11244	0.6
187.14870	3.7
189.16403	1.1
192.09302	0.9
193.10106	3.6
194.10864	1.1
195.11699	7.9
196.12511	0.9
197.13274	9.9
199.14838	6.1
201.16423	1.2
205.10175	0.8
207.11703	3.2
208.12383	0.7
209.13274	7.5
210.14027	0.8
211.14848	7.7
213.14746	0.8
213.16411	4.0
215.17949	1.2
219.11652	0.9
221.13219	3.3
222.14046	0.6
223.14801	5.4
223.16750	0.7
225.16360	4.8
227.18112	3.0
229.19591	0.5
233.13217	1.3
235.14873	2.3
237.16397	3.5
239.14265	0.7
239.18076	3.3
241.19659	1.6
247.14865	0.9
249.16429	2.0
251.17989	2.6
253.19574	1.6
261.16382	0.9
263.17926	0.9
264.18604	0.6
265.19629	1.5
267.21127	1.4
277.19565	1.1
279.21149	1.4
281.22812	0.6
283.20490	0.7
293.19061	1.1
293.22409	0.7
295.20480	1.0
297.22101	1.0
299.20346	0.6
299.23633	0.7
309.22107	1.4
311.20215	0.9
311.23672	0.7
313.21793	0.8
319.24036	0.6
321.22287	1.0
323.23615	1.1
325.21722	0.8
325.25388	1.0
333.22134	0.6
335.23587	0.9
337.25262	1.6
339.26746	1.3
341.24658	0.6
347.23557	0.7
349.25476	1.2
351.26953	2.2
353.24942	1.2
355.26572	0.8
363.27032	1.3
365.28528	1.8
367.26462	0.7
369.27878	0.7
377.28522	0.9
379.30164	0.8
391.30173	1.0
393.31461	1.1
405.31900	0.6
417.31644	0.5
421.31055	0.7
435.32593	1.5
447.32733	1.4
449.34659	0.8
467.35327	0.7
473.33157	0.6
499.39374	2.0
501.36261	0.7
513.36761	0.6
515.37378	0.8
517.40436	12.7
521.36237	0.9
527.37164	0.7
535.41473	6.6
539.37408	1.4
540.38165	1.1
553.42535	1.6
555.41931	0.8
565.42566	0.6
571.20605	0.5
573.42963	1.7
591.44043	13.8
609.45142	100.0
610.45520	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.92573	0.7
53.03942	2.8
55.01866	2.2
55.05514	11.8
57.03427	2.9
57.07066	1.8
58.94811	0.8
59.60633	0.7
62.94819	0.8
65.03940	2.0
67.05507	27.9
68.82456	0.7
69.03437	1.2
69.07076	14.2
71.04991	1.2
71.45140	0.9
79.05495	19.9
81.07062	26.1
83.04993	2.0
83.08641	5.9
85.06544	1.5
91.05481	22.3
93.07047	20.9
95.04968	2.7
95.08614	23.2
97.06541	3.4
97.10177	3.2
99.08136	0.9
103.05483	0.9
105.04527	1.4
105.07040	18.6
107.08601	14.2
109.06574	1.5
109.10164	9.9
111.08095	1.0
117.07031	11.5
119.08591	16.9
121.10159	7.2
123.08069	0.8
123.11712	2.7
125.09657	1.8
128.06258	2.6
129.07011	10.3
131.08582	16.1
133.10130	13.0
135.08086	1.1
135.11713	6.1
137.09698	0.8
141.07001	4.2
142.07837	2.9
143.08566	12.9
145.10130	16.1
147.11705	6.6
149.09660	1.5
149.13280	3.1
151.11130	1.0
153.07005	1.8
154.07813	1.2
155.08553	9.3
156.09338	1.9
157.10130	13.8
159.11699	11.0
161.13297	3.3
163.11240	2.2
163.14835	1.3
165.07059	1.0
166.07881	0.9
167.08600	3.4
169.10135	11.9
170.10909	1.0
171.11705	9.8
173.13255	5.9
175.11237	0.9
175.14839	2.4
179.08594	1.9
179.14342	1.3
181.10127	8.9
182.10977	0.9
183.11703	10.5
185.13278	8.5
187.13408	0.9
187.14890	3.5
189.16429	1.5
193.10190	2.1
194.10950	1.2
195.11685	6.1
195.20361	0.8
197.13274	10.8
199.14841	5.9
201.16455	1.4
203.43405	0.8
204.23213	0.8
205.10114	0.9
207.11755	2.3
209.13353	7.3
211.14838	6.9
212.15543	0.8
213.16400	3.8
215.18027	1.1
221.13226	1.5
223.14833	3.6
225.16440	3.5
227.18030	1.8
229.19637	1.0
235.14911	1.9
237.16418	2.9
239.18030	2.8
241.19601	0.9
247.14793	1.0
249.16437	0.9
251.18063	1.4
257.19098	1.5
259.20633	1.0
265.19580	1.1
275.20187	4.9
309.22113	1.6
325.25504	1.1
331.22913	0.9
335.26279	1.1
337.25208	1.9
349.25436	2.0
351.26974	2.1
353.24731	1.2
363.26727	1.0
365.28540	1.6
377.28500	1.0
385.27802	0.8
395.48148	0.9
405.31918	1.4
429.31635	1.1
433.30704	1.3
435.84302	0.9
441.22321	0.9
441.29666	0.9
447.32632	1.9
483.34402	1.2
499.39749	1.4
517.40582	8.2
521.36304	1.1
535.41718	5.0
539.37402	2.2
573.43182	1.3
591.44183	8.7
609.45148	100.0
610.45618	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03937	0.5
53.95567	0.4
55.05501	0.7
66.59436	0.4
66.94542	0.4
67.05518	2.0
69.07072	0.9
69.35601	0.5
69.35942	3.7
79.05493	2.2
81.07050	3.0
82.41037	0.4
83.08588	0.4
91.05494	1.6
91.77881	0.4
93.07062	2.0
95.04976	0.6
95.08621	1.8
101.76157	0.4
102.01975	0.4
105.07027	1.8
107.08607	1.0
109.10170	1.1
117.07063	0.5
119.08587	1.9
121.10139	1.1
131.08588	0.9
133.10153	1.0
135.11711	0.8
143.08609	0.7
145.10179	1.7
147.11719	0.5
149.09673	0.6
151.14862	0.4
157.10144	0.9
159.11713	1.4
161.13206	0.6
169.10150	0.7
171.11685	0.7
181.10147	0.6
207.13885	0.5
227.39308	0.4
257.18985	0.6
275.20251	0.9
279.49960	0.4
349.56128	0.4
391.19174	0.7
391.28864	0.5
405.20981	0.8
414.18637	0.7
415.19357	1.3
416.20224	0.5
418.22012	0.7
419.17963	0.8
419.22571	1.4
420.23282	0.5
428.20032	0.7
429.20938	2.8
430.21646	1.2
431.18463	1.2
432.19348	0.6
433.25092	2.0
434.21750	0.5
435.21997	0.6
443.22452	1.5
444.18204	0.6
444.23227	1.5
445.24753	0.8
446.21259	0.5
447.17230	0.8
447.22076	1.7
448.22556	0.6
449.23624	1.5
455.18588	0.4
458.25247	0.5
459.21310	4.7
460.22726	2.7
461.19531	2.9
461.23907	2.5
462.19699	1.9
463.20908	0.9
471.21970	0.6
472.22665	2.2
473.23474	1.4
475.21323	1.3
476.21869	3.3
477.23077	2.3
485.23599	0.9
487.25168	3.4
489.22775	1.7
490.23441	0.7
492.25287	0.8
503.24237	1.4
505.26453	0.6
515.24866	0.5
519.23773	2.2
521.21552	3.3
531.23932	21.1
532.24548	1.4
549.25018	14.4
549.31470	0.3
550.25677	0.7
591.25903	3.5
608.44135	0.8
609.27063	100.0
609.44550	3.0
610.27582	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03941	0.5
55.05505	1.2
55.79946	0.4
57.03450	0.5
57.05787	0.4
60.85493	0.4
67.05517	3.0
69.07062	1.4
69.62406	1.0
69.62816	1.8
79.05508	2.5
81.07069	2.9
91.05496	2.3
93.07047	2.6
95.04977	0.7
95.08620	2.3
102.56863	0.5
105.07038	1.8
107.08601	1.7
109.10167	1.0
117.07037	2.0
119.08615	2.0
121.10177	1.1
123.11815	0.5
129.06993	0.8
131.08594	1.3
133.10161	0.8
135.11725	1.3
143.08615	0.5
145.10135	1.6
147.11714	0.6
157.10179	0.7
159.09624	0.4
159.11714	1.8
161.13321	0.5
209.10721	0.7
210.11574	0.5
223.12383	0.7
235.12532	0.4
237.13953	0.5
238.14528	0.5
239.17924	0.9
251.15642	0.4
257.19128	1.0
275.20047	0.7
285.12616	0.4
320.39865	0.4
331.22614	0.5
335.26154	0.7
357.35535	0.4
374.16550	0.4
375.17142	0.5
376.16989	1.1
377.17737	1.2
378.18704	0.5
387.16376	0.5
388.17706	0.7
389.18500	1.4
390.18784	1.5
391.19177	2.9
392.20108	1.6
393.20709	0.6
400.17029	0.9
401.17896	1.0
403.19827	1.0
404.20691	0.9
405.21063	4.5
406.21680	2.9
407.22400	3.5
413.17606	1.2
414.18634	1.0
415.19431	2.6
417.21170	1.0
419.17749	2.1
419.23190	0.8
420.23325	0.9
421.24002	5.4
422.24634	0.5
427.19147	1.5
428.20541	0.7
429.21027	3.4
429.40750	0.4
430.22021	1.9
431.18481	1.0
432.19556	1.4
433.20151	2.1
434.21078	0.8
435.21707	1.0
438.20917	0.5
442.21719	0.8
443.22357	1.2
444.23065	1.1
445.20416	1.6
446.21255	0.7
447.17480	3.3
448.18387	0.6
449.23434	1.8
452.22122	0.8
457.24362	3.1
458.25809	0.5
459.21954	3.3
460.22797	1.8
461.19287	6.5
462.20322	2.8
463.20810	2.0
465.22562	0.6
471.18097	0.9
472.22736	1.9
473.19455	0.8
474.20493	1.4
475.21082	9.4
476.21948	9.3
477.22629	5.7
478.23611	0.9
479.24521	0.7
485.23663	11.0
486.19940	3.3
487.20856	1.1
488.22311	1.3
489.23013	5.9
491.24350	0.6
493.22275	1.0
494.26801	0.9
497.23764	1.2
499.21249	3.1
500.22211	2.1
500.29614	0.4
501.22781	0.7
502.23938	0.8
503.24506	7.6
504.24402	1.6
513.22845	1.3
515.24457	8.7
517.22412	1.0
521.26349	3.2
531.23969	18.6
535.23706	1.1
541.22375	0.7
548.24280	0.9
549.25122	2.4
550.25745	5.3
559.23462	9.0
565.82501	0.5
577.24408	2.3
591.26105	34.6
592.26526	0.7
609.27106	100.0
609.44525	2.8
610.27563	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	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
64.47221	0.3
67.05502	0.9
71.15080	0.7
79.05499	0.7
80.92406	0.3
81.07050	1.0
91.05477	1.0
93.07039	0.9
95.08607	0.7
97.06566	0.4
105.07034	1.0
109.10148	0.6
109.90282	0.3
118.33707	0.3
131.08591	0.5
133.10092	0.3
145.10190	0.5
149.09578	0.4
159.11725	0.5
169.67500	0.3
179.14357	0.4
183.11798	0.4
192.61844	0.4
208.68649	0.3
209.10573	0.3
237.13887	0.6
239.15242	0.4
251.15359	0.3
376.17050	0.8
377.17596	1.0
378.18793	0.5
389.18628	1.2
390.18808	1.0
391.18970	1.9
392.19946	1.8
393.20657	0.5
400.17114	0.5
401.17679	0.9
403.19659	1.3
404.20392	1.2
405.16519	0.4
405.20914	3.1
406.21539	2.1
407.22342	3.4
414.18564	0.9
415.19278	1.5
416.20425	0.6
418.21786	0.6
419.18167	1.0
419.22534	1.2
420.23395	0.7
421.23926	4.5
429.21063	1.8
430.21927	0.8
431.18378	0.7
431.23105	0.5
432.19409	1.1
433.20065	1.6
433.24377	1.1
435.21921	0.6
443.22760	0.5
444.23288	0.9
445.20267	1.1
447.17279	2.2
448.18732	0.4
449.23438	1.0
452.21735	0.4
457.24228	1.1
459.22400	1.6
460.22531	1.4
461.19144	4.9
462.20358	2.2
463.21262	1.4
465.22830	0.5
470.21649	0.5
472.23224	0.5
473.19193	0.6
474.20294	1.6
475.21121	7.8
476.21878	6.7
477.22433	5.0
478.24088	0.6
479.24597	0.5
485.23590	6.0
486.20215	2.0
487.20486	0.5
487.25330	1.0
488.22217	1.2
489.22955	5.8
490.20038	0.5
493.22238	0.6
494.26624	0.6
499.21323	3.3
500.22415	1.1
503.24545	6.6
504.20905	0.6
504.25790	1.0
507.23685	0.9
513.22888	1.4
515.24463	5.8
517.22296	1.7
518.23303	0.4
521.26514	2.2
531.23956	8.7
532.24939	0.4
535.23578	1.1
541.22278	0.5
549.25037	2.3
550.25763	4.1
559.23431	5.2
563.26471	1.4
577.24347	2.3
591.26013	14.5
609.27087	100.0
610.27606	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	607.2911
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.42498	0.4
56.57385	0.4
66.29529	0.5
88.57508	0.5
112.71391	0.4
145.39540	0.4
176.74681	0.4
184.47705	0.5
213.44662	0.5
387.16306	1.2
388.16614	0.6
389.17725	1.5
390.18854	0.6
401.17950	1.1
402.18338	1.8
403.19351	3.8
404.20099	1.6
405.20724	2.8
406.21793	0.5
415.19394	1.2
416.20126	1.4
417.16763	1.3
417.21329	6.5
418.21838	2.4
419.22318	6.0
426.00705	0.5
429.16821	0.6
430.17969	1.9
430.22736	0.6
431.18289	10.3
432.18893	2.6
433.24133	9.7
434.25012	0.7
444.19345	1.0
445.19922	13.6
446.20926	5.4
447.21921	5.1
457.20291	0.7
458.21127	0.6
459.21576	5.5
460.22534	11.1
461.23343	9.3
472.22995	0.5
473.23645	3.4
474.24252	0.7
477.22763	0.9
487.24863	1.4
489.22641	0.5
491.25070	0.9
505.21591	2.3
515.24030	0.8
517.22363	0.6
519.24127	1.6
547.27075	22.0
548.27417	0.5
573.92206	0.4
575.25952	0.5
607.29156	100.0
608.29547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01862	1.2
55.05501	0.4
65.03929	1.4
65.64732	0.3
67.05495	0.9
68.99780	2.4
69.03430	1.2
71.55943	0.5
73.02918	0.4
81.03406	0.7
83.04979	1.4
85.02900	1.6
93.03391	1.2
95.04994	0.9
97.02890	1.0
98.97585	0.8
105.07049	0.7
107.04961	0.6
111.04447	5.7
111.05195	0.5
115.05443	0.7
116.98628	0.7
121.02882	0.7
123.04440	4.0
127.03913	1.1
131.04852	0.4
133.02803	0.4
135.04457	0.9
136.06226	0.7
139.03909	100.0
140.04286	0.7
141.95711	0.4
143.04909	0.5
147.04404	1.1
149.02501	0.4
151.03906	7.2
153.05515	0.8
159.04405	0.6
161.06013	1.2
162.05432	0.3
163.02554	0.7
163.03923	13.2
165.05481	1.0
167.03372	0.5
167.07056	1.2
169.05026	0.8
171.04437	1.2
173.06007	0.7
175.03915	1.0
177.05498	1.5
179.03473	2.0
181.04988	2.7
183.04404	0.6
185.06001	0.9
187.03955	1.5
189.05481	3.8
191.03413	0.8
193.04950	0.5
197.06088	0.7
199.03954	1.7
201.05557	0.9
203.03398	2.1
205.04947	1.7
207.03003	0.8
209.04424	0.4
209.08040	0.4
211.04021	0.5
213.05496	1.5
215.03461	0.8
217.04997	3.3
225.05663	0.4
227.03377	0.8
229.05032	1.5
231.02905	0.4
233.04471	1.1
235.05995	0.4
237.03619	0.5
241.05035	0.8
245.04492	2.5
253.04933	0.5
255.02872	0.8
255.06535	0.9
257.04498	2.9
259.06052	1.2
261.03912	0.8
265.05273	0.6
269.04507	0.9
271.06146	0.6
273.03949	1.5
275.05637	0.4
279.06479	0.6
281.04440	0.8
283.02524	1.0
283.05988	0.5
285.03915	0.8
287.05573	1.4
293.04495	0.4
295.06128	0.4
297.04031	0.5
299.05469	0.6
303.06827	0.5
311.05328	0.7
319.06155	0.7
321.04272	0.6
321.07703	0.7
325.07062	0.4
331.05884	0.6
347.05591	0.5
349.07220	1.0
367.08038	0.9
373.07092	0.4
375.04874	0.8
377.06653	1.2
385.09436	1.0
393.05969	2.0
395.07843	2.1
405.06140	2.4
406.06818	0.5
407.07645	1.6
411.07288	0.7
413.08682	2.6
417.06204	1.0
423.07098	3.5
425.08633	0.5
429.05713	0.5
435.07294	0.7
441.08356	1.4
447.07092	0.8
453.08017	0.7
465.08371	2.5
486.05908	0.4
499.10803	0.5
545.10327	0.8
546.50208	0.4
555.09021	1.2
573.10175	4.3
591.11285	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.182
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
52.17202	1.0
53.03960	1.3
57.03442	5.8
70.60558	1.9
70.60908	2.1
71.05001	32.3
75.04481	1.4
83.05000	1.5
85.02913	38.8
91.66232	1.0
120.24356	1.1
121.02943	1.0
123.04442	2.0
129.05495	6.8
139.03935	7.5
149.05995	3.1
151.03888	5.5
163.03864	2.1
165.01871	5.4
167.03453	1.9
175.03983	1.0
177.01881	1.5
181.97435	1.1
183.02869	2.4
195.02875	2.1
205.04930	1.7
220.83162	1.3
233.04584	1.7
243.06458	1.2
261.03949	5.4
271.06052	1.9
273.03970	1.4
282.05258	4.9
286.04889	1.5
296.06830	7.0
297.07660	4.4
298.04675	15.5
299.05566	1.8
300.06366	5.9
301.07120	6.2
310.04752	5.2
310.08481	4.2
311.05911	1.6
311.08990	5.6
313.07089	99.6
314.07687	9.0
320.06976	1.6
324.06326	11.6
325.07065	8.3
325.10440	1.9
327.08630	2.1
328.05789	16.8
336.06128	1.8
337.07022	2.4
338.07791	6.2
339.04922	1.9
339.08594	17.2
343.08148	100.0
344.08722	2.0
353.10175	15.3
355.08231	2.0
363.08762	2.4
364.05621	3.2
366.07230	1.6
367.08148	51.6
376.05817	2.0
379.08145	12.1
381.09799	2.2
386.56439	1.1
391.08188	10.5
394.06766	2.9
397.09247	35.8
409.09229	23.4
410.22968	1.1
427.10306	27.5
445.11359	52.4
446.11365	2.2
463.12430	47.9
464.12512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.02405	0.5
54.07769	0.5
55.05458	0.9
60.33618	0.5
67.05407	1.7
67.05731	0.6
69.07012	1.0
69.26691	4.6
79.05407	1.6
81.06956	1.9
81.07378	0.6
88.54546	0.5
91.05387	1.8
93.06947	1.6
95.04914	0.7
95.08519	2.0
105.06922	2.2
107.08504	0.9
109.10062	0.9
117.06926	0.6
119.08481	1.8
121.10083	0.9
123.11649	0.6
131.08472	0.9
133.10068	0.8
135.08002	0.5
135.11612	0.9
145.10036	0.9
147.11584	1.1
150.46350	0.5
159.11610	1.4
171.11497	0.9
275.20007	1.2
327.78207	0.6
373.14508	0.8
374.15338	0.7
375.16208	1.2
387.16547	0.6
388.16833	1.0
389.17636	4.1
390.18372	1.7
391.19348	1.4
401.18112	1.0
402.18710	1.2
403.14468	0.6
403.19562	5.7
404.19962	2.9
405.20807	2.7
416.16266	2.1
417.17026	4.9
417.21030	3.3
418.17130	1.2
418.21790	1.5
419.22519	8.6
420.23059	0.9
429.16830	0.9
430.17892	2.2
431.18228	10.3
431.23386	0.7
432.19116	4.2
433.19995	3.0
434.21030	0.6
444.19693	0.7
445.20209	8.4
446.21149	8.8
447.21817	13.2
459.17859	2.1
459.22748	1.4
460.18536	0.8
461.19821	1.5
463.25586	1.0
473.19696	1.8
474.20563	12.7
475.21222	12.9
487.21249	2.4
488.21783	1.1
490.23566	1.3
491.21017	2.3
501.22928	2.0
504.21399	0.7
505.22665	0.8
519.24127	13.5
529.22247	0.6
546.69519	0.6
547.23419	75.9
548.23749	2.1
561.24683	1.7
579.26019	4.6
589.24756	1.4
607.25531	100.0
608.25873	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	605.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16146	1.0
56.96572	1.7
58.99854	1.5
64.52518	0.9
68.24672	1.1
69.03428	2.7
70.39671	2.8
70.40030	1.9
73.02886	1.3
77.00925	1.4
81.03418	2.1
82.99841	1.8
85.02905	4.9
92.20760	1.1
97.02868	1.4
98.34078	1.1
98.97581	5.9
101.00877	13.5
109.19939	1.0
113.00887	4.7
115.02440	3.8
116.98645	3.2
119.01929	32.6
123.04448	2.7
127.03923	3.0
129.04091	1.3
131.01912	17.6
131.05600	5.8
133.03470	7.0
135.04434	1.6
137.02979	2.7
137.05986	1.3
139.03923	7.8
143.01909	68.8
145.03448	7.1
147.01424	1.7
147.05127	2.6
149.02998	2.1
149.06618	7.5
153.05528	4.5
155.01895	24.0
155.03082	1.5
155.05548	2.4
156.02791	1.8
157.03517	4.4
159.05069	3.4
161.02968	77.9
161.34631	1.2
162.03087	1.8
163.03934	2.5
167.07076	1.5
171.05043	2.2
173.02986	22.6
173.04478	1.1
173.06604	23.5
175.04568	3.4
177.00873	1.3
177.06076	5.2
179.07039	1.1
184.04567	2.7
185.02995	2.2
185.06610	29.3
185.08176	2.0
187.08131	5.6
191.07643	6.3
197.06636	1.4
199.04559	1.6
199.08186	1.6
201.06174	1.6
203.04066	7.0
203.07657	14.1
215.07701	13.5
219.01784	1.6
221.05083	20.7
223.04518	5.9
227.07672	3.4
233.08760	3.1
235.04584	4.9
237.02797	2.9
237.06117	2.3
241.05510	1.4
245.05013	1.5
247.04564	4.9
251.04160	1.8
257.08667	6.7
258.64960	1.2
263.04196	2.4
265.05746	3.3
269.04932	2.4
275.04208	2.3
275.09756	36.0
277.05707	1.8
281.04984	5.4
293.05231	8.1
293.10825	100.0
294.11105	3.0
311.06119	2.7
316.12613	3.2
335.12097	1.6
347.12155	1.9
353.07214	3.2
354.07181	2.2
371.08392	3.0
389.09375	2.8
398.01682	1.3
425.12988	1.3
428.91318	1.4
437.15027	7.7
443.14227	3.6
587.17889	1.9
605.19299	78.1
606.19385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.96553	0.2
64.14097	0.2
66.68340	0.2
67.05521	0.2
69.07063	0.3
70.74741	0.3
70.75082	0.6
75.15309	0.2
79.05495	0.3
81.07057	0.3
89.13662	0.3
93.07057	0.4
95.08599	0.3
107.08532	0.3
109.10158	0.4
121.10158	0.2
195.09210	0.3
196.13815	0.2
209.10771	0.4
224.13139	0.2
248.82126	0.2
312.14899	0.2
324.14990	0.3
356.70374	0.2
369.95444	0.2
372.15118	0.3
373.14737	0.5
374.15381	0.4
375.16147	0.9
376.17218	0.3
377.17554	0.3
387.16281	0.5
388.16907	1.1
389.17688	2.9
390.18521	1.3
391.19330	1.3
401.13388	0.4
401.17899	0.9
402.14218	0.5
402.19254	1.0
403.19537	4.8
404.16159	0.2
404.20114	2.3
405.20862	3.3
406.21475	0.4
415.15179	0.5
415.19482	0.7
416.15662	1.3
417.16293	4.4
417.21259	1.6
418.17667	0.9
418.21631	1.1
419.22513	6.1
420.23181	1.1
429.17163	0.7
430.17215	1.1
431.18271	7.7
432.19183	3.1
433.20145	4.1
435.21841	0.4
443.18774	0.3
444.19867	0.3
445.20233	4.8
446.21011	7.6
447.21750	8.8
448.22925	0.5
458.21237	0.3
459.17593	0.9
459.22092	1.6
460.17993	1.0
461.19653	2.1
462.24338	0.7
463.20322	0.4
463.25772	0.6
473.19373	0.8
473.23758	1.0
474.20425	6.0
475.21066	5.3
476.21619	0.8
477.23068	0.9
478.23581	1.0
487.21411	1.7
488.22116	0.5
489.22180	0.3
490.24228	0.5
491.19962	3.2
501.22845	0.9
502.23654	0.3
503.24448	0.3
504.21661	0.5
505.22357	0.9
506.23535	0.5
518.22986	0.3
519.24127	15.7
520.24219	0.9
532.21124	0.2
533.26050	0.3
547.23438	13.2
548.24030	1.1
551.26746	0.5
575.22968	0.5
579.26111	6.0
580.25964	0.3
589.24512	0.3
607.25537	100.0
608.25854	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55281	0.2
59.34116	0.2
61.00233	0.3
66.60025	0.3
67.83831	0.3
70.85357	0.6
78.04702	1.0
79.05476	0.8
80.19608	0.3
81.03414	0.3
81.07061	0.2
85.02899	0.4
91.05466	0.9
93.07045	0.4
95.04955	0.5
101.35493	0.3
105.07032	0.8
106.04185	0.4
107.04948	1.5
109.02818	0.3
119.04910	0.4
121.06493	0.6
123.04417	3.2
124.05215	1.0
128.86186	0.3
131.04967	0.3
133.06502	0.8
134.03622	0.3
135.04398	0.3
137.05984	0.5
149.05946	0.6
151.03940	0.6
152.04688	0.8
161.05983	0.4
163.07507	0.4
167.07048	100.0
168.04164	0.4
168.07352	0.6
178.08540	0.2
179.06992	0.6
181.08566	0.7
184.29411	0.3
193.08615	4.6
195.10126	0.3
207.06514	0.3
211.09665	16.5
213.11256	1.8
249.04430	0.3
259.88470	0.2
271.95676	0.3
396.51483	0.3
470.94342	0.3
602.24945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92130	0.8
51.76592	0.8
69.64893	2.0
69.65304	4.0
82.99879	1.0
85.02881	1.2
97.02881	1.5
98.21538	1.0
101.00902	5.7
109.02872	1.2
117.86700	1.0
119.01954	10.6
123.04396	2.1
127.02425	1.9
131.01907	3.8
135.04468	1.0
137.02939	1.1
139.03915	1.3
143.01906	22.2
145.03499	7.4
153.05424	3.2
155.01917	14.9
157.03464	4.5
161.02977	18.4
163.04019	1.1
167.01927	11.1
169.03499	3.2
171.05067	1.9
173.01573	1.6
173.02979	17.8
175.04539	2.4
179.01933	4.9
185.02982	37.1
187.04533	3.1
197.02969	11.8
199.04469	1.4
203.04031	10.0
208.61693	1.0
209.02957	1.8
215.04041	7.5
221.05020	3.1
227.04092	9.4
245.05099	100.0
246.05193	1.8
252.09833	1.2
257.05148	6.5
263.06149	12.2
264.07529	1.0
275.06152	8.4
293.07178	2.9
305.07193	9.4
317.07007	1.0
323.08313	3.1
335.08240	5.0
363.04843	1.1
365.09323	66.4
383.10251	4.1
425.11453	25.2
426.11932	1.5
437.11456	10.5
455.12021	2.6
605.21051	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
58.47417	0.4
61.33026	0.4
68.76653	0.4
69.03414	0.5
71.56239	0.6
75.06012	0.4
78.04711	1.8
79.05504	2.9
82.12464	0.4
85.02912	2.2
91.05479	2.1
93.07019	0.9
93.17627	0.4
95.04978	1.0
95.08612	0.5
97.02896	1.0
98.97587	0.5
103.05486	4.7
105.07032	4.9
106.04189	1.3
107.04968	7.3
115.05452	1.5
117.07030	1.4
119.04960	0.5
121.06525	1.6
123.04444	4.6
124.05224	2.9
125.05973	0.9
129.07028	1.2
131.04939	7.0
131.08588	0.8
133.06516	5.5
135.08040	1.3
137.05995	2.5
141.06985	0.7
143.04890	0.8
143.08630	0.6
144.05656	0.9
145.06522	2.6
145.10199	0.5
147.04420	1.3
147.08087	0.7
151.03952	1.3
151.07574	3.9
152.04732	2.4
153.05463	0.6
157.06477	0.5
158.07312	1.5
159.08076	1.1
160.05269	0.5
161.05995	6.1
163.06310	0.9
163.07573	11.4
165.09061	0.6
167.07054	100.0
168.07404	1.1
173.06004	1.3
173.09622	0.9
175.07568	1.7
177.09084	2.4
179.06972	2.4
181.08598	3.4
187.07585	3.1
189.09189	0.6
192.07774	0.7
193.08617	15.2
195.10133	1.0
201.09126	1.7
203.08633	0.6
205.08620	0.9
217.08685	0.8
219.10172	2.3
227.54099	0.5
233.11745	2.5
235.10959	0.5
237.11185	2.4
251.12839	1.0
263.10626	0.9
283.11899	0.4
291.10193	1.1
323.12878	1.9
327.16461	0.5
348.16632	0.4
355.15408	11.6
372.22971	0.5
387.18039	10.9
405.19138	20.1
406.19424	0.5
408.19223	2.3
413.56970	0.5
423.19717	0.6
602.26202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
59.93419	0.4
71.56494	0.6
75.01380	0.4
78.04722	2.5
79.05499	2.8
81.43023	0.4
91.05479	1.8
95.04950	0.8
103.04986	0.4
103.05486	4.1
105.07039	4.1
106.04185	1.0
107.04974	5.7
115.05465	1.8
117.07010	0.7
119.04962	0.6
121.06513	1.7
122.03687	0.7
123.04459	5.9
124.05238	3.2
128.06326	0.4
129.06996	0.4
131.04935	7.0
133.05734	0.5
133.06525	5.3
134.03682	0.5
135.08058	1.0
137.05997	3.0
141.06996	1.3
144.05742	1.0
145.06502	2.6
145.10136	0.5
147.04454	1.4
147.08113	0.9
149.06024	0.7
151.03909	0.8
151.07567	3.3
152.04698	2.3
158.07297	1.2
159.08043	1.1
161.05995	6.0
163.06148	0.5
163.07564	11.9
167.07060	100.0
168.07404	1.2
170.00577	0.5
173.06038	1.2
173.09607	0.9
175.07515	2.4
177.05563	0.5
177.09172	3.0
178.61864	0.4
179.07040	3.4
181.08598	5.1
187.07547	2.4
191.07153	0.5
192.07814	0.9
193.08629	15.2
201.09088	2.0
203.08627	0.6
205.08650	1.5
206.09276	0.4
207.10156	0.9
217.08607	0.7
219.10202	1.8
224.77324	0.5
231.08075	0.8
233.11815	3.3
237.11302	3.4
251.12756	1.5
263.10794	0.7
272.62665	0.5
295.13260	1.1
323.12778	2.5
355.15439	13.4
387.18091	10.7
405.19107	20.0
406.19550	0.9
423.19556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01865	2.6
55.05514	40.9
57.03431	9.2
57.07076	25.1
59.05001	3.8
65.03975	2.2
67.05505	28.6
68.05843	2.1
69.03403	5.0
69.07073	47.9
71.04983	5.1
71.08629	16.2
71.24773	4.3
79.05491	19.2
81.07058	50.0
83.04980	5.7
83.08623	39.1
85.06560	3.8
85.10187	7.5
89.06019	8.8
91.05488	16.4
93.07051	34.7
95.04968	8.8
95.08044	3.6
95.08611	40.8
97.06535	18.2
97.10169	22.3
99.08056	2.8
103.05441	2.5
105.07030	28.3
107.08601	30.3
109.06517	6.1
109.10159	24.1
111.08080	9.1
111.11737	6.1
117.07028	6.2
119.08585	24.4
120.08980	2.7
121.06531	5.8
121.10153	28.7
122.10503	2.7
123.08055	10.0
123.11733	9.8
125.06040	2.3
125.09656	8.9
128.06215	3.0
129.07019	5.6
130.07849	2.6
131.08592	14.3
133.10124	15.2
135.08063	8.6
135.11707	21.3
137.09608	6.8
137.13257	5.6
139.11194	2.3
142.07813	4.6
143.08580	11.7
144.09312	2.6
145.10127	20.7
146.10513	3.9
147.08031	11.8
147.11670	8.1
149.09634	3.7
149.13271	12.2
151.07547	6.0
151.11150	2.3
153.12750	3.6
155.08595	3.1
156.09323	6.0
157.10164	19.5
158.10666	6.4
159.11713	15.3
160.08800	3.0
161.09587	3.5
161.13304	3.2
163.11227	6.0
163.14850	5.8
165.09138	25.0
166.09517	3.5
167.14313	3.2
169.10190	6.1
170.10811	3.1
171.11716	10.7
172.12212	3.0
173.09630	3.0
173.13213	6.2
175.11205	5.1
175.14821	3.7
179.08502	3.2
181.10167	3.6
181.12228	5.1
183.11713	7.9
184.12086	2.7
185.13202	5.8
187.11198	2.6
187.14754	4.1
189.12750	2.1
190.13037	2.3
193.10031	3.1
193.12164	2.7
195.11705	6.5
196.12170	3.4
197.13206	4.2
198.13669	2.4
201.31917	2.4
203.14371	7.1
207.11729	3.7
207.13776	3.2
208.14238	2.1
209.13376	4.8
209.15202	2.2
210.42155	2.0
211.14821	3.6
219.21086	11.0
221.15372	44.7
222.15758	4.1
225.16246	2.6
234.16068	3.6
237.22157	22.7
247.16980	4.4
248.17389	2.8
255.23203	6.0
286.19156	4.3
287.19760	3.9
299.19962	4.2
311.25778	23.7
312.20602	2.6
325.21512	3.9
326.21918	4.1
329.26871	100.0
352.23941	7.8
353.24179	10.7
366.24823	2.2
473.43521	2.6
487.78183	2.0
491.35257	4.2
491.44232	4.7
509.36002	2.5
520.35126	2.6
521.35950	15.8
565.48151	2.5
583.41437	4.2
583.49335	16.6
601.42755	16.8
601.51849	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46517	2.7
55.05503	9.3
57.07068	12.8
59.04998	4.0
62.42600	3.1
67.05514	18.1
69.03422	12.2
69.07076	13.2
69.76025	4.9
69.76440	14.6
70.80949	2.9
72.27563	2.6
77.39677	2.4
79.05508	25.2
81.07074	26.8
82.07375	2.4
83.04971	6.0
85.06531	5.3
89.06036	3.4
91.05486	35.7
92.05807	2.6
93.07046	46.0
94.07366	3.1
95.04969	13.2
95.08604	27.6
97.06539	4.1
105.07034	50.9
106.07329	4.6
107.08614	27.1
109.06516	13.0
109.10166	17.0
111.08086	6.1
117.07025	10.2
119.07797	3.8
119.08588	44.4
120.08922	7.1
121.06528	4.3
121.10160	27.1
123.08094	20.2
123.11707	6.3
124.08464	3.2
125.05982	5.0
125.09619	4.0
128.06229	5.5
129.07002	11.6
130.07840	5.1
131.08606	24.9
133.06505	4.0
133.08609	3.3
133.10170	24.8
135.08067	17.2
135.11679	11.9
137.09636	13.4
141.07027	5.3
142.07776	10.2
143.08635	17.4
144.09148	4.5
145.10135	43.3
146.10446	5.0
147.08073	23.6
147.11694	13.1
148.08711	2.3
149.09601	10.6
149.13258	4.8
151.07547	11.5
155.08611	6.1
156.09341	5.4
157.10144	22.4
158.10741	3.9
159.08060	3.6
159.11705	23.5
160.12178	3.2
161.09627	7.3
161.13249	9.0
163.11185	15.0
165.09125	42.3
166.07809	3.9
166.09494	5.9
167.08586	4.9
168.09221	5.8
169.10144	13.5
169.34666	3.3
170.10835	6.3
171.11742	18.6
172.12144	3.3
173.09593	4.2
173.13240	9.5
175.11198	9.0
175.14787	5.6
178.07697	3.0
181.10065	7.3
181.12196	9.3
182.10901	3.4
183.11740	13.7
184.12321	3.8
185.13297	11.0
187.11197	5.7
187.14789	5.1
189.12740	8.3
193.07524	3.0
193.10065	3.0
193.12256	4.2
195.11794	14.6
196.12321	5.2
197.13246	11.6
198.13774	3.7
199.11336	3.8
199.14784	5.0
201.12679	5.9
203.14360	18.3
204.14771	7.0
206.10902	3.8
207.11778	4.3
207.13771	7.1
208.14436	3.5
209.13174	8.4
209.15085	3.9
211.14769	5.5
221.13251	6.9
221.15369	100.0
222.15747	14.9
223.14778	7.3
229.16000	2.9
231.30637	2.9
233.13365	4.2
234.16194	3.4
235.14583	3.8
238.13132	3.1
247.16893	6.5
248.17395	4.4
261.16183	3.8
263.17908	3.9
287.19968	5.0
295.20642	2.9
299.19965	5.7
312.20563	5.6
313.21497	4.7
325.21786	3.5
326.22235	3.9
341.24426	3.9
352.23694	9.1
353.24283	10.7
367.26157	6.2
371.83517	3.2
375.26498	3.1
421.30780	3.3
440.29425	4.4
441.29501	12.9
491.34985	8.5
509.36029	4.9
521.35968	18.6
583.41321	5.4
601.42328	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	601.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95933	0.6
60.65878	0.5
71.55644	1.0
85.02918	0.7
91.05494	1.3
115.05415	0.7
117.05751	0.9
117.07038	1.6
118.06558	18.8
123.04447	0.7
130.06552	1.0
132.08113	5.2
139.03912	1.2
142.06532	1.6
143.07317	2.6
144.08104	11.6
146.06021	62.7
147.06325	0.9
151.77411	0.7
159.09192	5.5
160.07605	0.8
170.06035	4.4
180.65111	0.6
188.07082	100.0
189.07434	1.3
205.09741	44.8
245.87433	0.6
311.05911	0.6
465.19107	0.6
601.13208	0.8
601.25537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43889	3.7
53.03943	7.6
55.05513	13.5
57.07078	14.1
57.78915	3.8
59.05006	4.7
65.03947	4.5
67.05507	20.1
68.15682	3.9
69.03431	18.1
69.07075	17.2
73.84309	3.8
79.05504	41.9
81.07064	42.1
82.86618	4.3
83.04972	19.9
83.08612	8.0
85.06545	11.6
91.05492	60.7
93.07047	76.6
95.04977	26.2
95.08620	36.1
97.06520	11.3
103.05470	5.9
105.07035	90.6
107.04976	7.7
107.08602	58.1
107.93764	4.0
109.06520	22.7
109.10178	17.9
111.08099	5.6
115.05495	5.7
117.07030	26.6
119.08588	100.0
120.09340	4.2
121.06535	21.0
121.10158	56.7
123.08100	36.3
123.11695	4.9
125.05999	11.7
125.09643	7.7
128.06221	16.1
129.07001	33.6
130.07825	10.4
131.08577	50.6
132.09352	5.4
133.06519	10.0
133.10136	45.1
135.08073	29.5
135.11690	17.2
137.05997	6.3
137.09624	24.3
139.07547	7.0
141.07014	12.0
142.07802	39.3
143.08582	65.9
144.09349	15.2
145.06525	9.1
145.10139	73.3
147.08054	42.5
147.11674	18.6
149.09634	27.3
151.07527	25.6
153.07024	4.1
155.08568	19.1
156.09383	26.8
157.10135	89.1
157.11311	7.6
158.10895	11.0
159.08081	20.8
159.11691	42.6
161.09590	26.7
161.13313	8.4
162.21024	4.1
163.11176	24.2
165.07034	12.4
165.09099	60.0
166.07788	6.8
167.08624	15.2
167.10704	14.8
168.09363	9.0
169.10153	31.0
170.10896	9.7
171.08147	4.2
171.11714	38.9
171.23845	4.0
172.12509	12.5
173.09645	16.6
173.13264	14.6
175.11208	26.7
175.14786	6.2
176.11853	4.5
177.09084	6.7
179.08571	16.2
179.10654	6.4
180.09351	8.9
181.08720	6.6
181.10178	20.0
181.12216	23.6
182.10962	15.6
183.11688	32.0
185.09665	8.5
185.13217	28.8
187.11238	15.0
187.14822	6.7
189.12779	14.5
190.13580	15.4
191.14294	6.5
192.09497	4.3
193.10164	20.9
193.12288	12.6
194.10931	13.0
195.11761	28.4
195.13579	6.4
196.12485	11.4
197.11690	6.6
197.13292	26.4
198.10402	5.4
198.14160	4.0
199.11188	10.0
199.14905	8.2
201.12778	11.7
203.14319	26.9
206.10938	11.0
207.11682	23.6
207.13818	32.1
208.12476	10.7
208.14613	12.1
209.13278	28.2
209.15250	7.7
210.14063	8.0
211.11223	7.1
211.14877	12.2
213.12828	12.0
215.14288	6.3
217.15849	4.5
218.10959	5.4
219.11736	9.4
219.13686	7.5
221.13297	14.6
221.15344	98.9
222.15884	6.1
223.14929	16.3
225.12769	9.8
225.16431	9.7
227.14369	8.9
227.17882	4.6
233.13264	10.9
233.15396	25.2
234.14040	4.8
234.16162	20.3
235.14859	14.3
235.16917	6.1
237.12695	7.0
237.14635	38.9
239.14360	9.2
239.18013	6.4
245.15453	4.5
247.16995	16.5
248.13947	8.7
249.16512	9.5
251.14188	9.5
253.15897	8.8
255.17403	27.0
259.17047	6.4
261.16382	10.9
269.19147	6.0
271.16904	12.4
274.19226	10.5
277.19455	5.2
281.19122	11.5
285.18469	13.7
286.19339	20.3
287.20157	12.9
294.19830	4.0
295.17017	4.9
295.20468	5.9
297.18466	12.9
297.21613	4.2
299.20172	13.7
303.19562	46.7
309.22342	4.4
311.20056	11.9
312.20956	6.6
313.21680	14.2
325.21616	46.0
352.23938	72.7
365.24857	59.6
377.24738	7.6
383.26010	7.1
487.32242	5.1
502.34659	6.5
503.35092	9.0
505.33038	4.6
507.34726	39.0
508.34964	9.1
520.35443	35.4
582.40356	8.4
583.41724	7.0
585.38623	4.7
600.41669	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45527	1.8
51.02358	2.0
53.03939	4.8
53.80418	1.7
55.05513	20.3
57.07077	8.7
65.03935	5.9
67.05506	28.8
69.03436	12.4
69.07070	17.4
70.71365	4.6
71.04980	8.7
77.03913	1.8
78.04697	1.6
79.05494	34.0
80.06232	1.9
81.07057	41.7
83.04987	19.5
83.08632	13.8
85.02892	2.4
85.06537	9.0
87.04473	3.1
89.06036	7.9
91.05483	67.7
93.07043	67.6
95.04971	26.2
95.08608	37.7
97.06535	10.9
97.10158	4.3
103.05473	2.8
105.07032	100.0
107.04957	4.5
107.08595	61.5
109.06516	20.3
109.10168	32.4
111.08086	7.1
113.05975	2.6
113.09648	3.4
115.05440	9.8
116.06263	4.2
117.03423	1.8
117.07021	26.0
119.08585	82.9
120.09420	2.7
121.06556	12.5
121.10154	53.1
123.08073	27.5
123.11707	8.0
125.09637	12.6
128.06221	22.2
129.07021	28.2
129.09055	2.6
130.07774	7.7
131.08566	51.3
132.09364	4.4
133.06517	5.2
133.08598	4.9
133.10141	46.3
135.08081	16.2
135.11728	13.8
137.09630	8.2
139.11182	5.8
141.06995	13.0
142.07779	34.5
143.08572	53.1
144.09341	14.5
145.06499	8.7
145.10124	67.3
146.10870	2.9
147.08064	18.2
147.11697	21.6
148.08771	2.5
149.09644	16.0
149.13264	3.7
151.07552	7.4
151.11198	2.9
153.07002	5.4
154.07762	5.7
155.08566	25.2
155.10611	12.9
155.79718	1.9
156.09337	26.2
157.10126	69.7
158.10907	9.7
159.08060	22.2
159.11690	46.1
160.08835	7.7
160.12396	2.9
161.09636	18.4
161.13261	9.7
163.11197	9.5
163.14830	2.3
165.06956	11.2
165.09123	9.0
166.07843	5.4
167.08559	12.4
167.10686	18.4
168.09396	8.9
169.10143	34.7
170.10928	14.7
171.11697	51.0
172.08836	3.2
172.12425	5.2
173.09602	12.6
173.13266	26.8
175.11191	17.6
175.14841	9.3
177.09186	2.1
177.11230	2.2
177.12756	4.5
178.07825	3.9
179.08566	13.0
179.14365	2.6
180.09364	6.2
181.10106	24.4
181.12286	4.6
182.10893	14.4
183.11699	30.5
184.08841	2.0
184.12469	7.1
185.09677	7.0
185.13283	23.2
186.10391	2.2
186.14131	4.0
187.11159	10.2
187.14824	10.3
189.12817	10.3
189.16472	2.0
190.13516	3.6
191.08499	2.9
191.14401	5.0
192.09352	6.0
193.10130	16.3
193.12225	5.0
194.10875	11.0
195.11693	34.0
196.12502	13.1
197.09647	5.2
197.13261	29.8
198.14023	3.8
199.11232	7.2
199.14821	15.5
201.12733	7.2
201.16356	2.5
203.14282	12.7
204.09402	2.6
205.10196	5.9
205.12126	2.1
206.10959	7.9
207.11725	20.5
207.13762	5.3
208.12471	8.4
209.09763	3.2
209.13293	25.0
209.15192	2.4
210.10315	2.7
210.13985	5.1
211.11227	6.9
211.14839	22.2
213.12755	13.1
213.16331	9.1
215.14388	8.4
217.10349	4.0
217.15919	4.2
218.10941	4.8
218.16730	3.8
219.11772	8.7
219.13756	2.4
220.12514	7.7
221.13260	18.3
221.15411	22.5
222.14006	6.6
223.11244	2.3
223.14812	15.1
225.12721	6.9
225.16396	7.8
227.14337	6.5
227.17979	3.3
229.10281	3.0
229.15953	4.5
231.11670	6.8
231.13783	3.2
232.12505	3.6
233.13246	7.4
233.15388	22.5
234.14084	3.8
234.16219	6.6
235.14755	14.1
237.12778	3.9
237.16447	17.0
239.14432	5.7
239.17993	5.0
241.15753	5.2
243.17477	2.9
244.12469	3.1
245.13223	4.6
245.15472	3.0
246.13992	4.1
246.16193	2.5
247.14827	10.8
247.17052	3.4
248.15712	5.0
249.16345	9.7
250.17085	2.7
251.17989	8.2
252.18848	2.6
253.15900	4.6
253.19475	2.2
255.17436	35.6
257.18954	3.9
259.14764	5.3
259.17233	2.4
261.16452	9.1
263.17996	6.4
265.15948	4.6
265.19623	6.2
267.17508	4.2
268.18216	2.8
269.18973	7.7
270.19812	5.1
273.16046	4.0
273.18503	5.4
274.16895	3.0
275.17834	4.1
277.15958	2.2
281.19006	5.8
282.25372	1.9
283.20593	3.4
285.18533	6.7
287.17618	3.0
287.20355	3.2
289.19614	5.1
293.19034	2.2
295.20486	4.5
297.18793	2.5
299.20087	5.6
300.20944	2.3
307.20694	2.4
321.22034	2.4
329.22604	2.4
345.22214	4.0
347.23776	4.8
349.25446	2.5
365.24664	7.4
379.26721	2.2
383.25784	6.6
415.24872	2.2
457.31015	2.2
567.38428	2.6
582.40686	2.9
600.41687	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72417	2.0
53.03934	7.2
55.05510	22.9
55.07088	2.4
57.07082	10.7
58.71479	2.3
59.05000	3.8
64.14780	1.8
65.03928	5.2
67.05172	3.5
67.05504	38.0
69.03439	14.0
69.07066	20.1
69.69183	13.4
70.06610	2.0
71.05009	9.6
71.09892	2.1
77.03908	2.2
79.05495	34.1
81.07056	45.4
83.04978	18.4
83.08616	10.1
85.06531	10.1
87.04458	4.5
89.06023	8.9
91.05481	60.7
93.07043	67.8
95.04967	30.3
95.08609	37.1
97.06539	15.8
97.10126	3.1
103.05450	5.1
105.04547	2.5
105.07033	100.0
107.04964	4.8
107.08597	66.7
109.06519	24.3
109.10155	32.4
111.08073	7.0
113.09634	4.2
115.05479	8.3
116.06245	4.0
117.07030	26.1
119.04948	1.9
119.08588	83.3
119.09447	4.2
120.09401	2.5
121.06522	14.9
121.09309	3.8
121.10147	53.5
123.08064	29.8
123.11697	6.7
125.09621	9.9
128.06238	19.5
129.07014	30.5
130.07782	11.0
131.08572	47.5
132.09351	4.5
133.06477	7.7
133.08553	7.1
133.10138	49.9
134.10944	2.7
135.08075	17.4
135.11722	12.3
137.09637	10.5
139.11139	5.5
141.06973	16.8
142.07784	31.8
143.08572	59.7
143.09680	3.4
144.09360	15.6
145.06464	6.8
145.10126	75.3
146.07233	2.5
146.10901	3.7
147.08063	16.1
147.11694	23.3
148.08766	2.2
149.09615	14.7
149.13251	3.6
151.07529	8.4
153.06961	5.2
154.07767	6.4
155.08571	23.7
155.10626	13.6
156.09360	29.8
156.54579	2.0
157.10127	76.1
158.10899	11.0
159.08086	25.5
159.11703	52.2
160.08864	7.1
160.12515	2.4
161.09625	18.1
161.13257	10.4
163.11137	7.5
163.14818	2.5
165.07025	11.9
165.09099	10.3
166.07770	7.3
167.08597	16.8
167.10680	15.0
168.09372	11.7
169.10132	37.0
170.10948	13.0
171.08060	2.8
171.11687	50.2
172.12477	5.8
173.09642	14.5
173.13292	23.5
174.10408	3.1
174.13797	2.8
175.11188	18.3
175.14844	6.2
177.11278	3.7
177.12785	3.9
178.07861	2.9
179.08595	15.3
180.09322	8.8
181.10107	24.0
181.11736	2.4
181.12254	2.2
182.10866	14.7
183.11664	35.4
184.12456	8.5
185.09651	2.6
185.13274	26.7
186.14120	4.6
187.11198	11.1
187.14824	11.1
189.12791	10.5
190.13483	4.7
191.14320	7.8
192.09364	5.7
193.10123	18.2
193.11984	3.7
194.10941	12.3
195.11722	34.3
196.12483	13.1
197.09605	6.1
197.13303	29.5
198.13962	4.8
199.11194	6.7
199.14769	16.8
200.15564	3.0
201.12735	7.9
201.16350	5.7
203.14320	15.5
205.10179	4.7
205.15851	2.8
206.10931	10.1
207.11685	24.5
207.13754	5.4
208.12488	9.7
209.09505	3.0
209.13287	28.2
210.14027	7.2
211.11186	6.2
211.14810	24.6
213.12808	11.0
213.16376	9.0
215.14317	10.8
217.15877	2.6
218.10881	3.3
218.16634	3.8
219.11691	6.5
219.13730	4.2
220.12367	4.4
221.13239	14.7
221.15369	26.5
222.13940	5.6
223.14772	22.6
224.11978	3.0
224.15616	4.0
225.12767	8.5
225.16348	11.5
227.14291	9.5
227.17799	3.4
229.15894	3.7
230.10931	3.2
231.11674	6.2
231.13776	4.0
232.12488	4.7
233.13205	8.3
233.15385	24.4
234.14014	4.9
234.16022	5.2
235.14796	14.7
236.15417	2.6
237.12772	4.2
237.16458	13.3
239.14258	5.1
239.17778	4.7
241.15829	3.0
245.13248	5.4
245.15462	2.8
246.13947	5.1
247.14777	10.6
247.17046	4.0
248.15710	5.1
249.12749	2.3
249.16351	11.7
251.17995	9.7
253.15836	4.3
253.19508	2.6
255.17441	37.5
257.13263	3.2
259.14825	6.0
261.16406	9.3
263.17935	7.4
265.15790	3.1
265.19516	5.7
267.17294	5.7
268.18243	4.0
269.18979	9.3
270.19800	6.3
271.14728	3.3
271.17358	2.2
273.16080	3.5
273.18494	7.1
275.17828	5.5
276.18573	2.9
277.19550	4.0
281.19006	6.9
283.20233	3.2
285.18594	5.8
286.19485	3.7
287.17661	3.6
287.20380	2.9
289.19513	5.3
295.20605	5.6
297.18512	3.7
299.20276	3.5
301.19455	3.4
307.20480	2.7
339.28830	3.7
345.22021	2.5
347.23697	4.6
352.24136	2.6
360.24387	2.7
365.24680	6.3
377.24832	3.0
383.25717	7.3
415.25104	3.4
415.30582	2.5
582.40143	2.3
600.41321	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.5
53.03944	7.4
55.01849	2.3
55.05516	16.9
57.07070	7.4
59.04985	3.5
64.72251	2.4
65.03941	5.4
66.92108	2.3
67.05511	31.9
69.03442	15.7
69.07072	15.6
70.38864	4.6
70.39252	7.1
71.04992	6.2
79.05499	40.2
80.06252	2.7
81.07065	44.7
83.04995	21.3
83.08645	11.8
85.06540	7.9
87.04466	3.2
91.05485	66.0
93.07054	73.7
95.04980	27.4
95.08619	28.0
97.06548	15.0
97.10157	3.7
103.05475	3.4
105.04571	2.9
105.07040	100.0
107.04972	3.1
107.08605	71.5
109.06516	21.3
109.10160	28.6
111.08087	5.8
113.09650	5.6
115.05477	8.1
116.06272	2.9
117.07043	24.0
119.08589	86.0
120.09389	3.4
121.06516	16.1
121.10156	57.4
122.07274	2.6
123.08079	33.5
123.11680	6.0
125.06010	3.1
125.09612	14.0
128.06242	14.8
129.06995	26.4
130.07784	9.4
131.08569	49.2
132.09332	2.4
133.06511	6.8
133.10135	57.1
135.08052	18.2
135.11728	12.2
137.09627	16.1
139.11188	4.5
141.06967	16.4
141.09097	2.2
142.07799	36.7
143.08580	55.2
143.88609	2.3
144.09326	13.8
145.06488	7.6
145.09035	4.8
145.10130	73.4
146.10883	5.1
147.08047	19.6
147.11708	21.7
149.09612	18.3
149.13239	3.1
151.07597	5.6
151.11218	3.4
153.06996	7.4
154.07838	3.7
155.08569	22.5
155.10623	11.4
156.09363	30.1
157.10139	71.1
158.10872	10.6
159.08073	20.6
159.11708	52.3
160.08891	7.0
160.12360	3.0
161.09637	15.6
161.13272	8.2
163.11166	9.7
165.06998	10.7
165.09132	9.7
166.07799	6.7
167.08582	11.4
167.10690	17.1
168.09363	11.9
169.10109	34.6
170.10889	13.7
171.08093	4.0
171.11707	46.8
172.08830	2.6
172.12468	8.1
173.09604	9.8
173.13263	29.1
174.10434	3.3
175.11253	19.8
175.14859	5.3
177.09123	2.2
177.12845	3.3
179.08635	13.8
179.10394	2.2
180.09372	13.1
181.10132	22.7
181.12207	4.6
182.10931	19.4
183.08173	2.8
183.11693	37.1
184.12457	5.2
185.09636	7.2
185.13255	29.5
186.14058	4.9
187.11205	10.7
187.14819	13.3
188.11983	2.8
189.12720	11.2
189.16457	3.1
190.13501	5.8
191.08450	2.5
191.14314	7.5
192.09364	4.0
193.10188	23.1
193.11971	4.8
194.10933	13.6
195.11697	30.6
196.12444	12.2
197.09634	5.7
197.13272	27.6
198.10493	2.5
198.14035	3.1
199.11154	8.0
199.14821	14.7
201.12762	6.6
201.16309	3.6
203.14282	14.3
205.10176	3.6
206.10944	7.4
207.11723	23.5
207.13799	7.3
208.12445	10.5
209.13277	28.4
209.15120	4.3
210.14024	6.4
211.11281	4.4
211.14803	19.2
211.59709	2.5
212.15680	3.4
213.12743	9.8
213.16417	5.7
215.14293	10.1
217.15846	4.9
218.10960	5.2
218.16750	2.6
219.11768	6.7
219.13805	3.0
220.12463	6.9
221.13239	20.0
221.15407	27.3
222.14090	6.9
223.11292	3.4
223.14848	17.5
225.12772	7.8
225.16403	9.1
226.13310	2.5
227.14284	7.8
229.15884	5.2
231.11690	6.0
231.13788	3.9
232.12624	2.8
233.13263	7.8
233.15417	21.1
234.13960	5.5
234.16096	7.8
235.14810	13.0
236.15591	3.9
237.12723	4.5
237.16464	12.7
239.14308	3.0
239.17929	5.7
241.15941	4.8
245.13261	6.2
246.16228	3.0
247.14801	9.7
247.16998	3.0
248.15639	5.0
249.16383	9.4
251.14340	3.0
251.17986	4.9
253.15779	5.5
253.19580	3.8
255.17476	44.2
257.13147	3.3
257.19113	3.0
259.14798	6.5
259.17169	3.5
260.15591	2.5
261.16403	8.7
263.18002	7.6
265.16034	5.2
265.19522	5.1
267.17480	6.3
268.18201	4.1
269.18973	6.7
270.19833	8.0
271.17075	4.7
273.15997	3.4
273.18512	6.5
275.17853	5.4
277.19461	4.4
279.17554	4.8
281.19009	8.2
285.18808	4.8
286.19244	5.8
287.20212	4.3
295.20676	5.9
297.18765	2.6
297.21988	3.1
299.20139	6.9
301.19263	3.3
311.20175	3.1
313.21844	3.7
325.21796	3.0
334.22806	3.7
335.23395	3.9
345.22321	4.2
347.23761	5.1
352.23953	6.1
365.24716	6.5
373.24631	2.5
383.25797	7.6
431.91019	2.2
502.33829	2.5
520.35541	3.3
567.38031	2.8
600.41797	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94413	2.6
53.03946	5.1
54.49410	3.4
55.01880	3.3
55.05518	15.2
57.07080	14.1
59.04995	3.9
64.99136	2.6
65.03934	4.6
67.05517	25.7
69.03437	15.5
69.07054	10.7
70.60630	3.6
70.60960	4.3
72.87292	2.5
79.05508	30.1
81.03426	3.4
81.07067	37.4
83.04987	16.9
83.08623	4.0
85.06538	9.7
91.05486	52.1
93.07050	64.5
94.93461	2.5
95.04965	21.5
95.08619	36.5
97.06536	6.4
105.07034	86.9
107.04963	4.9
107.08608	45.1
109.06527	21.6
109.10165	14.2
113.09642	2.5
115.05448	6.4
116.06286	3.6
117.07043	18.2
119.07790	5.2
119.08582	72.8
119.60130	3.0
120.09414	3.2
121.06512	19.4
121.10169	35.9
122.07348	2.7
122.10503	2.8
123.08085	30.9
123.11741	3.2
125.05994	4.2
125.09636	5.3
128.06198	12.5
129.07018	22.7
130.07788	5.7
131.08589	37.5
133.06499	10.7
133.10133	38.5
135.08086	26.4
135.11720	17.0
135.12660	3.8
137.05991	4.8
137.09618	15.9
141.07007	7.6
142.07819	23.5
143.08575	56.1
144.09392	17.7
145.06482	4.8
145.10127	59.4
146.10657	3.2
147.08070	35.4
147.11697	15.6
149.09633	19.0
151.07562	19.2
153.07066	4.4
153.09064	3.6
155.08595	21.5
156.09312	18.1
157.10155	69.0
158.07167	3.1
158.10890	12.0
159.08109	16.2
159.11710	37.6
161.09634	24.2
161.13258	8.2
163.07607	3.0
163.11244	17.6
165.06981	6.4
165.09125	47.7
167.08557	8.1
167.10681	11.8
168.09317	6.1
169.10185	25.2
170.10898	9.2
171.08110	4.4
171.11693	31.1
172.08745	3.1
172.12457	8.1
173.09612	12.1
173.13239	14.6
174.10358	3.5
175.11147	29.6
175.14828	4.1
176.12039	3.1
177.09172	3.4
177.12766	6.4
179.08568	11.0
180.09302	4.2
180.11499	2.9
181.10143	16.0
181.12186	9.5
182.10875	9.4
183.11711	23.0
183.13120	3.9
184.12479	7.7
185.09619	5.7
185.13237	22.4
186.10239	3.5
187.11215	7.8
187.14821	5.0
189.12730	14.2
190.13554	11.2
191.10646	6.4
192.09273	6.9
193.10127	18.0
193.12265	13.0
194.10857	8.1
195.11734	19.2
196.12451	7.8
197.09648	5.2
197.13274	18.3
198.10413	5.5
199.11115	10.2
199.14830	5.7
201.12718	6.2
203.14330	26.5
205.10152	4.8
206.10869	4.2
207.11732	18.0
207.13840	11.1
208.12505	7.7
208.14653	6.2
209.13322	16.3
209.15036	3.9
210.14058	4.0
211.11140	6.4
211.14873	12.6
212.11908	4.4
213.12814	13.5
213.16344	4.4
215.10719	5.0
215.14337	6.5
215.58905	2.9
217.10229	3.2
217.12216	3.8
218.10873	4.8
219.11700	7.9
219.13763	6.0
220.12459	5.7
220.14403	3.2
221.13301	12.0
221.15359	86.7
223.14828	14.1
225.12856	5.6
225.16405	7.8
225.19122	2.5
226.13293	4.3
227.14290	5.6
229.15898	5.4
231.11716	6.2
231.13835	4.9
232.12408	3.7
233.13225	8.9
233.15379	21.0
234.13956	5.5
234.16142	10.6
235.14908	13.2
235.16920	3.7
237.12698	6.6
237.14687	29.5
239.14310	4.6
241.12189	2.7
241.15948	4.6
246.13927	3.6
247.14868	4.5
247.16986	10.0
248.14122	12.3
249.16437	6.2
253.15871	7.3
255.17491	21.6
259.14548	3.7
259.17029	4.3
261.16403	6.6
263.18042	4.5
265.15790	3.6
267.17551	4.0
270.19858	6.0
271.16986	7.8
274.19247	11.9
279.17529	6.3
281.19043	5.8
285.18530	10.1
286.19510	14.9
287.20139	8.7
294.19669	8.1
295.20572	3.3
297.18549	3.9
298.24667	3.2
299.20050	11.0
301.19385	3.1
303.19583	47.2
311.19955	3.8
312.20786	6.6
313.21741	16.4
319.20471	3.7
325.21667	16.9
337.21622	11.0
352.23999	100.0
358.60251	3.0
363.23068	3.3
365.24802	21.8
377.24622	6.5
383.25787	4.5
391.25974	3.5
415.27228	2.9
487.31805	3.7
490.33759	3.0
492.58752	3.3
502.34229	11.6
503.35065	5.5
505.33115	5.9
507.34628	8.3
508.34964	11.5
520.35614	39.9
539.38220	3.3
583.41516	4.7
585.39465	3.6
600.41510	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44060	3.4
51.44146	4.0
53.03951	9.3
55.05507	17.5
55.05730	3.7
57.07066	11.5
65.03949	4.8
67.05508	31.1
69.03425	17.3
69.07080	21.0
69.67125	20.1
69.67525	7.1
79.05501	35.4
81.07075	40.4
83.04979	16.7
83.08631	5.7
85.06522	6.5
91.05486	51.8
93.07049	76.9
95.04993	25.9
95.08627	35.1
97.06523	13.1
105.07041	100.0
107.04984	6.9
107.08609	72.9
109.06551	22.8
109.10166	34.3
111.08053	5.0
115.05451	9.9
117.07016	24.0
119.04988	4.1
119.08592	98.5
120.09396	4.9
121.06505	17.1
121.10169	57.7
123.08075	41.1
123.11751	6.0
125.06001	4.3
125.09624	11.5
128.06261	18.4
129.07043	26.5
130.07787	9.0
131.08595	49.9
132.09436	5.3
133.06490	11.2
133.10153	54.9
135.08093	26.3
135.11684	13.2
137.05995	4.3
137.09647	17.7
139.11203	5.1
141.06998	10.0
142.07793	24.9
143.08571	62.0
144.09322	14.4
145.06448	7.7
145.10138	86.1
146.10938	5.8
147.08057	27.9
147.11703	19.9
149.09636	21.2
151.07567	12.9
154.07796	5.6
155.06215	3.8
155.08592	21.1
155.10699	6.4
156.09367	25.9
157.10158	92.9
158.10933	13.7
159.08107	23.8
159.11707	50.6
160.08896	5.0
160.12253	5.7
161.09682	25.6
161.13300	13.8
163.11209	21.0
165.07018	10.3
165.09148	43.4
167.08524	14.0
167.10677	20.2
168.09340	7.0
169.10153	34.7
170.10927	12.1
171.11716	56.7
172.12476	7.3
173.09637	14.7
173.13234	24.7
174.10374	4.7
175.11211	32.0
175.14919	8.2
177.09091	4.5
177.12753	6.3
179.08571	13.1
180.09346	8.6
181.10066	19.4
181.12277	9.7
182.10895	12.5
183.11717	32.0
184.12540	4.9
185.09633	6.2
185.13298	29.8
187.11195	13.0
187.14862	8.2
189.12732	15.4
190.13504	16.3
191.10632	4.7
191.14360	7.6
192.09305	5.0
193.10156	19.6
193.12239	11.5
194.11021	9.3
195.11748	35.4
196.12480	9.5
197.09660	6.4
197.13293	31.8
198.13872	4.0
199.11171	9.7
199.14795	14.4
201.12740	9.1
203.14319	31.6
205.10254	5.3
205.12254	4.4
207.11736	21.0
207.13857	14.2
208.12498	11.1
209.09569	5.0
209.13313	27.2
209.15227	6.4
210.13899	7.7
211.11150	12.0
211.14819	20.5
213.12730	18.5
213.16379	9.7
215.10669	5.1
215.14307	9.4
217.10095	4.2
218.16743	4.7
219.11914	7.3
219.13774	7.9
220.12404	10.8
221.13268	15.9
221.15361	82.8
222.13989	5.3
223.11238	6.1
223.14848	16.9
225.12724	6.1
225.16266	5.0
227.14288	5.9
231.11823	6.9
233.13298	11.0
233.15422	21.2
234.13995	5.0
234.16075	17.6
235.14754	12.7
237.12738	7.9
237.14633	25.0
239.14308	7.4
239.17978	8.7
240.14841	3.8
241.15906	10.1
245.13359	4.6
247.14854	11.2
247.17033	5.0
248.14087	14.0
249.16437	9.7
251.14226	5.0
253.15932	11.6
255.17508	38.7
259.14883	5.9
261.16367	9.9
265.16290	4.9
269.19098	5.0
270.19812	6.8
271.17041	7.3
273.16171	5.6
273.18686	5.2
274.19263	12.4
275.17725	7.7
277.19467	4.6
279.17627	7.0
281.18979	8.6
283.20810	4.8
285.18597	7.4
286.19339	13.7
287.20123	9.7
291.94275	3.9
294.19727	7.4
295.20569	7.8
297.18457	7.0
299.20068	12.0
303.19626	53.3
305.19067	5.1
307.20764	4.9
312.20419	5.7
313.21716	14.6
325.21545	15.1
337.21600	10.8
347.23553	7.4
352.24002	78.5
353.24033	4.6
363.23065	4.1
365.24844	23.7
377.24838	5.8
383.25888	5.7
487.31442	4.5
502.34497	9.1
503.35263	8.8
507.34613	8.8
508.34628	9.0
520.35480	37.4
600.41327	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20192	1.3
53.03944	2.9
55.05514	5.4
57.07080	8.6
59.05002	2.4
61.59770	1.2
65.03938	1.7
67.05515	10.2
69.03426	8.6
69.07060	5.1
70.44672	3.3
79.05508	14.1
81.03410	1.6
81.07066	18.1
83.04979	5.3
83.08621	1.8
85.06539	5.4
88.43620	1.3
89.06034	3.2
91.05488	22.5
93.07054	29.1
95.04973	9.0
95.08614	20.9
97.06542	4.0
103.05480	2.4
104.81297	1.0
105.07043	40.6
107.04955	2.4
107.07968	2.1
107.08610	22.0
108.02792	1.3
109.06543	12.9
109.10160	7.2
111.08130	1.9
112.42347	1.3
115.05499	2.4
117.07026	11.3
119.04928	1.5
119.08590	52.1
120.09361	3.6
121.06493	7.4
121.10152	21.0
121.95025	1.2
122.07286	1.3
123.08080	16.1
123.11729	2.1
125.05987	9.0
128.06218	5.7
129.07014	12.1
130.07794	2.6
131.08571	23.6
132.09386	2.2
133.06514	4.2
133.08578	2.1
133.10141	22.5
134.10970	1.3
135.08063	16.0
135.11710	7.1
137.05977	3.2
137.09647	11.4
139.07581	2.3
141.07014	3.6
142.07838	8.2
143.08583	20.7
144.09325	5.5
145.10141	33.3
147.08058	28.9
147.11703	8.1
148.08603	1.5
149.09650	11.1
151.07585	8.9
151.11115	2.4
152.08023	1.4
155.08551	11.3
156.09369	7.3
157.10144	28.4
158.10811	4.5
159.08063	8.4
159.11703	21.3
160.08749	2.2
161.09631	9.4
161.13255	5.8
163.11195	18.9
165.07076	1.9
165.09125	46.4
166.09474	3.4
167.08537	3.5
168.09393	2.9
169.10158	13.5
170.10866	6.0
171.08160	1.5
171.11710	16.4
172.12384	4.0
173.09613	6.0
173.13284	7.2
175.11198	18.2
175.14865	2.0
177.09169	3.2
178.09895	1.7
179.08574	3.0
180.09331	3.6
180.11401	3.2
181.10155	6.8
181.12262	18.8
182.10921	4.3
182.12550	1.6
183.11699	14.1
184.12387	2.1
185.09669	3.4
185.13306	8.6
186.10367	1.5
187.11266	4.2
187.14848	3.4
189.12801	8.2
190.13542	7.8
191.10683	4.7
191.14325	2.6
193.10291	2.7
193.12273	13.5
194.10947	2.7
195.11719	10.5
195.13538	2.0
196.12497	3.0
197.09656	2.6
197.13266	9.5
198.13928	1.8
199.11142	6.0
199.14818	3.8
200.11946	1.5
201.12775	5.1
203.14359	18.0
204.14734	2.0
205.12108	1.7
206.10889	1.9
207.11713	5.4
207.13857	7.2
208.12656	2.2
208.14577	8.5
209.13309	9.0
209.15070	1.8
211.11275	3.5
211.14864	5.9
212.11963	2.3
212.15405	2.6
213.12749	5.3
213.16243	1.9
215.14360	3.4
217.12148	2.2
219.13844	5.1
220.12383	1.5
221.13400	5.0
221.15378	100.0
222.15758	12.4
223.11174	1.7
223.14896	3.7
225.12778	6.4
225.16382	4.4
227.14282	3.2
229.15909	2.8
233.13393	2.5
233.15413	3.3
234.14093	2.3
234.16162	18.8
235.14688	2.8
237.12724	2.9
237.16437	2.5
239.14378	2.4
239.17993	2.8
240.18732	1.4
241.15988	1.5
243.13777	2.9
245.15414	2.0
247.14618	1.5
247.16971	26.3
248.17685	3.8
249.16440	1.8
251.17926	2.3
253.16042	2.8
255.17589	1.6
257.15445	2.7
259.16980	5.2
260.17740	2.0
261.18698	3.2
265.15912	2.5
267.17331	1.5
269.15442	2.9
269.19019	2.3
271.17081	1.9
274.19336	13.1
279.17618	3.2
281.19052	1.8
283.16949	2.0
285.18582	2.9
286.19376	3.7
287.20135	13.2
288.20410	1.7
293.19080	2.0
297.18539	4.2
299.20154	15.3
300.20654	3.9
306.27106	1.4
309.18448	1.8
309.22128	1.3
310.19147	2.7
311.20035	5.1
312.20648	8.1
313.21628	5.4
325.21655	13.1
326.22049	2.8
327.23578	2.7
337.21536	3.5
339.23132	5.1
340.23975	13.3
352.23981	30.3
353.24356	1.8
365.24796	4.7
366.25684	2.1
377.24805	2.5
379.26443	4.0
387.25327	5.0
391.26224	4.9
392.26804	4.8
400.26288	2.0
402.27817	1.8
413.26797	4.5
419.29581	8.8
420.30103	3.4
425.26767	7.6
426.27573	4.2
427.28485	15.3
439.28210	1.5
440.29276	43.0
442.30774	4.4
505.33264	2.2
507.34756	2.1
508.35663	7.6
520.35529	29.7
521.36218	2.3
585.39142	2.9
600.32013	2.0
600.41595	37.3
601.42004	3.6
602.83020	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58724	1.2
53.03938	2.6
55.05502	6.5
57.07082	8.3
59.04992	3.8
65.03922	1.6
67.05501	13.5
68.05834	1.4
69.03425	9.1
69.07069	5.9
70.49630	4.9
77.03897	1.6
79.05488	12.1
81.03400	1.9
81.07060	19.7
82.07360	1.5
83.04990	6.6
83.08614	2.8
85.06538	3.7
89.06034	6.8
91.05479	24.3
92.05806	1.6
93.07044	27.2
94.07366	1.5
95.04964	10.0
95.08612	19.1
97.06533	6.0
98.20882	1.8
103.05492	2.2
105.07034	44.4
106.07299	1.6
107.08597	22.3
109.06524	9.2
109.10179	8.3
111.08103	2.3
115.05464	1.3
117.07010	11.8
119.08582	51.8
121.06535	8.2
121.10149	18.6
122.07291	2.1
123.08080	18.0
123.11755	1.7
125.05991	10.1
128.06236	3.4
129.07008	9.8
130.07803	2.8
131.08582	20.6
132.09351	2.5
133.06490	4.2
133.08591	3.7
133.10118	20.3
134.10352	1.6
135.08055	17.0
135.11681	6.8
137.09615	13.2
139.07547	2.8
139.11263	1.5
141.07016	4.9
142.07802	8.3
143.08574	21.8
144.09314	6.0
145.06413	1.7
145.10130	30.9
147.08035	29.8
147.11690	6.0
148.08525	3.1
149.09610	10.9
151.07521	13.0
151.11206	1.7
153.09081	1.5
154.07791	1.8
155.08577	9.6
156.09344	9.0
157.10149	28.7
158.07294	1.8
158.10732	3.3
159.08070	6.1
159.11700	20.9
160.08868	2.0
160.12190	1.6
161.09654	9.8
161.13261	5.7
162.10402	3.0
163.11203	16.6
165.06950	3.8
165.09116	46.7
166.09436	4.5
167.08578	4.6
168.09334	4.3
169.10120	13.1
170.10866	4.7
171.08002	3.6
171.11708	15.8
172.12332	3.0
173.09586	6.7
173.13295	7.2
175.11159	15.5
175.14825	2.8
177.09103	4.8
177.12767	2.7
178.09837	2.2
179.08571	3.3
179.10674	2.6
180.11443	3.4
181.10246	6.6
181.12218	15.3
182.10843	5.4
183.11710	14.3
184.12231	2.4
185.09621	3.2
185.13226	10.5
186.13785	1.5
187.11151	7.2
187.14835	4.3
189.12743	7.7
190.13573	10.4
191.10667	6.6
192.09471	1.8
192.11284	2.1
193.10147	4.7
193.12277	11.1
194.10825	2.5
195.11705	6.7
195.13763	1.7
196.08690	1.8
196.12416	3.5
197.13239	10.3
199.11250	7.0
199.14822	3.8
201.12740	6.6
203.14337	19.7
204.14635	3.1
205.10085	1.4
205.12308	1.4
206.10938	2.3
207.11726	5.6
207.13811	9.8
208.12689	1.9
208.14549	8.0
209.13248	8.2
209.15234	2.3
210.14066	2.1
211.11179	3.5
211.14857	7.1
212.15547	1.6
213.12823	2.6
215.14323	2.3
216.15123	1.7
219.11830	3.0
219.13828	8.1
220.12514	2.2
221.13463	3.8
221.15364	100.0
222.10236	1.6
222.13821	2.3
222.15747	15.5
223.14801	4.8
224.15530	1.8
225.12743	3.4
225.16415	3.6
227.14296	4.4
229.15874	2.4
231.13788	2.4
231.71010	1.5
233.13283	3.1
233.15373	3.0
234.16156	16.5
235.14761	3.3
235.16957	2.0
237.12694	2.9
237.16446	2.6
239.14287	1.6
240.18605	1.7
243.13759	1.9
247.14493	2.8
247.16936	28.9
248.17610	3.2
249.16434	2.7
251.14427	2.7
253.16017	2.2
259.16998	4.1
263.17953	2.1
267.17422	1.5
271.16971	3.4
273.18552	3.1
274.19324	12.7
279.17426	3.8
281.18933	3.1
285.18536	3.2
286.19217	4.4
287.20068	10.0
288.20340	2.5
295.20490	1.7
297.18491	2.6
299.20084	17.0
300.20660	2.8
307.20572	2.2
310.19022	1.8
311.20029	2.7
312.20917	7.0
313.21597	5.5
314.21896	2.0
319.22672	2.6
325.21658	15.1
326.22223	2.4
327.23288	3.9
337.21597	2.9
339.23047	5.1
340.24017	17.7
351.23090	2.1
352.23996	27.5
353.24503	2.2
365.24744	4.7
366.25436	3.9
378.25433	1.6
379.26404	3.3
387.25333	4.8
391.26364	4.1
392.26834	4.1
400.26254	1.9
402.28250	2.4
413.26688	5.1
419.29425	8.3
420.30185	4.8
425.26898	7.1
426.27536	4.2
427.28479	16.3
428.29114	1.9
440.23480	2.4
440.29269	43.8
442.30930	3.0
454.30661	1.7
481.33075	1.7
507.34424	2.4
508.35284	5.8
520.35492	28.9
521.35864	2.6
582.40350	2.9
585.39240	5.4
600.26288	1.6
600.41534	42.2
600.50372	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05506	13.3
57.07086	15.9
59.04987	6.0
60.89355	3.1
67.05502	20.7
69.03434	8.4
69.07076	9.1
70.89040	3.1
70.89386	5.8
77.28275	3.4
79.05506	19.7
81.07052	36.3
83.04988	8.9
83.08615	7.9
85.06544	3.9
89.06042	18.3
91.05489	37.5
91.18849	3.1
93.07047	36.7
95.04977	9.6
95.08614	34.1
97.06547	9.7
103.05471	4.1
105.07030	50.2
107.08614	28.1
109.06534	12.6
109.10173	11.8
117.07026	12.1
119.08600	56.2
121.06500	10.5
121.10141	26.9
123.08073	16.6
125.05984	11.1
126.67189	3.1
129.07033	11.6
131.08575	30.1
132.09348	4.2
133.08636	7.5
133.10152	27.2
135.08047	19.4
135.11707	8.4
137.09630	17.0
141.06973	4.3
142.07819	10.4
143.08577	27.5
144.09341	6.4
145.06508	4.0
145.10121	45.3
147.08060	29.7
147.11697	7.9
149.09641	11.1
151.07579	12.4
155.08559	10.2
156.09332	10.9
157.10149	36.7
159.08104	7.6
159.11720	27.1
160.08794	5.6
161.09592	8.2
161.13268	7.6
163.10049	3.5
163.11182	20.0
165.09128	49.0
166.09485	4.6
167.08595	6.2
169.10132	17.7
170.10912	6.8
171.11716	22.6
172.12520	5.4
173.09602	8.4
173.13274	11.0
175.11220	15.4
175.14816	5.5
177.09097	6.5
178.09866	5.0
181.10094	8.1
181.12251	18.5
182.10947	4.0
183.11696	12.7
184.12164	4.1
185.09622	3.2
185.13303	11.1
187.11267	6.1
187.14859	9.6
189.12706	7.8
190.13501	7.2
191.10577	5.0
191.14166	4.5
193.10197	3.5
193.12242	13.9
195.11723	14.9
196.12469	5.6
197.13307	14.0
199.11298	7.0
199.14813	4.7
201.12752	11.0
203.14294	18.5
207.11839	8.1
207.13867	13.5
208.14517	8.3
209.13298	11.6
210.13896	4.8
211.14793	7.5
213.12762	7.0
215.14293	4.7
219.13922	5.4
221.13489	5.2
221.15381	100.0
222.15753	17.2
223.14844	7.6
227.14362	3.3
233.13362	5.9
234.16156	19.8
235.14700	3.9
247.16951	33.3
248.17545	4.0
253.15833	5.0
259.16962	6.4
274.19351	16.9
281.19070	3.7
286.19293	6.9
287.20053	11.5
297.18472	4.2
299.20099	15.1
300.20581	6.1
311.20251	4.7
312.20810	7.4
313.21628	5.8
325.21643	14.0
339.23621	3.6
340.23996	16.0
352.24002	29.3
365.24777	4.5
379.26114	3.6
391.26334	5.8
392.26752	5.4
413.26691	4.6
419.29391	12.3
425.26865	6.3
426.27112	3.5
427.28412	14.3
440.29242	46.6
442.30350	5.0
453.63260	3.4
508.35455	9.8
520.35461	34.0
571.13446	3.7
585.39697	7.3
600.41821	48.7
600.50378	3.5
600.55890	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	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03629	0.6
56.63451	0.7
69.84737	2.1
69.85146	1.5
85.02898	1.1
93.07069	0.7
97.02928	0.8
100.00990	0.6
107.04948	0.9
115.05457	1.1
117.07043	1.2
128.06229	1.8
128.07147	0.7
129.07018	4.6
131.04929	1.2
131.08583	5.6
133.06528	1.2
141.07054	1.4
144.05711	1.7
145.06511	1.9
146.07269	0.8
155.06047	0.9
157.06587	3.3
157.07637	0.7
159.08072	9.1
161.06030	0.8
161.09612	3.1
167.07101	0.9
170.07286	1.8
171.08066	2.5
172.05321	0.8
173.06064	1.7
175.07568	1.1
187.07573	8.2
189.05305	1.0
189.09142	3.8
198.06874	0.8
199.07568	0.8
203.07022	1.4
204.07823	4.7
205.08562	0.9
206.09535	1.0
216.07831	0.8
217.08789	0.8
219.10207	2.4
221.11731	2.0
231.10175	2.0
233.11659	1.3
249.11244	100.0
250.11708	1.4
251.12830	2.3
267.12207	3.3
351.61298	0.8
369.90546	0.8
426.32150	0.7
625.50037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30278	0.3
67.05495	0.4
69.03414	0.6
69.62498	0.6
69.62907	2.2
79.05488	0.4
79.18053	0.4
81.03425	0.5
85.02889	1.2
87.10911	0.3
88.25878	0.4
91.05475	1.0
97.02892	0.5
105.07040	0.6
107.04980	1.1
109.02827	0.4
115.05441	1.0
117.07014	1.2
123.04430	0.5
127.03899	0.5
128.06238	1.2
129.07008	5.3
131.04955	0.4
131.08560	5.6
133.06477	0.8
141.06982	2.1
142.07744	0.5
143.04922	0.4
143.08546	1.3
144.05676	2.0
145.06447	1.7
146.07246	1.0
153.06966	0.7
157.06483	3.0
158.07246	0.8
159.08072	10.5
161.06081	0.7
161.09619	2.7
167.07040	0.9
169.07695	0.8
170.07303	2.3
171.08049	2.4
172.05215	0.8
173.06026	1.5
174.06758	0.6
175.07542	0.9
177.05424	0.6
178.08609	0.7
187.07568	9.9
189.05496	0.7
189.09102	4.1
191.07018	0.5
192.07880	0.5
193.08678	0.6
198.06795	0.5
199.07646	0.6
201.09169	1.1
203.07030	1.5
204.07840	4.8
205.08638	0.8
216.07875	1.6
217.08551	0.6
219.10132	2.0
221.11717	1.5
231.10167	3.1
233.11705	3.3
237.11298	0.8
243.76404	0.3
249.11243	100.0
250.11577	1.3
251.12746	0.7
267.12299	3.2
291.64636	0.4
304.55914	0.5
332.24106	0.4
369.42151	0.4
472.92657	0.4
560.87024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.0
51.73516	2.3
51.81162	2.7
53.03934	4.9
55.05524	24.7
55.69555	2.8
57.03421	8.7
57.07057	5.3
65.03931	4.9
67.05509	79.4
68.09444	2.3
69.07078	30.0
70.70248	8.0
71.04993	4.1
75.38908	2.5
79.05494	39.9
79.05915	4.8
79.81091	2.4
79.85306	2.4
81.07063	90.4
82.07365	2.7
83.07641	2.9
83.08625	7.0
85.06560	3.8
91.05489	34.0
91.91600	2.8
93.06570	4.0
93.07060	45.5
93.41001	3.3
94.07384	3.3
95.08067	3.3
95.08624	61.9
96.08952	2.7
97.10154	6.4
105.07047	34.3
107.08610	29.6
109.06437	3.8
109.10165	26.3
116.14626	2.5
117.07001	12.8
119.07918	2.7
119.08589	29.1
121.10155	28.4
123.11719	14.0
125.09608	3.6
129.07004	4.6
131.08588	19.1
133.10141	27.3
135.11719	20.5
142.07857	2.8
143.08588	6.5
145.10141	21.2
147.11723	19.5
148.61627	3.2
149.13222	10.0
157.10094	6.1
159.11723	18.1
161.13226	10.5
163.14839	5.8
163.74406	2.5
171.11662	9.3
173.13310	13.6
175.14787	3.8
183.11537	3.6
185.13359	5.1
187.14789	6.9
189.16359	3.7
202.23503	2.6
203.18109	3.7
227.17947	3.3
241.19524	4.7
243.21117	4.1
247.20592	5.9
259.20569	5.0
261.22095	8.8
263.23538	3.1
310.77869	2.9
321.24219	6.7
323.25714	5.5
325.25226	3.3
333.24319	3.6
335.25812	10.2
337.27167	3.7
477.35583	3.3
497.60898	3.0
507.41672	9.3
525.42841	4.5
581.45276	10.9
599.46747	100.0
600.47510	3.8
629.40759	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	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57964	0.3
52.62565	0.4
56.16105	0.3
69.03421	0.7
71.44245	0.7
77.58160	0.4
79.14044	0.3
80.16853	0.3
85.02910	1.2
91.05502	1.2
97.02914	0.7
98.80301	0.3
105.07035	0.6
107.04988	0.4
115.05442	0.9
117.07005	0.6
123.21803	0.3
128.06236	1.7
129.07019	5.0
131.04945	0.4
131.08583	5.9
132.08765	0.3
133.06487	0.7
133.10103	0.6
141.07008	2.3
142.07835	0.5
143.08551	1.1
144.05717	1.8
145.06467	1.9
146.07286	1.0
147.04413	0.3
153.07001	0.4
156.05699	0.4
157.06506	2.7
159.08066	9.5
161.06003	0.7
161.09636	2.5
167.07069	0.4
169.06429	0.5
169.07692	0.7
170.07268	1.7
171.08076	1.8
172.05200	0.9
173.05991	1.0
174.06772	1.0
175.07614	0.7
187.07565	7.1
189.05464	0.5
189.09129	4.3
191.07056	0.6
192.07794	0.4
193.08559	0.5
198.06740	0.7
199.07570	1.0
203.07079	1.1
204.07854	4.4
205.08652	0.9
216.07867	2.1
217.08635	0.5
217.32053	0.4
219.10173	1.7
221.11722	1.6
231.10205	2.9
237.11095	0.6
249.11250	100.0
250.11446	1.5
267.12302	2.7
411.16406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.05508	10.8
57.07082	8.2
59.04992	2.6
65.03944	2.2
67.05508	15.6
69.03435	12.9
69.07068	11.6
69.24253	14.9
79.05498	18.6
81.07060	25.8
83.04981	12.1
83.08620	7.6
85.06541	6.5
87.04443	1.6
91.05486	33.4
93.07050	35.1
95.04977	17.0
95.08613	19.5
97.06523	5.7
97.10213	1.6
103.05483	4.6
105.07036	47.6
107.05001	2.4
107.08604	37.7
109.06540	12.3
109.10162	12.4
111.08098	2.3
113.09637	2.4
115.05465	4.8
117.07000	10.2
119.08588	43.1
120.09436	1.6
121.06532	10.7
121.10153	33.1
123.08073	14.5
123.11710	3.4
125.05997	3.0
125.09616	7.7
128.06233	7.2
129.06990	11.5
130.07773	3.8
131.08577	24.7
133.06483	4.2
133.10139	21.5
135.08063	15.4
135.11719	10.2
137.09599	9.9
139.07549	2.5
139.11224	2.6
141.07021	4.9
142.07782	12.2
143.08577	26.3
144.09395	7.8
145.06514	2.2
145.10126	30.0
147.08043	15.2
147.11655	12.7
149.09621	17.1
149.13271	2.0
151.07536	13.5
151.11145	2.0
153.07050	2.6
154.07771	2.0
155.08582	9.8
156.09366	9.4
157.10138	31.2
158.10919	3.7
159.08067	14.0
159.11678	18.2
161.09618	10.4
161.13284	3.7
163.11162	7.6
165.06964	4.6
165.09132	25.3
166.07788	3.4
167.08600	7.2
167.10690	19.0
168.09377	5.6
169.10106	21.4
170.10904	5.6
171.08049	2.9
171.11714	20.5
172.12526	2.4
172.33539	1.6
173.09615	6.5
173.13287	11.1
175.11157	7.4
175.14842	4.1
177.09225	2.3
177.12766	2.5
179.08589	6.9
179.10716	1.4
180.09395	3.2
181.10146	10.0
181.12274	5.5
182.10973	6.7
183.11691	16.5
184.12466	2.6
185.09695	4.3
185.13190	9.1
187.11206	5.5
187.14836	4.2
189.12819	7.5
191.08693	2.3
191.10620	2.7
191.14319	3.5
192.09433	3.9
192.11424	2.0
193.10130	6.8
193.12193	2.8
194.10976	4.9
195.11732	11.6
195.13382	1.9
196.12561	3.6
197.09715	1.9
197.13286	13.5
198.10487	1.5
199.11250	5.8
199.14845	5.4
201.12810	5.3
203.08661	1.6
203.10728	1.7
203.14281	9.2
205.10085	2.6
206.11000	3.0
207.11729	10.8
207.13858	9.6
208.12650	3.0
209.13307	13.7
209.15384	6.0
211.11250	3.6
211.14787	8.1
213.12700	2.4
213.16473	2.2
215.10878	1.9
215.14339	6.3
217.15839	2.2
218.11008	2.8
219.11842	2.1
220.12544	3.1
221.13260	9.5
221.15427	38.8
222.13895	2.3
223.11157	2.3
223.14854	6.3
225.12747	4.1
225.16469	3.7
227.14438	2.6
229.12350	2.9
229.15855	2.6
231.11714	2.7
233.13278	4.5
233.15372	31.0
233.17520	2.8
235.14833	5.9
237.12747	2.9
237.14726	3.2
239.14339	2.2
241.16037	3.3
245.13345	3.4
247.14822	2.8
247.17014	4.6
249.16461	3.4
253.15872	2.7
259.14764	1.6
261.16397	2.6
263.17917	2.4
267.17551	2.1
281.19025	7.0
285.18573	2.8
286.19360	4.5
287.20215	2.0
291.17584	2.2
291.21194	1.6
299.20239	5.0
307.20581	2.0
312.20847	2.0
347.23624	1.9
349.21658	3.1
351.23236	1.9
364.23990	6.2
365.24844	3.0
373.25302	2.3
377.24295	2.5
441.30078	3.6
489.33768	5.6
493.33051	3.0
507.34738	76.4
508.34982	2.5
581.39984	6.2
599.40973	100.0
600.40759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79208	0.7
61.59644	0.6
65.03947	1.6
69.03414	1.0
69.07050	1.2
71.04973	0.7
71.56305	0.7
77.03915	0.9
79.05474	0.8
81.03423	2.5
81.07060	2.2
85.02890	1.9
85.06526	0.8
91.05494	18.6
93.07057	1.9
95.04953	1.4
95.08616	3.0
97.02883	1.4
97.61371	0.6
105.03404	0.6
107.04954	1.4
107.08605	1.9
109.02893	0.9
109.10132	1.1
119.04956	31.2
121.10155	2.3
123.04445	0.8
132.02147	1.1
133.02809	0.8
135.11699	0.8
135.39122	0.6
136.05147	0.6
142.67996	0.6
145.02824	0.8
147.04425	24.4
149.02461	0.8
151.03929	0.7
157.03934	1.9
167.07077	1.6
175.03925	45.4
177.16377	5.6
178.08575	0.8
179.07057	3.3
179.08575	0.6
192.04167	1.3
195.17465	2.5
207.06546	100.0
208.06837	1.6
225.07523	3.1
231.19733	0.7
351.10703	2.7
369.11795	6.6
448.81152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01839	1.2
55.05513	4.5
57.07080	6.5
59.04972	2.4
62.21437	0.7
65.03925	0.9
66.03796	0.6
67.05514	8.6
69.03436	8.0
69.07034	3.0
70.26554	1.4
70.26913	1.7
71.04977	0.7
77.03908	0.9
79.05499	8.3
81.06667	0.8
81.07059	11.0
83.04953	2.9
83.08608	1.6
85.06521	2.5
86.45657	0.7
91.05489	16.4
93.06490	1.1
93.07052	21.0
95.04981	5.2
95.08611	14.7
97.06502	3.0
103.03294	0.6
103.05451	1.3
105.07044	23.2
107.04964	0.7
107.08597	13.7
107.57412	0.7
109.06527	5.6
109.10170	7.0
111.08030	1.2
115.05436	1.2
116.85352	0.7
117.07037	6.1
119.04887	0.7
119.08589	27.2
121.06490	4.0
121.10166	12.4
122.07283	1.0
123.08074	11.3
123.11687	1.5
125.06001	3.4
128.06192	2.8
129.06978	6.1
130.07755	1.6
131.08574	8.9
133.06447	2.3
133.10144	12.6
135.08054	10.5
135.11713	3.6
137.05983	1.4
137.09627	14.6
139.07513	2.0
141.06969	2.6
142.07806	6.2
143.08571	10.6
144.09294	1.1
145.06477	0.7
145.10136	15.0
147.06947	1.5
147.08061	22.0
147.11751	3.5
149.09631	4.3
151.07558	9.3
151.11174	0.7
153.07002	1.2
154.07779	0.9
155.08594	5.4
156.09360	4.4
157.10136	18.5
158.10989	0.9
159.08063	3.5
159.11713	11.2
161.09576	5.2
161.13275	6.2
163.11188	7.7
165.09126	52.2
166.07779	0.9
167.08551	2.6
168.09346	3.2
169.10135	7.9
170.10989	3.2
171.08006	0.8
171.11713	11.5
173.09610	4.1
173.13240	3.4
174.10364	0.8
175.11243	3.7
175.14799	2.1
177.09116	2.5
177.12732	1.1
179.08551	1.9
179.10596	0.7
180.09300	1.2
181.10127	3.1
181.12248	7.3
182.10893	1.9
183.11687	11.6
184.12439	0.9
185.09656	1.3
185.13257	8.0
186.14110	0.9
187.11205	2.9
187.14857	1.3
188.11932	1.3
189.12711	3.8
191.10681	3.9
191.14330	0.9
193.10152	2.8
194.10919	2.2
195.11703	4.3
195.13708	1.2
196.12502	2.3
197.09662	1.2
197.13223	5.0
199.11211	1.9
199.14783	1.9
200.12071	0.8
200.17715	0.7
201.12686	2.1
201.16399	1.0
203.14336	18.2
205.12357	0.7
206.10921	1.6
207.11667	2.2
207.13828	6.1
208.12486	1.1
209.13318	5.2
210.14204	0.9
211.11200	1.6
211.14832	5.1
212.11972	0.9
213.12766	2.7
215.10753	1.0
215.14281	1.3
219.11670	0.8
220.12378	0.8
221.15376	100.0
223.11264	1.1
223.14796	2.6
225.12744	2.7
225.16393	1.4
227.14320	0.9
229.12198	0.8
229.15892	2.1
231.13763	1.8
233.13187	1.9
233.15404	2.1
234.14001	0.8
235.14874	1.5
237.12857	1.7
237.16429	1.1
239.14319	0.9
239.18146	0.8
243.13823	1.0
243.17406	0.9
245.13330	0.9
246.14023	0.8
247.14554	1.8
247.16962	16.7
249.16257	1.1
251.14288	1.2
251.18042	1.0
253.16087	0.9
263.17990	0.9
265.15894	1.2
267.17340	0.9
269.18997	0.9
281.19055	1.4
285.18570	1.0
286.19009	0.9
287.20126	7.1
289.19504	0.8
299.20111	6.2
301.21783	1.7
309.18445	0.8
311.19989	1.6
313.21579	2.5
325.21738	2.0
327.23203	2.1
365.24643	3.7
373.25305	1.3
391.26367	8.7
413.26990	1.3
419.29486	3.0
427.28436	5.9
453.29840	2.0
507.34760	8.3
519.35101	3.7
581.39984	2.6
599.40991	58.5
600.41766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07679	0.7
70.15036	1.6
70.15426	1.5
79.22742	0.7
150.93027	0.7
177.07007	2.8
179.08545	1.4
205.06537	15.0
207.08096	2.2
217.06410	0.9
231.51924	0.8
233.05998	12.0
235.07565	26.2
263.07050	52.4
278.02356	0.8
293.08090	100.0
294.08420	2.4
310.10742	33.2
312.87729	0.8
313.95032	0.7
341.22058	0.8
349.71454	0.8
451.25412	0.8
522.92004	0.9
598.26514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04525	2.5
67.05520	0.6
69.03413	0.7
69.04571	1.0
69.07063	1.0
69.87608	2.3
69.87997	1.1
70.77966	0.5
73.69943	0.5
75.05623	1.0
79.05502	0.8
81.07074	1.1
86.09713	100.0
87.05602	0.6
87.10075	0.6
91.05479	2.6
93.37224	0.6
95.08607	0.8
98.09699	10.9
98.21456	0.8
99.05607	3.7
100.62530	0.6
103.05451	1.0
105.07101	0.9
107.04961	1.6
107.08568	0.8
109.04018	0.7
111.05538	0.6
115.05033	0.8
117.06614	1.5
119.04967	0.7
119.08661	0.7
121.06520	1.0
123.04466	0.6
126.09184	1.2
127.05036	6.5
127.12350	0.7
131.08574	0.6
133.06471	0.8
137.05995	1.0
139.05031	2.9
143.04976	1.2
143.11812	20.4
143.12949	1.1
145.06113	4.9
147.04384	0.9
154.15909	7.3
155.11848	2.6
156.07733	3.3
156.97531	0.6
157.02898	0.6
157.06233	1.1
162.08849	0.8
167.07069	2.6
167.11774	3.4
168.07489	0.7
171.11298	8.8
172.07062	0.8
175.03992	1.3
178.08711	1.9
179.08998	0.6
181.04973	1.7
181.09752	1.3
183.11340	3.1
183.18622	0.7
184.07219	6.5
185.12872	6.6
188.14102	0.9
191.07068	1.2
195.11305	5.5
199.10878	0.9
199.18147	1.6
201.09854	1.2
202.08299	2.2
202.99178	0.5
206.04506	1.3
206.08128	1.1
207.06532	2.4
210.12413	0.8
211.18071	22.0
212.14006	0.8
213.10229	0.9
213.12375	5.0
222.12483	1.3
224.13994	2.2
227.17595	0.9
228.13501	2.1
239.17569	8.8
240.13420	2.9
241.09242	2.9
252.13464	8.0
258.14594	2.0
266.18436	0.8
269.16162	4.7
270.14465	6.0
279.14590	0.9
284.19748	2.0
287.17282	3.1
296.19733	2.5
297.15656	3.7
309.15643	1.6
315.16647	3.2
326.18301	2.4
327.16687	1.3
336.16531	1.0
337.22488	0.9
341.22052	2.1
344.19287	1.6
352.26022	1.9
353.22162	1.4
354.17789	2.4
355.23419	2.0
360.76340	0.7
365.21826	1.7
372.18781	2.2
382.24185	0.9
383.22876	6.2
400.25870	2.8
409.27991	1.4
410.24039	4.7
422.24124	1.7
426.30597	1.0
428.25107	2.6
439.26575	1.9
440.25269	3.2
449.25134	2.0
450.24179	0.9
457.27698	6.9
467.26184	13.3
468.31750	0.9
478.30286	2.1
485.27258	8.9
496.31400	4.1
523.32294	0.7
525.33807	1.0
535.32513	1.7
552.35150	3.9
553.33301	3.0
562.33472	6.0
570.36169	13.1
580.34576	21.2
598.26147	5.4
598.35657	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91869	0.4
69.92212	2.2
71.88697	0.4
72.04523	0.5
87.44216	0.4
87.59464	0.5
91.05505	4.1
93.07037	0.4
95.04985	1.0
103.05485	0.9
105.07030	0.8
107.04961	3.7
109.02851	0.6
109.06522	0.6
115.05477	7.7
117.07019	1.0
118.06574	0.7
119.04942	2.6
119.30496	0.4
121.06628	0.4
122.03735	0.4
123.04483	0.5
129.06999	0.7
130.51082	0.4
131.04967	1.7
131.07294	0.5
131.08537	0.5
132.05745	0.5
132.08115	0.8
133.06505	0.6
137.05978	4.2
143.04927	21.5
144.05658	0.5
145.06505	1.4
146.03725	0.6
146.06050	1.7
147.04323	0.5
147.08057	0.5
149.06047	0.6
151.07556	6.9
159.04446	0.6
160.05241	3.3
160.07628	1.8
161.06010	2.8
163.06302	14.7
163.07545	1.3
165.07028	0.7
167.07079	0.9
174.06818	1.3
175.07564	16.7
176.07149	0.8
177.07996	0.5
178.08643	44.8
179.08647	1.8
191.08641	1.4
192.10336	3.3
195.08089	1.3
199.07631	0.9
206.08141	22.3
207.08092	3.1
208.08696	0.6
209.09663	0.6
210.06845	0.6
211.07541	2.1
213.09155	2.1
219.08096	1.8
220.09778	2.1
221.09595	0.5
223.07631	1.9
224.08415	1.7
225.09056	2.1
227.10814	0.6
233.06178	0.5
234.06837	0.8
235.07596	3.5
236.08437	1.1
237.09105	5.4
238.09961	0.8
239.10753	1.2
249.09055	0.6
250.09970	0.8
251.07161	1.2
251.10794	0.5
252.07848	1.2
252.11508	7.1
253.08711	2.5
253.11134	0.4
255.10143	1.1
265.08673	0.7
265.12494	0.5
266.09494	1.1
267.10211	5.7
268.10898	3.4
283.09738	1.1
360.13940	0.5
373.14508	1.8
387.15674	0.6
418.16333	0.5
473.01767	0.5
503.18463	0.6
535.20825	0.8
543.75519	0.5
552.23706	1.2
557.21533	0.5
569.26990	0.8
580.23682	0.8
597.25977	100.0
598.26392	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	597.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.83950	0.3
65.03928	0.4
69.03424	0.3
70.21407	0.2
70.58704	0.6
70.59089	0.6
72.04533	0.6
79.05476	0.7
81.07036	0.4
91.05482	5.2
95.04968	0.9
103.05482	0.7
105.03380	0.6
105.07011	0.8
107.04949	3.6
109.06518	0.3
115.04681	0.5
115.05464	8.3
117.07018	1.0
118.06535	0.8
119.04950	3.0
119.08643	0.3
121.06498	0.5
121.22825	0.2
123.04388	0.4
123.62759	0.2
128.06223	0.4
129.07022	0.8
131.04947	2.2
132.05806	0.3
132.08054	0.9
133.06516	0.4
134.06049	0.4
135.04446	0.5
135.06804	0.8
136.05168	0.7
137.05980	5.2
143.04929	25.0
144.05685	1.0
145.06511	1.4
146.03595	0.5
146.06018	1.5
147.04491	0.6
147.08058	0.5
149.05946	0.4
151.07558	6.1
152.06291	0.3
159.04439	0.8
160.05226	4.3
160.07574	3.0
161.05995	3.6
161.08427	0.2
162.05501	0.4
162.06766	0.3
163.06306	14.4
163.07544	1.4
164.07007	0.3
165.05659	0.3
165.07048	0.7
167.07074	0.7
167.08588	0.6
169.06439	0.3
173.06029	0.4
174.06796	0.9
175.07559	17.3
176.07060	0.6
177.07849	0.7
178.08647	60.5
179.08592	1.9
181.05051	0.6
181.06534	0.9
181.10231	0.3
183.08044	0.3
189.07053	0.4
189.09100	0.4
190.08830	0.3
191.07086	0.4
191.08658	1.1
192.10280	4.8
193.10213	0.3
194.07295	0.7
195.06479	0.3
195.08092	1.5
197.09656	0.3
199.07521	1.7
203.08603	0.4
205.06497	0.7
206.08154	9.0
207.08055	4.5
208.08896	0.4
209.09615	0.5
210.06778	0.6
211.07468	2.3
211.10860	0.3
213.09097	2.3
218.07303	0.5
219.08055	1.8
220.09808	2.9
221.05951	0.5
221.09676	0.9
222.06781	0.5
222.10298	0.4
223.07550	2.7
224.08337	1.1
225.09119	1.6
227.10748	0.7
233.05968	0.4
233.09734	0.3
234.06726	0.7
235.07550	4.4
236.08273	1.8
237.09103	4.0
238.09906	0.7
239.06999	0.4
239.10657	1.2
240.07864	0.7
249.09180	1.2
250.09857	1.0
251.06984	1.5
251.10707	0.8
252.07889	1.3
252.11496	4.4
253.08611	3.2
253.11295	0.4
254.09424	0.5
255.10220	2.2
263.10535	0.3
265.08609	0.7
266.09363	1.2
267.10150	3.6
268.10995	4.5
283.09708	2.0
341.11697	0.8
355.13242	0.4
359.12625	0.4
371.12958	0.3
373.14423	2.2
387.15756	0.8
390.16916	0.7
417.15472	0.4
503.18378	0.4
531.02820	0.3
535.21240	1.1
541.27899	0.3
552.23956	0.9
569.26556	0.9
580.23474	2.3
597.25964	100.0
598.26233	3.9
598.35138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.8
56.05035	1.7
65.03947	1.8
68.99810	4.0
70.02964	4.0
70.55336	4.4
74.00677	1.8
74.02445	1.7
76.03983	2.0
83.06105	11.2
84.04510	22.9
85.02908	1.5
93.03401	1.5
95.04975	1.7
98.00700	1.3
103.83197	1.3
107.04970	6.6
107.06089	2.1
109.07664	3.9
111.04446	4.5
112.03978	10.1
115.05477	2.1
116.01685	1.9
118.06572	2.6
119.04946	2.7
123.04443	11.4
124.04783	2.3
127.03926	17.7
128.04285	4.8
129.06607	19.4
130.05011	38.9
131.04863	1.5
135.02614	3.8
135.04436	6.7
136.02129	2.2
137.00560	2.4
139.03911	86.3
140.04262	4.8
144.08224	2.0
145.06090	13.9
146.06023	9.2
147.04422	4.1
148.05205	11.1
149.00566	10.0
151.02187	2.9
151.03925	4.9
153.03687	3.8
153.06676	4.1
155.01625	26.4
155.08185	4.5
161.06020	2.6
162.03769	7.1
162.05458	9.4
163.02167	11.9
163.03923	35.2
164.01685	2.0
164.04228	3.5
165.00046	5.1
165.53549	1.7
167.01653	5.0
175.06285	4.8
179.01666	16.0
181.03195	24.8
181.06209	3.3
182.02779	4.3
183.01132	5.6
184.04353	2.3
188.07085	14.8
189.07402	7.4
190.03232	3.8
191.01616	3.6
191.03348	2.1
192.03812	1.9
195.01149	1.9
196.04303	8.3
197.05916	1.9
199.07150	5.5
205.09779	5.3
206.10030	3.1
207.01006	2.7
208.04282	29.0
209.02725	6.1
213.08780	1.8
219.01149	2.5
220.04308	3.2
226.05418	4.5
229.03159	2.9
233.02789	1.7
246.05101	1.8
247.06061	4.2
248.06470	4.1
255.10117	1.6
257.02493	7.0
265.06244	2.9
270.05304	8.0
272.06464	2.6
272.12692	1.8
282.04385	6.7
285.02188	6.0
287.07108	3.5
288.05972	2.6
289.07083	3.3
296.06796	2.0
299.06970	28.8
301.07123	2.3
302.07385	2.7
303.03229	87.0
311.06976	100.0
312.05450	5.2
326.07700	1.7
329.04718	4.6
329.08072	33.4
346.07339	3.0
347.05823	1.6
353.08374	2.3
365.08475	2.3
383.09109	20.5
410.09753	2.0
426.08469	1.8
432.07620	2.0
434.17972	1.7
449.10162	28.4
458.12296	38.1
476.53653	1.6
487.11658	1.6
503.11218	20.2
521.12268	16.2
578.14850	2.6
596.23358	6.2
622.58887	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01629	1.1
55.01875	19.4
58.84523	1.0
60.04523	0.9
63.64275	0.8
65.03941	2.6
67.05502	1.4
69.52983	6.5
74.00683	2.2
76.02248	1.0
76.04006	2.6
81.03417	1.2
83.04990	1.0
83.06103	8.0
84.04512	31.4
85.01117	0.9
99.02698	4.5
107.04967	1.9
111.04438	2.5
111.08347	0.9
112.03976	22.5
119.04969	1.2
121.02873	0.9
123.04433	2.1
127.02147	19.4
127.03909	1.5
129.06607	15.2
130.05013	82.5
135.02640	8.9
139.03912	70.7
140.04182	0.9
147.04404	1.1
147.07687	1.4
149.00584	1.1
151.02190	1.2
151.03915	2.7
153.03732	1.1
153.05453	1.1
153.06606	1.3
155.01611	27.1
155.08189	0.9
163.02144	15.2
163.03917	23.1
165.00049	1.8
167.01620	2.1
175.02170	2.7
177.03392	1.0
178.03249	1.3
179.01625	23.2
179.03108	1.8
181.03261	4.7
181.06232	1.1
183.01126	47.6
187.07912	0.9
189.00082	3.2
191.01631	13.1
193.03250	1.2
196.04286	3.5
199.07085	2.0
203.01620	9.1
207.01115	2.6
208.04272	3.2
209.02699	15.3
217.03207	1.0
219.01123	2.2
221.02583	1.9
226.05362	6.4
237.02184	3.6
242.05681	2.6
266.04834	1.1
270.05231	3.6
275.03561	1.8
281.05984	2.9
282.04309	13.1
287.05667	1.2
288.05945	1.8
292.06415	1.5
299.06995	2.2
303.03171	20.0
311.07187	1.3
312.05402	12.0
329.08038	100.0
330.08374	1.5
346.07413	2.8
347.05798	3.1
365.08054	1.8
383.09140	14.4
395.09198	1.4
432.07431	3.4
440.11176	3.5
449.10123	9.0
452.11176	1.1
458.12314	58.0
459.12650	0.9
467.11182	2.9
491.09192	1.1
503.10959	4.5
521.12250	14.8
525.39972	1.0
578.14233	2.5
596.15210	9.2
596.23645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Kaempferol 3-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.72037	2.3
53.03954	3.0
53.65516	1.8
55.01875	6.8
57.03430	8.6
59.00658	1.8
61.02935	10.8
69.03431	30.2
71.04996	11.2
72.25124	1.7
72.70985	1.9
73.02920	8.6
81.03419	9.5
82.32041	1.8
83.04984	8.4
85.02910	100.0
87.04467	3.2
88.81837	1.9
91.03956	4.8
91.05499	2.9
93.07076	2.3
97.02886	27.8
99.04440	5.4
105.07044	2.4
109.02898	10.9
111.04475	6.9
115.03914	3.9
119.04970	3.3
121.02898	5.5
123.04449	3.2
125.96870	2.0
127.03918	29.0
129.05513	6.0
133.04987	5.8
139.03934	5.1
145.04958	28.5
147.04382	2.3
147.06516	2.2
151.07568	3.2
163.03914	2.6
163.06030	5.0
167.07005	2.5
175.04034	2.1
178.08536	1.8
179.05554	2.6
200.60905	2.1
207.06554	4.8
213.05380	2.7
229.07353	2.1
255.08713	3.1
258.05267	4.8
286.04779	9.9
287.05521	86.5
296.60208	2.1
299.05548	7.3
301.07065	37.2
322.60278	2.1
329.06491	10.7
338.93634	2.3
353.06662	3.0
379.07837	2.7
397.09085	7.2
415.09903	2.6
424.13498	2.3
433.11346	3.2
463.12473	3.2
509.50751	2.3
530.81494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
50.28243	1.9
55.05383	2.1
57.03418	2.9
65.03973	2.1
66.87747	2.0
69.03428	3.1
69.78521	8.5
80.54385	2.7
81.03404	2.1
85.02924	7.7
89.06035	8.6
90.35323	1.8
103.03947	2.6
109.02911	2.3
116.54691	2.3
117.97630	2.2
119.04961	8.6
119.09370	1.8
121.02866	32.3
121.77977	2.4
122.34748	1.9
133.08662	3.2
145.02853	6.1
159.04485	2.1
161.06018	2.2
163.03934	2.1
177.01859	3.5
177.05479	2.7
177.11285	2.7
185.31874	2.1
189.01880	10.5
191.03401	7.5
195.02869	6.2
201.01768	2.5
203.03439	8.4
207.02937	7.3
215.03450	3.0
215.78993	2.2
217.04977	5.1
217.24257	2.2
219.02872	5.8
221.04568	3.0
227.03557	3.8
229.04959	3.7
243.02945	2.2
255.02826	3.3
267.06573	2.7
268.07474	5.0
279.06522	4.9
281.08072	4.7
283.06036	8.2
285.03986	5.0
293.07962	3.6
294.05255	21.1
295.06067	76.0
296.06750	5.6
297.07712	10.2
307.06049	46.2
308.06845	16.1
309.07483	15.7
313.07196	6.2
319.06107	7.7
320.06793	6.1
321.07565	27.8
322.08374	10.4
323.09039	4.7
323.35669	2.1
325.07086	89.8
329.07947	3.2
333.07672	5.5
335.05566	3.1
335.09195	19.0
336.06470	2.4
337.07059	57.8
337.11115	3.1
338.07449	3.2
347.09167	10.3
349.07031	29.2
351.08679	23.1
355.08176	20.8
361.07022	17.3
361.10855	3.0
363.08676	8.2
365.10226	11.4
367.08029	5.0
373.06912	5.5
375.08630	10.7
379.08139	52.6
385.07071	2.7
389.10190	3.8
391.08182	31.5
393.09882	3.2
401.10068	3.9
403.08188	22.7
409.09250	53.2
410.09671	2.4
421.09134	22.5
427.10281	39.4
433.09094	3.7
439.10352	30.3
445.10187	4.2
457.11368	100.0
463.10107	4.2
475.12411	18.6
481.11340	31.3
493.11859	3.2
499.12332	21.0
505.11185	7.0
511.12372	19.3
523.12372	21.3
529.13336	8.9
541.13446	23.3
559.14471	20.7
577.15588	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	595.1662
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
55.01894	1.3
57.03438	7.5
57.03659	1.3
62.84266	1.2
68.99792	1.4
69.03414	1.4
70.99891	2.8
71.05003	35.3
75.80621	1.1
83.04958	2.0
85.02911	40.1
90.76510	1.3
97.06542	1.2
109.02875	2.6
121.02866	4.2
122.67919	1.2
123.04430	2.0
127.03910	2.1
129.05450	5.8
131.05013	1.5
135.04413	2.8
137.02367	5.3
139.03918	2.4
141.01865	2.5
147.04344	1.5
147.06529	1.6
149.02365	1.7
161.02356	2.1
163.03891	3.8
164.07181	1.2
165.01839	13.2
166.88153	1.3
167.03365	4.2
177.01828	2.2
177.05507	1.8
178.08624	2.0
181.05000	2.9
183.02901	5.4
187.03996	1.5
191.03433	2.4
195.02916	3.5
205.04878	1.7
241.32526	1.3
243.02870	1.8
245.04652	1.5
247.06064	1.5
255.06532	2.3
267.06693	3.0
271.06088	4.4
276.62186	2.5
281.08224	2.4
283.06046	41.6
284.06607	4.0
285.13666	2.6
286.04703	3.3
287.05554	11.5
295.05981	7.1
296.06403	1.4
297.07495	7.3
299.05511	100.0
300.06207	11.6
307.05685	1.5
309.07590	9.6
311.05594	11.6
311.08868	2.2
313.07111	30.5
321.07608	3.2
323.05582	2.5
323.09140	5.7
324.06317	2.3
325.03580	2.1
325.07050	22.2
329.06580	97.7
337.07086	18.6
339.04987	1.2
339.08685	18.6
349.07166	8.6
349.10678	1.7
353.02173	2.9
353.06543	45.9
361.06891	3.9
365.06573	12.6
367.08139	14.6
377.06586	11.4
379.08084	8.8
383.07568	30.1
395.07617	16.9
397.09302	8.6
398.67999	2.0
413.08643	22.3
415.10269	15.5
421.09396	1.5
431.09772	45.2
433.11206	4.2
449.10852	54.0
457.11783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.05520	0.2
57.03440	2.0
61.02913	0.3
61.16671	0.2
68.99788	0.4
69.03425	0.9
70.49944	0.4
70.50302	0.3
71.05000	10.6
73.02918	0.5
75.04470	0.5
81.03411	0.6
83.04982	0.7
85.02913	14.0
87.04464	0.3
87.14146	0.2
97.02899	1.2
99.04445	0.2
105.03367	0.3
107.04976	0.4
109.02891	0.6
111.00806	0.5
111.04453	0.5
121.02881	2.4
121.36002	0.2
127.03905	1.0
129.05490	3.4
133.02844	0.6
137.02353	0.6
145.04961	0.6
147.04388	0.6
147.06525	0.9
153.01837	3.0
157.06502	0.3
165.01839	1.5
183.02936	0.6
185.05962	0.4
189.63963	0.2
197.06078	0.2
213.05455	1.0
231.06563	0.5
241.04979	0.6
258.05280	1.0
259.06018	0.3
271.80908	0.2
287.05518	100.0
288.05804	1.5
291.57910	0.2
329.06424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Kaempferol 3-(4''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
53.03940	1.7
55.05508	3.3
55.19497	1.0
65.03932	3.0
67.05497	2.2
69.03430	6.9
70.06603	1.6
71.57201	1.4
74.34264	1.0
78.04713	2.0
78.88143	1.0
79.05504	3.2
80.44347	1.0
81.03417	2.1
81.07053	3.7
83.04986	15.4
85.02917	2.7
91.05479	16.1
93.07053	3.8
94.04175	1.1
95.04986	5.2
95.08594	3.0
97.06571	2.0
99.08109	1.1
103.05473	2.2
105.07047	4.1
106.04160	1.3
107.04963	11.4
107.08591	2.0
107.69698	0.9
109.02831	1.4
109.10168	1.7
111.04463	8.4
115.05438	3.2
117.03409	1.7
117.06995	2.0
119.04957	24.5
119.08598	1.9
121.02884	5.2
121.06481	1.5
123.04456	3.6
123.11734	1.1
124.05161	1.1
127.03951	2.6
129.05510	1.8
129.06950	1.3
131.04930	2.5
131.08549	1.5
133.06570	2.2
133.10193	1.2
134.03650	1.5
135.04492	3.1
135.08029	1.1
137.05994	4.7
139.03955	1.2
139.46082	0.9
145.02863	1.5
145.06512	2.9
145.10245	1.6
147.04417	100.0
148.04883	1.3
149.05991	2.1
151.03938	2.0
151.07564	3.9
155.08560	1.1
159.08170	1.2
161.05984	3.1
163.03914	11.8
163.07578	1.6
165.05553	3.3
165.06929	1.3
167.07066	25.9
169.05003	2.7
169.06636	1.2
173.06004	3.7
175.03903	1.2
175.07599	2.0
177.05481	2.5
179.07062	4.2
181.04987	11.6
181.08556	1.2
184.88678	1.0
187.07530	1.8
191.07094	2.5
195.06467	1.2
203.07060	1.5
205.08551	2.2
207.06532	1.6
209.08136	1.5
213.09218	2.1
217.12183	1.0
219.08357	1.0
233.08038	1.6
235.07661	1.8
257.08197	1.5
265.08502	1.3
275.09125	1.4
282.08887	1.3
286.12393	1.1
287.05539	7.8
293.10208	11.1
299.05566	1.4
303.05048	14.6
305.44940	1.0
315.04971	2.5
318.11243	1.1
325.10785	1.3
327.05020	1.7
343.11456	2.3
345.05963	1.9
357.13251	1.2
359.11395	1.7
369.06525	1.4
369.12988	1.2
385.12979	2.9
411.14096	2.3
416.14600	3.4
565.20563	1.9
595.21930	12.9
595.30280	1.4
611.38995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
53.03958	1.2
55.01895	0.9
55.86129	1.0
59.09636	1.0
65.03952	1.2
67.01852	1.6
68.99792	6.0
69.63425	5.5
69.63831	2.4
71.01378	1.3
81.03419	2.1
87.13947	1.1
89.03915	2.0
93.03349	1.3
95.04981	1.6
99.04487	1.8
107.04969	4.0
109.02886	3.6
111.00816	2.3
111.04454	3.2
115.69852	1.1
121.02847	2.5
123.04433	21.3
126.15355	1.0
127.03922	100.0
131.04903	3.0
133.02823	1.4
135.04425	36.5
135.05428	2.2
137.02344	2.1
139.03906	87.7
145.06491	1.8
147.04388	2.0
149.02304	2.6
149.05972	1.9
151.03911	8.6
155.04967	2.0
159.04411	3.5
161.05986	1.8
163.03917	38.9
167.03433	8.2
169.06467	1.9
173.05988	3.1
175.03914	3.5
177.05492	4.6
179.03403	3.3
181.04948	3.0
185.06023	1.3
187.03873	6.0
189.05470	1.6
191.03389	9.9
193.05043	2.8
197.05934	3.2
201.05434	7.4
203.03447	6.4
203.06982	1.6
205.05002	4.1
208.48160	1.2
213.05518	2.1
215.06992	2.4
217.05034	2.1
225.05495	1.1
227.07079	1.2
229.04965	8.0
233.04422	5.5
243.06578	3.9
245.04376	5.6
247.03439	2.0
247.06021	40.7
255.06651	1.1
257.04526	9.2
259.06097	7.6
269.04440	1.3
271.06000	15.5
273.07663	1.6
275.05560	11.6
283.06091	9.2
287.05539	16.8
289.07047	11.3
299.05490	1.7
301.07086	13.9
307.08176	7.9
311.05856	1.2
322.40988	1.0
364.50183	1.1
409.09219	11.2
425.08481	5.3
427.10437	6.7
443.09683	3.9
443.88690	1.3
452.41269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1457
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
53.03965	1.4
53.18882	1.0
55.01876	2.4
57.03396	1.0
68.99796	6.2
69.64742	7.6
71.73053	1.0
74.11072	1.0
77.03912	1.0
81.03432	4.1
81.30891	1.0
85.02917	3.7
91.05495	1.2
95.04979	1.6
97.02886	2.3
98.20810	1.3
99.04469	2.4
101.00878	1.3
107.01334	1.1
107.04972	4.5
109.02885	3.6
111.00827	4.2
111.04460	4.1
117.03412	1.2
117.06992	1.5
119.01881	1.7
119.04933	1.5
121.02866	3.1
123.04451	24.6
127.03928	100.0
131.04970	2.2
135.04420	31.5
135.05411	2.0
137.02339	2.4
137.05927	1.2
139.03914	94.8
140.04236	1.5
141.06912	1.1
147.04387	1.5
149.02393	4.3
149.06042	1.4
151.03905	13.5
153.06989	1.5
155.04990	1.0
157.03465	1.1
159.04462	4.0
161.06018	2.3
163.03922	41.6
165.05516	2.6
167.03439	5.7
169.06508	2.5
173.06026	3.3
175.03949	2.1
177.05504	5.1
179.03436	2.9
181.04996	4.2
181.06544	1.2
183.04430	2.0
185.01341	1.1
187.03978	4.6
189.05618	1.7
191.03392	11.8
193.05025	3.9
196.68462	1.0
197.06087	3.6
201.05482	8.4
203.03406	8.7
203.06920	1.3
205.05017	3.0
213.05536	2.3
215.03365	1.5
215.07115	2.4
217.05025	2.0
221.05020	2.5
225.05930	1.3
229.05032	9.1
231.06660	1.8
233.04465	4.9
241.04941	1.5
243.06485	4.2
245.04611	7.2
247.06070	44.6
251.05502	2.1
255.06572	2.4
257.04449	11.7
258.05106	1.9
259.05997	8.8
261.07687	1.7
269.04446	2.3
271.06018	18.1
275.05542	17.6
283.06030	10.2
285.08115	1.1
287.05496	19.6
289.07144	17.8
299.05527	4.7
301.07123	17.5
307.08163	7.6
309.15506	2.1
319.08109	1.8
407.07703	1.7
409.09155	14.4
425.08704	9.3
427.10168	8.8
429.19373	1.5
443.09555	3.3
540.26306	1.2
595.15961	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03915	0.4
57.65513	0.3
58.83834	0.3
70.21691	1.3
98.21478	0.7
98.85455	0.4
100.63382	0.3
101.89498	0.4
112.08859	0.4
189.82774	0.4
247.12704	0.4
282.29443	0.4
387.15939	0.6
389.17630	1.5
390.18298	0.5
391.19308	0.5
400.17700	0.5
401.17746	0.5
402.18506	1.1
403.19287	4.0
404.19998	2.1
405.20618	2.2
416.15561	0.6
416.20346	0.9
417.15918	0.8
417.21246	5.5
418.21921	2.7
419.22348	4.8
430.17740	1.2
431.18213	10.6
432.18622	2.6
432.24103	0.8
433.24066	9.7
434.24625	1.7
444.18979	0.7
445.19995	13.2
446.20612	5.7
447.21661	5.2
449.23438	0.5
449.60260	0.4
459.21494	4.8
460.22580	17.4
461.23322	14.7
463.20953	0.4
473.23605	3.0
474.24017	1.1
476.25800	1.6
477.22699	1.1
477.27444	0.6
487.24716	1.4
491.24503	1.0
492.25137	1.4
505.21915	5.6
515.24274	0.5
518.22968	1.0
519.23755	0.9
533.25488	50.4
534.25848	1.9
561.24109	0.5
564.23499	0.7
565.28058	1.4
575.26392	0.6
593.27576	100.0
594.28021	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	595.1446
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
50.21394	0.9
55.01868	1.6
61.92950	0.8
65.03957	0.9
67.05494	1.1
67.49269	0.8
68.99797	5.2
70.74084	2.2
79.05480	1.6
81.03390	2.7
89.03913	1.5
93.03427	1.7
95.04956	1.3
107.04945	3.0
109.02856	2.9
110.69812	0.8
110.70600	0.9
111.00771	2.5
111.04436	4.9
115.05456	1.5
117.03374	1.9
121.02876	2.7
123.04436	19.8
127.03924	100.0
131.04900	3.0
133.02788	1.0
135.04416	37.8
137.02362	2.9
139.03906	96.1
145.02898	1.2
147.04398	1.8
149.02350	4.7
149.05989	1.8
151.03909	17.0
159.04402	3.7
161.05934	2.1
163.03920	42.9
163.70244	0.9
165.05469	1.7
167.03407	5.1
169.04999	1.3
169.06540	2.4
173.06013	2.1
175.03899	3.6
177.05489	5.1
179.03409	3.4
181.04948	3.3
185.05925	1.3
187.03839	5.8
189.05443	2.8
191.03381	10.3
191.07048	1.1
193.05008	4.2
197.05959	3.5
201.05498	8.0
203.03418	7.1
203.06978	1.2
205.04948	3.2
215.03455	1.0
215.07021	2.9
217.05035	1.5
225.05382	1.1
227.07001	1.1
229.04959	10.3
231.06567	1.8
233.04529	4.5
243.06602	4.8
245.04471	7.1
247.06027	39.7
255.06532	2.2
257.04440	12.2
258.05225	1.9
259.06009	8.9
261.07608	1.2
269.04373	1.6
271.06000	17.9
275.05499	12.8
283.06036	7.0
287.05475	20.5
289.07101	20.3
299.05450	2.8
301.07114	18.0
307.08197	10.1
313.07303	1.2
319.08099	1.4
337.06900	1.0
386.83911	0.8
407.07516	2.0
409.09167	12.5
425.08694	8.8
427.10306	7.4
443.09720	3.6
451.10132	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1657
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
53.03962	0.9
55.01895	1.7
65.03951	1.2
67.05521	2.9
68.99815	1.7
69.03464	1.0
70.06628	0.5
71.57671	0.9
77.03951	0.6
79.05489	1.0
81.03432	1.5
81.07062	0.7
83.05013	1.5
83.37773	0.7
85.02936	0.8
91.05513	1.9
93.07078	0.9
94.55782	0.6
95.04974	5.0
97.02897	1.3
105.03402	1.4
105.07061	1.9
107.04964	2.9
109.02882	4.8
109.06550	0.7
111.04477	2.4
113.19242	0.6
115.05480	0.6
119.04962	4.1
119.08585	1.1
123.04434	64.8
127.03900	1.7
133.10152	0.9
135.04433	4.9
137.02350	0.8
137.05986	1.1
139.03912	91.0
143.04964	0.8
143.08632	0.8
147.04413	13.9
149.06009	1.1
151.03911	100.0
153.05515	2.2
161.05989	3.6
163.03908	9.3
165.05481	9.5
165.06837	0.8
169.04926	2.7
173.05983	1.7
175.03793	0.6
175.07655	0.6
177.05440	1.4
179.07019	1.9
181.04927	2.4
181.06413	0.6
189.05502	0.9
193.04984	6.4
207.06415	4.1
210.56711	0.7
215.07132	3.0
217.08469	0.9
239.07072	1.0
247.13268	2.5
273.07446	2.7
285.07559	5.0
289.07089	31.3
291.05319	0.7
291.08630	23.7
301.07095	20.8
303.08640	40.8
423.10962	4.6
441.11832	26.7
453.11496	1.5
480.17392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.83959	0.3
71.45329	0.7
82.55521	0.3
82.99384	0.3
83.61905	0.3
206.08289	0.4
340.22174	0.3
359.79831	0.4
388.16953	0.3
389.17630	0.7
402.18457	0.7
403.19095	1.9
404.20102	0.8
405.20850	1.4
415.19601	0.5
417.21368	2.4
418.21564	1.2
419.22546	2.5
430.17593	0.5
431.18240	5.4
432.18665	1.9
433.24323	4.0
434.24765	1.1
445.19965	5.7
446.20740	3.5
447.21805	4.0
459.21350	2.4
460.22571	9.2
461.23221	7.6
464.22260	0.4
473.24127	1.6
476.26126	0.8
487.24908	1.3
491.24570	0.9
492.25360	1.1
505.22037	4.8
518.23071	0.4
519.23981	1.0
533.25513	22.3
534.26129	0.5
549.23633	0.3
564.23645	0.6
565.27881	0.7
578.25323	0.4
593.27576	100.0
594.28027	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	592.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.9
56.63654	0.6
63.97734	0.6
68.05035	0.9
69.24564	6.5
69.24852	0.5
70.06595	12.1
77.43787	0.7
79.05524	0.7
84.04515	0.7
91.05471	1.1
95.04923	0.8
96.04496	36.4
103.05453	0.8
114.05537	100.0
116.07058	0.9
119.04964	2.1
121.02911	0.8
121.06517	1.1
122.05991	1.5
123.04440	11.6
125.03448	0.6
131.04898	0.7
135.04420	1.0
137.05945	1.0
137.32730	0.6
139.03947	0.8
147.04411	6.8
149.05988	4.4
151.07674	0.6
159.04376	0.9
163.03912	0.6
165.05510	4.6
165.09175	0.7
175.07613	1.2
177.05482	57.9
179.71199	0.7
187.07666	0.9
207.06541	2.5
242.08136	1.0
260.09262	1.5
278.10315	0.9
285.13629	1.5
295.09705	1.1
308.08963	0.7
312.12421	1.1
329.10193	20.0
386.15945	1.7
412.13913	3.1
430.15005	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
65.03934	0.8
67.01873	0.5
67.05518	0.5
67.18604	0.4
68.99787	3.7
69.82834	2.4
79.01869	0.5
79.05486	0.7
81.03429	0.5
83.04985	0.8
85.02898	1.2
89.03924	0.7
93.03416	0.9
95.04969	0.5
98.97587	0.8
107.04955	0.7
109.02895	0.6
111.00826	2.9
111.04429	2.1
121.02887	3.1
123.04419	1.7
127.03908	1.3
135.04417	1.8
137.05997	1.1
137.78262	0.4
139.03911	42.6
145.02823	1.0
145.06447	0.6
147.54765	0.5
151.03899	2.3
151.36514	0.4
153.05502	1.0
155.04938	0.7
157.06532	0.5
157.16994	0.5
163.03912	100.0
164.04225	0.6
165.05505	1.2
169.06459	1.0
173.05981	1.8
175.04028	0.6
177.05473	1.1
179.03403	0.7
181.05028	0.8
181.06599	0.5
183.04439	1.8
183.61569	0.4
185.06094	0.5
187.03925	1.3
191.03407	0.7
197.05994	1.9
199.04056	0.5
201.05473	5.2
211.03877	1.1
213.05434	1.4
215.03416	7.5
216.04230	0.5
221.05910	0.7
225.05464	1.8
227.07114	0.6
229.04970	11.2
233.04332	0.6
235.04231	0.5
237.05424	1.1
239.03488	0.6
239.07146	1.2
241.04962	1.4
243.02917	1.5
243.06551	1.1
244.03731	0.9
245.04543	1.0
249.05524	1.7
251.03383	0.6
251.07060	1.5
253.04932	4.6
257.04453	10.4
259.06168	1.3
261.03967	6.6
263.07056	0.6
265.04794	0.8
267.06473	2.4
269.04413	1.5
271.06036	2.0
273.04007	0.7
275.05502	34.8
276.05801	0.5
277.04984	2.0
279.06464	0.7
281.04523	4.2
281.07608	0.7
283.06036	0.7
287.05453	3.4
289.07019	0.6
291.06445	1.0
295.05991	7.4
297.07632	2.4
299.05469	5.2
301.06998	0.7
305.04376	0.7
305.07834	0.6
311.05533	0.7
315.08911	0.5
317.06369	0.6
319.06006	0.9
321.07721	0.7
323.05716	2.4
333.07553	1.6
337.07303	0.6
341.06570	1.6
351.08432	0.5
361.07068	2.5
364.06302	0.6
365.06506	1.1
379.08160	1.5
389.06540	3.4
393.05984	0.6
407.07623	17.5
408.07880	0.6
413.08713	1.1
421.09039	0.5
425.08691	37.9
437.08585	1.4
449.08722	2.6
455.09738	1.2
467.09714	2.2
575.11810	6.3
593.13141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.4
56.23283	0.4
59.54930	0.5
61.74833	0.4
67.77700	0.4
68.99795	0.9
70.06599	10.6
71.55486	0.6
76.02220	1.3
78.59595	0.4
79.05493	0.8
81.03407	1.5
85.02913	0.5
89.85509	0.5
91.05463	1.6
92.33414	0.4
93.07018	0.6
95.04999	0.7
96.04499	33.5
103.05462	0.9
105.07079	0.5
107.04955	0.7
114.05537	100.0
115.05869	0.5
119.04932	1.9
121.06512	1.9
122.06038	1.1
123.03561	0.9
123.04435	12.3
125.66396	0.5
135.04417	1.4
137.05962	0.8
139.03912	1.5
147.04414	8.2
149.06020	4.5
151.03860	0.7
159.04465	0.8
161.05948	1.2
162.02197	0.8
165.05486	5.9
175.03883	0.6
177.05482	56.9
178.08720	0.7
179.04866	0.6
189.05510	0.7
207.06526	1.7
216.10278	0.7
235.07584	0.8
253.99107	0.5
260.09296	1.3
265.08640	0.5
276.62308	0.8
278.10251	0.8
308.09225	1.1
329.10214	20.6
386.15894	1.3
412.13934	2.7
430.15002	40.2
592.19592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30383	0.7
51.58912	0.8
53.03945	0.7
55.01873	8.4
65.03945	0.8
67.05478	0.7
68.99793	1.7
69.03433	0.8
70.06593	10.5
71.56126	1.2
76.02247	1.5
81.03413	3.1
81.07105	0.8
82.98676	0.7
84.04539	0.6
85.02896	1.0
86.49734	0.8
91.05489	11.4
93.07027	0.8
95.04999	1.4
96.00797	0.8
96.04495	35.5
97.02937	0.8
103.05488	1.3
105.03346	0.9
105.07088	0.7
107.04961	3.0
114.05539	100.0
115.05511	0.7
119.04956	18.0
121.06510	2.5
122.06044	1.2
122.88033	0.9
123.04446	11.7
127.03960	1.0
128.03278	0.7
131.04980	1.3
135.04448	2.7
137.05995	2.4
139.03889	3.3
143.04921	0.9
144.22055	0.7
146.06023	1.0
147.04416	20.5
149.05980	5.1
151.03941	1.0
151.07556	4.4
157.04004	1.6
157.06483	0.9
161.06099	1.7
162.02165	1.1
162.06770	2.1
163.03983	0.9
163.06277	2.6
164.07033	0.9
165.05515	4.5
167.07100	0.9
175.03917	21.4
175.07562	0.9
177.05482	60.8
178.08656	28.6
179.04860	0.9
179.07027	1.3
187.07593	2.8
187.57622	0.7
207.06543	47.5
221.93639	0.7
224.09201	23.5
233.06018	1.0
235.07527	1.8
236.08180	0.9
237.09013	0.9
252.09526	1.3
260.09128	1.0
263.07162	1.1
268.10947	3.7
268.61224	0.9
276.62381	5.2
276.78592	0.7
277.12506	1.5
278.10263	1.1
285.13620	8.2
285.63754	2.9
295.09692	2.1
308.09116	1.6
312.12415	1.4
329.10223	18.8
351.10748	3.1
369.11890	1.7
386.15817	1.1
412.13971	3.4
430.15012	40.7
471.05997	0.7
493.33765	0.8
569.26233	0.8
592.19464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05300	1.4
55.05521	15.1
57.03449	10.0
57.07083	43.7
65.03946	3.1
67.05512	59.9
69.07076	15.9
69.91908	6.4
71.08640	25.8
79.05062	2.1
79.05502	31.3
81.07066	67.3
83.08636	12.8
85.06531	1.7
85.10197	13.2
91.05489	18.7
93.07058	43.8
95.04977	3.8
95.08618	62.7
97.06554	1.9
97.10178	7.8
103.07542	1.8
105.07034	16.0
107.07973	1.2
107.08617	24.3
109.10169	29.0
111.11724	2.5
117.07025	6.5
119.08592	11.2
121.10155	20.3
123.11736	14.9
129.30373	1.1
129.31549	1.7
131.08614	12.0
133.10155	12.9
135.11705	17.9
137.09650	1.8
137.13293	5.6
145.10152	9.0
147.11754	8.3
149.13266	13.1
151.14856	1.6
153.12833	1.4
159.11731	11.5
161.13304	7.2
163.14830	6.6
173.13260	12.5
175.14870	3.0
177.16463	2.4
187.14880	3.5
201.16478	1.7
205.15903	1.4
227.57944	1.5
233.22676	1.9
239.23772	5.7
243.21124	10.2
259.78879	1.5
261.22180	64.4
279.23245	2.6
299.23764	1.8
313.27399	100.0
314.27771	2.9
317.24796	13.4
335.25845	62.8
377.91141	1.4
499.44531	1.6
518.82526	1.4
573.48926	17.6
574.49390	1.8
591.49866	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	591.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37916	4.7
51.93811	5.5
53.03954	5.3
55.05495	14.9
57.03422	12.9
57.07079	40.4
58.01515	4.3
67.05511	60.8
69.07061	15.8
70.84203	9.2
70.84523	6.1
71.08638	29.6
71.55336	4.1
72.45255	5.0
75.67182	4.0
79.05499	44.7
81.06592	5.8
81.07059	78.4
82.16341	4.3
83.08606	13.6
85.06571	4.9
85.10174	14.8
87.53787	4.2
89.77389	4.3
91.05463	24.9
93.04411	4.2
93.07051	56.7
95.04973	5.5
95.08610	51.6
97.10159	10.2
105.07024	16.1
107.08589	38.8
109.10142	30.3
114.25162	4.1
117.14993	4.6
119.08583	13.7
121.10193	22.0
123.11707	5.8
131.08551	15.7
133.10098	10.8
135.11691	15.2
145.10135	10.8
147.11674	13.7
149.13278	11.5
151.14763	5.5
159.11682	12.9
161.13147	5.7
163.14818	10.4
173.13275	5.8
181.39255	4.8
222.10858	4.8
233.22577	5.1
243.21182	25.3
261.22165	46.0
264.03842	5.0
313.23691	4.8
313.27335	100.0
317.24643	8.8
335.25803	60.9
349.75549	5.0
430.39798	4.8
573.48492	20.8
591.47925	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	591.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01861	6.6
55.05514	28.2
57.03426	6.9
57.07063	23.5
61.75406	5.6
63.46781	5.8
65.03930	5.8
67.05509	95.0
69.03413	23.3
69.07056	22.8
71.08620	17.3
71.56340	10.2
77.96141	5.4
79.05495	61.9
81.03398	23.8
81.07056	100.0
83.08607	16.5
85.02890	16.6
85.06502	5.2
85.10178	11.4
89.06047	28.4
89.42980	5.3
91.05484	59.8
93.07050	61.6
95.04963	16.4
95.08615	81.0
97.02885	9.9
103.03960	10.7
103.05467	23.3
105.07032	36.7
107.08608	47.2
109.06509	9.0
109.10149	41.2
111.04445	7.8
111.08029	5.5
117.06994	15.3
117.77099	5.6
119.04907	24.3
119.08583	29.3
121.06498	17.0
121.10153	24.8
122.06781	6.6
123.11688	24.1
128.06195	10.2
129.05424	5.9
129.07010	16.3
131.04903	33.6
131.08556	31.5
133.06465	10.7
133.08597	16.6
133.10121	21.6
135.08025	11.9
135.11653	24.8
137.05984	20.0
141.07048	10.8
143.08533	18.5
145.06490	14.8
145.10138	17.1
147.08115	9.0
147.11664	20.6
149.05968	7.9
149.13231	9.9
151.07562	67.2
153.06912	6.9
155.08553	10.2
157.06546	12.9
157.10112	11.9
159.08029	10.3
159.11710	23.8
161.06053	9.7
161.13248	18.5
163.07561	34.6
163.11209	6.2
165.09122	28.9
165.10342	5.6
169.10135	10.8
171.08063	12.2
171.11761	10.7
173.09464	6.7
173.13324	16.6
174.06746	7.6
175.07582	16.3
177.05380	6.8
177.09108	8.3
177.11201	6.9
177.12698	6.5
179.07036	26.7
181.08630	6.3
185.13205	10.8
187.07565	17.9
189.09157	34.4
190.44441	5.3
193.08615	20.2
195.06424	6.5
199.07484	7.2
201.09090	13.3
203.14355	6.2
205.08580	7.1
209.08105	49.1
213.09207	9.8
213.12752	8.2
215.10817	8.7
219.06577	7.1
219.10077	6.6
231.10150	15.1
233.07988	11.3
243.21078	7.0
247.09671	13.1
258.10233	6.5
259.09653	61.7
259.20737	7.6
261.22110	32.3
263.23895	9.3
275.09152	28.7
277.10663	34.1
277.21591	10.1
291.23175	11.0
303.23080	8.2
313.27374	24.4
321.14893	13.1
322.15155	16.7
335.25848	15.6
369.24371	16.2
379.18985	14.8
380.19373	15.1
387.25223	24.8
405.26321	13.9
423.27283	11.2
537.32098	13.7
555.33026	24.6
573.33929	13.6
591.25836	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	591.2604
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
57.86750	0.4
67.05496	1.7
70.36645	1.1
70.37044	0.8
71.08618	0.5
77.96786	0.4
79.05490	0.9
81.07075	1.3
84.32229	0.4
93.07047	1.0
95.08615	0.8
105.07075	0.9
109.10171	0.9
110.14348	0.4
113.09624	0.4
119.08591	0.9
121.10139	0.6
125.09625	0.4
133.10106	0.6
145.10103	0.7
159.11691	0.6
195.11833	0.5
197.13194	0.4
234.58846	0.5
237.95192	0.5
313.27527	0.6
401.17587	0.8
402.18631	0.4
413.17688	0.6
414.18597	1.1
415.19247	3.9
416.20004	1.7
427.36481	0.5
428.20078	0.9
429.20819	5.3
430.21542	3.4
431.22336	1.6
433.23853	0.6
443.22824	2.5
444.23605	5.2
445.24231	3.5
448.26343	0.7
457.19922	1.0
458.25159	1.0
459.21399	2.2
459.25900	2.5
460.22992	0.5
461.22919	0.5
472.22647	3.0
473.23502	5.3
474.24490	3.1
475.25626	0.9
476.22034	0.7
485.23373	1.8
486.24127	0.8
487.24979	21.0
488.25433	0.6
489.22940	1.6
490.23679	0.9
500.21533	0.6
503.24680	2.4
515.24585	0.9
517.22272	0.7
518.22919	0.9
531.24005	12.7
532.24640	5.2
563.26813	0.5
591.26062	100.0
592.26172	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	591.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.05514	4.8
57.03431	1.6
57.07079	2.7
66.91962	1.1
67.01891	5.6
67.05508	14.8
68.99779	2.7
69.03421	4.3
69.07087	6.2
71.04974	1.8
71.08625	1.3
71.57764	2.2
71.58128	1.4
79.05497	11.2
81.03423	8.0
81.07056	16.6
83.04975	2.0
85.02905	7.5
91.05470	9.3
93.07056	14.5
95.04981	3.5
95.08604	13.0
97.02907	3.9
97.10183	1.9
103.05486	1.7
105.07047	9.3
107.04974	9.2
107.08599	7.6
109.02857	3.3
109.06528	1.5
109.10178	6.0
115.05430	1.2
117.07027	3.5
119.08582	8.2
121.10162	5.6
122.37953	1.1
123.04427	3.6
123.08066	1.3
123.11726	3.2
127.03946	8.8
129.07040	3.3
131.08545	6.9
133.10144	6.0
135.08064	2.7
135.11700	3.8
139.03975	1.2
143.08647	1.5
145.10098	6.9
147.11722	3.5
149.09679	1.5
149.13261	3.1
151.03900	22.0
155.08481	1.7
157.10202	2.0
159.07965	1.2
159.11739	4.8
161.13284	3.1
163.03902	1.6
163.07544	10.8
163.14792	2.4
164.07997	4.2
169.04976	100.0
169.10080	2.1
171.11781	2.6
173.13261	4.2
175.03955	1.4
181.05002	1.6
185.13370	1.8
193.04973	4.1
195.55365	1.1
197.13426	1.5
201.16429	1.4
203.10721	2.5
207.06400	1.2
211.06076	3.8
227.14359	1.3
235.05971	1.7
243.21062	2.2
259.06082	2.4
261.22192	7.0
277.07147	2.2
297.92819	1.2
313.27499	7.5
335.25836	4.2
343.07098	1.1
369.24396	2.1
387.25296	3.1
468.53302	1.2
481.37570	1.4
573.49255	1.4
591.37598	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	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81088	2.2
55.01890	2.3
55.05516	24.3
57.03437	15.8
57.06820	4.0
57.07081	47.4
59.21248	2.5
67.05512	52.5
69.07074	18.0
70.83658	5.9
70.84032	5.0
71.04988	4.2
71.08645	39.0
79.05502	38.6
81.07063	54.7
83.08621	20.9
85.06534	3.6
85.10194	18.0
86.20554	2.7
89.06091	3.8
91.05489	55.2
93.07050	52.9
95.04963	4.4
95.08608	49.2
97.10162	9.1
105.07043	61.2
107.08609	28.8
109.10167	20.8
111.11749	4.4
117.07020	15.1
119.08589	52.9
121.10152	21.8
123.11727	8.8
127.93851	3.2
129.07019	9.9
131.08582	22.2
133.10143	43.6
135.11731	16.9
143.08591	9.0
145.10167	23.1
147.11705	49.7
148.69264	2.6
149.13301	10.8
157.10141	10.4
159.11731	16.2
161.13286	33.3
171.11711	12.8
172.32460	2.7
173.13261	14.9
175.14833	14.4
185.13301	14.0
187.15007	4.5
199.14890	3.8
217.98859	2.9
231.21075	8.9
239.23698	4.7
241.19502	41.2
257.24921	3.2
259.20599	87.7
277.21835	4.0
313.27383	100.0
315.23267	6.4
333.24234	55.6
431.31516	3.3
571.46973	10.3
589.49060	13.7
598.21112	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	591.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.5
68.99812	2.0
69.03438	5.0
70.25085	3.5
79.05499	1.7
81.03436	2.5
85.02921	11.8
88.26295	1.4
93.07037	1.6
97.02891	3.5
109.02834	1.5
111.04449	2.6
123.04459	3.3
135.04427	2.7
137.05876	1.9
139.03915	100.0
149.81975	1.6
151.03946	8.1
153.05501	1.9
153.07018	2.8
157.06526	2.3
162.25156	1.6
163.03918	15.9
165.05440	3.0
168.05930	1.5
171.08055	5.3
175.03967	1.7
177.05496	6.4
179.03433	2.0
181.04991	11.5
181.06407	2.9
183.04443	1.9
185.06120	1.9
187.03900	1.5
187.07599	1.8
192.10231	1.8
197.06038	2.0
199.07635	4.5
201.05479	6.7
203.07050	2.2
205.05064	9.0
215.07019	4.8
217.04924	3.3
217.08647	2.4
219.06522	2.7
227.07089	5.3
229.05026	3.4
231.06557	2.5
235.06145	1.7
239.07079	2.9
245.08183	4.4
247.06119	4.0
259.06210	2.1
273.07617	4.9
283.08194	3.5
285.07651	5.0
291.08630	40.9
295.09811	1.9
301.09216	5.0
308.35742	1.8
315.28607	1.7
393.09555	4.1
411.10803	6.5
417.09738	1.9
429.11844	48.9
453.11316	1.8
509.80884	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
53.03944	3.1
55.01862	1.7
55.05514	16.0
57.03439	13.4
57.07079	38.7
65.03931	2.8
67.05507	45.7
69.07069	18.4
70.06167	5.7
70.06540	2.4
71.04998	2.6
71.08636	27.7
72.71451	1.3
79.05495	36.9
81.07063	48.9
83.04990	2.2
83.08617	14.3
85.06545	3.7
85.10171	16.8
91.05481	52.4
93.07043	43.6
95.04957	4.7
95.08608	42.5
95.14496	1.7
97.06558	3.3
97.10172	7.6
99.08084	1.9
103.07584	1.8
105.07035	57.6
107.08597	25.5
109.06519	1.8
109.10158	18.8
111.11716	2.4
117.07029	12.6
119.08584	50.9
121.10140	17.7
123.11694	7.2
125.09557	1.4
128.06235	1.7
129.07005	9.8
131.08580	23.0
133.10130	38.9
135.11703	17.2
142.07802	3.2
143.08510	8.8
145.10152	16.7
147.11688	43.9
149.09576	1.3
149.13261	13.9
157.10150	10.5
159.11700	16.1
161.13266	39.0
163.11237	2.3
163.14812	3.3
165.12769	1.4
171.11688	10.7
173.13301	10.1
175.11191	1.4
175.14812	12.9
177.12749	2.4
179.14285	1.3
183.11804	1.6
185.13277	11.9
187.14848	5.1
189.12787	1.8
196.79907	1.4
199.14877	7.7
201.16414	2.0
201.41040	1.3
213.16278	3.0
215.17928	1.7
217.19626	2.5
223.43976	1.4
231.21094	10.2
239.23720	5.7
241.19514	42.9
243.21227	1.3
257.19269	1.5
257.24786	3.4
259.20584	94.2
277.21707	4.3
313.27362	100.0
314.27582	2.1
315.23145	6.4
333.24240	50.5
432.53830	1.4
497.43451	2.3
571.47119	8.6
589.48407	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	585.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96635	0.3
53.03954	0.4
70.32910	1.0
76.76981	0.3
79.05501	1.9
81.26118	0.4
82.20429	0.3
83.04959	0.3
89.03937	0.4
91.05484	4.2
92.51857	0.3
95.04969	1.3
97.69820	0.4
98.21441	0.5
105.03416	0.4
107.04964	6.4
109.06499	0.4
115.05489	0.8
117.03436	0.3
118.06557	0.9
119.04975	2.2
119.07339	0.8
123.04435	0.6
130.06520	0.6
132.08034	0.5
133.05099	0.4
134.06020	1.5
135.04425	6.9
135.06764	1.8
136.05219	0.5
137.05980	1.7
139.03874	0.5
143.04938	3.0
146.06003	1.7
148.07588	2.7
151.07556	9.3
152.04677	1.0
160.05211	0.4
160.07614	0.8
161.04698	0.8
161.05989	0.7
162.05583	0.5
163.06296	19.8
164.07028	1.1
167.07060	20.9
175.07503	2.1
176.07097	11.0
176.08237	0.2
177.07843	2.7
178.08649	100.0
179.08893	1.4
181.06500	0.5
188.07065	0.6
192.10310	2.4
195.08069	0.5
199.07639	0.5
210.76915	0.4
211.07545	2.3
213.09163	1.5
219.08092	0.6
223.07401	0.7
237.09198	1.0
238.08612	0.4
240.10158	0.6
251.07120	0.9
252.11441	1.5
253.08643	1.2
266.09399	0.7
268.10867	0.4
281.08078	0.5
298.10538	0.7
341.83447	0.4
384.39801	0.4
388.15399	2.2
389.16260	1.3
390.17020	6.4
392.18512	0.7
402.17093	2.6
417.18271	2.2
419.19629	2.5
468.80035	0.4
487.09604	0.4
532.44873	0.5
533.19391	0.7
550.22479	1.0
567.24957	12.6
568.23578	0.8
585.26001	40.1
586.26251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26641	4.3
52.11741	4.6
53.03936	7.0
55.05500	13.1
55.64566	3.6
57.07067	6.8
59.87953	4.5
60.02491	3.9
67.05506	29.3
67.90887	4.0
69.07072	20.9
69.86943	24.7
79.05499	31.3
81.07066	50.5
83.04987	4.5
83.08611	8.4
85.06509	4.6
89.06022	9.3
91.05479	44.3
92.55931	4.8
93.07049	65.4
94.07350	5.6
95.04952	17.6
95.08620	41.2
97.06523	8.2
105.07030	100.0
106.07343	9.0
107.08585	39.3
108.08920	5.8
109.06527	6.7
109.10144	27.1
110.94199	4.3
115.05492	6.1
117.07008	18.2
119.08595	93.5
120.08855	5.7
121.10151	60.2
123.08045	9.0
123.11713	12.2
125.09682	5.7
128.06221	10.3
129.06982	14.9
130.07822	10.9
131.08556	38.3
133.10146	63.8
134.10527	6.4
135.08119	6.8
135.11732	26.6
137.09636	11.4
139.11197	6.8
141.06973	10.5
142.07771	14.9
143.08597	33.6
144.09296	7.3
145.10130	79.5
145.40091	4.8
146.10492	8.8
147.08122	4.8
147.11702	42.2
155.08527	12.5
156.09384	9.2
157.10146	48.4
158.10802	8.2
159.08064	7.5
159.11707	41.5
160.12013	5.1
161.09686	5.4
161.13194	12.7
167.10707	18.9
169.10104	20.9
170.10741	8.2
171.11688	26.4
172.12186	6.4
173.13234	15.7
175.14816	14.8
179.08539	8.2
180.09395	5.9
181.10097	7.8
182.10863	7.0
183.11700	20.1
185.13274	13.3
187.14870	11.9
193.10081	5.1
194.10837	9.0
195.11668	17.9
196.12135	5.5
197.13255	21.2
199.14880	8.3
201.16452	10.5
207.11635	8.5
209.13347	15.6
209.53783	4.9
211.14836	17.8
213.12592	4.4
213.16246	6.2
221.13298	7.2
223.14725	8.6
225.16316	13.3
237.16252	7.8
247.14746	4.9
267.64777	4.8
364.27621	5.4
567.41736	6.2
585.42694	15.7
585.55896	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
53.06447	2.6
55.05506	15.0
56.31245	2.7
57.07073	8.6
57.79449	2.6
59.05028	2.6
67.05505	19.4
69.03433	5.6
69.07072	13.6
71.04984	3.2
71.08613	6.4
71.57010	4.3
79.05103	3.4
79.05505	24.2
81.07067	40.7
83.04963	4.0
83.08631	6.6
87.04462	4.3
89.06038	85.9
91.05484	43.5
92.06213	2.5
93.07058	56.0
95.04977	37.9
95.08605	31.5
97.06506	5.7
97.10163	2.6
102.09158	3.3
103.05466	6.9
104.06279	3.0
105.07038	100.0
106.07816	3.7
107.08599	50.4
109.06509	10.0
109.10150	30.6
115.05471	4.8
117.07030	26.2
119.08591	95.3
120.09370	5.6
121.06487	4.4
121.10137	39.9
123.08089	21.8
123.11716	7.4
125.09607	4.4
128.06209	11.7
129.07008	17.7
130.07800	9.3
131.08583	40.6
132.09358	7.9
133.06511	4.1
133.08617	49.6
133.10132	60.3
134.10915	10.3
135.08089	9.5
135.11691	21.5
137.09647	9.5
138.10391	8.6
141.06984	5.9
142.07782	16.4
143.08585	48.2
144.09369	12.2
145.06406	2.8
145.10135	75.1
147.08046	6.4
147.11726	32.3
149.09625	10.0
149.13242	6.0
151.11247	6.9
153.06995	3.8
154.07784	3.3
155.08527	15.1
156.09378	17.2
157.10153	52.2
158.10974	13.8
159.08063	6.4
159.11710	35.8
160.12340	3.9
161.09641	6.9
161.13307	12.9
165.07138	4.5
167.08571	6.5
168.09438	6.3
169.10147	35.8
170.10910	6.9
171.08107	2.8
171.11707	39.0
172.12469	5.9
172.95682	2.9
173.09605	4.0
173.13275	25.9
175.11276	6.7
175.14842	9.1
177.11293	20.0
177.12622	5.0
179.08536	7.1
180.09332	6.2
181.10144	16.2
182.10873	8.4
183.11723	28.2
184.12428	5.8
185.09657	3.7
185.13297	19.7
186.13911	5.0
187.11113	3.9
187.14868	13.7
189.12706	7.2
191.14282	4.2
193.10165	11.1
194.10930	8.0
195.11729	23.8
196.12456	9.1
197.09607	3.2
197.13284	24.3
198.13969	3.9
199.14865	17.1
201.12776	6.0
206.10912	5.4
207.11691	8.7
208.12656	5.0
209.13350	21.5
210.14130	3.2
211.11247	4.2
211.14809	21.1
213.12796	4.1
213.16437	7.4
215.14322	5.0
219.11768	3.5
221.13310	7.7
222.14116	4.1
223.14857	5.2
224.15709	4.3
225.16385	10.2
233.13283	3.3
235.14804	7.0
237.16396	8.5
239.17911	4.9
241.19426	3.4
246.13951	4.0
247.14896	4.0
249.16360	4.5
253.19612	5.0
255.17487	10.5
261.16525	3.2
263.17908	8.1
269.52081	2.8
277.19434	3.8
281.19046	4.1
300.28986	6.4
311.29361	8.3
321.22150	4.3
327.20212	5.1
337.25275	6.1
354.25613	14.1
371.22791	18.2
378.03323	3.0
409.28967	3.4
446.31769	7.8
473.93539	2.8
492.36087	7.5
580.83075	3.6
584.42194	25.9
584.56079	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	584.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01850	0.2
56.17614	0.2
57.03439	0.3
61.02935	0.2
65.03909	0.2
69.03427	0.8
70.04076	0.3
71.54935	0.3
71.55316	0.3
78.04709	0.9
79.05494	1.1
81.03416	0.5
81.07065	0.4
85.02914	2.1
90.74887	0.2
91.05482	1.0
93.07048	0.5
95.04983	0.4
95.08589	0.2
97.02901	0.7
99.04483	0.2
101.13646	0.2
103.05487	0.4
105.07033	1.1
106.04178	0.6
107.04962	1.6
109.02849	0.2
119.04990	0.4
121.06513	0.7
122.03654	0.3
123.04437	2.9
124.05223	1.3
127.03938	0.4
133.06468	1.0
135.08092	0.3
137.05971	0.6
141.01028	0.4
142.99019	0.2
145.06442	0.3
147.04391	0.3
149.05971	0.4
151.03903	0.6
151.07544	0.2
152.00182	0.3
152.04681	0.8
161.06021	0.9
163.07593	0.4
167.07053	100.0
168.07504	0.9
175.04030	0.2
179.06985	0.5
181.06503	0.2
181.08620	1.3
191.07094	0.2
193.08618	5.0
194.04868	0.2
195.10262	0.2
197.06175	0.2
203.02583	0.6
204.03442	0.2
205.08626	0.3
207.06496	0.6
211.09671	13.6
239.00380	0.3
239.09068	0.4
266.99771	10.0
268.35870	0.2
295.11731	0.3
319.11417	0.3
329.25342	0.2
333.95496	0.2
353.03430	0.6
364.02588	0.8
422.06720	7.8
423.06641	0.4
584.23724	0.3
585.24945	0.2
587.99414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
57.03429	1.6
59.57430	0.7
61.02932	1.1
69.03434	6.5
71.04971	0.6
71.55641	0.9
73.02908	0.9
81.03402	2.5
85.02918	9.1
85.92652	0.6
87.04467	1.3
91.05457	2.5
91.73151	0.6
97.02885	3.8
99.04447	1.0
103.05470	1.7
104.06268	0.7
105.03358	0.7
105.07018	1.4
107.04292	0.6
107.04941	3.2
109.02860	2.5
109.37011	0.7
110.77351	0.6
114.47414	0.5
115.05467	11.9
117.07007	1.3
119.04956	2.7
121.02839	1.2
121.06561	1.0
122.03699	0.7
123.04451	1.2
127.03885	1.7
129.06921	0.7
131.04933	4.5
137.05983	5.9
143.04933	29.3
144.05641	0.8
151.07541	4.5
160.05209	4.3
160.07639	0.8
161.06010	1.7
163.06310	12.3
163.07594	0.7
164.07118	0.9
167.07056	1.0
175.07571	22.3
178.08652	98.4
179.08673	2.4
181.06409	1.0
182.07269	1.5
183.08064	0.7
195.08049	1.1
197.06000	0.8
197.09686	1.2
207.08014	4.4
208.08839	1.5
210.06795	0.7
211.07521	0.8
213.05423	0.7
213.09113	0.9
219.08115	1.3
223.07605	1.7
224.08391	1.1
225.05542	1.8
225.09132	13.9
233.08029	1.1
235.07524	3.2
236.08414	3.8
237.09161	1.4
239.10655	3.1
240.07895	1.2
241.08609	0.8
243.10201	6.2
251.10738	1.1
252.07919	1.0
253.08525	5.7
257.11832	0.8
263.10715	0.9
265.08615	1.1
267.10217	2.8
268.10968	9.1
276.62387	1.0
327.13770	0.8
355.13336	1.0
368.29251	0.6
372.13889	1.1
373.14539	1.4
387.16061	2.8
404.19336	0.8
405.17126	8.4
422.19669	31.6
423.20264	0.9
566.24097	0.8
584.25031	100.0
585.25543	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03939	2.9
55.01873	1.6
55.05516	12.6
57.07090	7.4
59.04996	3.3
65.03931	3.8
67.05510	21.9
69.03418	6.4
69.07079	13.9
69.29111	12.0
70.41218	1.4
71.04992	1.3
71.64472	1.2
79.05500	20.0
81.07063	29.1
82.07396	1.3
83.04550	1.2
83.04974	6.6
83.08619	9.5
85.06548	5.7
91.04901	1.6
91.05483	41.6
93.07050	50.1
95.04964	9.4
95.08604	29.2
97.06552	5.4
103.05494	3.4
105.04548	2.2
105.07038	59.3
107.04929	1.5
107.08596	45.5
109.06504	6.5
109.10160	20.3
111.08098	2.8
115.05461	3.8
117.07018	11.4
119.08590	66.3
121.06538	3.7
121.10149	48.6
123.08082	16.2
123.11707	7.0
125.05972	1.4
125.09634	2.6
128.06232	9.2
129.06999	12.7
130.07816	6.4
130.23512	1.9
131.08575	30.1
133.06529	1.9
133.10141	35.7
133.11089	2.6
135.08069	7.4
135.11714	12.9
137.09595	7.4
139.11217	3.6
141.06987	7.1
142.07799	17.4
143.08563	32.4
144.09392	5.3
145.10127	48.3
147.08025	8.9
147.11708	16.0
149.09644	6.5
149.13330	2.5
151.07541	12.5
151.11238	2.3
153.07024	4.5
154.07811	3.1
155.08580	14.1
155.10651	1.8
156.09369	15.3
157.10146	46.5
158.10927	8.0
159.08083	4.7
159.11691	25.5
161.09631	5.9
161.13266	5.4
163.11203	6.8
163.14844	1.8
165.07031	7.1
165.09116	16.0
166.07875	2.5
167.08601	9.8
167.10684	32.9
168.09363	7.9
169.10141	23.1
170.10895	8.7
171.11697	27.2
173.09637	4.6
173.13280	20.8
175.11186	3.5
175.14864	8.7
177.09210	2.1
177.12709	1.4
178.07806	1.9
179.08594	14.3
180.09393	5.0
181.10112	14.3
181.12273	5.6
182.10898	7.7
183.11716	24.9
184.08922	1.7
184.12486	6.1
185.13266	16.6
187.11165	3.4
187.14845	6.4
189.12772	7.4
191.08537	2.0
191.14362	8.1
192.09390	4.8
193.10187	12.5
194.10902	8.4
195.11687	20.5
196.12482	5.6
197.09534	2.1
197.13237	20.3
199.11130	2.6
199.14839	11.2
201.12799	3.2
201.16438	4.7
203.08499	1.8
203.14334	7.1
204.09354	2.1
205.10283	1.8
205.15854	2.2
206.10944	7.2
207.11745	16.5
207.13846	7.0
208.12444	7.5
209.13278	23.9
209.15181	1.1
210.13960	4.4
211.11128	1.7
211.14799	11.7
213.12860	2.0
213.16431	4.9
215.14247	2.8
217.10193	3.8
217.15968	6.0
218.10905	2.1
219.11736	6.3
220.12515	5.2
221.13286	16.1
221.15442	25.6
222.13979	2.0
223.14784	15.5
224.15520	2.1
225.12814	2.1
225.16429	4.9
227.14357	2.8
229.15874	2.6
230.10982	2.3
231.11691	5.9
231.17473	2.8
232.12538	2.8
233.13272	11.6
233.15468	10.3
234.14093	4.2
235.14813	11.0
235.16838	2.1
236.15578	1.9
237.16411	5.9
239.14389	1.9
239.17950	4.0
243.17522	2.3
244.12489	3.2
245.13321	6.3
246.14137	5.0
247.14851	7.9
247.17027	2.3
248.15559	2.9
249.16426	7.3
251.17992	5.5
253.19501	2.1
255.17616	2.3
257.13306	2.7
257.19067	4.5
258.13980	2.3
259.14862	5.0
260.15671	3.8
261.16370	6.8
263.18079	5.6
265.19595	5.6
269.19040	6.2
271.20654	2.4
272.15622	2.4
273.16342	4.7
274.17123	1.5
275.17819	8.3
276.18689	1.6
277.16144	1.9
277.19556	4.5
279.17374	1.9
279.20953	2.4
281.18936	2.0
283.20587	9.3
285.18805	2.0
289.19620	5.0
291.21173	1.8
293.19131	2.0
295.20605	4.0
297.22198	2.3
299.20520	2.6
301.19446	3.2
307.20663	1.9
309.22058	1.8
317.22617	2.9
331.24341	4.1
335.23773	2.3
343.24304	2.8
347.23837	2.2
349.25385	5.0
355.24594	1.8
361.25311	3.0
365.25015	2.4
373.25601	2.0
375.26886	3.7
403.30090	4.6
491.35147	3.3
503.35464	1.9
547.39514	3.0
565.40222	17.8
583.41492	100.0
584.41675	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.5
53.03949	5.1
55.05510	22.6
57.07079	11.6
59.04988	4.9
59.27941	1.6
65.03938	4.8
67.05507	30.0
69.03438	10.5
69.07066	18.1
69.29205	17.6
70.18443	1.7
77.03913	2.7
79.05497	34.1
81.07061	42.5
83.04978	7.6
83.08627	12.6
85.06529	7.5
91.05483	60.7
93.06467	3.7
93.07050	65.6
95.04974	13.7
95.08606	40.8
95.09167	3.4
97.06551	6.2
103.05473	7.6
105.07037	86.8
107.04957	3.0
107.08596	56.0
109.06516	13.8
109.10149	25.4
111.08079	3.1
115.05458	8.1
117.07017	19.2
119.08585	100.0
121.06532	6.8
121.09306	4.1
121.10148	61.0
122.07236	2.2
123.08080	22.0
123.11723	10.5
125.06003	3.1
125.09651	4.5
128.06216	14.7
129.07030	21.1
130.07777	7.4
131.08566	40.2
133.06487	2.4
133.10138	42.7
135.08064	14.4
135.11725	15.1
137.06007	1.9
137.09636	12.0
137.13258	2.5
139.11104	1.9
141.06969	12.3
142.07802	28.8
142.26688	2.0
143.08572	62.9
144.09343	6.1
145.06537	2.7
145.10130	61.4
146.10988	1.8
147.08046	17.0
147.11705	19.8
149.09622	8.3
149.13226	5.7
151.07544	16.9
152.06172	2.0
153.07027	8.3
154.07857	4.6
155.08571	20.9
156.09341	25.5
157.10127	72.5
158.10901	8.8
159.08110	4.4
159.11703	31.0
161.09641	7.4
161.13292	12.1
163.11200	9.9
165.07060	9.3
165.09097	37.2
166.07837	5.0
167.08604	12.4
167.10675	12.6
168.09337	10.9
169.10138	37.9
170.10931	9.5
171.11693	35.3
172.12476	2.0
173.09647	4.5
173.13258	24.6
174.10292	2.5
175.11166	5.7
175.14818	9.9
178.07838	2.2
179.08585	21.1
180.09373	9.8
181.10155	19.6
181.12236	8.5
182.10876	10.4
183.11700	35.6
184.12463	7.5
185.09683	2.2
185.13264	20.7
187.11275	4.6
187.14870	8.0
189.12772	6.7
191.10594	2.2
191.14336	9.1
192.09384	7.7
193.10170	18.9
194.10919	13.0
195.11717	31.8
195.13420	2.8
196.12506	9.3
197.13278	23.0
199.11177	2.6
199.14879	19.3
201.12758	3.6
201.16411	5.4
203.08557	3.9
203.14287	17.0
205.10191	8.3
206.10938	11.1
207.11751	21.4
207.13860	5.8
208.12502	8.6
209.13298	32.8
210.13977	4.4
211.11057	2.1
211.14804	15.5
213.12822	2.8
213.16438	5.6
215.14308	2.8
217.10181	5.6
217.15898	12.3
218.10989	5.5
219.11748	12.4
220.12534	8.7
221.13284	17.3
221.15427	62.1
222.14055	6.0
223.11346	3.5
223.14796	18.7
224.15529	3.7
225.12735	2.0
225.16389	6.0
227.14230	2.4
229.15831	2.7
230.10960	3.4
231.11719	7.4
231.13811	2.6
231.17513	2.6
232.12570	6.3
233.13280	10.7
233.15456	6.8
234.14041	5.6
235.14780	13.6
237.16380	11.4
239.18036	5.3
241.15933	2.5
243.11708	3.1
244.12546	5.3
245.13275	9.6
246.14113	7.8
247.14772	13.5
248.15723	3.7
249.16428	11.7
250.17169	2.2
251.18005	7.0
253.19629	2.8
255.17500	3.4
257.13330	3.7
257.19043	6.8
258.14206	2.8
259.14847	5.7
260.15649	6.0
261.16464	11.5
263.17999	7.0
265.15930	2.4
265.19565	8.3
269.13406	2.6
269.19022	5.2
271.14944	2.7
272.15549	2.4
273.16510	6.4
275.17880	15.8
277.19547	5.5
279.20956	2.7
281.18936	2.9
283.20587	16.0
285.16226	4.3
286.16949	2.2
287.17572	2.9
287.20322	2.8
288.18729	2.4
289.19565	5.0
291.21091	2.8
293.19150	2.3
295.20642	6.5
297.22189	5.3
299.20352	3.1
300.21024	2.8
301.19397	3.7
303.20999	2.9
305.19141	1.9
307.20599	3.0
315.21259	2.4
317.22665	3.6
325.21823	2.2
329.22601	2.9
331.24399	6.0
343.24536	2.1
349.25281	6.5
357.25693	4.7
361.25143	2.3
363.44037	2.2
365.25024	3.2
375.26874	9.9
403.30020	7.6
491.35092	5.7
503.35440	5.2
509.34357	3.1
565.40588	23.9
583.41486	94.9
584.41614	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.0
55.01868	3.7
55.05519	25.3
56.24055	3.1
57.07077	12.8
59.05001	6.0
59.06105	3.6
59.29947	2.4
60.10379	2.3
61.20293	2.5
62.52947	2.5
63.41471	2.4
65.03937	5.2
67.05509	37.0
69.03440	8.2
69.07075	27.8
69.90611	7.4
69.91018	5.3
71.05021	2.7
79.05499	34.0
81.07062	49.5
83.04988	10.0
83.08636	12.7
85.06558	7.0
88.58561	2.6
89.28545	2.4
90.12416	2.5
91.05492	48.5
93.07055	71.9
93.07630	4.6
95.04987	18.7
95.08619	47.5
95.09171	4.4
97.06557	10.2
97.10178	5.6
98.21516	3.6
103.05448	4.0
105.07036	84.7
107.08601	63.7
109.05882	2.8
109.06549	11.4
109.10163	31.4
111.08129	5.8
115.05457	7.5
116.06244	3.1
117.07028	27.0
119.08588	88.4
119.65979	2.8
121.06545	6.5
121.10155	65.3
123.08070	16.4
123.11742	10.8
125.09685	4.1
128.06219	12.9
129.07031	14.9
130.07779	5.9
131.08569	41.8
133.06567	5.6
133.07686	2.9
133.10143	47.6
133.11072	3.9
135.08102	9.8
135.11711	20.7
137.09624	12.2
139.11180	5.4
141.06973	12.6
142.07796	27.4
142.08788	2.9
143.08568	42.4
143.62994	2.3
144.09348	5.8
145.10127	61.5
147.08119	8.8
147.11682	21.0
149.09595	12.3
149.13289	5.9
151.07620	11.3
151.11220	3.3
153.07057	8.1
154.07809	3.2
155.08514	17.8
155.10645	4.6
156.09357	22.7
157.10139	58.3
158.10960	10.6
159.08104	6.0
159.11705	34.4
161.09653	5.2
161.13281	14.2
163.11185	4.2
165.07077	3.8
165.09082	13.2
167.08601	8.9
167.10701	42.9
168.09390	10.1
169.10141	32.6
170.10928	11.7
171.11687	33.6
172.12456	3.0
173.09654	3.7
173.13275	29.3
175.11206	6.4
175.14915	11.6
178.07881	2.5
179.08548	16.3
180.09361	5.9
181.10216	21.2
181.12282	6.1
182.10948	10.6
183.11723	30.0
184.12393	5.0
185.09680	5.4
185.13290	16.7
187.11241	3.0
187.14909	8.8
189.12852	8.0
191.14362	7.0
192.09450	3.7
193.10146	17.0
194.11023	10.6
195.11725	27.3
196.12563	7.4
197.13254	28.4
198.14101	3.3
199.14815	28.2
201.12836	4.0
201.16466	8.2
203.14368	8.9
205.10246	6.5
205.15895	3.3
206.10934	9.2
207.10016	4.1
207.11792	18.4
207.13724	4.9
208.12527	11.0
209.09895	3.2
209.13301	22.0
209.15092	3.2
210.14070	4.9
211.14926	11.9
213.16406	5.9
215.14383	8.5
217.10112	4.1
217.15933	17.9
218.10983	3.6
219.11748	6.0
219.17488	3.8
220.12367	5.9
221.13338	17.1
221.15469	28.7
222.14040	3.0
223.14760	14.9
224.15614	3.4
225.16531	7.5
227.14360	4.0
231.11769	5.3
232.12589	3.1
233.13303	9.9
233.15491	15.4
234.14027	5.2
235.14838	12.7
236.15694	3.7
237.16479	8.7
239.18117	4.3
243.11845	5.5
244.12549	3.3
245.13391	9.7
246.14224	3.8
247.14894	9.9
247.24196	4.6
249.16565	7.5
251.18111	5.4
253.19630	2.9
257.19168	6.3
259.15039	6.6
261.16489	10.7
263.18137	8.1
265.19647	8.1
265.25427	4.1
269.19119	5.5
271.14716	3.4
273.16379	4.8
274.17087	2.8
275.17996	8.9
277.19452	4.4
283.20551	13.2
289.19577	2.9
293.19254	3.4
295.20596	4.3
297.22458	3.8
299.20236	4.9
317.22665	3.7
331.24326	5.5
339.29254	4.2
349.25400	7.9
361.25461	3.8
375.27008	4.3
403.30176	3.5
423.21594	2.9
491.35587	8.8
509.34589	3.2
547.39325	3.0
565.40540	19.8
583.34058	4.5
583.41620	100.0
584.42151	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03950	3.6
55.01874	1.9
55.05511	14.9
55.97557	0.9
56.11190	0.8
57.07074	10.7
59.05001	4.0
65.03934	2.7
67.05165	1.6
67.05508	22.7
69.03426	7.8
69.07073	16.3
71.04995	1.4
71.58305	0.9
79.05492	26.1
81.03412	1.4
81.07061	34.7
83.04561	1.0
83.04975	7.0
83.08615	9.3
85.06542	6.3
85.35716	0.9
91.05484	47.1
93.07048	52.1
94.07391	1.0
95.04978	12.2
95.08611	35.4
97.02853	1.2
97.06530	5.5
97.10152	1.3
99.08135	1.3
103.05465	2.9
105.04542	2.3
105.07033	71.9
107.07860	2.3
107.08595	47.4
109.06511	9.0
109.10156	19.7
111.08086	3.5
113.05952	1.2
115.05480	4.6
116.06253	2.1
117.07018	16.1
119.08585	80.9
121.06522	5.6
121.10149	46.1
123.08060	20.6
123.11742	7.1
125.05995	3.5
125.09618	2.3
128.06230	14.3
129.07011	18.1
130.07802	6.8
131.08574	32.5
133.06491	3.2
133.10129	40.8
135.08052	11.5
135.11690	12.7
137.06006	2.2
137.09622	12.2
139.11214	2.1
141.06999	9.4
142.07782	23.1
143.08565	36.0
144.08095	3.5
144.09334	7.6
145.06505	2.2
145.10130	48.9
147.08052	18.7
147.11685	15.1
149.09639	5.5
149.13281	3.2
151.07555	19.3
151.11212	1.9
153.06923	4.5
154.07820	3.3
155.08560	18.6
155.10629	1.0
156.09340	17.8
157.10138	56.2
158.09651	4.7
158.10910	9.0
159.08092	4.0
159.11693	26.0
161.09637	4.9
161.13275	8.1
163.11192	7.4
163.14957	1.4
165.07079	7.4
165.09122	41.4
166.07771	3.9
167.08582	10.0
167.10693	10.0
168.08104	1.7
168.09340	7.2
169.10132	27.7
170.10913	10.4
171.08061	1.5
171.11703	31.3
172.12456	2.2
173.09639	4.4
173.13278	23.3
175.11201	3.4
175.14822	8.7
177.09174	1.6
178.07841	1.5
179.08575	15.9
179.10251	1.1
179.10789	1.0
180.09322	6.4
181.10156	17.9
181.12244	5.5
182.10895	9.9
183.11703	26.5
184.12448	5.9
185.09645	2.7
185.13257	19.3
186.09175	2.9
186.14043	1.3
187.11241	3.6
187.14799	7.0
189.12683	6.8
189.16397	1.6
191.08629	2.2
191.10632	1.5
191.14352	6.4
192.09351	4.7
193.10141	14.6
193.12024	1.5
194.10889	9.4
195.11699	22.1
195.13412	1.7
196.12489	5.7
197.09608	1.4
197.13272	21.8
197.15025	1.6
198.13972	1.4
199.11208	3.3
199.14832	14.4
201.12787	1.9
201.16455	3.4
203.08618	2.4
203.14336	17.8
204.10229	2.8
205.10031	4.8
205.15918	1.8
206.10927	8.4
207.11739	18.3
207.13863	7.5
208.12511	8.2
209.13272	28.7
209.15245	1.8
210.14052	4.1
211.11104	1.5
211.14822	11.2
212.15587	1.4
213.12814	2.2
213.16431	4.3
215.14301	2.6
216.09418	1.1
217.10205	2.6
217.15834	8.3
218.10966	4.0
219.11740	7.9
219.17474	1.2
220.12392	5.7
221.13274	14.3
221.15329	68.1
222.14075	3.6
223.11240	1.4
223.14799	13.7
224.15555	2.6
225.12793	2.3
225.16360	6.3
227.14352	2.8
227.18044	1.3
229.10133	1.6
229.15855	1.8
230.10934	2.4
231.11748	5.9
231.13847	2.0
231.17465	2.7
232.12492	5.0
233.13275	10.3
233.15453	4.9
234.14178	4.8
235.14838	11.7
235.16951	1.4
236.15555	2.5
237.12640	1.6
237.16388	7.3
239.14352	1.9
239.17986	5.1
243.11787	2.9
243.17549	1.5
244.12592	2.6
245.13309	6.6
245.18947	1.3
246.14120	4.4
247.14856	9.6
247.16988	1.9
248.15663	3.4
249.16389	11.5
250.17256	1.8
251.14336	1.3
251.18053	4.5
253.15813	1.2
253.19662	2.1
255.17413	1.8
256.12445	1.1
257.13358	3.2
257.18985	4.8
258.14154	2.5
259.14792	5.5
260.15689	4.0
261.16434	6.9
262.17114	1.8
263.17944	7.0
265.16086	1.2
265.19409	5.0
269.13309	1.4
269.19046	3.6
271.14761	3.6
271.17404	1.4
271.20660	3.1
273.16251	6.8
274.17001	1.4
275.17923	9.1
277.19559	4.7
279.21103	1.9
281.19113	2.5
283.20566	14.2
285.16202	1.8
286.16797	1.3
286.19501	1.5
287.17703	2.8
287.20444	2.3
288.18539	1.3
289.19373	4.6
290.20163	1.1
291.21097	2.7
293.18933	2.8
295.20511	4.4
297.16458	1.6
297.22165	5.5
299.17462	1.5
299.20392	2.1
301.19522	3.4
303.17871	1.3
303.21249	2.4
305.22879	1.2
307.20755	1.3
309.22290	2.2
313.19284	1.7
315.21097	2.7
316.21796	1.4
317.22711	2.9
319.20847	1.2
321.21848	1.1
329.22598	2.2
331.24335	4.3
333.22107	2.2
335.23618	1.3
343.24387	1.5
345.22083	1.0
348.24408	1.2
349.25314	5.6
352.23914	2.7
357.25793	2.5
359.23920	1.2
361.25241	2.2
365.24677	2.6
375.27051	5.6
385.28839	1.8
401.28488	1.2
403.29971	9.1
437.30786	1.6
491.35269	4.8
503.35269	6.0
509.34399	2.1
547.39423	3.7
565.40411	24.5
568.47839	1.2
583.41479	100.0
584.41852	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	582.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02439	1.2
57.46703	1.1
66.45376	1.0
67.05506	1.7
68.69501	1.1
69.03396	1.1
70.18039	2.6
70.18433	2.4
73.29919	1.2
74.17557	0.9
79.05521	1.5
81.03413	2.4
81.07061	1.9
90.28605	1.1
91.05511	1.7
92.99389	1.0
95.04963	1.4
96.37180	1.0
100.66940	1.0
103.31624	1.1
105.07057	1.7
107.08569	1.8
119.04992	1.3
123.04457	1.0
137.05991	2.2
140.86504	1.3
145.06558	1.1
147.04424	1.5
151.07585	1.1
156.92659	1.0
167.07072	3.3
177.07033	3.2
178.08617	1.9
179.08786	1.5
189.06973	1.4
205.06493	16.6
207.06406	1.3
207.08104	1.9
231.06496	1.9
233.06007	12.2
235.07559	29.5
244.13463	1.8
245.05855	1.3
263.07056	59.7
264.07770	1.2
293.08087	100.0
310.10742	33.8
310.14371	1.5
347.21716	1.3
374.19818	1.2
415.51431	1.1
582.22571	1.9
582.31580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.8
68.75742	0.7
70.58859	2.0
85.02919	1.7
89.77467	0.7
91.05466	2.3
93.07021	0.9
115.05467	1.9
116.04983	2.9
118.06527	3.1
131.04956	1.2
134.06041	1.0
135.06778	1.3
137.05904	0.8
138.97813	0.7
143.04935	1.9
144.04446	2.7
146.06036	3.6
147.06697	0.7
149.05957	2.0
151.07530	1.9
156.04425	2.0
161.04735	1.8
161.05991	0.9
162.05420	0.9
162.12276	0.7
163.06300	15.5
164.07013	0.9
167.07069	2.2
175.07538	1.8
176.07069	12.1
178.08649	100.0
179.08855	1.5
188.07065	3.6
192.10220	0.7
199.07556	0.9
210.09207	2.3
222.09145	10.0
235.09923	1.0
236.10710	0.7
237.07864	1.7
238.08655	18.0
247.27159	0.7
250.08656	29.9
251.07054	1.1
251.09286	1.6
252.10292	1.8
253.07767	0.8
253.11023	3.0
263.09235	0.8
264.10257	1.2
265.07437	6.6
265.11023	27.2
266.08136	26.9
266.11584	2.3
267.08716	1.1
267.12625	1.2
268.09796	1.4
280.09695	20.9
281.10474	23.1
282.11292	1.8
292.37375	0.7
295.08569	0.8
296.09164	5.3
307.11755	0.9
325.64590	0.8
330.11575	1.0
358.14575	1.0
372.12305	1.5
373.13031	1.4
386.13992	1.0
387.14655	5.7
388.15442	11.3
389.16220	5.7
406.16638	1.7
419.13806	0.9
421.15503	1.9
520.16864	1.0
522.19171	2.2
524.20441	1.4
533.18945	1.2
534.18982	1.3
536.20459	2.6
548.20715	6.6
554.21765	1.0
565.23328	23.7
565.32306	1.2
566.23456	1.5
583.24420	94.2
584.24634	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	582.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85046	0.3
53.03951	2.9
55.90946	0.3
57.11929	0.3
59.94206	0.3
64.33935	0.3
65.03934	1.1
67.05504	0.4
67.83051	0.3
70.58363	0.3
71.15685	0.9
78.04713	2.1
79.05492	2.6
80.28518	0.4
81.03420	68.6
81.07070	0.8
85.02918	0.8
91.05486	10.2
93.07024	0.6
95.04967	2.8
96.05816	0.4
103.05473	2.7
105.03416	0.5
105.04527	0.4
105.07034	2.7
106.04185	1.4
107.04968	5.1
107.08640	0.5
109.02912	0.4
109.06535	0.7
110.03706	0.4
111.04465	0.5
115.05452	6.3
117.07028	8.7
118.04169	0.9
119.04949	7.1
119.08594	0.5
121.06490	0.6
122.03608	0.5
123.04427	6.5
124.05234	2.4
125.05983	0.8
127.05453	0.4
128.06218	0.9
130.04126	0.8
131.04904	2.1
132.05737	0.8
133.06488	2.1
136.05200	1.0
137.05983	2.6
143.04916	0.8
144.05734	0.6
145.06493	13.3
145.07646	0.6
147.04404	1.1
147.08022	0.7
148.05148	0.5
149.05975	1.1
151.03943	1.4
151.07547	15.6
152.04698	1.7
153.05472	0.6
155.04962	0.4
155.06004	2.2
156.05704	3.7
157.06519	0.5
160.05202	0.7
161.05994	2.6
163.07506	0.4
165.05341	0.3
167.07045	100.0
168.07385	1.2
168.10223	0.6
171.04463	0.4
172.05130	1.0
173.05995	13.3
174.06641	0.6
175.03937	0.5
175.07536	1.6
176.04697	1.4
178.08643	0.9
181.05006	3.2
184.05196	1.7
190.06262	8.7
191.07025	5.4
191.08580	0.6
193.08594	1.6
194.08153	10.7
198.03288	0.4
201.05482	1.4
202.06238	2.3
203.06999	0.8
205.06726	0.4
205.08588	9.5
207.08180	0.6
207.10130	0.7
217.08624	14.2
219.08141	0.6
231.06512	4.4
231.10158	0.5
233.08012	1.8
235.09660	32.6
236.08200	0.4
247.07605	0.6
261.07501	0.6
263.06912	0.7
264.07852	1.3
265.08719	0.4
271.09650	0.4
274.10690	2.0
277.08545	0.4
279.10153	1.3
293.08157	0.5
295.09991	0.4
307.09705	2.6
311.12823	0.7
319.11865	1.7
325.10754	0.6
331.11792	0.8
332.14871	0.4
337.10568	0.7
339.12338	0.9
358.12704	0.8
369.13397	1.3
371.14972	4.2
385.12970	0.4
397.12839	0.7
398.15970	0.8
400.17377	1.2
410.16061	0.4
415.13882	0.6
428.17096	3.1
564.22119	0.5
582.23303	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04337	5.0
53.03949	5.4
55.05516	25.5
57.03439	13.2
67.05511	78.6
69.07063	30.6
71.58239	6.6
79.05499	52.2
81.03424	6.2
81.07060	100.0
83.08612	21.0
87.11816	4.8
91.05475	42.4
93.07053	60.9
95.04980	17.1
95.08611	79.3
97.06519	11.6
97.10166	4.9
99.41303	4.9
105.07018	33.1
107.08578	33.4
109.06555	7.2
109.10160	21.8
117.07013	11.1
119.08594	22.9
121.10163	24.7
123.08074	5.1
123.11719	11.2
131.08571	13.8
133.10120	17.5
135.11668	34.1
145.10141	29.3
147.11693	12.0
151.11143	5.3
157.10159	9.6
159.11696	10.6
163.11205	31.1
181.12343	5.6
203.82286	4.5
227.12830	50.4
283.15411	38.5
285.16974	47.6
335.25867	50.4
337.27408	85.0
390.64035	4.7
425.51978	5.3
503.37119	8.3
545.38269	76.7
580.40393	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	582.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
57.36861	0.3
65.03926	0.7
77.03946	0.4
78.04691	0.4
79.05067	0.4
79.05502	5.6
81.03403	0.4
81.07035	0.9
85.02906	0.5
91.05486	8.9
93.07075	0.4
94.04189	0.6
95.04987	2.0
103.05453	0.7
105.04491	0.4
105.07040	0.7
107.04961	11.2
109.06489	0.4
115.05459	4.8
115.95641	0.3
117.07023	2.2
118.04163	0.5
119.04954	6.2
119.08563	0.9
121.06535	0.6
122.03647	0.6
123.04428	1.4
124.05221	2.0
125.05989	0.7
128.06252	0.6
129.07004	0.6
131.04941	0.8
132.05725	4.1
136.05177	0.9
137.05989	4.7
139.07635	0.4
140.04701	0.4
143.04919	1.7
143.08644	0.3
144.05670	1.4
145.06488	2.4
147.04427	0.8
147.08032	0.7
149.06039	0.6
151.03952	0.5
151.07555	16.9
152.04680	0.9
155.05959	0.6
156.05701	0.6
157.06450	0.4
160.05214	7.1
161.06029	0.6
163.03897	0.4
165.05478	0.7
167.07060	30.4
168.07344	0.4
168.10193	3.4
170.03604	1.2
171.04395	2.0
172.05226	1.0
173.06058	1.8
174.03148	0.9
175.03905	0.9
175.07542	2.0
176.04665	0.6
179.07031	0.5
181.04915	0.9
184.05251	0.5
188.04742	3.4
190.06184	1.6
191.07060	0.7
192.04192	2.1
194.08162	1.4
198.03139	2.9
200.04736	1.1
202.06183	0.7
203.07011	1.6
205.06741	0.5
205.08597	1.3
206.07326	0.4
207.06465	1.8
216.04187	3.7
217.08554	1.6
220.03656	1.8
221.08035	0.8
228.04201	0.5
231.06534	100.0
232.06828	1.3
234.06778	0.4
235.09634	0.4
246.05147	0.5
247.07483	0.4
248.08400	0.6
249.09048	0.5
250.06322	0.4
252.12325	0.8
261.07565	3.4
263.06979	0.4
264.07819	0.6
265.08636	0.4
276.07800	0.7
277.08588	0.8
293.08310	0.6
294.08926	0.4
304.07553	0.4
309.11078	0.4
317.59985	0.3
322.08322	0.4
323.09286	0.5
331.11981	0.6
337.10901	0.8
339.08463	0.5
343.11755	1.0
365.10330	0.8
369.13345	1.7
382.10547	0.4
387.14334	1.4
397.12860	4.2
398.16046	12.3
410.15991	1.1
411.84436	0.4
415.13937	8.6
564.22211	1.3
582.23486	4.4
583.22205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
60.88655	1.9
65.03933	5.6
66.04715	5.3
67.05468	2.7
67.32413	2.0
68.68619	2.2
69.84893	5.6
69.85310	4.9
70.45498	1.7
75.04448	2.1
77.03937	3.3
78.04713	7.2
78.93245	1.8
79.05487	12.2
81.07053	7.9
82.22063	1.8
85.02900	3.0
91.05483	19.3
93.07031	3.1
94.04196	7.1
95.04961	4.8
103.80180	1.9
105.03400	10.6
105.07036	5.0
107.04977	5.9
108.05753	5.3
109.06526	33.1
111.04436	4.3
115.05449	8.4
117.07030	4.2
119.04961	6.1
119.08484	2.4
121.06526	8.2
122.03622	2.6
123.04473	3.4
123.96598	2.1
127.03923	4.2
128.06250	5.5
129.06973	5.1
131.04918	3.3
132.05731	3.1
133.02872	21.1
135.04448	5.7
135.08060	2.6
137.05989	94.9
138.03156	2.9
138.06769	23.6
139.03940	3.0
139.07555	7.7
141.45079	1.9
143.04968	2.3
144.05647	2.1
145.06532	10.0
147.04451	6.3
147.11729	3.0
149.06013	2.6
151.07564	26.1
153.05476	38.7
156.05692	23.4
157.06491	39.8
157.08563	2.0
160.05246	6.9
163.07542	8.5
165.05495	50.4
165.06895	3.7
167.07063	5.1
167.11964	2.0
171.04391	11.0
172.05202	6.0
173.05975	16.5
175.07579	2.3
184.05260	9.4
185.06017	11.4
188.04761	3.5
189.05437	2.2
190.06267	2.6
192.04308	2.6
200.04688	14.3
201.05444	13.0
202.06276	15.9
203.17921	2.2
205.06590	2.5
207.06543	3.7
211.07585	5.2
217.05209	4.5
217.08598	56.1
219.08051	4.2
220.03630	2.0
228.04222	11.1
229.04967	26.0
231.06516	40.1
235.07501	3.0
237.08948	2.5
238.06108	2.4
240.07750	2.2
245.04453	3.5
246.05051	11.3
247.07745	2.2
248.08444	5.7
249.09117	3.0
250.10017	2.6
251.07011	2.6
253.08698	13.6
255.10185	2.9
256.07401	5.7
260.06772	3.6
261.07584	88.9
263.07059	6.5
263.10687	4.6
264.07916	3.2
267.06613	4.0
267.10153	3.6
271.09778	4.7
275.07077	3.4
276.07834	5.9
277.08640	6.6
278.09384	8.1
279.06540	3.2
279.10196	3.5
281.08176	3.6
284.10416	2.9
285.07727	4.8
291.06796	3.8
291.10278	7.8
292.07388	4.5
292.10913	2.4
293.08112	7.6
293.11661	4.6
294.08740	4.3
295.09976	2.7
299.09171	39.5
300.09900	2.4
303.12299	46.2
304.07480	4.1
305.08359	3.7
305.11563	4.9
306.08902	6.8
307.09659	6.8
309.11417	3.4
312.09937	3.0
313.10800	6.1
314.11490	81.7
315.12292	11.3
319.06253	4.9
319.09775	10.2
320.07028	3.3
320.14874	2.4
321.07663	4.9
321.11301	12.6
322.08429	5.5
323.09283	4.6
323.12732	3.4
325.10699	2.4
327.12268	29.4
329.10248	4.9
333.07538	2.5
334.08545	2.8
335.09210	8.6
336.10013	2.8
337.10693	9.9
338.11383	3.1
339.12308	4.9
347.09360	2.1
349.10718	5.2
350.07739	2.4
351.08704	2.9
351.12500	3.9
353.10147	5.9
353.13898	4.7
354.14761	2.4
365.10214	15.3
367.11792	6.7
379.11978	8.6
381.09875	7.3
397.12888	6.9
398.13571	6.7
399.14462	43.0
411.14380	43.5
447.14386	3.4
479.17166	17.8
484.32117	2.4
496.19681	18.4
531.16699	4.8
545.18713	2.6
563.19214	59.6
580.21753	100.0
581.22656	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	579.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01869	6.1
55.05519	12.2
55.53988	1.3
57.03436	5.1
57.07076	5.1
58.57561	1.3
59.05000	2.1
62.53555	1.4
65.03929	2.3
67.05508	81.9
69.03419	3.2
69.07069	13.4
71.04995	1.7
71.08615	2.0
71.53335	1.4
71.54895	1.6
71.55280	1.3
73.02915	4.6
79.05496	45.6
81.03429	7.1
81.07059	80.7
83.04964	2.6
83.08636	7.9
85.02905	4.2
85.06540	2.8
91.05473	25.1
93.07049	54.9
93.90640	1.4
95.04987	5.5
95.08611	66.7
97.02914	1.7
97.06562	3.2
97.10181	4.9
99.04479	3.8
105.07032	19.7
107.04941	1.6
107.08598	38.0
107.09296	2.9
109.02875	10.2
109.06512	2.1
109.10159	36.6
110.03650	3.6
111.04443	4.7
111.08147	2.5
115.88737	1.5
117.07010	12.2
119.08600	19.1
121.10147	34.7
122.22793	1.3
123.04418	1.8
123.11705	18.3
125.09634	1.9
126.05999	1.4
127.03947	7.5
129.07002	3.9
131.08589	21.5
132.99507	1.9
133.10133	14.1
135.11688	30.4
137.09679	3.3
137.13239	6.5
139.03847	1.9
139.11227	2.1
143.08542	3.2
145.10138	14.6
147.08022	1.7
147.11671	13.4
149.09540	2.2
149.13278	19.7
151.14827	2.3
153.12721	1.8
155.08633	2.1
159.11713	17.3
161.05963	1.6
161.13301	9.8
163.11250	2.8
163.14815	11.7
164.21820	1.4
165.12801	3.2
169.10132	1.7
171.11659	1.6
173.13281	15.4
175.14857	4.2
177.12753	1.9
177.16393	5.0
179.14320	3.8
187.14803	8.2
189.16348	2.2
191.00165	3.8
191.14330	2.5
201.16386	3.2
215.17931	1.8
233.19002	1.5
233.22617	3.6
243.21091	32.3
245.17421	1.4
254.13107	1.3
259.20520	2.0
261.22147	100.0
263.23663	2.9
279.23245	5.9
303.23065	1.7
335.25836	22.7
353.26874	72.6
365.27551	1.4
369.24243	2.9
377.26697	1.5
451.21664	2.2
489.35580	2.0
561.27106	5.9
579.27618	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1709
Annotation	vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
51.67694	1.3
52.38563	1.3
56.41010	1.7
57.03443	3.6
59.57660	1.3
69.89851	4.8
69.90261	3.0
71.04997	26.4
85.02913	26.6
95.00632	1.4
98.21471	1.6
100.19728	1.4
119.04958	3.0
121.02888	6.0
127.03944	1.8
129.05498	3.6
139.93381	1.5
145.02818	1.9
163.03911	2.6
165.01886	6.0
167.03481	2.0
255.06535	2.3
256.07449	2.0
267.06595	5.4
270.05060	2.0
271.05981	7.8
281.08170	3.7
283.06021	90.9
284.06799	13.8
285.07455	1.8
295.06085	13.4
295.09167	2.4
297.04367	1.9
297.07626	6.5
309.07489	17.5
313.07068	100.0
321.08063	1.8
323.05600	3.1
323.09109	17.5
333.07587	2.8
337.03156	2.7
337.07074	41.3
343.08167	4.0
349.07117	8.1
351.08469	4.8
361.06982	7.1
367.08124	23.8
379.08173	17.6
397.09238	22.5
415.10242	34.9
433.11325	68.5
579.17145	6.7
583.40198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1709
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.05502	4.6
57.03434	8.5
65.62387	2.4
69.03426	7.1
70.34344	5.4
70.34748	5.2
71.04998	82.5
73.02905	11.9
80.91851	2.3
83.04984	10.1
85.02908	81.0
94.21601	2.5
98.28760	2.5
99.04447	5.6
105.07027	3.1
105.15462	2.2
111.04453	6.2
117.05504	10.6
121.02860	16.4
123.04457	8.3
123.57784	2.4
123.99453	2.6
127.03920	17.5
129.05492	17.1
135.04454	4.8
139.03889	9.9
142.28864	2.3
147.06528	5.7
153.01915	3.0
161.05902	2.9
163.03920	7.0
163.06018	7.9
188.34854	2.5
203.03477	3.0
271.06018	4.0
274.17938	2.4
283.06116	6.4
287.05505	100.0
297.07385	3.3
299.05634	16.3
311.05658	3.5
313.07007	3.6
325.07022	5.8
329.06500	37.8
351.08768	4.7
353.06610	11.3
379.08029	11.4
397.09177	26.2
409.08426	3.0
415.10175	12.2
425.55072	2.8
433.11264	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside)
Peak:m/z	Relative Intensity
51.02372	1.5
55.01873	1.4
65.03911	1.5
67.05509	1.0
68.99795	4.1
71.04984	2.1
73.34832	0.9
77.03925	1.0
79.05511	1.0
79.45169	0.8
81.03442	2.1
85.02885	2.3
85.13501	0.8
91.05490	1.6
93.03416	1.0
95.04987	2.0
98.21451	2.0
102.45724	0.8
105.03371	1.8
107.04951	5.0
109.02896	2.2
111.00800	2.3
111.04457	2.2
115.05479	1.0
117.03399	0.9
118.98901	0.8
119.04953	4.0
121.02888	2.0
123.04435	100.0
123.78735	0.9
127.03923	68.6
131.04929	1.8
133.06490	1.4
135.04416	26.4
137.02345	2.8
137.06027	1.0
139.03906	34.9
141.07010	1.0
143.04912	1.6
147.04414	13.9
149.02341	3.4
149.05978	1.5
151.03896	4.9
159.04437	2.7
161.05978	5.2
163.03911	33.1
165.05487	10.6
167.03404	5.8
169.04980	1.1
169.06485	1.3
171.04449	1.1
173.05998	3.0
175.03896	3.6
177.05469	2.9
179.03380	4.7
181.04973	2.5
181.06514	1.7
183.04413	1.1
185.05954	1.8
187.03912	6.4
187.07564	0.9
189.05502	3.5
191.03389	9.9
193.04984	6.5
197.05960	3.9
199.07739	0.9
201.05440	7.0
203.03395	12.2
203.06950	1.5
205.04984	3.1
207.06509	2.3
213.05467	2.9
215.03508	1.4
215.07016	2.4
217.04921	4.0
219.73267	0.9
221.04503	1.0
225.05515	1.4
229.04967	7.4
231.06648	1.3
233.04388	2.3
241.04810	1.3
243.06496	3.8
245.04459	14.4
247.06029	16.0
249.45204	0.9
255.06604	3.7
257.04483	15.7
258.05118	2.4
259.05994	6.5
266.08932	0.9
267.06482	1.1
269.04385	4.1
271.06015	17.2
273.07458	1.4
275.05496	13.2
281.07846	0.9
283.06006	14.3
284.06781	1.2
285.07635	2.6
287.05518	39.9
289.07050	8.5
291.08621	10.9
295.06079	1.7
295.09433	1.0
299.05524	10.6
301.07098	10.6
303.08633	2.5
306.51117	0.8
309.07501	1.5
313.07153	9.5
323.09164	1.5
337.06967	2.8
367.08084	2.9
379.08240	1.9
391.07892	0.9
397.09055	2.6
409.09177	36.8
411.10773	3.0
415.10098	3.9
421.09302	1.7
427.10220	5.4
433.11356	5.7
435.10739	5.3
439.10254	5.7
453.11920	1.1
579.15881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.01878	2.4
65.03946	2.0
67.05521	1.3
68.99802	4.4
69.30788	10.8
70.06596	1.4
71.66825	1.1
79.05482	2.2
81.03419	2.4
85.02926	2.1
88.62166	1.2
89.03880	1.6
91.05491	3.2
95.04983	3.0
99.04475	2.3
105.03373	1.6
107.04940	6.7
109.02879	4.1
111.00816	3.7
111.04431	2.9
119.04957	5.5
120.49599	1.3
121.02919	2.0
123.04436	77.6
127.03925	100.0
131.04936	2.0
133.06456	1.4
135.04430	36.1
137.02380	2.2
139.03915	63.2
141.07027	1.4
142.75063	1.1
147.04428	11.9
149.02357	4.3
149.05981	1.8
151.03941	9.9
152.18419	1.2
153.06934	1.7
155.04941	2.2
157.06564	1.3
159.04448	3.9
161.05980	4.3
163.03917	41.5
164.07080	2.7
165.05518	9.7
167.03471	9.9
169.06496	1.5
173.06042	2.0
175.03935	6.9
176.04391	1.2
177.05518	4.2
179.03429	5.1
183.04457	2.4
185.06030	1.6
187.03867	6.5
187.07573	1.5
189.05513	4.1
191.03427	12.7
193.05000	4.4
197.06010	4.1
201.05502	6.9
203.03378	12.0
203.07036	2.2
205.04961	3.3
207.06528	6.3
207.13791	1.5
208.06871	2.6
210.07776	2.2
211.08095	1.3
213.05453	3.0
215.03470	2.9
215.07043	2.8
217.05026	2.2
225.05490	1.6
229.04933	10.4
231.06487	1.6
233.04488	6.0
241.04994	3.0
243.06541	3.2
245.04478	12.8
247.06024	20.5
253.05119	1.8
255.06567	2.9
257.04486	14.8
259.06064	9.0
269.04532	3.7
271.06046	21.6
273.07614	3.0
275.05505	20.7
283.06000	10.5
285.07581	2.0
287.05521	33.0
289.07037	11.0
291.08698	14.5
299.05515	5.2
301.07086	15.4
303.08789	2.9
311.05814	1.3
313.07101	1.7
391.97849	1.3
409.09189	35.5
411.10739	5.0
421.09042	2.2
427.10248	8.8
435.10794	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	579.15
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
55.05504	1.3
58.60121	0.9
65.03923	0.9
67.05486	1.1
69.03439	5.4
71.01354	1.5
71.57217	0.8
74.02676	0.8
79.64014	1.1
81.07058	1.2
83.04975	6.1
85.02903	1.4
91.05492	10.5
93.00465	0.9
93.07021	1.3
95.04966	1.3
105.07025	1.9
105.35943	0.8
111.04442	3.5
119.04955	23.1
121.02864	1.1
121.10160	1.1
127.03944	1.1
129.05484	1.0
133.10052	0.9
137.05962	1.1
147.04417	100.0
149.09576	0.8
151.03871	1.1
161.05978	0.9
165.05435	1.4
167.07025	2.2
173.05948	0.9
181.04997	1.5
187.07536	1.0
193.12108	0.8
215.07074	1.4
216.07756	0.9
239.07011	1.2
287.05484	17.0
293.10214	7.9
299.05649	1.2
434.39566	0.9
579.21259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
55.05492	1.6
65.03941	1.2
69.03432	3.9
69.91516	2.4
70.06576	0.5
71.01362	0.8
71.05014	0.7
79.05491	0.8
83.04977	5.0
83.36716	0.5
85.02917	0.7
91.04961	0.9
91.05483	10.4
93.07073	0.7
95.04964	1.4
98.21358	0.6
105.07030	1.3
107.04958	2.0
107.08603	0.8
111.04446	3.6
119.04953	20.1
121.02862	2.9
123.04408	0.9
127.03864	0.6
129.05516	0.8
133.10098	0.8
137.06114	0.7
147.04416	100.0
151.89677	0.5
157.06551	0.6
165.05502	1.0
167.07042	0.9
169.04933	1.1
181.05003	0.9
189.05476	0.8
201.05383	0.7
213.09143	1.3
231.06596	0.5
255.30553	0.5
258.27277	0.6
275.09344	0.6
283.05997	1.6
287.05515	9.4
293.10260	8.0
295.88403	0.6
299.05453	2.8
311.05505	4.0
313.07077	0.7
325.07269	0.6
329.06659	3.3
337.07016	0.9
353.06696	1.5
379.08264	1.6
397.09122	1.5
415.10489	2.5
429.09702	0.9
457.09106	0.8
473.36572	0.6
579.14703	4.3
579.32141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Vitexin 2''-O-p-coumarate
Peak:m/z	Relative Intensity
64.66407	0.5
65.03929	1.8
67.05485	0.5
69.03417	1.3
71.22232	1.1
79.05482	0.7
83.04973	0.6
85.02898	0.6
91.05486	13.5
93.07062	0.5
94.73506	0.4
95.04985	0.5
103.05487	0.5
105.07068	0.6
107.04968	1.3
111.04428	0.7
112.57389	0.4
118.87313	0.4
119.04951	27.5
119.29842	0.4
121.02881	5.4
121.06521	0.5
123.04464	0.9
127.03927	0.9
128.72151	0.5
131.04938	0.7
135.46848	0.5
137.05907	0.5
145.06442	0.9
147.04417	100.0
148.04852	0.5
161.02422	0.5
165.05530	0.6
167.07018	1.1
177.05443	0.7
181.05051	1.1
185.37402	0.4
189.05576	0.7
199.99532	0.4
201.05441	0.8
223.07594	0.4
223.25687	0.4
225.05617	0.5
245.04314	0.5
251.06865	0.5
275.09174	2.5
283.06036	2.6
286.04767	0.5
287.05551	3.6
293.10153	1.4
299.05493	6.9
300.06210	0.9
311.05530	8.5
313.07327	1.2
325.07208	1.4
327.04965	0.4
329.06610	8.9
337.06912	0.6
351.08630	1.0
353.06653	2.1
371.07773	0.9
379.07996	3.6
397.09293	3.5
415.10352	4.8
416.14737	0.8
429.09439	2.1
433.11377	1.1
456.32187	0.5
457.09290	2.3
475.10062	2.3
561.14355	0.9
579.14764	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	578.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16290	1.0
59.93160	0.9
68.06415	0.8
68.99786	2.3
70.45538	0.9
70.73090	2.0
70.73429	1.6
74.51968	0.8
87.35125	1.1
123.04445	11.5
124.04764	3.1
127.03928	3.3
137.02356	11.4
138.02676	2.7
139.03888	2.8
147.04469	1.5
149.02388	1.9
151.03836	1.2
163.03943	1.6
175.03856	1.2
177.06982	2.0
178.68036	1.0
185.05991	1.1
189.05438	1.3
194.07263	1.4
203.03387	1.2
205.06458	6.9
213.05371	1.3
222.06784	2.9
231.06435	1.7
233.06042	5.5
235.07547	3.1
237.09079	9.2
242.05447	1.3
246.04677	1.2
252.07715	1.2
255.06493	1.7
259.06161	1.6
263.06824	1.0
264.07745	2.0
265.05890	1.9
265.08603	26.9
271.06012	1.2
283.05893	1.1
287.05518	100.0
288.05856	97.7
288.09216	2.1
289.06198	2.8
295.09668	54.4
299.05518	2.9
300.05838	2.6
312.09106	0.7
312.12360	16.3
313.07269	1.5
336.06149	1.3
420.08023	2.4
425.08771	4.5
426.09036	11.8
438.09183	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	579.1498
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
54.61288	0.7
55.01870	1.8
57.83419	0.7
65.03927	1.1
68.99785	5.2
69.51463	5.7
79.10454	0.7
81.03419	3.0
89.03919	1.0
91.05489	0.9
95.04979	1.1
99.04478	1.0
105.03415	1.0
105.18320	0.8
107.04987	2.5
109.02892	3.4
111.00816	2.4
111.04452	3.2
119.04964	1.7
121.02872	1.2
123.04439	45.6
127.03927	100.0
129.07008	0.9
131.04926	1.9
135.04425	32.5
137.02315	4.3
137.05994	1.0
139.03909	54.5
141.06982	0.9
143.04979	1.2
147.04422	6.8
149.02364	3.6
149.06004	2.2
151.03940	8.8
159.04393	3.8
161.06017	3.5
163.02538	1.7
163.03912	31.9
165.05495	5.7
167.03433	8.1
169.06433	1.5
173.06029	2.9
175.02605	0.9
175.03952	3.4
177.05475	3.5
179.03412	2.8
183.04375	1.3
185.05997	1.7
187.03896	6.0
189.05545	1.8
191.03421	11.4
193.05006	2.3
197.05983	4.3
201.05498	5.8
203.03391	7.9
203.07137	1.7
205.05006	2.2
207.06529	1.8
213.05598	1.9
215.03448	1.1
215.07086	2.7
217.05028	1.6
222.92369	0.8
225.05537	1.2
229.04993	5.5
231.06584	1.9
233.04366	5.2
241.04915	1.5
243.06558	4.5
245.04460	6.2
247.06058	15.5
251.05386	1.6
255.06552	1.4
257.04459	10.0
259.06100	6.7
269.04489	2.7
271.06046	16.8
273.07520	1.3
275.05502	15.5
283.06018	5.7
287.05548	19.4
289.07138	12.4
291.08655	14.3
299.05515	3.0
301.07062	13.0
303.08658	2.2
308.77640	1.0
313.07043	1.3
391.08145	1.6
409.09219	21.5
411.10855	2.1
421.09229	1.0
427.10248	6.0
435.10178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
55.01871	1.6
67.01873	1.0
67.05493	0.8
68.99784	5.1
69.92901	1.8
69.93291	2.2
77.42377	0.7
79.05482	1.1
81.03423	3.3
89.03929	1.0
91.05494	1.0
95.04955	2.4
98.20801	1.1
99.04443	1.6
103.05507	1.1
107.04963	3.0
109.02874	2.8
111.00803	2.7
111.04426	2.5
115.37734	0.8
119.04942	2.0
121.02856	1.9
123.04432	44.6
127.03918	100.0
131.04939	2.0
135.04414	29.6
137.02345	2.7
139.03902	49.5
147.04424	7.7
149.02335	4.6
149.05983	2.6
151.03922	7.1
155.04958	0.9
159.04446	2.8
161.05983	3.4
163.03911	36.0
165.05467	6.4
167.03389	8.3
169.06532	2.4
173.05983	2.6
175.03925	4.3
175.07504	0.8
177.05481	4.2
179.03436	3.7
181.05046	1.0
183.04526	1.1
185.05927	1.2
187.03902	5.8
189.05522	3.1
191.03400	12.7
193.04976	3.3
197.06018	2.8
201.05444	6.7
203.03391	9.1
203.07033	1.3
205.05005	3.3
207.06578	1.4
213.05513	2.1
215.03455	1.1
215.07069	2.1
217.05020	1.6
221.04758	1.0
225.05478	1.0
229.04965	7.6
231.06415	1.2
233.04453	4.7
241.04942	1.1
243.06541	4.9
245.04417	6.2
245.59279	1.0
247.06009	15.1
253.04692	1.2
255.06573	1.3
257.04474	10.1
258.05338	1.1
259.06033	7.1
269.04361	2.0
271.06018	16.7
273.07605	0.9
273.69183	0.9
275.05524	15.1
283.05945	6.8
287.05496	20.9
289.07065	11.6
291.08582	13.1
299.05518	3.4
301.07065	12.9
303.08652	2.4
391.08307	1.5
409.09207	21.6
411.10706	2.9
421.09134	1.3
427.10202	6.3
439.10095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20445	1.6
71.55695	2.8
76.28092	1.6
106.08424	1.7
114.09187	1.4
115.38799	1.4
123.04443	3.3
127.03865	1.7
135.04379	1.9
139.03847	3.5
151.03915	2.5
165.07043	1.9
169.92603	1.7
177.06920	3.8
192.72206	1.5
194.07086	1.5
205.06448	12.4
222.06784	6.6
233.05960	14.7
235.07529	5.3
237.09120	20.1
250.06194	2.0
252.07706	1.6
263.07159	2.2
264.07898	2.7
265.08585	43.8
280.07355	2.5
287.05435	4.4
289.06985	3.0
295.09674	100.0
296.09869	1.6
312.12347	31.9
387.35825	1.5
414.15054	1.9
577.22357	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	577.134
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
62.98451	0.2
67.81997	0.2
68.99780	0.9
70.21574	0.7
74.47359	0.3
93.47041	0.2
96.76087	0.3
109.02877	0.5
111.00800	0.4
121.02840	0.5
123.04437	6.3
127.03925	1.2
137.02348	7.4
137.03395	0.5
139.03920	1.7
139.26100	0.2
145.06493	0.2
147.04402	0.9
149.02318	1.1
151.03893	0.8
157.06552	0.5
161.06026	0.4
163.03900	0.5
165.01831	0.4
167.03571	0.3
167.04895	0.3
170.21924	0.2
171.04405	0.5
173.05952	0.3
175.03922	0.8
175.07474	0.2
177.01926	0.3
179.03348	0.5
185.05959	0.7
189.05447	1.0
191.03265	0.3
199.03926	0.9
201.05469	0.4
203.03433	1.5
213.05441	1.5
217.05058	0.5
225.05482	0.3
227.03374	0.7
231.06566	1.3
234.34106	0.3
241.04999	0.6
245.04398	1.3
247.06012	0.6
247.34367	0.3
255.06360	0.4
259.06100	1.3
269.04440	0.8
271.06091	1.6
273.07739	0.4
283.06161	0.3
287.05505	100.0
288.05984	1.3
299.05466	2.1
301.06763	0.3
304.33475	0.2
311.05402	0.7
335.05417	0.4
407.07571	0.4
419.07642	1.4
425.08676	9.5
426.09222	0.3
437.08801	4.6
559.12610	0.4
577.22083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.0
55.05515	0.9
63.02441	0.8
65.03947	1.6
67.05505	2.7
68.99792	7.2
69.03423	1.4
70.06587	0.9
79.05475	1.3
81.03415	1.3
81.07033	1.1
82.05838	0.8
83.01343	2.9
83.04988	1.2
83.69019	0.8
85.02913	0.9
91.05492	1.6
93.03400	1.6
93.07044	1.2
95.04967	2.8
97.02878	1.7
99.04459	0.8
103.90898	0.7
105.07005	1.7
109.02873	1.5
111.00801	7.1
111.04464	4.3
119.04965	1.7
121.02848	1.1
121.06492	1.5
123.04435	20.9
127.03947	1.9
128.06229	3.6
129.06990	2.9
133.10153	1.1
135.04457	0.9
139.03908	82.3
141.06958	1.0
145.02855	1.1
147.04384	0.9
151.03914	34.4
151.07477	0.9
157.06471	7.5
159.11690	0.9
163.03940	7.4
165.05470	0.8
165.07007	1.9
167.03487	1.0
167.06990	1.4
177.06950	2.6
179.08556	1.4
181.05037	1.0
181.06548	1.3
185.05975	8.0
189.05492	2.0
189.07037	1.4
191.08444	3.9
193.06468	2.8
193.75879	0.8
195.04375	3.9
196.05145	1.0
197.06003	3.2
199.03993	1.1
202.07794	1.6
202.12204	0.8
203.08612	1.0
205.06479	2.5
207.04536	1.3
207.06369	1.6
207.08096	2.8
208.09676	2.1
209.05989	0.8
209.10057	1.0
212.04695	7.9
213.05453	13.0
213.07248	0.7
215.03238	0.8
217.06393	1.9
218.07231	1.5
219.08017	2.5
221.05984	2.2
223.03922	2.2
223.07515	1.0
225.05478	3.0
227.03325	1.7
231.08115	2.5
233.05965	1.6
235.07483	4.2
236.04776	1.6
237.05557	3.8
239.07173	1.0
241.04956	100.0
242.05170	1.0
243.08173	1.3
245.04442	2.3
249.03064	1.7
249.05476	24.6
249.09254	1.1
251.03371	4.8
251.07040	14.8
252.04274	1.6
253.04945	9.0
259.07581	3.7
261.05475	1.4
263.03275	1.4
263.07092	6.4
265.04984	0.9
271.07593	1.9
273.05429	5.4
275.03513	2.7
275.07016	17.9
276.04068	0.9
277.04993	10.2
277.08319	1.4
281.04382	5.9
287.07339	6.0
289.04849	1.4
291.06522	10.8
292.06976	1.0
293.08218	0.9
294.08493	1.2
297.05511	2.1
299.07089	1.2
301.04953	1.3
303.06522	1.9
305.04321	1.2
305.08173	2.1
315.06519	8.2
317.04422	1.7
317.07800	1.1
319.06000	7.9
323.05536	1.3
331.06052	1.8
333.07529	3.2
337.06992	1.4
343.06058	15.3
349.07108	7.6
359.05530	1.4
361.07056	39.0
377.06528	6.7
379.08157	26.5
381.59412	1.0
389.06287	1.3
395.07590	3.0
401.06424	2.5
407.07657	18.9
425.08624	1.6
509.08322	1.5
527.09503	3.6
545.10864	27.2
577.12988	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	576.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29623	0.4
61.27897	0.4
63.03461	0.4
91.61642	0.4
130.46054	0.4
165.07063	0.5
176.06291	0.4
177.07066	2.6
179.08551	0.6
179.85037	0.4
183.44266	0.4
189.07060	0.6
190.39378	0.4
191.08638	0.4
194.07338	1.1
197.27449	0.4
205.04594	0.7
205.06499	13.4
206.07050	0.6
206.74796	0.4
207.08121	1.6
217.06453	0.4
219.08034	0.7
222.06744	5.2
233.05986	13.4
234.06732	1.0
235.07535	3.7
237.09119	20.7
245.56306	0.4
250.06267	2.3
252.07800	1.6
263.07013	2.9
264.07889	3.9
265.08615	51.2
266.08887	0.7
280.07294	2.3
287.05573	1.7
295.09671	100.0
296.10028	0.9
312.12317	29.8
328.44183	0.4
429.82446	0.5
576.21167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1195
Annotation	3,5,7,4',3'',5'',7''-Heptahydroxy-3'-O-4'''-biflavanone
Peak:m/z	Relative Intensity
54.38424	0.4
55.01867	1.2
55.05514	0.5
57.96032	0.5
65.03943	0.8
67.01865	1.1
68.99474	0.7
68.99802	6.5
69.03406	0.7
70.96329	0.6
70.96661	1.0
79.05473	1.0
81.03419	1.3
83.04972	0.6
84.10255	0.4
85.02902	1.8
85.23933	0.5
86.88049	0.5
87.86923	0.5
89.03920	1.3
91.05524	0.6
91.50512	0.5
93.03397	0.8
95.04973	0.6
97.02879	0.9
98.03374	0.4
102.17754	0.4
103.05478	0.9
104.19972	0.5
105.03423	0.5
105.07064	0.8
107.04981	2.7
109.02889	1.5
111.00826	4.0
111.04456	2.2
115.05457	0.9
115.15280	0.5
117.03346	0.8
117.06984	0.5
119.04973	0.8
119.08584	0.5
121.02872	3.8
121.10196	0.5
123.04446	17.5
123.11759	0.7
127.03934	26.1
129.07060	0.9
129.93561	0.4
131.04980	2.2
133.02829	0.4
133.06534	0.6
135.04431	22.5
137.02361	15.1
137.03380	0.9
137.05972	0.5
137.09583	0.6
139.03914	5.7
139.04996	0.5
139.05453	0.8
141.06984	1.1
143.04926	1.2
145.06483	1.3
147.04439	7.4
149.02359	19.0
149.05977	2.0
150.03078	0.6
151.03947	2.7
153.01839	21.0
155.03386	4.5
155.04785	1.2
157.06468	2.3
159.04449	2.2
160.05275	0.5
161.05956	3.0
163.03922	24.8
165.01859	1.8
167.03412	0.9
167.04865	0.6
169.06491	1.4
171.03000	0.6
171.04420	1.1
173.05988	2.7
175.03922	8.7
175.07593	0.7
177.01906	1.2
177.05476	4.2
179.03423	1.2
181.06569	0.6
183.04453	1.6
185.05975	5.4
187.03888	3.1
189.05463	3.2
189.12682	0.7
191.03471	0.9
197.06038	2.8
199.03889	1.1
200.04688	0.7
201.05515	3.9
203.03407	14.9
203.07040	1.0
205.05005	1.4
207.13879	0.8
209.05975	0.5
211.03896	0.5
213.05504	10.1
215.03383	1.1
215.07034	1.3
217.05000	2.4
219.06485	0.7
221.04419	2.5
225.05473	2.4
226.06284	0.6
227.03432	1.3
229.04944	5.0
231.06529	18.5
237.05490	2.0
239.03387	0.8
241.04979	4.5
242.05745	0.9
243.06541	2.1
245.04474	10.5
247.06023	12.4
252.04874	0.5
253.05090	3.1
255.06503	1.4
257.04523	3.8
258.05222	3.9
259.06024	19.0
260.06589	0.6
261.07535	2.2
265.04947	1.7
267.06973	0.5
268.03708	1.0
269.04468	11.5
270.05008	0.5
271.06021	10.0
272.06354	0.5
273.03857	0.7
279.06641	0.5
281.04483	1.7
282.05209	0.7
283.05902	2.2
285.04065	4.4
285.07239	0.9
286.04776	0.9
287.05518	100.0
288.05887	1.0
289.03589	1.6
289.07062	14.9
293.04385	0.7
295.06088	0.8
297.03961	0.8
299.05511	16.3
300.06021	0.7
309.04181	0.6
311.05530	4.5
313.08676	0.8
315.05115	0.6
317.06799	0.7
323.05453	0.8
327.04984	1.3
329.06711	2.0
333.07544	1.1
335.05408	0.7
343.06070	0.5
351.04782	0.6
361.07065	1.8
363.08676	0.6
365.06378	0.5
375.08688	1.3
377.06473	3.4
379.08206	1.0
385.07257	0.8
387.08719	0.7
389.06543	2.0
391.08160	1.2
394.06802	1.3
395.07651	10.6
403.08060	1.6
405.09674	1.9
407.07639	6.0
409.09155	2.4
413.08694	7.8
417.06152	0.6
419.07938	1.0
421.09183	2.6
423.11243	1.0
425.03137	0.7
425.08713	9.9
431.07706	9.2
435.07263	2.9
437.08615	0.6
447.06790	0.9
449.08765	7.1
453.08099	2.3
511.09717	0.7
529.11200	1.1
539.09991	2.3
557.10748	9.5
575.11853	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	573.3035
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03949	0.9
55.01874	0.9
55.05511	5.0
57.03433	4.8
57.07079	25.6
65.03934	0.7
67.05502	11.6
69.07077	5.2
70.77388	0.5
71.04990	0.6
71.08634	18.9
71.58185	0.6
74.09704	0.7
74.89818	0.5
79.05505	3.4
79.86073	0.6
81.03419	4.5
81.07063	11.9
83.04972	0.6
83.08621	7.0
85.06543	1.3
85.10188	10.4
89.06023	0.7
90.90008	0.7
91.05478	2.7
93.07059	4.6
95.04976	1.5
95.08609	14.8
97.10176	3.1
98.98466	26.4
98.99117	1.3
99.04435	0.9
101.57067	0.7
103.07563	0.7
105.04547	0.9
105.07020	3.6
107.04965	0.7
107.08599	2.9
109.02891	3.7
109.10152	7.4
111.11717	0.8
117.07020	1.4
119.08567	2.7
121.06445	0.7
121.10136	2.7
123.08073	0.7
123.11716	2.5
127.03920	0.8
129.07048	1.0
131.08554	1.1
133.10143	2.3
135.11665	1.5
145.10147	2.0
147.11722	1.9
149.13252	1.3
149.26840	0.6
155.01048	23.6
157.10115	1.8
159.11665	1.7
163.06023	0.6
171.11725	1.0
173.02133	2.0
173.13275	1.0
175.11186	0.9
189.12686	0.7
199.72527	0.6
206.26419	0.6
235.13303	0.6
239.23598	3.8
243.02679	0.9
249.16615	0.7
261.03766	1.7
275.20154	1.0
313.27371	100.0
314.27878	1.5
317.06366	3.4
335.07153	2.9
348.36597	0.5
383.27954	1.4
393.23904	4.6
401.28986	2.3
407.26898	0.8
524.09369	0.7
537.28119	2.3
573.48645	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	574.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03283	0.9
53.77889	1.0
54.32965	0.9
62.64223	0.9
67.96404	1.0
71.40658	1.5
84.69434	1.0
126.89396	1.1
176.06239	1.5
177.07040	3.1
179.08545	1.8
205.06532	19.5
207.08083	1.9
233.05995	13.6
235.07541	31.9
263.07068	58.0
293.08093	100.0
294.08456	1.7
310.10767	29.3
310.14377	1.7
372.89819	1.0
411.99182	1.0
472.51236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85236	1.7
71.55582	2.6
78.04694	2.5
79.05492	5.6
91.05476	4.2
96.66896	1.9
97.06536	1.7
103.05459	4.6
105.07015	4.6
107.04956	5.8
121.06469	2.4
123.04416	4.5
124.05207	2.0
129.15443	1.8
131.04932	7.1
133.06512	3.1
137.06009	2.8
145.06438	2.5
151.07578	3.6
161.05994	6.7
163.07520	10.7
167.07053	100.0
168.76414	1.6
175.07477	2.0
177.09097	1.7
178.08676	2.7
179.07021	5.1
181.08620	7.6
187.07487	2.7
193.08652	15.1
225.09160	1.9
233.11768	3.1
269.99069	1.8
309.07724	3.6
323.12863	2.3
355.15384	11.4
387.18088	9.3
405.19153	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	572.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64066	0.4
70.90380	0.9
70.90719	0.5
75.63570	0.4
83.04971	0.4
91.05536	0.4
105.07126	0.5
124.04065	0.4
140.19334	0.4
148.06841	0.4
167.86398	0.4
176.06340	0.6
177.06961	3.5
178.07640	0.5
179.08557	1.0
181.34106	0.5
189.06990	1.0
198.66893	0.4
205.04578	0.9
205.06500	17.2
207.08199	1.9
222.06821	0.6
233.05989	15.5
235.07549	32.0
236.08005	0.6
237.08919	0.8
245.06076	0.6
249.05431	0.6
251.07178	0.5
263.07047	58.4
265.08740	0.4
275.07309	0.4
281.09091	0.4
293.08081	100.0
294.08426	1.0
303.22308	0.4
310.10733	28.3
554.22772	0.5
572.26782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
69.62983	2.5
72.42487	0.4
73.02914	0.7
78.04713	1.5
79.05496	3.6
81.03381	0.4
91.05484	2.2
95.04988	1.0
96.05711	0.6
98.36199	0.4
103.05484	3.5
105.03422	0.4
105.07033	4.4
106.04167	1.3
107.04942	5.1
115.05470	1.4
117.07051	0.8
121.06502	1.7
122.03746	0.5
123.04452	4.7
123.08052	0.5
124.05233	1.8
125.06058	0.5
129.06999	0.9
131.04944	6.0
131.08597	0.5
133.06482	4.3
135.08070	0.8
137.05952	1.9
141.07028	0.5
143.04875	0.4
144.05742	0.8
145.06499	2.1
147.04393	1.6
147.08125	0.6
149.06023	0.8
151.03912	1.2
151.07512	3.2
152.04672	1.8
153.05537	0.6
158.07248	0.9
159.08057	1.2
160.05142	0.6
161.05995	6.9
163.07558	11.8
165.09097	0.8
167.07053	100.0
168.07498	0.7
173.06006	1.2
173.09679	1.5
175.07487	2.2
177.05373	0.5
177.09149	2.1
179.07054	3.3
181.08615	6.5
187.07532	2.4
189.09149	0.6
191.06924	0.5
192.07788	0.5
193.06836	0.8
193.08614	15.9
201.09145	1.5
205.08627	1.1
217.08688	0.9
219.10207	1.8
231.08086	0.7
233.11751	3.4
237.11197	2.5
238.94847	0.5
251.12845	1.7
263.10715	0.6
282.05084	0.5
291.10242	1.1
295.13242	0.9
307.34149	0.4
323.12802	1.7
355.11282	0.8
355.15451	11.9
387.13116	0.6
387.18030	10.8
405.19119	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	570.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01857	1.5
57.03436	2.6
61.02930	3.1
65.03947	0.4
68.00357	0.4
69.03082	0.7
69.03436	10.4
70.72752	1.0
70.73091	0.7
71.01341	0.5
71.04999	1.1
73.02917	2.7
77.03916	0.6
79.05489	0.6
81.03417	4.3
85.02911	14.5
87.04467	1.8
91.03953	0.9
91.05485	3.5
95.04953	1.3
97.02899	6.9
99.04447	1.2
101.02367	0.7
103.03895	0.5
103.05486	0.6
105.03400	4.1
105.06998	0.6
105.56768	0.4
107.04974	3.6
109.02873	1.7
115.05457	5.4
117.07025	1.1
119.04992	1.2
121.06499	0.6
122.06043	0.6
123.04419	1.5
127.03923	2.2
128.06216	1.5
129.06992	0.9
131.04919	1.7
131.08553	0.6
134.06039	1.0
135.04437	1.3
135.06795	1.7
137.04970	0.7
137.05971	6.3
143.04938	17.3
144.05354	0.7
145.04997	0.7
145.06491	1.5
146.06017	0.7
149.05960	1.1
150.05513	0.9
151.07552	2.8
153.07011	1.1
155.08580	0.8
157.06459	0.7
160.05199	2.7
160.07570	0.6
161.06035	2.0
163.06281	1.4
163.07538	0.8
165.07016	1.2
167.08595	0.5
171.08063	0.6
173.06039	1.6
174.06783	0.8
175.07559	14.3
176.06979	0.8
177.07787	0.5
178.08669	14.4
179.08746	1.8
181.06537	1.0
183.08156	0.9
189.09117	1.1
191.08519	2.9
192.09277	2.1
193.10182	0.5
194.07332	0.6
195.08119	1.1
197.05923	0.8
197.09711	0.6
198.06755	0.4
199.07562	5.8
201.09164	0.5
203.08592	1.0
205.06517	1.0
206.07184	0.8
207.08040	2.1
208.08842	0.6
209.09607	1.3
209.11504	0.6
211.07556	25.2
213.09109	7.3
218.07275	0.9
219.08070	4.5
219.10207	5.5
220.08723	2.5
221.06059	0.6
221.09663	1.2
222.06903	0.5
223.07524	1.2
225.09081	2.4
227.06915	0.5
227.10538	0.6
229.08644	4.0
231.08105	0.6
232.08926	0.6
234.06718	0.7
235.07596	2.5
237.09122	6.4
238.09782	0.4
239.10693	0.5
249.09114	3.7
250.09921	3.1
251.10577	0.6
252.11520	9.0
255.10167	0.7
264.11398	0.5
266.09332	0.7
313.12299	1.7
323.10629	0.5
341.11725	3.2
358.11740	0.6
361.14108	0.8
373.14346	9.6
390.16995	35.3
391.15619	1.4
408.18094	32.2
511.12720	0.5
541.86725	0.5
552.21564	0.6
552.95288	0.5
570.23260	100.0
571.23291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
69.39455	4.7
73.02929	0.7
77.94656	0.6
81.96533	0.6
91.05476	1.3
105.07022	1.0
107.04943	1.1
115.05440	1.5
116.06232	0.7
117.07031	1.2
121.06568	0.8
128.06226	1.4
129.07030	3.4
131.08582	4.2
133.06461	0.7
141.07010	2.1
143.04933	1.3
143.08571	1.2
144.05739	2.7
145.06532	2.0
157.06517	2.0
158.07240	1.4
159.08073	10.0
161.06007	0.8
161.09612	2.0
170.07300	2.2
171.08058	1.9
172.05270	1.0
173.06010	1.5
173.09584	0.8
174.06685	1.0
175.07576	1.3
178.08647	2.3
179.08899	1.4
182.47894	0.6
187.07581	7.0
189.09109	4.2
198.06746	0.7
199.07552	1.0
201.09059	0.8
203.07018	1.9
204.07903	3.3
205.08711	0.6
216.07796	1.6
218.09407	0.7
219.10155	3.0
221.11717	0.8
230.63695	0.6
231.10178	2.3
233.11661	3.4
241.57744	0.6
249.11247	100.0
250.11598	1.6
251.08769	0.7
251.12778	4.3
267.12302	4.7
408.11984	0.6
546.60773	0.6
565.48895	0.8
570.26495	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2651
Annotation	Lindoldhamine
Peak:m/z	Relative Intensity
52.56801	0.3
55.01879	0.3
66.81225	0.3
67.28802	0.3
70.54752	0.7
70.55151	0.8
73.22109	0.3
73.22533	0.3
79.05482	0.4
87.32852	0.3
91.05489	3.7
92.18880	0.4
95.04939	0.7
98.21445	0.3
103.05471	1.1
105.03389	1.0
105.07032	0.6
107.04951	3.0
108.11963	0.4
109.44437	0.4
111.56584	0.3
115.04681	0.8
115.05460	9.5
117.07021	1.4
118.06553	1.7
119.04952	1.9
121.06541	0.4
122.03577	0.4
123.04413	0.7
128.06180	0.6
129.06995	0.8
131.04932	2.2
131.07199	0.4
132.05661	0.7
133.06467	0.5
134.06041	0.9
135.04439	0.5
135.06799	0.9
137.05983	5.5
143.04936	25.6
144.05701	0.7
145.06558	1.6
146.06009	2.5
147.04477	0.6
147.08017	0.6
151.07536	4.3
153.06989	0.5
157.06509	0.6
159.04457	0.4
160.05208	4.3
160.07570	1.4
161.05988	3.1
162.05469	0.7
162.06822	0.5
163.06299	17.8
163.07475	1.0
164.07158	0.6
165.06953	0.9
167.08580	1.1
174.06755	0.7
175.07568	12.6
176.07059	3.8
177.06918	0.6
178.08647	97.6
179.08752	2.2
181.06458	0.4
187.07581	0.5
190.08752	0.7
191.08557	2.2
192.10265	0.5
193.13585	0.3
194.07138	0.4
195.08089	2.1
196.08705	0.4
197.06053	0.5
198.06903	0.4
199.07578	1.1
205.06548	0.9
206.07248	0.6
207.08093	3.1
208.08861	0.9
209.06021	0.5
209.09669	1.1
210.06734	0.7
211.07552	3.5
212.08269	0.5
213.09096	3.2
219.08072	2.8
220.08734	1.6
221.06021	1.0
221.09589	0.8
222.06863	0.6
223.07559	2.9
224.08372	1.3
225.09050	2.8
233.06084	0.4
234.06810	0.7
235.07582	2.8
236.08385	1.2
237.09126	6.5
238.06180	0.6
238.09825	1.6
239.07069	0.9
239.10808	1.1
240.07846	0.5
241.08517	0.5
249.09172	0.4
250.09866	0.8
251.07024	1.8
251.10783	0.4
252.07883	1.1
252.11482	5.7
253.08559	3.1
254.09341	0.8
255.10191	1.3
265.08615	1.0
266.09348	1.5
267.07343	0.6
267.10123	3.5
268.10986	2.3
285.13663	0.6
306.10294	0.4
341.11688	1.3
343.13153	0.5
359.12708	0.6
361.14166	0.5
373.14401	1.8
380.31363	0.3
387.15390	0.5
389.16345	0.6
390.17340	0.6
392.18646	1.5
402.16599	0.4
404.19012	0.3
424.98132	0.3
459.40396	0.3
459.46826	0.3
517.78864	0.4
519.40662	0.3
520.20386	0.6
523.21564	0.5
540.24011	0.6
552.23846	9.2
553.24042	0.5
569.26508	100.0
570.26758	3.6
582.74524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.3
58.99585	3.7
67.05511	5.0
69.03445	3.2
69.03747	0.6
69.06730	0.8
69.07076	11.4
70.58860	1.5
71.05001	9.8
73.02914	0.5
76.02212	2.0
76.84491	0.4
80.04156	0.5
81.03414	1.5
84.04489	0.6
85.02437	1.0
85.02915	14.2
87.04466	0.8
91.03939	0.5
91.31687	0.5
93.07023	0.6
95.04989	2.4
95.43398	0.5
97.02910	2.5
98.20878	0.6
99.02687	1.4
99.04443	0.9
101.04251	29.7
102.04543	0.5
109.02886	0.9
110.06071	3.4
111.04496	0.6
112.07605	2.0
115.99002	0.5
123.04379	0.6
125.04201	0.8
126.05473	0.5
127.02141	3.8
127.03909	1.5
127.05792	1.8
129.03693	2.0
129.05464	1.9
134.06001	0.5
136.07631	0.7
138.05522	0.7
140.07069	6.3
145.04945	1.0
152.07106	0.8
154.11156	0.5
155.01645	0.8
164.07199	0.5
168.04781	1.8
170.06364	1.6
172.04291	78.3
173.04585	0.6
180.04817	1.1
182.08128	3.4
186.05743	0.6
197.07474	2.1
198.05890	4.2
206.08189	0.9
214.05365	9.2
215.08469	4.8
238.05478	0.7
239.08635	0.6
240.06882	0.8
244.06416	5.2
248.09276	0.8
255.89540	0.5
257.09442	0.6
261.09030	6.2
286.07413	0.8
302.99051	0.5
303.10010	0.7
316.08841	0.6
334.09537	1.5
353.11948	0.6
377.13904	3.5
423.14359	100.0
424.14517	1.4
465.15317	1.3
489.15353	2.5
515.16876	7.2
533.18073	0.6
551.19037	1.0
569.20563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11571	4.0
53.03934	5.8
55.05506	13.4
57.07079	10.5
65.03904	4.5
67.05507	18.9
69.07057	13.3
70.06628	4.6
71.56415	5.0
73.06097	4.3
74.01112	4.4
79.05505	26.8
80.06276	5.6
81.07066	38.0
83.04990	6.3
83.08632	5.9
83.67615	3.5
88.07590	6.6
91.04965	5.5
91.05490	53.7
93.07050	56.2
95.04980	42.4
95.08610	29.1
105.06387	6.4
105.07044	82.3
107.08589	43.6
109.06523	8.4
109.10140	22.4
117.07037	33.2
119.07793	8.4
119.08592	100.0
120.09335	5.8
121.10159	38.0
123.08096	15.4
123.11676	6.8
128.06238	13.2
129.07013	20.2
130.07782	10.1
131.08572	52.2
132.09349	17.0
133.10136	56.8
134.10930	10.4
135.08029	7.0
135.11703	22.6
137.09590	5.4
138.10396	5.3
141.07011	11.1
142.07771	17.5
143.08588	46.8
143.10350	4.3
144.09286	13.4
145.10136	86.1
146.10948	7.0
147.07991	4.8
147.11713	31.4
149.09631	8.7
153.07016	5.2
155.08582	15.4
156.09348	20.0
157.10143	51.0
158.10899	16.1
159.11693	37.7
161.13278	6.8
167.08577	7.8
167.72826	4.9
169.10143	22.0
170.10962	9.0
171.11713	41.7
173.13281	32.6
174.14026	5.6
175.14832	17.9
177.12793	5.6
179.03244	4.7
179.08508	6.6
181.10136	18.2
182.10925	7.6
183.11713	28.8
185.13271	22.8
185.78621	3.8
186.14073	8.3
187.14844	16.5
189.12790	6.6
191.14317	11.9
193.10155	6.1
194.10867	7.0
195.11734	18.0
196.12422	8.2
197.13271	30.2
198.14043	7.6
199.14824	12.5
201.16359	11.5
203.14377	6.4
207.11603	5.4
209.13272	36.0
210.13838	4.2
211.14815	20.5
213.16451	5.0
217.15916	6.5
219.17490	5.0
221.13239	9.3
222.14104	4.9
223.14836	14.1
224.15590	5.3
225.16321	4.8
233.13339	9.6
235.14890	7.8
237.16357	4.6
247.14731	4.2
249.16270	6.6
261.16214	5.8
284.29355	5.4
300.24600	4.5
301.93741	4.5
311.29419	8.6
323.23627	7.0
338.26062	54.1
353.30783	4.8
430.32327	16.0
453.86594	4.6
476.36353	18.3
524.78772	5.0
568.42841	37.1
568.56519	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.05511	11.1
56.04468	1.2
56.81841	1.3
57.07072	6.4
65.03936	4.0
67.05503	17.0
69.03412	2.3
69.07073	11.4
70.70790	2.6
70.71143	1.6
77.03916	2.4
79.05496	20.3
80.06273	3.6
81.07057	31.2
83.04984	2.3
83.08612	4.4
85.06537	3.6
91.05482	45.6
92.06277	2.4
93.06472	2.7
93.07047	53.1
94.07842	2.2
95.04967	36.6
95.08045	2.1
95.08609	26.7
97.06524	3.3
101.99635	1.2
103.05447	4.4
105.04517	1.5
105.07030	89.6
106.07799	5.2
107.08595	42.1
108.09351	1.9
109.06490	4.0
109.10162	20.8
111.08088	1.4
115.05443	7.9
116.06223	1.9
117.07021	30.0
118.07793	3.6
119.08583	100.0
120.09389	9.0
121.06496	3.1
121.10146	28.5
122.10914	2.0
123.08073	17.5
123.11720	6.2
125.09593	1.7
128.06206	12.0
129.06999	18.1
130.07809	7.4
131.08568	54.2
132.09367	12.2
133.10139	53.1
133.11003	0.8
133.11198	1.5
134.10922	7.4
135.08090	6.2
135.11678	17.3
137.09604	3.9
138.10384	8.6
139.11183	2.1
141.07013	7.0
142.07787	19.2
143.08568	44.5
144.09363	14.5
144.20773	1.4
145.10127	94.4
146.10870	5.1
147.08044	2.4
147.11691	26.4
149.09645	7.3
149.13268	3.1
151.11176	3.5
153.06953	3.9
155.08537	19.1
156.09344	18.8
157.10129	54.4
158.10896	10.3
159.08058	2.0
159.11691	43.5
160.12463	4.3
161.09616	5.4
161.13246	7.4
163.11153	3.7
163.14789	1.4
165.06998	4.5
166.07784	2.2
167.08595	9.9
168.09320	5.5
169.10120	30.4
170.10936	8.6
171.11685	34.1
172.12485	9.1
173.09679	2.0
173.13264	28.9
174.13899	1.7
175.14830	23.3
177.12781	6.9
179.08557	9.2
180.09358	3.7
181.10138	16.2
182.10915	7.7
183.11699	30.1
184.12447	4.6
185.13263	31.0
186.14029	6.2
187.11331	1.5
187.14799	14.8
188.15533	2.1
189.12813	3.6
189.16385	2.2
191.14287	10.8
192.09399	2.7
192.15044	2.6
193.10165	9.1
193.15901	3.2
194.10901	8.6
195.11688	18.8
196.12489	10.1
197.13258	27.8
198.14040	7.7
199.14799	11.0
201.12741	2.9
201.16393	10.3
203.14301	4.5
204.15080	1.7
205.10081	1.8
205.15947	1.6
206.10912	3.6
207.11739	10.3
208.12497	4.2
209.13232	27.3
210.13892	4.6
211.14813	18.5
212.15593	2.6
213.16409	5.8
217.15916	6.6
218.16714	1.9
219.11745	3.6
219.17435	1.9
220.12415	1.9
221.13284	8.8
222.14047	3.2
223.14804	11.0
224.15598	4.7
225.16319	8.9
226.17227	2.4
227.14334	2.3
227.17854	3.1
229.15829	2.3
231.11638	1.9
231.17511	3.0
231.31342	1.4
233.13206	5.0
234.14063	1.9
235.14796	7.0
236.15559	2.0
237.16393	11.1
239.18080	7.3
241.15846	1.9
241.19556	3.6
245.13190	1.9
246.13757	1.3
247.14810	4.1
249.16417	4.8
251.17975	3.9
253.16029	1.4
253.19441	3.0
254.20413	2.0
255.17500	1.6
257.18918	3.1
259.20517	2.6
261.16351	4.0
263.17859	4.1
265.19461	4.1
272.21481	1.9
273.16492	1.7
275.18109	3.4
277.19504	3.7
279.20941	2.7
283.20547	3.1
285.22043	3.8
297.22144	4.5
305.22711	2.0
309.22183	2.0
320.24777	1.7
323.23676	5.6
324.24683	1.5
336.24466	1.8
337.25192	3.8
338.26047	43.0
349.25418	2.2
351.26617	1.5
362.25671	1.4
375.26947	2.6
415.29422	1.6
420.30264	2.8
430.32324	14.9
476.36548	16.3
568.42792	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.05512	11.2
57.07059	8.4
65.03945	1.8
67.05505	18.5
69.03415	3.2
69.07072	13.2
70.60741	7.3
72.49175	2.0
79.05494	25.9
80.06289	2.7
81.07062	34.7
83.05001	3.0
83.08630	4.7
85.06564	2.6
91.05485	44.7
93.07053	58.7
94.07825	2.9
95.04977	39.1
95.08607	27.8
97.10159	2.5
103.05476	4.7
104.16059	1.8
105.07035	84.2
106.07811	5.1
107.08604	46.5
107.31082	1.8
109.06487	4.7
109.10164	17.5
115.05419	5.8
116.06202	2.6
117.07022	28.4
118.07780	3.9
119.08587	100.0
120.09347	8.1
121.06518	2.0
121.10148	34.4
123.08054	13.6
123.11665	5.0
128.06212	10.3
129.07005	21.8
130.07825	11.0
131.08582	47.5
132.09337	11.5
133.10139	59.0
134.10889	7.8
135.08040	7.3
135.11688	14.3
136.44775	2.0
137.09612	6.6
138.10370	8.4
139.11195	3.1
141.06978	5.0
142.07791	15.0
143.08568	42.2
144.09380	15.9
145.10129	90.1
146.10847	6.2
147.08018	2.8
147.11710	24.9
149.09604	6.7
149.13229	3.7
150.52545	2.2
151.11186	2.1
153.07053	3.6
155.08577	15.3
156.09352	15.5
157.10138	50.0
158.10889	11.6
159.11690	40.3
160.12479	2.5
161.09622	6.8
161.13251	8.1
163.11209	4.0
165.06895	3.3
166.07701	2.9
167.08614	10.2
168.09337	6.1
169.10124	25.9
170.10907	10.1
171.11693	35.8
172.12424	5.9
173.13263	29.6
174.14098	2.5
175.11134	2.4
175.14809	25.4
177.12772	7.1
179.08548	10.7
180.09361	3.6
181.10101	18.5
182.10909	7.0
183.11688	27.3
184.12485	5.3
185.13269	28.0
186.13983	6.4
187.14844	17.5
189.12749	4.9
189.16405	2.0
191.14284	9.8
192.15060	2.1
193.10150	7.9
193.15878	2.9
194.10880	8.7
195.11676	17.0
196.12462	7.5
197.13271	29.2
198.14001	7.2
199.14816	12.5
200.15547	2.9
201.12775	3.4
201.16399	6.0
203.14305	4.4
205.10168	2.2
206.10870	3.2
207.11705	10.8
208.12454	6.0
209.13275	28.9
210.13957	2.2
211.14838	21.7
213.16389	6.2
214.17061	1.8
217.15903	5.3
219.11670	4.5
220.12538	3.8
221.13231	7.0
222.14032	4.2
223.14833	12.7
224.15498	4.7
225.16380	9.2
226.17198	3.2
231.11574	2.5
231.17525	2.9
233.13190	2.9
235.14919	4.5
236.15691	2.9
237.16403	8.0
239.17934	7.3
241.19597	2.1
243.11696	2.4
249.16406	5.3
251.17998	4.8
253.19618	4.6
255.17365	2.0
257.19061	3.4
259.20535	3.7
261.16483	3.7
263.17981	5.3
265.19470	6.6
266.66534	1.9
267.21106	3.9
277.19669	5.7
281.19135	3.2
283.20538	5.7
285.22134	3.0
291.21033	2.7
297.22296	2.6
305.22620	2.6
311.29343	4.8
323.23767	7.0
337.25555	2.7
338.26068	47.3
349.25192	2.1
358.22693	2.5
430.32352	16.6
476.36508	20.1
553.99249	2.2
568.42908	25.5
568.56433	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	567.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.0
55.05512	11.3
55.81605	2.9
57.07077	9.6
57.88291	2.9
60.58475	3.0
61.45090	3.3
61.71043	3.5
66.06148	2.9
67.05507	18.9
68.35954	3.0
69.03450	5.0
69.07063	12.0
71.56564	6.4
79.05492	21.9
81.07059	35.9
83.04996	5.5
83.08604	6.9
91.05481	36.2
93.07048	55.0
95.04965	8.1
95.08617	35.2
97.06512	4.1
105.07034	62.8
107.08607	36.7
109.06531	8.1
109.10178	23.8
117.07026	11.1
119.08598	74.4
121.06545	3.8
121.10136	45.5
123.08072	14.8
123.11716	10.8
125.06071	4.3
128.06218	3.8
129.07048	4.5
131.08540	24.5
133.10146	36.4
135.08058	9.9
135.11668	18.4
137.09593	12.7
142.07771	12.9
143.08612	23.8
144.09293	4.7
145.10136	45.8
147.08061	23.3
147.11646	16.8
151.07567	11.9
155.08557	7.9
156.09380	5.4
157.10144	33.0
159.11716	22.8
161.13257	9.4
163.11211	4.8
164.90291	3.3
165.09117	46.8
167.08521	4.3
169.10144	12.9
170.10869	5.8
171.11703	18.4
172.12366	3.8
173.13251	15.2
175.14854	10.9
179.08607	4.5
181.10132	8.4
181.12288	5.2
183.11703	10.4
185.13269	7.0
187.11203	4.0
187.14804	7.6
189.12773	3.9
193.10156	5.6
195.11703	12.0
197.13322	9.2
199.14809	8.2
201.16360	7.3
203.14316	16.4
207.11713	4.5
207.13789	7.1
209.13229	10.2
211.14828	10.3
213.16457	6.3
221.13390	7.6
221.15385	100.0
222.15738	5.1
223.14888	4.8
225.16487	4.0
235.14786	5.9
237.16423	7.7
253.19589	4.3
265.19604	4.4
267.21127	3.4
279.20972	4.6
284.29297	16.7
299.19998	4.9
326.64990	3.4
352.23734	4.0
359.27240	5.6
361.25021	4.2
475.35580	14.5
487.35172	4.8
567.41998	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05515	25.0
57.03436	3.2
57.07071	4.1
61.02936	2.6
65.03922	1.9
66.41473	1.4
67.05496	6.6
68.05030	18.3
69.03429	14.7
69.07069	8.0
69.87956	8.7
70.06587	4.3
71.04992	4.8
73.68343	1.7
79.05494	5.4
81.03414	4.8
81.07072	9.4
82.06583	86.2
83.04989	4.2
83.08614	2.3
85.02909	30.6
91.05459	3.5
93.07047	5.0
94.06565	2.9
95.05003	1.9
95.08620	5.9
96.04507	6.4
96.08152	4.9
97.02907	7.0
97.10193	2.4
99.04462	3.2
100.07626	2.7
104.56870	1.7
105.07045	10.0
107.08598	20.8
108.08131	5.3
109.02871	5.8
109.06524	79.4
109.10159	5.5
110.06048	1.6
112.07658	3.1
114.05569	1.8
114.09216	3.7
119.08588	9.6
120.08120	1.7
121.10133	10.4
122.09672	6.7
123.04430	3.0
123.08076	5.1
123.11701	2.1
124.07584	4.0
124.11234	2.2
125.09621	3.0
127.03910	9.8
128.07089	3.8
131.08545	2.6
132.08075	2.6
133.10141	4.5
134.09618	2.8
135.11674	7.4
136.07707	1.6
136.11182	3.0
142.08644	2.7
143.08615	2.3
145.05006	5.0
146.09624	4.5
147.11659	9.6
148.05656	1.5
148.11234	13.9
149.13263	2.1
150.09155	26.3
151.03917	1.7
153.05457	2.8
158.09647	2.6
161.06058	1.8
161.13237	3.2
162.12822	3.3
164.07089	3.2
164.10744	3.0
164.14345	9.5
165.12811	14.9
166.12289	2.0
167.07057	3.6
168.10309	1.7
169.04922	1.9
171.11710	2.8
172.82942	1.7
173.11971	2.5
173.13284	2.9
174.12846	2.2
177.12799	2.5
178.08670	2.2
178.15889	2.8
182.15482	2.1
188.14363	22.7
195.13889	2.6
206.15410	100.0
224.16473	70.4
234.11325	1.7
242.17525	5.1
252.12349	5.4
368.20673	14.7
386.21735	14.5
404.17218	3.6
566.22217	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	566.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01853	2.9
55.05299	2.6
55.05515	29.3
57.03428	4.1
61.02910	2.6
62.56599	2.8
65.21203	2.6
67.05502	7.9
68.05038	21.5
68.63489	2.4
69.03433	23.5
69.07064	7.4
69.81127	5.4
69.81542	9.9
70.06590	15.5
71.04969	2.9
79.05486	8.9
81.03419	8.0
81.07056	8.6
81.64664	2.7
82.06584	92.4
83.04980	4.7
84.08109	3.4
85.02910	32.7
91.05481	7.4
93.07046	8.9
94.06575	8.1
95.05005	4.1
95.08603	11.4
96.04489	3.9
96.08135	7.5
97.02917	16.5
97.10207	3.3
97.74060	2.5
99.04507	3.9
100.07607	4.8
105.07059	14.0
107.04935	3.6
107.08598	24.4
108.08131	6.1
109.02872	5.2
109.05794	4.6
109.06525	79.6
109.10159	6.2
112.07622	4.3
114.09159	12.3
117.06996	3.0
119.08595	10.3
120.08096	5.6
121.10146	10.4
122.09647	5.6
123.04448	11.6
123.08076	3.9
123.11676	2.8
124.07610	7.6
127.03922	9.3
128.07094	3.9
132.08063	3.5
133.10085	6.3
134.09633	3.8
135.11691	8.1
136.11214	7.0
138.09126	4.2
139.03920	7.6
145.04887	6.0
146.09625	3.9
147.11679	12.2
148.11201	14.3
149.13156	3.4
150.09146	28.5
151.03917	6.8
151.07539	3.5
153.05443	6.5
158.09743	3.0
160.11171	3.3
161.13268	3.7
163.03929	5.3
164.14371	7.9
165.12746	9.8
167.07043	16.0
167.89456	2.8
173.12000	4.3
177.05482	12.0
177.12735	3.2
178.15929	3.2
179.07034	4.1
188.14322	23.1
191.07138	2.8
193.08736	2.9
195.13809	3.1
203.07019	5.3
205.08607	3.7
206.15408	100.0
217.73451	2.8
221.08061	4.4
222.08806	3.2
224.16478	89.3
234.11223	7.6
242.17545	7.8
252.12318	22.1
271.30121	2.8
368.20761	14.1
386.16605	5.2
386.21716	17.2
404.16882	7.7
404.22153	2.9
414.17538	5.6
467.89594	2.7
518.50995	3.0
560.97797	2.7
566.14526	3.7
566.22198	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	566.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20952	0.9
53.03937	1.0
58.06596	2.6
65.03943	1.0
67.05487	1.0
67.48814	1.0
68.05022	0.9
68.99799	1.4
69.03434	3.2
70.06599	25.1
70.21647	1.7
70.22016	3.1
73.79976	0.9
79.05499	2.1
81.03428	1.7
82.06574	4.6
83.04986	1.8
84.08145	2.2
85.02904	4.9
86.06128	1.3
91.05501	1.7
93.07044	2.6
94.06581	6.5
95.04980	1.5
96.08150	4.0
97.02879	1.3
100.07640	3.1
105.07098	1.3
107.04983	3.5
109.02920	1.4
112.07616	3.2
114.09178	22.5
115.05468	1.1
119.04992	1.1
121.06580	1.4
123.04434	9.5
127.03911	1.4
129.07037	1.6
133.06494	1.0
135.04448	1.1
136.07591	1.4
137.06024	2.9
139.03938	3.1
145.45378	1.0
147.04413	1.9
147.08029	1.8
149.06007	2.6
151.03909	12.6
151.07614	1.6
153.05476	18.8
157.06526	2.1
161.06042	4.0
163.03906	4.3
163.07568	2.1
165.05467	1.7
167.07072	3.3
173.06105	1.2
175.07600	5.5
177.05490	10.7
178.08612	1.5
179.07039	12.4
181.08588	1.7
185.05931	1.4
187.07498	2.2
189.05522	1.4
191.07051	2.8
193.05042	1.2
193.08640	5.2
203.07071	10.9
205.08647	5.1
206.08182	3.0
216.10294	3.6
221.08168	4.1
234.11258	15.9
252.12335	74.9
253.12718	2.0
285.07568	4.1
350.13559	1.1
368.14850	1.2
386.15988	4.0
404.17148	8.8
566.22375	100.0
567.22711	2.8
580.65601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	28380-31-6
Peak:m/z	Relative Intensity
50.10062	0.9
53.03950	2.4
55.05510	8.3
57.07066	4.6
59.05017	1.8
63.61143	1.0
65.03938	2.5
66.95123	0.9
67.05509	15.0
69.03425	2.6
69.07070	10.2
71.02174	1.1
71.02513	1.7
79.05506	14.1
81.07065	18.6
83.04990	3.4
83.08620	4.4
85.06556	2.0
91.05487	23.5
93.07052	28.4
95.04989	6.5
95.08611	19.1
97.06538	3.6
98.21380	1.3
103.05486	2.4
105.07040	41.9
107.08611	24.1
109.06534	5.5
109.10164	14.4
111.08100	1.6
115.05485	3.0
117.07021	9.1
119.08591	46.1
121.06521	3.1
121.09309	2.3
121.10158	34.9
123.08109	6.9
123.10865	1.0
123.11684	5.0
125.05986	1.3
125.09609	2.1
128.06236	5.1
129.06998	9.4
130.07790	4.2
131.08580	18.4
133.10143	29.8
135.08084	4.1
135.11700	11.1
137.09628	4.2
139.11168	1.4
141.06982	5.3
142.07791	11.0
143.08566	22.9
144.09367	4.5
145.10136	32.1
147.08055	6.0
147.11696	12.6
149.09642	5.1
149.13297	2.4
151.07584	3.7
153.06992	3.0
154.07758	2.2
155.08562	11.1
156.09384	8.9
157.10141	31.3
158.10910	4.6
159.08052	2.8
159.11699	17.6
161.09663	2.8
161.13249	5.6
163.11217	2.6
165.07051	4.0
165.09088	8.9
166.07779	1.9
167.08615	6.4
167.10686	11.9
168.09430	3.7
169.10141	17.6
170.10889	5.9
171.11688	18.5
172.12437	1.6
173.09592	1.4
173.13258	16.5
175.11176	2.0
175.14854	4.6
178.07755	1.5
179.08568	10.8
180.09352	3.3
180.88826	1.0
181.10149	11.1
181.12218	4.2
182.10872	5.8
183.11722	17.1
183.13251	1.7
184.12498	2.9
185.13268	12.6
187.14847	6.9
189.12785	2.8
191.08543	2.0
191.14284	2.1
192.09409	3.8
193.10130	9.6
194.10956	4.4
195.11714	14.1
196.12521	4.7
197.13251	12.2
199.11259	1.6
199.14853	7.6
201.12798	1.7
201.16493	3.5
203.08723	1.3
203.14378	4.5
204.09436	1.6
205.10190	2.4
205.15901	1.3
206.10893	6.0
207.11734	13.6
207.13615	1.5
208.12483	5.5
209.13263	17.0
209.15126	1.9
210.14146	1.6
211.11342	1.4
211.14833	9.5
212.15724	1.2
213.16457	4.5
215.14369	3.2
215.17889	1.2
217.10107	2.4
217.15866	1.9
218.10999	2.1
219.11696	5.7
220.12494	4.5
221.13287	10.0
221.15431	15.2
222.14032	1.8
223.14870	9.8
224.15503	1.4
225.16432	4.8
227.14478	1.5
229.10303	2.2
229.15976	1.7
230.10962	2.6
231.11772	3.8
232.12587	3.2
233.13271	7.3
233.15446	3.4
234.14044	2.6
235.14783	10.0
235.16734	1.2
236.15521	1.2
237.12579	1.4
237.16429	5.7
239.14359	1.8
239.18036	3.2
241.19556	1.9
243.11696	2.6
244.12621	1.8
245.13290	5.1
246.14128	2.9
247.14854	5.1
247.17174	1.8
248.15565	2.0
249.16470	3.9
251.18016	7.8
253.19640	3.0
257.13309	2.8
258.14023	1.6
259.14865	4.0
260.15634	3.0
261.16461	6.4
263.17960	5.3
265.19501	5.9
267.17361	1.2
271.14893	2.9
273.16418	3.3
274.17099	2.0
275.17963	3.9
277.19604	4.4
279.21008	2.2
281.13116	1.3
283.14655	1.2
283.20700	1.7
284.15735	1.6
285.16422	2.7
287.17722	2.7
288.18640	1.4
289.19528	3.7
291.21167	3.0
293.18997	2.2
295.20694	1.3
297.16336	1.2
299.20563	1.7
301.19547	2.7
303.21167	1.9
307.20734	1.7
309.22202	1.8
315.21008	1.9
317.22775	2.2
327.21078	2.0
329.22870	2.6
331.24146	2.8
333.22260	1.4
341.22824	1.5
343.24091	2.8
347.23773	2.8
357.25851	3.0
365.24893	3.7
387.27335	1.1
439.29803	1.3
445.31036	1.2
473.34277	6.6
491.33771	2.1
507.36642	1.5
508.35245	1.1
529.37762	1.7
547.39362	14.1
565.40442	100.0
566.40967	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
55.01883	0.9
57.03440	6.5
61.02919	1.9
62.67904	1.0
69.03413	2.1
71.55550	1.6
73.02921	12.0
74.40676	1.1
79.05479	1.2
81.03424	1.8
85.02897	4.5
86.27682	1.1
97.02887	2.3
101.64194	1.0
103.57860	0.9
107.04973	1.0
107.08644	1.2
109.02896	1.5
115.03904	1.5
119.04959	2.9
121.02862	7.2
127.03845	1.5
139.03918	1.5
141.01746	1.7
145.02864	2.4
149.02281	1.4
153.01836	1.3
156.04428	1.1
163.03920	2.3
165.01849	7.8
165.25789	1.1
167.03410	2.6
167.07089	1.8
177.01884	1.6
181.05009	4.2
183.02916	2.7
191.03409	1.4
193.08665	1.6
195.02859	1.1
205.04962	1.3
221.08145	1.8
229.05104	1.0
239.07069	1.9
248.70934	1.0
267.06491	8.4
270.05270	3.1
271.06036	7.0
281.08035	5.9
283.06021	96.9
284.06729	11.5
285.07474	1.3
287.05475	3.8
295.06030	13.1
295.09576	2.2
297.07571	3.4
305.08234	2.8
307.06052	1.5
308.06830	1.6
309.04208	1.4
309.07544	24.9
311.05597	1.7
313.07074	100.0
314.07358	2.7
321.07602	3.0
323.09143	14.2
333.07520	3.7
337.07065	43.5
349.07047	11.4
351.08447	2.7
361.07059	10.8
367.08133	26.9
379.08151	20.7
380.96759	1.1
386.13681	1.2
387.14606	2.2
397.09177	21.2
403.14001	3.1
415.10236	40.6
433.11346	51.8
565.15149	2.1
565.23059	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	565.1345
Annotation	Theaflavin
Peak:m/z	Relative Intensity
50.90332	0.2
53.03928	0.3
55.01877	1.2
65.03953	1.2
67.01851	0.3
67.05502	1.0
68.99792	1.7
69.03409	0.4
70.25315	0.8
81.07043	0.3
82.79560	0.2
83.04972	0.9
85.02908	0.3
88.04233	0.2
93.03439	1.1
95.04965	1.0
97.02886	0.7
99.04453	0.3
107.04945	0.3
109.02853	0.2
111.04450	4.3
115.05426	0.3
117.23750	0.2
121.02874	0.2
123.04447	1.9
126.75156	0.2
127.03928	2.6
128.06223	0.2
135.04407	0.3
137.05948	0.3
139.03908	100.0
140.04283	0.3
140.80403	0.2
141.07027	0.3
151.03909	10.3
153.05461	0.5
153.97675	0.2
157.06522	0.5
157.38098	0.2
163.03922	3.8
165.05511	0.8
165.06902	0.3
167.03429	0.5
169.06488	0.7
171.04427	0.4
173.05846	0.4
177.05528	0.6
181.04974	0.7
181.06483	0.7
183.04440	0.3
185.05989	1.1
187.07570	0.8
189.05510	0.9
189.26950	0.3
191.03377	0.4
191.06914	0.3
197.05977	1.4
199.03917	0.9
199.07626	0.5
201.05534	1.1
203.07056	0.8
205.04939	0.4
209.06049	0.5
211.03865	0.4
213.05438	1.9
215.03426	0.3
215.07059	0.7
217.04985	1.9
221.06044	0.3
223.07448	0.3
225.05525	1.2
227.07089	0.9
229.05011	1.9
231.06509	1.9
237.05463	1.3
241.05005	0.9
243.06531	2.3
245.04564	1.0
247.05963	0.3
251.07166	0.3
253.05038	0.9
255.06648	1.7
257.04352	0.5
259.05991	4.8
261.07999	0.3
265.05014	0.4
266.64120	0.2
269.04370	0.3
271.06009	3.5
277.07050	2.9
283.05994	1.3
289.07053	2.0
303.06561	0.3
307.06097	0.3
330.63733	0.2
363.08749	0.4
367.08270	0.8
379.08167	1.0
385.09332	0.5
391.08170	1.6
397.09183	0.5
403.08173	1.0
409.09100	2.8
421.09192	0.9
427.10260	13.1
565.13507	7.9
565.21777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.7
55.01884	8.6
55.05511	27.1
56.94196	5.5
57.03427	13.2
57.04731	4.2
58.23026	5.2
61.02939	6.9
63.76186	5.2
64.08372	4.8
65.97767	4.7
66.50465	5.6
67.05508	62.9
69.03437	15.7
69.07079	32.3
69.90650	5.4
71.56663	6.4
76.89155	5.4
79.05508	53.9
81.03428	20.1
81.07060	100.0
83.05003	12.0
83.08617	21.5
85.02922	12.7
85.06525	9.2
86.53277	5.7
88.57747	5.0
91.05500	45.7
93.07056	65.5
95.04989	12.7
95.08610	31.2
97.02869	9.9
97.06547	22.7
97.10130	5.7
99.08102	5.4
105.07030	43.8
107.04967	10.6
107.08612	41.8
109.06535	11.8
109.10148	11.4
111.08067	6.7
115.05467	5.5
117.07043	23.5
119.08569	34.9
120.41507	4.9
121.06500	6.3
121.10165	23.8
122.75247	5.0
123.04439	5.0
123.11731	7.8
127.03928	12.1
129.07011	13.0
131.08580	17.6
133.10165	29.7
135.08060	14.2
135.11697	22.5
145.06461	7.5
145.10115	29.0
147.08015	7.6
147.11684	15.3
149.09615	16.6
149.13264	22.1
157.10165	10.2
159.11688	38.1
161.13194	9.4
163.07593	8.5
163.11168	19.1
165.12769	5.0
167.07057	9.5
171.11732	7.9
173.13261	8.0
175.11168	8.4
177.12718	21.1
179.14325	10.3
183.11749	6.8
195.13869	11.6
227.12769	5.3
255.16020	29.1
257.19052	10.5
269.17471	75.8
275.20117	33.2
349.23779	59.7
363.70383	6.3
367.24506	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	564.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.8
55.05509	16.6
57.03441	15.3
57.07063	8.6
61.27594	6.4
67.05513	75.6
69.07074	23.3
71.31755	6.7
79.05497	54.0
81.07061	100.0
83.04997	8.1
83.08620	15.5
91.05483	34.4
93.07049	84.3
95.04947	5.8
95.08617	44.6
96.87441	4.9
97.06535	7.6
105.07035	21.3
107.08612	36.1
109.10160	11.7
110.27644	4.2
111.08096	4.6
117.07041	10.6
119.08570	24.7
121.10128	26.5
123.11729	7.3
131.08577	12.6
133.10144	15.7
135.11705	18.9
145.10130	5.9
147.11745	12.5
149.13275	41.9
149.83507	4.2
159.11740	17.6
161.13318	5.6
175.11232	14.8
177.12741	45.8
193.55115	5.4
195.13853	15.0
219.13795	38.0
241.12357	6.9
243.21223	4.8
261.22147	11.6
269.17496	93.8
269.20233	8.6
327.19559	11.8
335.25797	65.2
473.09415	4.5
529.38898	73.9
547.24817	5.3
562.64246	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	563.1554
Annotation	ent-Epiafzelechin-(4alpha->8)-epicatechin
Peak:m/z	Relative Intensity
53.03947	1.7
55.01871	3.5
56.37657	0.8
65.03952	1.5
67.05500	1.2
68.99792	5.9
69.69395	4.9
71.05009	0.8
77.03953	0.9
79.05495	2.2
81.03436	1.0
85.02903	1.7
91.05473	6.6
95.04973	4.3
97.02898	1.0
105.03426	1.2
105.04527	0.9
105.07043	2.0
107.04961	100.0
109.02884	1.4
111.00816	2.8
111.04438	2.7
115.05487	1.4
117.07045	1.2
119.04948	57.0
119.86639	0.8
121.02886	6.3
123.04436	35.4
127.03912	5.3
131.04968	0.8
133.02763	0.9
133.06500	7.1
135.04449	2.4
137.02306	1.2
137.05981	1.6
139.03909	40.1
141.01787	1.0
141.06993	1.3
145.06488	10.8
147.04413	54.1
149.02347	8.7
151.03909	13.9
155.06023	0.9
157.06534	4.9
159.08104	1.3
161.05977	5.8
163.03929	8.3
165.05511	9.2
165.06929	1.4
167.03407	18.3
169.06477	1.5
171.04411	11.2
171.05737	1.1
171.08025	1.1
175.03937	4.7
177.05511	3.4
179.03404	11.5
179.08838	0.8
181.05006	1.1
181.06506	2.5
183.08020	1.0
185.05911	4.3
187.04005	1.4
187.07550	3.7
189.05482	9.4
191.03389	14.2
193.04962	4.2
197.05997	2.3
199.07578	3.7
201.05515	3.9
203.03439	10.5
205.04961	3.0
207.06535	2.5
211.07559	1.0
213.05447	5.8
215.03484	1.3
215.07042	2.1
217.05070	1.6
227.07062	5.6
229.04948	5.8
231.06531	24.8
233.04462	7.8
239.07120	2.2
241.04991	1.0
243.06554	10.0
245.04523	8.7
245.08167	3.9
251.05400	1.7
255.06519	16.0
257.04504	13.6
257.07892	1.9
259.06094	1.7
267.06485	8.7
269.04474	2.8
271.06067	1.3
273.07574	24.2
275.05502	20.2
281.08005	1.7
285.07593	22.7
287.05502	31.5
291.08633	15.6
299.05481	5.0
303.08603	2.9
393.09702	22.2
395.11487	3.9
409.09042	7.9
411.10880	4.1
419.11246	1.1
427.10425	3.0
437.12567	1.0
439.10608	1.1
535.26367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00403	0.4
53.03941	0.7
67.05501	0.9
68.05029	3.5
69.03422	1.4
69.43250	4.0
70.06601	3.6
71.04988	1.1
79.05492	2.5
80.05003	0.7
81.00120	0.5
81.03435	0.8
81.05795	2.1
82.06594	2.6
83.04982	2.4
84.08163	1.0
85.02909	3.9
86.06055	0.5
88.03996	1.0
91.05494	0.7
94.06580	7.4
96.08139	33.3
97.02895	1.9
100.07632	0.8
102.79044	0.5
111.04469	2.0
112.06840	0.8
112.07614	16.2
112.08355	1.0
114.09180	100.0
115.09548	0.9
119.04980	0.6
123.04472	1.0
127.03913	0.7
130.08659	2.1
142.08653	12.5
147.04410	0.6
148.05179	0.6
149.05994	1.0
156.06502	0.5
158.08131	5.3
160.09709	17.8
164.08382	0.7
165.05518	0.8
167.07092	0.7
176.08327	0.9
177.05441	3.2
179.07166	0.7
181.08588	5.9
191.07062	0.7
192.07845	9.6
195.10081	1.0
202.68756	0.5
207.10175	0.9
223.09685	5.0
240.12270	1.3
241.10719	1.3
251.11031	0.5
258.13553	0.7
262.12961	0.6
268.11798	5.5
277.12225	0.6
279.45816	0.5
286.12909	9.6
302.12332	0.7
304.13943	19.4
322.14871	0.9
368.97827	0.6
526.22980	3.4
544.23932	42.4
545.24182	0.9
562.25122	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	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.9
54.88094	1.3
55.01904	1.7
55.05517	24.1
57.03442	2.6
57.07079	3.5
59.05031	1.6
65.03947	3.9
67.05507	81.7
67.80190	1.4
69.03432	3.4
69.07080	15.4
71.04996	57.8
71.57014	1.8
79.05499	65.5
81.03436	1.6
81.07060	100.0
83.04977	10.5
83.08617	11.8
85.06556	5.9
86.44154	1.4
91.04896	2.7
91.05483	62.8
93.07050	65.4
95.04983	9.4
95.08610	43.0
97.06535	9.2
97.10189	3.7
99.87071	1.4
105.04542	1.9
105.07037	36.5
106.99820	1.5
107.04942	1.6
107.08598	37.1
109.06530	2.6
109.10149	16.2
109.10704	1.5
111.08117	4.2
117.07034	9.0
119.08578	13.6
121.10154	27.3
123.11708	21.1
125.09635	3.7
129.07069	2.9
131.08569	20.2
133.10138	32.6
133.11089	2.4
135.11708	17.8
143.08603	2.5
145.10153	8.4
147.11711	7.3
149.13264	12.7
149.14410	1.7
151.11198	12.7
157.10167	3.3
157.31526	1.3
159.11705	17.0
161.13277	7.4
163.14857	2.0
165.12798	1.5
169.10132	1.5
171.11732	3.1
173.13341	4.0
175.14853	2.1
177.12799	4.0
183.13820	17.7
185.13231	1.5
187.13342	3.3
187.14848	2.0
195.13870	4.9
199.14952	1.6
227.16531	2.1
259.20630	1.7
261.22244	4.5
269.17627	5.1
283.18954	2.1
285.17117	4.2
340.58386	1.7
347.91251	1.4
361.27621	1.6
363.25540	2.3
368.22031	1.8
372.23865	1.9
437.34848	1.9
517.38965	23.8
529.38983	11.8
561.41589	73.6
562.41620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.01883	3.0
55.05516	23.5
57.03433	9.1
57.07060	2.9
61.73312	2.4
63.82944	2.6
66.14410	2.5
67.05179	4.8
67.05511	74.1
67.05875	3.8
69.07080	20.3
69.87537	2.8
71.04990	7.6
71.55977	4.8
79.05071	3.7
79.05500	58.3
81.03433	3.6
81.07061	70.3
83.04987	7.7
83.08634	15.1
89.13111	2.7
91.05475	37.0
93.07047	68.7
95.04977	8.5
95.08054	5.0
95.08613	70.6
97.02878	4.5
97.06530	4.9
97.10159	5.8
99.04427	4.6
105.07030	29.9
105.47044	2.7
107.04956	10.4
107.08604	56.3
109.06535	5.9
109.10162	22.5
111.08106	2.9
117.07042	20.2
119.08580	27.6
121.06517	7.1
121.10145	34.1
123.11674	7.7
125.06052	3.9
131.08572	14.4
133.10129	18.7
135.08160	3.4
135.11694	53.3
139.11348	2.9
143.08551	5.5
145.10138	35.8
147.11717	8.3
149.13264	9.6
153.12764	2.5
157.10062	4.7
159.11734	9.7
161.13277	7.5
163.11185	62.5
163.14812	3.8
173.13260	6.9
181.12253	12.7
187.14845	3.2
193.12305	3.0
209.11716	4.4
227.12799	100.0
243.21118	5.8
259.20551	3.5
261.22144	23.5
277.21738	3.1
283.15411	45.8
317.24771	10.7
335.25830	56.8
407.11935	3.4
469.33173	3.0
543.29315	3.3
543.36816	37.5
561.38416	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76592	0.4
64.12865	0.5
65.27364	0.4
69.58726	2.2
69.59139	0.8
91.05421	0.4
148.01004	0.4
177.06993	2.9
178.51764	0.5
179.08606	0.6
189.07050	0.7
191.08485	0.6
194.07315	2.6
205.04582	0.7
205.06511	14.4
206.07220	0.7
207.08086	1.2
219.08034	1.1
222.06775	5.4
223.07581	0.7
224.08310	0.7
224.60411	0.4
233.05995	14.3
234.06781	1.3
235.07527	5.9
236.08226	0.4
237.09122	21.2
247.07596	0.6
250.06248	2.6
251.07080	0.8
252.07799	1.9
263.07047	4.8
264.07819	3.9
265.08621	50.2
266.08936	0.8
267.10220	1.0
280.07358	2.4
295.09671	100.0
296.09970	2.1
312.12326	27.6
385.79697	0.4
555.08984	0.5
560.27295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.0
67.05503	6.0
69.03448	6.0
69.07092	4.1
71.04993	6.8
71.54930	4.0
79.05505	10.1
81.03410	2.8
81.07063	6.7
83.04987	2.9
85.02920	6.8
91.05480	21.1
93.07066	12.0
95.04972	7.3
95.08606	5.8
99.04485	4.2
100.05251	3.0
103.05457	3.0
105.07032	23.0
107.04932	3.0
107.08601	7.5
111.04470	2.7
115.05474	3.3
117.07046	13.9
118.07787	4.8
119.08607	26.4
121.06534	5.9
128.06242	5.4
129.07011	15.5
131.08565	24.8
133.06499	5.5
133.10149	6.1
135.08101	7.5
141.07008	10.7
142.07791	9.8
143.08554	21.5
145.06499	7.4
145.10138	39.1
146.07249	3.4
147.04417	4.0
147.08051	10.2
147.11728	5.1
149.05966	2.3
149.09618	3.0
153.07039	6.7
154.07809	9.5
155.08572	10.7
156.09322	4.3
157.10133	38.0
159.08066	17.5
159.11700	20.9
161.09642	5.5
164.08353	20.2
165.09158	8.9
167.07289	3.5
167.08496	12.3
168.09341	12.4
169.10127	42.9
171.08032	9.1
171.11734	7.7
172.08803	3.3
173.05977	5.2
173.09662	15.4
173.13332	4.6
175.07573	4.0
175.11256	3.4
179.08644	2.9
181.10179	7.2
183.11725	32.9
185.09610	21.7
185.13246	4.2
187.07607	3.1
187.11182	47.2
188.11855	3.4
189.09151	5.0
193.08609	2.8
193.10214	8.4
195.08022	3.7
197.09674	6.6
199.11203	10.1
201.09154	2.6
201.12737	5.0
203.10760	8.1
205.12253	20.9
211.11177	36.8
213.09131	10.5
215.10674	37.1
217.12213	3.6
227.10730	9.2
229.12268	50.1
231.10158	12.2
233.11763	27.7
245.11668	13.2
246.12498	4.2
247.13243	3.9
249.11188	21.8
251.12807	100.0
252.13303	3.3
252.15996	3.2
263.12878	3.8
264.13589	11.7
266.13870	24.8
268.15463	93.1
396.00491	2.5
525.24054	2.5
540.56177	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.5
55.05516	30.5
57.03441	15.1
57.07082	4.4
59.20901	2.5
65.03945	3.9
66.42097	2.2
67.05505	93.2
68.83324	2.3
69.03408	3.5
69.07073	23.5
71.04987	6.2
74.09721	6.2
75.43748	2.6
75.79687	2.2
79.05496	100.0
81.03412	5.7
81.07063	94.7
83.04975	12.8
83.08609	14.2
85.06560	3.0
87.75883	2.5
91.05482	74.4
93.07045	91.5
93.46236	2.4
95.04958	21.4
95.08609	60.8
95.80922	3.1
97.06532	6.1
97.10144	6.3
98.20998	14.6
105.04574	4.3
105.07036	55.5
107.04946	11.5
107.08585	40.2
109.06526	8.2
109.10149	18.0
111.08112	3.8
117.07018	18.5
119.08574	40.6
120.99219	2.7
121.06503	4.6
121.10160	22.6
123.08065	5.2
123.11737	6.5
125.09709	2.9
129.07024	24.0
131.08560	19.6
131.59827	2.4
131.92152	2.7
133.10149	23.3
135.11702	14.4
143.08586	15.4
145.10123	18.0
147.08014	3.3
147.11697	35.7
149.13252	6.8
155.08569	4.2
157.10117	4.6
159.11705	10.0
161.09648	3.3
161.13251	14.1
163.14861	3.2
171.11710	26.9
173.13280	5.7
185.13275	3.2
187.14812	5.2
189.12766	8.3
199.14879	3.4
207.13792	23.6
213.16335	3.8
256.26477	4.4
261.22211	10.9
279.16022	4.5
281.17477	30.4
317.24890	3.5
335.25800	57.5
402.17184	2.6
443.57117	2.6
449.33936	3.4
506.45172	3.0
541.39001	77.7
559.39368	13.7
584.98413	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68334	5.1
53.03952	12.1
55.05515	28.6
55.14381	4.7
57.03418	14.2
57.07075	8.0
58.46395	4.0
67.05510	100.0
69.07064	22.4
71.56559	7.0
79.05501	91.1
81.03429	10.6
81.07066	77.1
83.04969	15.3
83.08629	13.5
85.07668	7.9
91.05484	73.3
93.07047	96.7
95.04983	22.3
95.08607	63.7
97.06554	5.7
97.10168	7.7
105.07039	59.6
107.04964	8.6
107.08601	34.0
109.06503	7.1
109.10163	21.1
117.07041	19.4
119.08586	30.2
121.06479	4.6
121.10162	19.6
123.11629	6.7
129.07014	18.3
131.08569	18.5
133.10124	17.6
134.91739	4.8
135.11705	16.7
145.10150	14.9
147.11670	40.5
149.13264	11.1
159.11746	12.3
161.13258	20.4
171.11685	21.1
173.13260	6.8
175.14923	5.1
177.12683	5.6
178.13734	4.8
189.12779	5.3
207.13808	28.8
261.22180	15.7
281.17453	32.9
335.25861	59.5
341.40210	4.5
347.26126	5.0
445.38562	5.0
541.38770	64.4
559.39331	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	11.4
55.01864	4.1
55.05518	25.0
57.03429	9.7
57.07058	3.3
57.32175	2.2
65.03947	3.0
67.05507	100.0
67.73853	2.3
69.03413	2.7
69.07075	19.1
69.91599	9.7
71.04982	3.0
74.09704	6.6
79.05496	83.3
80.44301	2.4
81.03400	7.7
81.06588	4.0
81.07060	86.5
83.04975	13.2
83.08640	13.0
91.05486	67.8
93.07043	86.6
95.04987	17.2
95.08612	62.1
97.06515	6.3
97.10155	4.3
97.30688	2.1
98.21480	4.2
99.08092	3.0
103.05431	3.0
105.06387	3.9
105.07032	52.2
107.04951	4.7
107.08601	39.8
109.06510	7.6
109.10152	16.1
112.97341	2.3
115.05476	4.0
117.07014	17.6
119.08579	33.9
121.06437	2.4
121.10140	17.4
123.08054	9.0
123.11664	3.8
128.06230	3.0
129.07021	18.0
131.08572	13.8
133.10109	16.8
135.11726	13.1
136.68433	2.4
141.07011	2.3
143.08539	12.9
145.10124	18.5
147.08046	3.7
147.11697	35.1
149.13258	8.6
155.08453	2.4
157.10114	5.2
159.11662	10.6
161.13266	17.2
167.08618	2.5
169.10109	4.1
171.11729	21.9
173.13242	6.6
185.13309	3.7
187.14824	2.7
189.12730	8.9
207.13762	26.0
261.22159	13.9
279.15884	6.4
281.17465	30.2
317.24918	3.0
335.25781	59.0
449.34171	4.5
541.38977	72.0
542.39301	3.0
559.39307	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	559.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.0
61.49423	0.7
71.09180	1.3
73.02910	2.9
85.02906	1.6
91.05470	1.3
107.05024	1.1
109.02869	0.9
115.05444	1.6
117.06992	1.0
118.06555	18.7
123.04417	4.3
130.06517	1.5
132.08069	5.6
139.03909	2.1
142.06532	1.4
143.07327	2.2
144.08083	12.0
146.06020	61.6
159.09160	6.6
163.03900	2.1
170.06021	4.4
187.03967	1.4
188.07077	100.0
205.09740	39.1
205.11696	1.7
234.99077	1.1
243.64610	0.9
257.04761	0.8
271.05838	1.2
273.79800	0.9
301.04019	1.1
311.05273	0.9
407.07404	2.3
409.08377	1.5
541.11493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29028	2.4
54.09039	2.6
55.01872	3.4
57.03436	3.9
64.47196	2.7
69.03442	14.2
71.57729	3.8
79.05500	4.5
81.03423	6.8
85.02907	23.0
86.54673	2.6
86.72242	2.9
91.05498	17.3
92.16547	2.9
95.04990	4.1
95.08598	4.4
97.02880	4.4
98.49739	2.5
103.05447	16.1
105.07051	18.2
107.04984	27.4
107.08621	3.1
109.02894	4.8
109.06534	3.4
112.56483	2.5
114.09174	4.0
115.05430	8.6
119.04961	12.5
121.06499	9.4
122.03640	3.3
127.03942	9.9
129.07019	7.4
131.04922	18.3
133.02855	11.6
133.06502	19.2
135.04436	5.4
135.08025	8.7
135.38062	2.7
137.05988	100.0
145.04980	4.1
147.04411	15.5
149.06012	21.7
150.06750	3.3
151.07565	36.8
157.06570	4.3
160.09673	3.4
161.05989	82.4
161.09613	19.8
162.06770	8.1
163.07541	62.2
165.05496	2.9
165.07010	2.9
165.09123	7.3
167.07076	7.5
175.07614	13.6
177.05507	6.3
177.09145	6.7
179.07025	19.8
181.08627	16.9
187.07535	2.7
189.09128	46.5
191.07079	5.7
193.08655	4.8
195.08124	5.7
203.07054	3.4
207.10179	90.0
219.10281	4.3
225.09137	4.4
227.07085	3.5
227.10742	7.5
229.08478	3.0
249.11374	4.0
253.08557	3.5
255.10156	3.1
273.11230	6.2
287.12784	12.0
291.12296	11.4
299.12842	4.9
313.14377	11.1
331.15421	45.0
343.15396	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01855	1.8
55.05515	22.4
57.03426	6.2
57.07069	4.8
57.19381	2.0
57.95102	1.6
65.03955	1.9
67.05171	3.0
67.05505	44.2
69.07069	17.8
69.32863	3.5
69.33261	11.3
71.04984	2.2
71.08604	2.1
74.09691	1.6
79.05061	3.1
79.05496	36.1
81.03401	3.2
81.07057	43.1
83.04976	5.5
83.08619	10.4
85.06536	3.2
91.05481	40.1
93.07044	38.5
95.04989	9.6
95.08602	30.6
97.06540	3.8
97.10165	6.3
98.98479	1.7
99.08067	2.4
105.07039	35.6
107.04973	5.7
107.08609	18.0
109.06548	3.4
109.10148	8.8
111.08109	2.5
115.05436	2.6
117.07008	17.3
119.08591	27.7
121.06525	3.3
121.10143	11.7
123.08063	4.4
123.11723	2.6
123.15452	1.4
125.09599	2.1
128.06215	6.0
129.07010	19.3
130.21301	1.4
131.08577	32.0
133.06470	1.6
133.10149	18.5
135.08090	3.8
135.11714	11.1
141.06995	8.4
142.07776	4.3
143.08565	29.1
145.06519	1.9
145.10138	24.9
147.08090	2.6
147.11705	18.0
149.09651	4.4
149.13292	5.7
151.09387	1.4
153.06944	2.4
154.07741	2.6
155.01155	1.9
155.08548	20.6
156.09343	3.5
157.10141	21.5
159.07974	2.1
159.11673	19.0
159.94090	1.6
160.11969	1.7
161.09641	2.9
161.13257	9.4
163.11224	2.7
163.91307	1.5
167.08559	8.7
167.45830	1.6
168.09331	2.2
169.10152	19.6
170.11005	2.3
171.11681	23.1
173.09671	2.0
173.13228	10.9
175.11217	3.1
175.14804	5.3
181.10124	13.1
182.10895	2.5
183.11676	17.1
185.09607	2.6
185.13280	14.1
187.11182	2.9
187.14833	6.7
189.12836	4.0
193.10133	4.4
195.11716	11.2
197.13252	16.6
199.11264	2.1
199.14816	7.4
201.16394	3.1
207.11740	2.4
207.13803	3.7
209.13242	10.1
211.11188	2.4
211.14850	10.4
213.16383	10.9
221.13217	2.3
223.14862	7.9
225.16362	4.6
235.14787	4.1
237.16322	3.7
241.19600	6.2
247.16953	3.9
251.17947	1.7
257.19067	3.1
259.20673	13.3
271.20798	1.5
277.21683	1.8
279.15906	2.9
281.17361	8.6
293.18802	2.1
295.20673	2.1
313.21777	2.7
321.21979	3.5
323.23526	3.1
325.21640	2.3
333.24246	4.6
339.23148	2.3
341.24899	1.9
349.25342	1.9
353.24741	2.5
363.26770	2.1
367.26260	2.2
419.33026	3.5
429.31570	4.3
437.33939	13.7
447.32541	23.0
465.33560	26.3
483.34790	16.1
501.35776	2.5
503.34995	4.1
521.36267	8.4
527.37128	2.1
529.38757	5.7
539.37305	100.0
557.29822	3.4
557.38354	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	10.1
57.03437	5.5
57.07079	30.5
58.06585	2.0
59.32505	1.5
67.05504	11.5
68.99856	1.5
69.07078	8.8
70.06588	12.0
71.08636	20.6
71.45780	3.5
79.05501	12.3
81.03373	1.8
81.07063	14.8
83.04999	2.5
83.08618	7.3
85.10197	8.7
86.09725	3.1
87.04475	2.1
88.07633	6.5
89.06055	12.6
91.05471	3.3
93.07041	16.7
95.04958	3.1
95.08609	29.1
97.06544	2.4
97.10159	4.4
101.46625	1.6
102.09207	3.5
105.07050	4.1
107.04959	2.2
107.08612	15.0
109.10178	6.1
117.07030	3.2
119.08593	4.8
121.06504	2.9
121.10175	7.9
123.11704	2.3
123.25553	1.5
132.10216	5.8
133.08621	7.2
133.10136	1.8
135.11696	19.1
143.08447	1.7
145.10144	14.2
146.11786	7.1
157.10172	2.0
163.11168	23.5
177.11269	2.8
181.12224	4.0
193.26599	1.5
210.06316	1.4
212.23628	2.2
227.12798	31.6
238.25215	2.0
248.26433	1.6
256.26358	10.3
272.25967	2.2
277.96249	1.8
283.15408	31.5
283.26334	47.9
300.28961	26.5
311.29434	3.8
313.27386	45.5
318.30249	2.9
371.22983	3.9
521.38416	37.0
556.53033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18768	1.3
58.99865	1.9
63.42570	1.2
63.87895	1.3
64.68531	1.6
69.03430	2.5
71.54949	1.8
73.76623	1.3
75.18621	1.6
77.00914	2.5
82.99878	2.9
85.02908	4.2
97.02908	2.0
101.00879	30.0
101.01495	2.5
103.02441	2.1
105.00416	1.4
109.02886	3.6
113.00893	4.5
115.02460	1.9
119.01929	73.9
127.02451	8.9
127.03909	2.3
129.04012	1.4
131.01904	27.8
133.03452	3.2
135.05072	3.1
137.02939	8.9
141.03989	4.5
143.01906	35.8
145.03471	73.8
147.01414	4.1
147.04996	2.1
149.02968	2.6
155.01904	28.2
156.82237	1.6
157.03477	12.5
159.05040	24.8
161.02971	48.5
163.04541	14.8
167.01924	13.3
169.03473	57.8
171.01346	6.7
171.05052	16.6
173.02974	37.2
173.06615	1.8
175.04544	4.4
178.23453	1.4
179.01918	4.0
181.03476	11.4
183.05029	3.6
184.04510	1.5
185.02975	63.1
187.04535	94.9
189.02457	18.3
189.06104	5.5
191.04004	2.3
195.01364	2.1
197.02939	20.7
197.06752	1.7
199.04553	19.6
201.02428	1.6
201.06158	4.4
203.03999	21.2
205.05524	2.3
207.03545	4.7
209.03009	1.8
210.05998	1.6
211.04533	19.3
213.02455	20.3
213.06062	3.2
215.00467	3.4
215.04019	13.2
219.03641	1.6
221.05101	6.3
223.04643	5.1
225.02505	5.0
227.03915	8.1
229.05569	8.2
231.03520	30.5
231.06934	1.6
233.01436	2.5
233.04793	1.6
237.02522	1.7
239.03969	1.6
241.05525	3.4
243.03531	5.7
245.05096	100.0
246.05482	2.5
255.03476	3.6
257.01447	6.2
257.05118	6.3
258.75769	1.6
263.06192	13.8
271.06628	20.2
273.04532	4.2
275.02518	73.5
275.06085	13.6
276.02612	1.5
285.04291	1.5
287.02515	25.7
287.05707	2.7
289.07675	2.8
291.05646	2.1
293.03552	20.4
293.07190	7.8
305.03546	24.1
305.07181	12.4
315.05634	8.4
316.05563	2.3
317.03607	4.6
317.25201	1.7
329.37027	1.8
333.06616	5.3
334.06354	1.5
335.04639	30.9
335.08310	4.5
341.03558	8.4
347.08249	2.3
359.04596	27.0
365.09198	9.2
377.05643	57.5
378.05832	1.6
395.06744	82.0
396.07239	2.0
467.07870	1.9
521.09363	1.6
539.10638	8.4
555.77600	1.6
557.11896	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	556.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06335	0.4
53.67408	0.5
69.56146	3.2
98.20719	0.5
101.03886	0.5
103.97762	0.5
119.08567	0.7
129.06978	0.5
130.99014	0.4
135.07990	0.5
143.08545	0.6
143.70477	0.5
145.10158	0.6
157.10100	0.6
159.08060	0.6
165.06999	1.1
167.08601	0.9
169.05119	0.5
169.10109	0.6
173.09656	1.7
175.11156	0.7
176.06290	0.6
177.07014	7.7
178.07803	1.1
179.08560	2.0
183.08154	0.6
185.09538	0.8
189.07019	1.8
190.07719	0.6
191.08566	1.5
194.07289	3.9
199.11124	0.9
201.12665	0.8
204.05782	0.5
205.06505	25.3
206.07198	1.4
207.08128	3.4
209.09535	1.1
217.06491	1.1
219.08113	1.0
221.05934	1.3
222.06763	11.3
222.91385	0.5
224.08478	0.8
227.10689	0.6
228.13942	0.9
233.05998	19.2
234.06699	1.9
235.07559	11.3
236.08136	0.5
237.09123	32.0
239.10529	0.6
245.11781	1.2
250.06320	3.9
251.07112	1.6
252.07800	2.4
263.07065	7.4
264.07846	5.0
265.08615	67.7
266.08890	0.8
267.09979	0.5
274.14352	1.2
277.08630	1.7
279.06494	0.9
280.07297	4.2
293.08093	0.8
295.09674	100.0
296.10013	1.4
307.09714	0.7
324.12259	6.0
325.17371	0.5
480.73715	0.5
556.23291	37.7
557.23529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56200	5.4
55.05527	33.6
57.03429	4.9
62.60291	4.6
65.03948	4.7
67.05500	11.7
69.03433	8.9
69.07072	25.6
71.04970	7.1
71.08194	9.6
71.08574	4.5
79.05490	11.9
81.03371	5.3
81.07061	42.7
85.02903	10.1
91.05496	16.1
93.07040	14.7
95.04965	7.1
95.08608	38.8
97.02900	6.5
97.06548	7.7
97.10173	100.0
99.05567	5.9
105.07048	13.1
107.08595	16.9
109.02917	5.4
109.06537	9.6
109.10139	21.4
114.09151	6.0
119.08594	14.2
121.06512	5.9
121.10161	8.7
123.11716	23.8
124.07591	40.3
125.09631	20.5
127.03923	20.7
131.04881	5.6
133.10172	9.6
135.08102	4.8
135.11678	5.8
137.05983	18.0
138.09067	5.1
143.10707	31.0
145.10115	5.7
147.04428	13.8
147.11740	6.6
149.13260	8.4
151.14857	10.2
159.11713	5.3
161.09752	4.8
166.08620	18.9
167.07053	15.7
173.13426	4.8
181.04979	11.4
184.09731	10.3
189.11250	14.9
219.10153	4.9
265.07843	5.1
285.13724	6.0
285.63681	6.1
292.11887	11.7
293.08069	9.9
300.88892	5.0
303.23169	13.7
306.72147	5.4
309.24332	10.1
310.12808	17.1
321.24307	56.1
324.12393	5.8
328.13889	6.7
339.25296	50.2
554.23505	11.0
554.37103	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	555.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54105	1.5
55.01873	3.6
55.05514	7.2
57.07071	4.0
59.04984	2.2
61.02928	2.6
62.69038	1.8
67.05511	9.2
69.03432	10.0
69.07074	10.8
69.56711	13.1
70.06609	3.8
71.05001	3.8
79.05488	7.7
81.03403	4.9
81.07063	25.9
83.08627	8.1
84.08139	2.6
85.02918	27.3
85.06526	10.2
91.05460	4.4
93.07046	15.8
95.08611	43.7
95.77347	2.0
96.08078	1.9
97.02918	9.1
97.06516	2.0
97.10172	4.4
99.08121	3.9
100.07681	2.0
105.07012	3.1
107.04951	4.0
107.08596	30.9
109.02908	5.8
109.10164	17.5
111.04507	2.3
111.08090	2.4
111.11663	1.8
118.77434	2.1
121.10153	45.6
123.04407	2.2
123.11734	8.3
127.03917	6.9
131.05017	1.7
135.11714	13.8
137.05994	4.0
137.13277	5.7
139.11172	2.7
143.04945	4.5
145.04987	4.7
149.13268	3.6
163.06100	2.9
164.07080	8.1
165.16400	5.3
167.07028	2.0
175.07559	2.0
177.05583	1.8
177.16399	100.0
178.08621	6.0
178.16739	3.9
183.17473	7.4
188.49887	2.1
192.10226	3.2
195.17473	53.6
197.75085	1.7
213.18544	23.8
214.93683	1.8
215.06987	2.1
231.19577	66.2
242.75200	2.0
252.11697	2.1
274.05862	2.1
285.13666	2.2
327.19067	2.1
394.16519	7.8
555.25031	13.2
556.21887	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	555.3013
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
54.60246	2.4
55.05507	7.6
57.07059	3.4
58.12928	2.0
58.17339	2.4
67.05495	5.9
69.03411	4.4
69.07060	12.0
69.76345	14.1
71.04996	4.5
79.05494	6.2
81.07064	26.5
83.08614	7.8
85.02898	20.8
85.06526	8.1
87.84235	2.8
92.79862	2.6
93.07057	17.6
95.08617	47.6
97.02902	3.5
97.10175	7.4
98.21443	5.1
99.08077	5.3
99.79856	2.3
107.08605	30.5
109.10171	17.2
111.08037	3.6
121.10162	36.3
123.11709	6.9
127.03965	4.9
135.11713	11.4
137.13257	5.4
139.11166	4.0
141.60748	3.1
145.04872	4.0
150.35374	2.6
163.06065	4.5
165.16281	4.9
177.16400	100.0
183.17445	9.2
195.17465	52.7
213.18524	26.2
231.19580	82.4
284.10001	6.3
333.56555	2.6
422.95023	2.7
435.35092	2.6
555.22443	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	552.4029
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
56.05029	1.3
57.07076	3.6
58.06590	1.0
59.74828	0.4
60.08167	16.7
67.05505	0.8
68.70370	0.4
69.07062	1.7
70.06595	0.7
71.07378	6.1
71.08623	1.6
71.56293	0.6
71.56666	0.4
74.09702	0.6
81.07063	2.3
83.08640	0.6
85.10184	1.2
86.09709	46.4
93.07046	0.7
95.08607	2.6
98.98460	3.3
104.10749	100.0
105.07050	0.6
107.94947	0.5
108.61434	0.5
109.10174	1.0
119.08575	1.2
121.10126	0.8
123.11674	0.7
125.00008	25.8
131.79576	0.4
133.10130	0.5
143.01053	0.5
184.07352	97.7
204.84921	0.5
258.11050	2.1
295.49957	0.4
341.97238	0.4
369.33594	1.3
464.03531	0.5
534.39185	7.3
552.40289	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	554.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30154	2.8
57.03433	12.5
70.07065	9.9
71.05003	74.0
73.02923	5.2
75.04490	4.0
81.07057	4.0
83.04984	5.1
85.02913	100.0
91.05490	90.1
92.16772	3.2
97.02898	4.8
107.04983	4.7
119.04953	4.7
121.06516	8.4
122.76404	2.8
127.03892	4.2
129.05478	43.5
131.08638	3.1
147.04413	2.8
147.06531	23.4
159.08028	4.3
159.70766	3.0
161.06017	4.6
167.07056	8.8
175.03894	4.4
176.33229	3.1
191.07033	5.3
192.07805	6.9
202.82530	3.3
237.11230	3.4
252.59634	3.0
257.17728	3.0
285.13501	3.6
285.63657	6.6
469.05179	3.1
554.27185	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	554.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03432	0.4
59.34202	0.3
60.99296	0.3
61.02919	0.4
65.43560	0.3
69.03425	1.2
71.56921	0.5
79.05500	0.5
79.61401	0.3
81.03424	1.2
81.07031	0.6
85.02916	2.9
91.05473	1.0
94.04184	1.3
96.47582	0.3
97.02881	1.2
101.20692	0.3
103.05473	1.3
104.07131	0.4
105.07056	0.4
107.04941	0.6
109.10177	0.6
119.08572	0.6
122.03629	3.5
127.03967	0.5
131.04945	2.7
133.06528	0.5
137.05980	100.0
138.06281	0.6
145.06548	0.4
149.02316	0.7
151.07552	0.9
163.07533	4.3
175.07579	1.1
181.08603	9.8
187.07462	0.3
195.10141	0.3
203.91685	0.3
209.08128	0.7
229.08684	0.4
281.08289	0.4
336.51685	0.4
356.28232	0.4
357.61127	0.4
374.29138	0.8
501.18900	0.6
544.77429	0.4
544.85907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06966	1.1
53.03955	1.1
55.05521	8.2
57.03426	2.8
57.07064	2.0
58.60101	1.2
59.04990	1.2
61.02917	3.8
64.02052	1.2
67.05514	6.3
69.03424	5.8
69.07082	12.5
70.06583	1.6
70.23053	4.2
70.94486	1.1
71.04988	4.6
71.92247	1.3
74.39738	1.2
79.05505	7.1
81.03413	3.7
81.07060	19.1
83.05001	1.4
83.08622	6.1
85.02427	2.0
85.02907	23.7
85.06545	8.1
91.03973	1.2
91.05469	3.8
93.07048	17.9
95.04952	3.3
95.08059	2.4
95.08621	33.8
97.02869	7.0
97.06497	1.9
97.10177	3.5
99.08077	4.7
103.95320	1.3
105.07022	4.3
107.08607	22.9
109.02876	2.4
109.10170	8.2
111.08080	1.7
113.09608	6.1
115.05433	1.5
119.08601	2.6
121.06499	3.1
121.10153	42.2
123.04459	2.7
123.11724	1.7
125.09563	2.7
127.03925	8.4
131.04898	1.4
135.11739	6.0
137.06017	2.7
137.13246	5.1
139.11179	1.8
143.04907	3.4
145.04962	11.3
145.06114	1.5
145.06470	1.4
149.13342	2.8
157.10146	1.5
163.05986	4.2
167.07034	2.0
175.07588	3.2
177.05603	1.2
177.16408	100.0
178.08650	2.2
178.16794	1.6
195.17471	32.6
213.09131	5.0
282.12598	1.4
283.91071	1.1
285.13440	1.8
285.63602	2.2
288.50595	1.4
375.16345	1.4
392.18460	9.3
415.61771	1.3
420.57141	1.6
423.80124	1.3
554.23834	12.4
573.28351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88650	3.9
53.03939	7.0
55.01875	4.7
55.05516	55.4
57.03423	4.3
57.07072	6.5
67.05503	22.2
69.03416	17.1
69.07071	66.6
70.22568	11.2
70.22958	9.3
71.04984	20.4
79.05502	29.0
81.03430	28.2
81.07066	96.1
83.04979	12.5
83.08605	11.9
85.02901	20.4
85.06549	5.4
87.32566	5.0
91.05492	25.7
93.07049	93.1
95.04972	14.3
95.08614	74.2
97.02875	5.2
97.06535	13.3
97.10175	99.9
99.04450	4.9
99.08056	5.3
105.07040	30.3
107.04980	8.3
107.08607	64.8
109.06516	10.7
109.10155	53.7
111.08121	5.4
111.11725	15.3
115.05439	6.8
117.06993	15.6
119.08575	35.3
121.06523	21.8
121.09309	7.1
121.10153	100.0
123.04362	4.9
123.08073	9.4
123.11710	23.7
125.09630	28.1
131.08568	9.2
131.51494	4.1
132.05853	4.3
133.10141	29.0
135.08047	5.8
135.11697	41.0
137.05983	6.3
137.09595	15.9
139.11197	36.9
143.08574	4.8
143.10686	19.1
144.09102	4.7
145.06436	12.7
145.10133	27.7
147.11673	16.5
149.09711	10.6
149.13255	20.8
151.07520	7.2
151.11160	9.7
153.12740	5.6
157.10109	8.7
157.12212	13.0
159.11693	17.0
161.09669	6.9
161.13278	10.3
162.06641	5.0
163.11194	26.6
163.14734	5.4
165.09117	5.3
165.12726	6.4
167.07062	56.6
173.06001	10.7
173.13245	9.2
175.11243	10.3
175.14775	7.3
177.12758	13.4
181.04973	9.8
181.12198	21.9
185.13304	4.8
187.13260	5.3
189.11240	9.0
190.06210	9.8
199.13177	5.9
203.12708	6.7
205.08598	9.2
217.08612	14.0
235.09715	15.0
247.20337	5.0
257.18988	5.4
273.22250	8.2
275.20078	12.3
285.13586	7.6
291.23148	21.9
293.21118	72.6
301.21658	55.3
307.22662	16.7
319.22675	77.1
325.23697	17.0
337.23782	79.2
355.24982	7.8
371.14948	6.3
508.66190	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	552.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
54.56382	0.4
55.01855	0.5
59.15903	0.5
65.03939	0.6
65.46107	0.6
70.57791	0.4
70.78898	0.9
70.79234	1.1
71.17905	0.5
71.60112	0.4
77.03922	0.5
78.04718	0.6
79.05495	5.8
81.03418	1.8
81.07061	0.9
85.02911	0.7
85.53709	0.5
91.05483	10.1
93.06464	1.0
93.07046	13.1
95.04957	4.1
103.04798	0.6
103.05478	10.4
105.04492	1.5
105.07030	0.7
106.04168	0.5
107.04961	11.8
107.08624	0.6
115.05439	5.9
116.06171	0.5
117.07008	7.7
118.04119	1.1
118.97872	0.5
119.04932	1.3
119.08544	0.7
120.05756	0.6
121.06509	70.4
122.03689	0.7
123.04432	1.5
124.05195	2.0
125.06000	0.8
128.06207	0.6
129.07011	0.8
130.04176	1.0
131.04930	1.6
132.05731	4.5
137.05997	2.8
138.09119	3.1
140.04703	0.9
143.04921	1.4
144.05707	1.4
145.06485	14.6
147.04459	1.2
147.08044	0.5
149.05965	0.8
152.04665	1.5
155.06058	2.2
156.05667	1.5
157.06529	0.9
160.05202	6.6
161.05972	1.3
163.63609	0.5
164.07040	2.1
167.07045	32.1
170.03610	1.4
170.84949	0.5
171.04385	1.9
172.05121	1.3
173.05984	15.1
173.07495	0.7
174.06758	0.9
175.03876	1.6
175.07549	2.0
176.04634	0.5
177.05516	1.2
181.04997	0.5
187.07481	0.5
188.04695	3.2
190.06248	18.7
191.07053	1.9
192.04185	1.9
198.03098	2.8
200.04747	0.8
201.05434	0.8
202.06189	1.2
203.07027	1.8
205.08603	7.7
207.06528	1.4
216.04198	4.3
217.08598	3.9
219.08224	0.6
220.03691	2.2
221.07976	1.2
222.11287	1.2
228.04291	0.7
231.06520	100.0
232.06967	1.1
233.05977	0.6
234.06795	0.7
235.07524	0.9
235.09702	0.7
245.06831	0.6
247.07462	0.7
248.08629	1.5
249.09079	0.6
260.09247	1.3
261.07568	3.6
262.06253	0.8
263.07010	0.7
264.07800	1.4
265.08548	0.6
275.07089	0.7
276.07922	1.2
277.08560	1.5
279.06564	0.7
279.10123	0.5
290.19073	0.5
304.07141	0.6
307.06082	0.9
307.09503	1.0
309.07538	0.6
331.11639	1.1
337.10522	0.9
343.11758	1.7
346.69202	0.6
356.12595	0.7
365.10071	3.0
368.14932	80.4
369.13174	2.9
371.14694	1.4
380.14951	4.2
397.12982	3.1
415.13840	5.6
534.21002	4.8
546.17468	0.5
552.22260	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	552.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68105	0.7
51.02375	0.8
53.03942	2.5
55.05521	0.9
55.15406	0.6
60.25249	0.6
63.71910	0.7
67.05493	0.8
69.29426	1.9
69.29844	4.0
78.04704	1.9
79.05511	4.9
81.03421	50.1
81.07058	1.1
85.02910	2.1
91.05491	6.0
91.97309	0.7
93.07055	5.6
95.04966	2.8
102.04662	0.7
102.70605	0.7
103.05462	6.7
105.04514	0.8
105.07034	3.0
106.04169	1.1
107.04953	5.5
109.06554	0.7
110.03678	0.9
115.05449	9.0
117.07015	10.7
118.04128	1.3
119.04984	1.4
119.08623	1.1
121.06512	28.4
123.04431	5.8
124.05222	2.6
125.06043	0.8
128.06203	0.9
129.06938	1.5
130.04182	1.5
131.04936	3.6
132.05711	1.2
133.06483	1.8
133.10085	0.7
137.05980	2.1
140.04712	0.8
143.04944	0.8
145.06491	21.2
147.04370	1.7
147.08092	1.9
151.03929	1.0
152.04704	2.3
153.05482	1.8
155.04918	1.1
155.05978	4.2
155.07153	0.9
156.05704	5.4
157.06575	1.2
160.05211	1.6
161.05978	3.1
164.07104	4.0
167.07048	100.0
172.05305	1.0
173.05994	26.5
174.06656	1.7
175.03917	1.9
175.07590	2.2
176.04654	1.7
179.06992	0.7
181.04926	4.7
184.05193	2.6
187.03937	0.7
189.05432	0.9
190.06253	14.9
191.07031	11.1
192.07809	1.8
193.08594	2.1
201.05424	3.4
202.06245	3.3
203.07040	1.2
205.07066	0.6
205.08606	22.5
207.10187	2.5
217.08612	24.1
219.08057	1.5
221.06090	0.9
231.06487	3.5
233.08026	2.9
235.07759	1.1
235.09657	28.2
236.08054	0.9
247.07605	1.4
248.08516	1.0
253.08514	0.8
263.07510	0.8
264.07822	2.6
265.08609	1.1
279.07153	0.9
279.10187	2.7
281.08105	1.2
292.43582	0.7
293.08057	1.4
307.09613	2.6
309.07803	1.4
319.11890	4.5
331.11685	0.9
339.12234	1.8
344.12595	1.0
356.12668	1.1
368.14917	4.6
369.13269	1.4
370.16727	4.4
371.14917	9.0
385.12570	0.8
398.15878	4.6
415.13699	1.2
522.21606	0.8
534.21277	1.0
538.23578	0.7
552.22345	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	552.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.9
53.03946	3.5
55.05507	1.9
67.05488	0.7
69.80139	2.7
69.80561	1.0
78.04723	2.1
78.84908	0.6
79.05484	2.9
81.03423	49.2
81.07006	0.9
85.02900	0.9
91.05077	0.6
91.05503	6.6
93.07063	4.3
95.04967	3.8
95.08491	0.7
98.21617	0.6
100.11264	4.8
102.03766	0.6
102.04617	0.6
103.05486	7.6
105.07018	3.0
106.04147	1.7
107.04969	6.5
109.02911	0.8
111.04463	1.5
115.05466	8.2
117.07030	12.0
118.04176	2.1
119.04947	0.8
119.08550	1.4
121.06509	31.5
122.03618	0.7
123.04443	6.2
124.05289	3.3
129.07024	1.2
130.04187	1.3
131.04941	2.8
132.05742	0.8
133.06506	1.9
137.05984	1.5
138.09137	1.0
139.03857	0.7
140.04692	1.4
143.04951	1.4
145.06491	20.8
147.04417	1.0
147.08130	1.0
148.05153	0.8
151.03931	1.8
152.04678	2.0
153.05455	1.3
155.05984	3.7
155.07132	1.0
156.05687	5.0
160.05191	1.6
161.05975	2.8
164.07080	2.3
165.05476	0.8
167.07053	100.0
168.07413	0.8
173.06004	23.8
174.06813	1.0
175.03973	1.2
175.07571	2.4
176.04735	2.0
177.05518	0.8
179.07060	1.2
181.05020	5.2
181.06412	1.1
182.15402	1.9
184.05269	2.0
189.09135	1.0
190.06258	14.4
190.07950	1.0
191.07054	10.2
191.08604	0.7
192.07809	2.0
193.08604	2.0
201.05513	2.2
202.06303	3.5
203.07011	2.0
205.08609	19.8
207.08142	1.5
207.10178	2.9
210.14778	1.5
217.08621	24.6
217.10663	1.4
219.08092	1.1
221.05980	0.9
222.11345	1.5
223.09650	0.9
231.06476	4.3
233.08124	2.1
235.07663	1.3
235.09665	29.0
247.07677	0.9
253.08981	0.8
263.07068	0.8
264.07782	1.5
279.06238	0.8
279.10217	2.3
281.08026	1.2
284.09244	1.9
294.09122	0.9
295.09781	0.9
307.09631	2.9
309.07642	0.9
310.07135	3.0
311.12698	1.6
319.11746	2.5
325.10501	0.9
328.12140	1.0
331.11603	1.3
339.12201	1.7
356.12387	0.9
368.15018	5.0
369.13492	1.1
370.16687	3.2
371.14938	9.6
397.12735	1.5
398.15927	6.5
415.13623	1.0
502.13629	1.3
534.21387	1.2
552.22485	6.2
552.44965	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	551.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
52.23669	0.9
53.03941	3.7
53.10339	1.0
55.05513	13.6
57.07074	7.1
58.16199	1.0
58.33356	0.9
58.59472	1.2
65.03939	3.8
67.05507	25.3
69.06722	1.4
69.07074	20.1
70.16739	2.3
70.17133	3.4
71.08646	2.3
75.72679	1.0
77.03954	1.3
79.05496	19.9
81.07059	39.7
83.04943	1.3
83.08635	8.5
84.87336	1.0
85.06537	2.4
85.10135	1.1
91.05482	39.6
93.07050	53.6
95.04968	7.4
95.08611	39.8
97.10166	2.2
103.05474	3.7
105.04555	2.4
105.07038	67.9
107.08603	54.4
109.06539	2.7
109.10164	39.1
111.08075	1.9
115.05453	4.1
115.73512	1.1
117.07035	18.0
119.08588	100.0
120.08859	1.3
121.10152	44.4
123.08065	3.2
123.11718	12.7
128.06204	6.5
129.07011	9.7
130.07826	6.6
131.08582	30.3
133.10138	58.1
135.08031	1.4
135.11699	39.3
137.09595	3.5
137.13293	1.5
139.11206	1.5
141.06990	5.2
142.07774	12.1
143.08582	24.9
144.09380	6.4
145.10132	67.1
146.10773	1.1
147.11693	19.5
149.09558	1.6
149.13275	3.4
153.07040	1.8
154.07756	2.4
155.08577	10.4
156.09351	9.7
157.10147	37.2
158.10899	5.6
159.11699	32.6
160.12323	1.4
161.13283	9.1
163.11185	2.6
163.14839	3.0
165.07033	3.3
167.08583	4.5
168.09341	3.5
169.10135	18.8
170.10912	3.9
171.11693	21.1
172.12471	2.5
173.13289	23.1
174.13641	1.0
175.14838	36.1
179.08586	6.9
180.09306	3.1
181.10155	8.8
182.10928	6.2
183.11714	15.7
184.12436	1.8
185.13258	13.8
187.14818	14.3
189.16484	2.8
191.14243	1.3
192.09367	1.9
193.10146	6.8
193.15927	1.6
194.10980	5.3
195.11708	10.7
196.12488	5.2
197.13266	16.0
197.14958	1.7
199.14847	6.9
201.16374	12.6
203.17972	1.5
205.10062	1.2
205.15822	1.9
206.10916	2.3
207.11694	8.1
208.12471	4.2
209.13272	13.5
210.14006	2.7
211.14836	12.9
213.16342	6.0
215.18033	2.3
217.15953	1.7
219.11676	2.7
219.17451	4.4
220.12585	1.7
221.13272	9.1
222.13968	2.6
223.14806	12.5
224.15656	1.5
225.16295	5.4
227.17955	1.9
231.11719	1.8
233.13211	4.5
234.14131	2.0
235.14861	5.5
236.15614	1.3
237.16386	6.1
239.17940	4.4
241.19516	3.4
245.13316	2.2
247.14856	4.1
249.16376	3.0
251.17949	3.2
253.19522	4.8
257.13251	1.9
257.18942	1.1
259.14713	2.2
259.20602	3.3
260.15610	1.1
261.16428	3.3
263.18018	3.4
265.19519	4.4
267.21045	4.2
273.16409	1.6
275.18069	2.6
277.19482	2.4
279.21014	2.9
281.22888	1.4
283.20453	2.9
283.23648	1.2
285.16446	1.9
285.22202	2.6
287.17929	1.9
289.19687	2.4
293.22552	1.9
303.21164	2.0
313.19720	1.4
319.24237	1.8
331.24081	1.6
337.24991	1.5
345.25739	3.9
349.25317	1.2
383.61987	1.1
391.20264	1.2
397.28928	1.2
398.29434	1.9
417.30472	1.4
429.31247	1.8
459.36496	1.6
495.36166	2.8
533.41589	3.2
551.42584	28.6
551.50940	2.1
552.42664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
53.54644	1.3
55.05514	14.3
57.07076	9.9
61.17945	1.4
65.03950	3.6
67.05508	26.2
69.07069	20.8
69.48128	8.7
71.08629	2.1
77.63667	1.4
79.05503	22.1
81.07064	40.4
83.08611	7.3
84.04559	1.4
85.06564	2.1
91.05487	38.7
93.07050	58.6
95.04970	5.1
95.08614	41.7
98.20753	3.0
103.05543	3.3
105.04570	2.1
105.07037	73.5
107.08604	54.2
109.06495	2.4
109.10152	39.1
111.35701	1.5
115.05478	3.6
116.06245	2.1
117.07024	14.7
119.08589	100.0
121.10143	41.8
123.08095	1.7
123.11725	12.5
128.06223	6.7
129.06990	10.7
130.07816	8.7
131.08582	30.4
133.10138	54.3
135.11705	34.2
137.09583	3.1
141.06970	5.4
142.07791	13.9
143.08575	27.3
144.09348	8.5
145.10130	68.4
147.11688	19.9
149.09648	3.1
149.13332	7.4
153.06963	3.0
154.07851	2.1
155.08546	12.7
156.09349	12.5
157.10136	33.9
158.10930	4.8
159.11694	29.8
161.13232	11.3
163.11130	3.6
163.14824	1.9
167.08592	5.0
168.09305	4.3
169.10138	17.2
170.10907	5.0
171.11697	23.5
172.12451	2.7
173.13269	21.5
175.14839	32.1
175.24649	1.5
179.08551	7.6
180.09285	3.5
181.10106	11.5
182.10881	4.3
183.11707	15.9
184.12500	1.9
185.13318	11.5
187.14818	12.1
189.16371	2.5
192.09380	1.6
193.10194	7.4
194.10963	5.2
195.11644	12.1
196.12453	4.4
197.13277	19.5
199.14819	8.4
201.16393	14.0
205.15898	1.8
207.11720	6.0
208.12473	3.7
209.13268	16.6
210.14005	2.6
211.14827	11.8
213.16365	6.0
215.17880	2.8
219.11714	2.9
219.17494	4.2
220.12454	2.3
221.13290	6.5
222.13976	2.7
223.14787	10.6
225.16336	5.2
227.17921	2.7
232.12439	2.5
233.13277	3.0
235.14862	3.5
237.16357	5.7
239.18013	2.7
241.19548	3.3
246.14102	1.6
247.14886	4.0
249.16426	4.3
251.17978	2.8
253.19551	5.3
255.21210	1.8
256.56793	1.4
257.18802	2.6
259.14816	2.6
261.16418	3.6
263.17810	3.9
265.19522	3.6
267.21124	5.8
275.17853	3.4
277.19702	2.3
279.21039	2.6
280.81137	1.6
283.20572	2.1
285.21918	3.7
289.19437	2.0
297.22314	2.1
309.21921	1.8
319.23923	1.9
327.07715	2.6
345.25818	3.5
355.24127	1.9
411.30487	2.5
429.31366	2.2
459.35742	2.1
533.41656	2.7
551.42474	33.4
551.50140	3.0
551.62585	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	550.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.4
57.03446	17.1
57.12986	3.2
61.02922	7.1
61.14959	3.1
67.05508	25.0
69.03438	29.8
69.07061	10.0
70.05702	6.3
70.06114	11.3
73.02927	29.5
79.05487	14.0
81.03425	8.6
81.07071	47.5
85.02908	43.7
85.06559	4.6
87.04465	9.2
91.05487	18.9
93.07064	37.9
95.04978	10.7
95.08618	55.9
97.02906	34.9
97.06538	4.1
98.20819	4.1
99.04454	4.2
101.26009	3.6
105.07040	44.6
107.04949	7.2
107.08597	44.6
109.02883	4.5
109.06531	6.5
109.10167	53.7
115.03949	24.0
115.05399	3.9
117.07015	5.8
119.08591	37.1
121.06528	7.4
121.10138	20.7
123.08008	3.8
123.11696	8.6
127.03905	14.2
131.08595	7.0
133.04973	20.2
133.10141	24.8
134.26135	3.7
135.08038	7.3
135.11729	10.0
137.05991	4.5
145.04955	10.4
145.06548	5.1
145.10130	6.3
147.11702	47.6
149.13356	4.7
157.10164	7.2
159.11642	6.9
161.13258	12.5
163.14903	7.0
165.12758	13.6
167.07077	10.1
173.13326	4.8
175.07567	3.9
175.14836	6.0
177.05545	5.5
177.16354	4.4
191.14319	5.9
203.17979	100.0
205.15886	3.6
209.15396	13.6
221.18980	15.6
233.03667	3.8
233.08173	4.6
266.08871	3.4
279.06653	3.8
307.70123	3.5
383.11359	6.4
387.14090	3.7
550.20703	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	551.224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57978	0.6
69.63651	1.0
69.64052	2.7
74.02408	0.8
91.05490	1.9
92.96178	0.6
98.20842	1.3
115.05427	0.9
117.05764	1.0
117.07012	1.3
118.06550	20.8
130.06570	1.0
132.08112	6.4
142.06529	2.0
143.07347	2.6
144.08083	12.3
146.06015	61.4
159.09190	5.5
159.58295	0.6
170.05989	5.1
188.07077	100.0
189.07423	1.0
204.95070	0.6
205.09735	40.0
206.09914	0.7
285.85809	0.6
332.00458	0.6
377.60156	0.7
548.89215	0.6
551.23627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
53.87333	0.8
55.01871	3.1
55.05525	2.1
57.03445	11.1
57.07104	1.0
58.55172	0.9
59.05010	1.6
61.02916	9.7
67.05517	3.3
69.03434	30.4
69.03816	1.5
69.07072	1.3
69.37472	0.8
69.76801	4.3
71.05000	5.0
73.02925	2.9
78.69118	0.8
79.05481	5.3
81.03427	13.6
81.07059	6.8
83.01345	1.5
83.05002	2.0
83.08673	1.1
85.02911	96.8
85.06561	1.4
87.04501	4.1
91.03956	5.8
91.05492	5.5
93.07080	4.2
95.04993	3.2
95.08616	6.5
97.02901	31.6
97.06525	6.1
98.20842	1.7
99.04479	7.4
105.07021	10.4
107.05005	1.3
107.08596	7.7
108.05753	1.2
109.02887	11.4
109.06528	6.1
109.10210	2.4
111.04464	1.6
111.08091	1.5
115.03970	1.9
117.07069	1.4
119.08568	5.8
121.06496	4.5
121.10136	6.2
122.37426	0.8
123.04434	1.1
123.08082	48.5
123.11770	1.2
125.06020	3.0
127.03929	27.3
131.04984	1.0
131.08569	4.2
133.06505	4.6
133.10153	7.6
135.08099	3.2
135.11737	2.6
137.05977	1.2
137.09705	1.5
143.08566	1.4
145.04962	39.5
145.10158	4.1
147.04446	1.3
147.08061	0.9
147.11722	4.6
149.09676	4.1
151.07556	81.3
151.11238	3.0
153.09120	5.2
155.08316	0.9
156.09381	1.3
159.11728	1.5
161.09615	1.5
161.13326	2.1
163.06017	7.7
163.11189	19.6
163.12514	1.1
165.12819	2.0
171.06525	1.4
171.11739	1.8
173.13283	1.3
174.10405	0.9
177.12738	5.2
181.05058	1.2
181.12253	9.2
189.07664	2.4
189.12756	19.7
191.14331	6.4
192.11525	2.0
204.06763	1.0
207.13824	100.0
208.14214	2.2
209.15399	7.7
223.13254	2.3
225.14873	14.6
291.16348	1.1
302.13721	1.1
336.68930	0.9
351.18057	1.2
369.19296	3.7
376.94815	0.9
384.14645	1.0
387.20145	10.0
531.24255	4.7
549.17664	1.7
549.25555	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	548.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.2
57.07082	15.1
61.38091	2.4
65.58079	2.6
67.05494	3.7
69.07061	8.9
69.37469	11.9
69.37884	9.0
71.08632	11.5
72.25301	2.5
81.07043	6.8
83.08625	9.3
91.05441	3.3
95.08614	8.9
97.10181	7.7
102.05547	6.1
107.08598	6.8
109.10175	6.8
111.11726	2.9
118.28089	2.5
135.08084	9.2
136.08826	2.9
137.09627	8.9
139.07603	4.1
149.09621	8.9
159.11766	2.7
163.11212	11.0
164.08371	6.6
165.09129	100.0
175.11212	4.2
177.09129	10.8
187.11214	3.8
191.10695	7.7
201.12845	3.4
205.12297	12.0
219.13799	2.8
233.15352	2.7
262.84113	2.7
421.50192	2.8
429.37317	98.0
430.38019	12.6
447.38394	20.5
530.41937	6.1
554.51093	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	546.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.2
65.78496	2.1
67.05499	9.3
67.24049	2.0
69.03419	3.5
69.07077	4.0
70.04413	10.6
71.05009	11.3
77.76928	2.3
79.05479	8.6
81.03423	3.7
81.07074	19.9
83.04988	5.4
85.02943	12.2
89.43192	2.2
91.05483	16.8
93.07065	13.2
95.04971	2.8
95.08621	12.5
102.43643	2.4
105.07047	33.5
105.51656	2.3
107.04977	3.9
107.08622	12.2
109.06501	5.6
109.10165	4.6
115.05467	4.8
117.07030	12.4
119.08578	16.6
121.06566	5.6
121.10120	7.6
128.06258	5.1
129.05499	3.3
129.06998	17.3
130.07835	2.3
131.08575	29.3
133.06487	2.9
133.10156	11.4
135.08060	8.9
135.11685	3.6
137.05966	3.9
141.06937	3.6
142.07770	9.4
143.08574	27.9
145.06522	5.7
145.10143	42.6
147.08090	5.7
147.11681	15.4
151.07510	3.4
155.08556	12.8
156.09312	9.0
157.06511	5.7
157.10156	32.0
159.08047	7.0
159.11705	15.7
161.05994	3.1
161.09634	4.5
161.13260	7.3
163.11116	3.5
165.07013	6.2
166.20963	2.3
167.08545	5.4
168.09357	4.8
169.10138	7.0
171.08035	5.1
171.11729	15.1
173.09680	21.2
173.13208	2.3
175.07576	7.4
175.11185	6.0
181.10121	8.1
183.11768	13.3
184.08846	6.4
185.09764	11.7
185.13292	44.6
187.14824	4.8
195.11691	21.5
197.09511	2.5
199.11177	21.4
201.12816	5.7
203.10670	17.8
203.12228	2.2
203.12833	2.4
203.14386	20.3
203.17960	24.6
209.09639	4.5
211.11345	6.6
213.12755	18.6
217.12286	6.6
221.15465	8.8
227.10722	30.8
227.12846	2.7
229.12257	11.3
231.13829	100.0
232.14157	2.7
245.11739	22.9
247.13257	5.3
249.14885	18.0
263.12790	10.0
267.15894	9.7
281.13788	11.6
283.15549	3.1
444.86850	2.3
457.23795	2.5
475.26346	3.7
496.06982	2.4
511.26819	5.0
546.35004	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	546.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05517	3.3
67.05498	4.2
69.03425	2.9
69.07060	3.4
71.05002	1.4
71.56599	1.8
79.05489	4.0
81.07067	8.4
83.08601	1.2
91.05493	10.0
93.07061	6.3
95.04975	2.5
95.08629	7.7
97.06503	1.1
103.05452	2.2
105.07047	14.1
107.04961	2.9
107.08614	7.2
109.02840	1.2
109.06551	1.5
109.10129	2.2
111.04424	1.6
113.91651	1.0
115.05447	2.6
117.07064	8.8
119.08588	11.4
121.06526	3.5
121.10107	1.8
123.08091	2.3
128.06190	5.0
129.07039	8.9
130.07771	2.1
131.08572	11.9
133.06493	1.4
133.10182	5.5
135.08055	4.0
137.05981	2.6
137.09554	0.9
141.06989	2.2
142.07793	6.2
143.08582	22.4
145.10124	24.5
147.08028	3.5
147.11668	2.2
149.06026	2.1
151.07552	2.3
155.08569	7.3
156.09328	6.1
157.06519	2.7
157.10167	21.3
159.08058	2.2
159.11717	13.2
161.05989	4.5
161.09625	2.4
161.13264	2.3
161.31361	1.1
163.07512	2.0
165.06999	2.7
166.07666	1.4
167.08499	2.5
168.09325	1.8
169.10124	3.4
170.10901	1.4
171.08055	5.2
171.11673	9.4
173.09622	12.1
175.07545	11.5
175.11200	2.5
179.08553	1.6
180.09363	2.8
181.10110	3.5
183.11691	5.3
184.08899	3.2
185.09680	1.9
185.13286	43.5
187.14833	2.7
189.09102	3.8
189.12698	2.8
193.10355	1.1
195.11700	10.5
199.11168	9.4
203.10655	3.1
203.14333	10.6
209.09589	2.5
211.11078	2.6
213.12758	11.7
217.12247	4.1
221.15349	2.4
225.12814	1.9
227.10692	15.6
229.12260	5.7
231.13815	100.0
232.14082	1.3
245.11771	10.1
247.13379	1.3
249.14986	5.6
263.12823	5.5
265.14502	1.3
292.19946	1.5
299.59711	1.0
308.05356	1.9
321.15698	1.0
388.52573	1.2
403.25259	1.1
411.22995	1.5
439.22256	1.4
447.25406	1.7
465.26367	1.8
475.24728	2.5
483.27338	3.7
493.25583	2.2
546.17291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	2.7
51.91407	2.2
53.03947	7.0
55.01875	4.1
55.05512	31.5
57.03443	12.9
57.07082	4.5
65.03937	4.1
66.92130	2.6
66.93567	2.0
67.05511	73.7
67.05876	5.0
69.03421	5.0
69.07071	36.9
71.04990	6.0
71.56358	2.3
79.05061	4.4
79.05497	58.2
81.03419	6.2
81.07063	87.0
83.04987	8.0
83.08622	18.4
85.06546	8.4
91.04891	2.7
91.05490	58.3
93.07052	68.0
95.04955	12.9
95.08618	52.9
95.09157	1.7
97.06519	10.1
97.10166	10.8
99.08096	6.4
103.05482	3.1
105.07034	50.8
107.04955	3.3
107.08599	41.0
109.06602	4.6
109.10173	23.7
111.08089	4.3
117.07024	22.6
119.08599	48.0
121.06501	5.8
121.09319	3.7
121.10141	26.8
123.08059	3.6
123.11708	9.7
125.09675	5.5
128.06230	4.3
129.07031	19.5
130.07722	2.8
130.61890	2.4
131.08586	40.9
133.10138	35.4
135.08025	5.9
135.11690	14.9
137.09595	2.3
137.13310	3.3
139.11243	2.7
141.06935	2.9
142.07732	5.2
143.08566	22.5
145.06480	3.4
145.10141	39.5
147.08054	4.2
147.11696	36.9
149.09641	3.5
149.13263	13.9
151.11272	3.4
155.08572	8.9
156.09409	2.7
157.10136	27.8
159.08095	3.1
159.11716	31.6
161.09621	3.3
161.13243	18.8
163.11179	2.8
163.14723	3.3
165.12825	2.6
167.08635	3.6
169.10130	13.4
171.11705	23.9
173.13295	22.0
175.11183	2.9
175.14827	9.6
177.12764	4.2
181.10118	5.1
183.11761	15.5
185.13284	16.7
187.14806	10.7
193.12280	2.5
195.11766	4.3
195.13727	3.5
197.13396	12.2
199.14792	12.0
201.16422	4.3
209.13338	6.0
211.14841	5.5
213.16470	4.7
215.17920	2.3
221.13203	3.0
223.14862	4.3
227.12656	3.0
231.21010	2.4
241.19530	14.7
251.18112	3.1
257.19067	4.7
259.20596	23.2
261.22165	5.9
267.15982	7.1
269.17459	16.7
271.20535	3.1
277.21707	2.8
287.20093	3.0
297.21976	3.1
299.23770	3.5
301.21774	3.4
301.25241	4.8
315.23212	5.0
325.25180	3.2
329.24814	3.3
333.24255	13.2
359.25922	2.2
407.32889	4.0
417.31543	6.6
423.32678	4.6
425.34113	6.3
435.32742	24.5
443.35199	3.9
453.33752	21.6
471.34750	24.6
499.37570	4.4
509.36176	7.8
515.37085	5.4
517.39124	19.2
527.37372	100.0
545.30585	3.3
545.38397	58.5
546.38239	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	544.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.05504	18.2
57.03447	7.9
59.05005	12.2
62.00141	6.4
67.05518	45.0
69.03426	7.3
69.07078	45.8
69.27508	5.5
69.91589	26.6
71.04993	6.6
79.05499	33.3
81.03408	6.1
81.07059	84.6
83.05006	9.3
83.08627	14.8
91.05482	49.1
93.07050	47.9
95.04972	21.5
95.08610	64.3
97.06540	11.7
103.05522	8.9
103.81198	5.5
105.07037	67.1
107.08585	50.6
109.06529	14.2
109.10173	35.6
111.04461	7.1
113.05992	12.9
117.07025	26.3
119.08578	47.3
121.06496	13.2
121.10154	31.5
123.08092	8.0
123.11737	25.8
125.05986	6.9
128.06245	11.6
129.07040	27.8
131.08568	37.1
133.06494	7.5
133.10149	25.8
135.08028	9.4
135.11710	25.4
137.06029	8.3
137.13246	29.0
139.03935	11.6
141.05487	23.6
141.07060	7.4
142.07785	22.2
143.08597	29.9
145.06506	9.9
145.10143	29.2
147.08115	6.7
147.11711	31.1
149.09601	9.6
149.13327	9.8
153.05518	13.1
155.08563	19.9
157.10143	50.5
159.08086	16.9
159.11694	43.0
161.09645	10.9
161.13261	15.7
163.14819	9.8
168.09422	13.0
169.10123	11.2
171.08134	7.2
171.11694	14.4
173.09634	11.2
173.13228	12.7
175.07512	10.1
175.11192	11.4
179.08507	7.0
181.10117	11.2
183.11748	35.6
185.09680	8.7
185.13187	11.7
187.11195	14.3
187.14867	8.0
195.10091	6.8
199.11220	6.4
199.14888	8.4
201.12776	7.9
203.10661	17.3
211.11217	25.0
213.12689	8.1
217.12228	6.4
219.10202	6.1
227.10754	7.8
229.12193	42.3
231.13844	17.6
233.06036	10.9
235.07660	27.4
245.11626	8.4
247.13277	13.6
249.14925	5.5
263.06921	10.0
263.12830	21.0
265.08783	10.4
266.09375	6.3
266.27435	6.7
295.09689	27.3
296.09891	10.5
297.10379	7.8
324.12073	6.6
373.27399	18.9
413.30460	59.4
431.31558	100.0
452.32477	7.9
544.26886	46.1
544.36938	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	544.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01863	7.1
55.05501	10.1
57.07075	3.9
67.05509	21.6
69.03419	5.5
69.07085	7.2
69.64159	14.2
69.64564	8.2
71.04993	6.1
76.81110	3.6
79.05508	28.3
81.07060	24.4
83.04990	6.9
83.08614	3.8
85.06562	7.1
91.05482	49.5
91.65861	4.5
92.18526	4.3
93.07044	30.0
95.04980	15.4
95.08636	11.2
97.06541	16.3
98.07343	6.0
98.20731	6.3
99.04465	5.0
99.08150	4.2
103.05476	7.4
105.04519	3.9
105.07032	58.3
106.07855	5.9
107.04954	9.3
107.08625	21.0
109.06556	10.5
109.10193	6.5
115.05449	15.8
117.07005	32.8
118.07809	6.6
119.04935	6.1
119.08590	51.4
121.06519	10.3
121.10123	8.4
123.08060	7.4
124.08839	6.1
128.06227	26.4
129.01431	3.9
129.06999	37.0
130.07805	6.4
131.04938	6.4
131.08578	44.5
132.08994	3.8
133.06519	10.8
133.10150	21.7
135.08080	14.3
135.11716	4.3
136.10262	3.5
137.09639	16.0
141.07008	19.3
142.07811	22.8
143.08566	100.0
144.09338	12.8
145.06517	18.9
145.10139	38.6
147.08051	23.8
147.11685	7.3
152.06236	5.9
153.07007	13.4
154.07764	12.7
155.08580	36.3
156.09354	24.0
157.06555	4.5
157.10156	47.3
158.07301	4.8
159.04388	4.9
159.08063	18.8
159.11717	33.7
160.08809	5.4
160.12073	4.4
161.05920	5.2
161.09653	16.0
161.13324	4.0
165.06992	11.2
166.07780	13.4
167.08588	26.1
168.09393	14.8
169.10173	33.6
171.08032	18.3
171.11681	69.0
172.08847	6.4
173.09641	13.0
173.13284	7.6
175.07553	6.9
175.11162	6.1
179.08572	7.1
181.10141	30.0
182.10901	5.2
183.08162	7.0
183.11691	44.3
184.08894	8.1
185.09729	20.1
185.13264	29.5
187.11221	20.8
189.09128	25.5
189.12811	5.8
193.10220	8.8
195.08118	4.9
195.11731	7.7
197.09627	14.9
199.11198	51.2
200.08392	3.7
200.11954	12.5
201.12756	13.6
201.16508	5.8
203.14420	5.4
205.12222	5.8
209.09705	9.5
211.11237	20.4
213.09158	16.1
213.12788	6.7
215.10764	10.4
217.12187	4.6
227.10655	31.3
228.11465	15.6
229.12236	50.7
230.13039	5.8
231.13837	35.9
245.11690	18.0
246.12495	29.4
247.13275	29.4
265.14478	8.5
281.13818	39.9
319.84488	4.0
544.37817	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36687	0.7
53.03946	4.1
55.01871	3.1
55.05513	14.8
57.03428	2.3
57.07071	1.8
65.03941	1.8
67.05508	35.9
69.03436	1.4
69.07070	10.5
69.40292	3.9
69.40697	1.9
71.04999	3.8
71.08636	1.0
73.02920	1.0
77.03897	1.2
79.05497	48.3
81.03426	2.8
81.06575	1.8
81.07060	36.2
83.05000	5.1
83.08640	8.6
85.06561	0.7
91.05483	25.3
91.53831	0.7
93.07050	60.7
95.04974	9.3
95.08614	44.4
95.09236	1.7
97.02885	3.6
97.06519	3.7
97.10171	2.4
99.04464	4.1
103.05482	1.4
105.04498	1.7
105.06359	0.5
105.07030	18.0
107.04953	7.6
107.08601	34.3
109.06544	2.7
109.10155	6.9
111.04453	1.8
111.08077	2.0
116.06261	0.8
117.07016	13.0
119.08576	16.6
121.06546	6.0
121.10144	19.8
123.08025	1.5
123.11751	1.5
125.06051	1.5
129.07022	2.6
130.07779	2.1
131.08583	8.8
131.72395	0.8
133.10150	7.5
135.08049	2.5
135.11700	47.7
139.07545	1.9
143.08580	2.8
145.10132	27.7
147.08083	0.8
147.11719	3.5
149.13286	3.7
153.12682	1.0
157.10146	1.4
159.08014	1.1
159.10634	0.8
159.11688	4.0
161.13315	3.5
163.11200	52.4
169.10182	1.0
171.11768	1.2
173.09698	1.3
173.13301	2.5
175.14935	1.1
181.12267	10.4
183.11742	1.4
187.14778	1.2
209.11707	1.9
219.17599	1.0
227.12790	100.0
243.21196	1.7
261.22177	7.8
283.15466	1.0
299.23904	0.8
317.24838	2.6
449.49197	0.9
451.32806	1.0
487.34396	0.8
525.36090	1.5
543.36865	47.9
570.79352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.7
55.05513	5.5
60.59117	3.6
66.14913	4.1
67.05505	14.0
69.03452	4.8
69.07051	4.2
71.00147	7.3
71.01361	7.9
71.04986	5.2
79.05516	22.4
81.07057	16.5
83.05024	4.7
91.05473	32.4
93.07024	20.1
95.04983	15.5
95.08585	8.0
97.06552	7.0
102.04418	3.8
102.79179	4.7
103.05495	4.6
105.07022	34.9
107.08621	20.3
109.06523	7.3
109.10109	4.2
115.05490	8.7
117.07024	17.3
119.08587	56.9
121.06541	5.4
121.10163	5.5
128.06258	16.6
129.06987	34.0
131.08571	33.2
133.06497	4.9
133.10133	6.7
135.08084	11.7
138.88948	4.1
141.07021	21.2
142.07788	23.6
143.08588	35.9
145.06450	20.4
145.10136	23.5
147.08080	12.1
147.11678	13.6
149.06003	6.2
149.09660	6.7
151.07544	8.1
152.06184	4.1
153.07040	12.0
154.07785	5.2
155.08575	32.2
156.09337	14.1
157.10135	76.5
159.08109	14.0
159.11723	14.1
163.07581	10.0
165.06984	9.2
165.09125	9.4
166.07788	23.4
167.08537	19.1
168.09348	47.6
169.10162	8.9
171.08031	9.2
171.11668	27.3
172.08821	6.4
173.05960	4.9
173.09550	18.7
173.13245	9.2
175.11217	18.0
178.07922	5.0
181.10149	61.5
183.11710	93.2
184.08870	5.9
185.09634	26.8
185.13371	8.4
187.11139	6.0
189.12811	5.3
191.10574	5.2
193.10143	25.5
196.08945	5.2
199.11203	33.1
201.09123	4.6
201.12727	10.0
203.10727	35.5
205.06500	13.0
207.10109	4.6
209.09596	6.4
211.11183	70.2
212.73891	3.9
213.09029	6.4
217.08470	4.7
217.12315	13.5
222.06654	5.0
227.10658	32.1
228.11301	5.1
229.12245	100.0
230.12749	4.5
231.10143	10.3
231.13800	5.2
233.06001	18.6
235.07397	5.6
237.09027	21.9
245.11732	63.1
247.13454	6.2
263.07156	4.8
263.12866	20.2
264.07751	5.7
265.08591	36.6
281.13928	7.0
295.09650	37.8
324.12173	5.0
349.51288	4.1
452.36044	5.4
463.24472	6.9
481.25601	11.0
491.23758	8.8
541.61121	4.5
544.27057	55.7
544.34894	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	542.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
53.63457	2.1
55.05502	6.5
57.03427	3.8
57.07072	2.6
65.03928	2.4
67.05505	15.5
69.07066	11.6
69.92786	10.6
73.94454	2.3
74.09718	5.1
75.04482	17.2
79.05493	24.6
80.42353	2.4
81.03409	5.4
81.07063	74.8
83.08633	4.9
88.82536	2.4
91.05480	23.2
93.07049	35.7
95.04952	6.3
95.08615	29.9
97.06538	2.6
105.07033	34.0
107.08600	76.9
109.10149	14.5
111.08083	2.6
117.05500	38.4
117.07008	11.6
118.60258	2.4
119.08589	34.5
121.10136	24.1
123.11685	3.7
125.09574	2.5
129.07031	4.0
130.07761	2.9
131.08586	27.7
133.06622	2.3
133.10147	26.6
135.08051	5.3
135.11676	14.9
142.07747	3.1
143.08551	4.3
144.09335	5.2
145.10117	57.3
147.11673	8.7
149.13245	6.3
155.08533	3.1
157.10121	7.6
159.11693	44.5
161.13281	15.2
163.14822	56.4
171.11653	2.9
173.13277	17.8
177.12689	5.2
183.11653	4.7
185.13211	2.8
201.16385	100.0
219.17421	23.6
229.12254	8.5
261.18399	3.8
279.19580	4.9
307.08109	2.1
423.94247	2.2
542.24615	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	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16982	0.8
57.24926	0.6
58.52546	0.6
64.90161	0.7
71.54362	0.7
71.94228	0.6
78.99801	0.7
86.75260	0.6
152.01427	0.6
162.67056	0.6
215.76762	0.6
284.99411	0.7
325.55743	0.6
363.07037	2.1
381.07968	17.5
450.24762	0.7
543.13245	100.0
544.13367	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01869	3.8
55.05513	14.0
57.03405	2.7
57.07047	2.0
59.04986	0.6
65.03915	2.8
67.05505	33.9
69.03403	2.4
69.07065	9.7
70.09982	0.8
71.04993	4.3
71.05344	0.9
71.58342	1.1
73.02903	1.2
77.03919	0.8
79.05492	40.7
81.03400	2.4
81.07056	34.6
83.04955	3.1
83.05451	0.6
83.08621	7.7
83.38298	0.7
85.06532	1.3
91.04898	0.9
91.05478	23.8
93.07045	54.8
95.04974	8.6
95.08609	39.2
95.09235	1.2
97.02871	3.3
97.06503	3.2
97.10144	1.7
98.71381	0.7
99.04459	3.9
103.05469	0.7
104.14540	0.7
105.04485	1.2
105.06387	1.0
105.07033	15.7
107.04950	6.4
107.08594	30.8
109.06496	2.6
109.10153	7.1
111.08033	0.9
115.05419	1.3
117.07022	11.6
119.07796	1.3
119.08579	16.4
121.06475	5.3
121.09328	1.3
121.10147	18.5
123.08038	1.5
123.11720	1.9
125.05958	2.8
125.09547	0.9
128.06221	1.5
129.06996	1.9
130.07767	2.9
131.08569	6.2
133.10109	8.3
135.08055	2.4
135.11690	41.2
139.07536	1.4
143.08522	2.7
145.10129	25.9
147.11670	3.8
149.13249	3.3
153.12686	1.0
155.08493	1.3
157.10129	1.8
159.11685	5.3
161.13260	2.8
163.11182	44.7
163.14798	1.1
167.08597	0.8
169.10159	1.0
171.11752	1.6
173.09682	0.9
173.13202	3.4
175.14760	0.8
181.10400	1.3
181.12239	12.6
183.11671	0.8
187.11162	0.8
187.14844	1.9
197.13190	1.0
201.16377	0.9
203.10580	0.9
209.11777	2.0
227.12778	100.0
228.13280	0.9
243.21126	1.9
261.22147	6.4
275.20175	0.9
275.91736	0.7
283.15421	0.7
317.24817	1.9
469.33575	1.0
525.36035	3.4
543.36810	56.2
544.37592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.1
57.03431	4.5
57.07066	2.9
66.15426	1.6
69.03442	2.4
69.07076	65.1
69.07457	3.6
71.04998	34.0
71.08601	2.4
83.04980	6.5
83.08614	3.3
85.02908	33.1
85.10178	2.4
93.07058	2.3
97.02879	2.8
98.20689	3.8
105.07050	2.7
111.04456	5.9
111.11725	100.0
127.03894	2.2
129.05508	12.3
129.12755	5.4
147.06516	6.6
181.04849	3.1
199.16953	41.9
217.17973	20.8
314.39523	2.2
542.30756	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	542.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35668	1.8
55.05508	8.8
57.03433	7.8
57.07074	13.3
57.39032	2.0
59.05005	2.5
69.03431	2.3
69.07075	52.3
71.05000	52.7
71.08631	9.8
71.55257	2.6
73.06564	10.1
75.04457	2.5
79.38748	2.4
83.04984	8.3
83.08607	2.7
85.02911	60.9
85.10192	4.4
89.06031	36.8
91.05489	3.0
93.07044	2.1
95.08615	4.5
97.02890	3.8
105.07030	4.5
107.08645	2.9
109.97812	2.1
111.04432	5.1
111.11727	90.8
119.08562	2.4
129.05508	19.5
129.12762	100.0
133.10144	3.5
147.06541	7.1
173.09566	2.5
199.16953	21.2
217.18021	24.9
452.70078	2.3
490.84717	2.5
507.23761	2.6
542.29877	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	542.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01863	4.5
55.05501	9.2
64.79585	3.0
65.03938	4.7
65.87902	3.0
67.05508	19.1
69.03415	8.4
69.07059	11.2
70.77303	3.5
70.91178	5.4
70.91519	3.7
71.04967	3.3
79.05497	26.2
81.03407	5.6
81.07070	18.5
85.06493	3.5
91.05488	51.6
93.07045	23.8
95.04953	13.9
95.08630	15.2
97.06506	4.9
99.04440	14.2
103.05478	7.9
105.07040	49.3
107.04977	3.6
107.08610	19.7
109.06493	8.3
109.10130	6.8
114.41052	3.0
115.05450	12.3
117.07018	29.6
119.04941	6.2
119.08590	86.4
121.06511	10.5
121.10157	6.0
123.08045	7.8
128.06241	27.6
129.07008	41.5
131.04913	4.6
131.08583	32.6
133.06496	8.8
133.10158	17.0
135.08028	14.7
135.11682	4.1
137.09592	4.2
141.06993	36.1
142.07788	40.9
142.69101	2.9
143.08562	91.6
144.05780	3.7
144.09291	10.6
145.06526	18.9
145.10118	27.7
146.07259	5.1
147.08066	42.1
147.11725	4.4
149.06003	4.5
152.06145	3.9
153.06999	22.9
154.07765	12.9
155.08559	45.3
156.09381	37.1
157.06471	8.5
157.10133	86.8
158.07275	11.0
158.10741	3.6
159.04474	5.0
159.08099	23.8
159.11668	19.5
161.05988	3.6
161.09564	7.2
163.07506	6.6
165.07069	22.6
165.09126	82.6
166.07808	22.0
167.08565	34.6
168.09367	38.5
169.06476	5.8
169.10139	29.8
170.07259	5.0
170.10776	3.6
171.08034	10.3
171.11696	72.5
172.08813	12.2
172.12405	4.5
173.05989	4.5
173.09630	9.8
173.13271	9.7
175.07549	3.3
178.07774	4.6
179.08543	7.2
179.13857	3.3
181.06581	5.2
181.10141	59.3
182.07207	4.3
182.10934	4.7
183.08096	8.9
183.11703	100.0
184.08839	7.9
184.11989	4.3
185.06053	4.3
185.09636	22.6
185.13266	13.9
187.07454	6.7
187.11226	9.5
193.10144	21.8
195.08055	6.5
195.11624	6.8
195.87918	3.0
196.08856	3.9
197.09621	11.9
199.11172	55.7
200.08134	3.0
200.11951	9.8
201.12721	10.1
201.16330	4.8
203.10742	8.4
209.09627	10.0
210.10410	4.6
211.11215	55.3
212.08421	4.1
213.09027	15.4
213.12619	3.9
213.81358	3.4
215.10658	11.3
216.11516	6.6
217.12230	10.1
217.19534	4.3
218.13025	4.3
227.10727	25.2
228.11479	23.6
229.12257	96.3
231.13751	9.2
245.09409	5.6
245.11734	53.8
246.12546	40.0
263.12756	4.7
478.07947	3.6
512.89355	3.3
542.27606	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	542.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01871	2.0
55.05516	1.0
55.38127	0.9
57.03398	0.9
66.60603	0.9
67.05494	1.8
69.03404	2.6
70.17142	3.1
70.17509	1.8
71.94324	1.0
79.05486	3.4
81.07065	3.1
83.69474	1.0
85.06568	1.0
91.05493	8.0
93.07038	3.2
95.04968	2.4
95.08614	1.4
105.07039	7.7
107.04961	1.2
107.08583	1.8
111.04410	1.6
117.07038	4.8
119.08561	4.3
121.06484	3.7
123.08125	1.2
128.06236	3.7
129.07001	6.4
131.04942	1.2
131.08575	7.8
133.06496	2.2
133.10129	2.7
135.08005	1.8
141.07007	4.7
142.07805	4.9
143.08575	6.5
145.06479	4.3
145.10123	4.0
146.26491	1.0
147.08008	4.7
149.05952	1.3
153.07024	3.0
154.07736	2.7
155.08566	7.5
157.06444	1.2
157.10135	13.5
159.08049	4.3
159.11729	5.1
161.09615	2.4
164.45160	0.9
165.06990	4.6
166.07693	1.4
167.07123	1.2
167.08521	4.8
168.09364	2.5
169.06531	2.2
169.10136	8.6
170.07190	1.5
171.08054	6.2
171.11674	2.9
172.08762	1.4
173.09628	4.9
175.07501	2.6
178.07784	2.1
179.08551	2.5
181.06512	1.8
181.10139	6.7
182.07327	1.2
183.08066	4.8
183.11697	6.4
184.08739	1.5
185.09605	13.2
185.13228	1.7
186.10388	1.2
187.07584	1.4
187.11214	5.5
192.09340	1.5
193.10136	6.9
195.08041	2.7
195.11691	3.3
196.08824	1.9
197.09593	9.4
197.13257	1.5
199.07507	1.2
199.11163	5.9
201.09113	1.6
201.12686	1.6
203.10609	3.0
205.10129	1.5
209.09607	3.9
211.11183	20.0
213.09088	3.3
213.12692	4.8
215.10689	4.6
217.12277	1.1
221.09578	3.4
223.11156	4.0
224.08186	1.0
225.09065	3.1
227.10622	8.3
229.12282	4.4
231.09999	1.8
231.13857	1.3
233.11732	1.3
235.11212	2.0
239.10703	12.3
241.08728	1.0
241.12202	4.2
243.10114	1.0
245.11751	4.4
251.10680	2.3
257.11716	11.6
259.13309	18.4
269.11749	3.1
275.12814	6.0
287.12772	7.2
294.54501	1.1
407.19977	2.7
415.22906	1.2
417.20758	1.4
425.20984	4.3
435.19763	1.3
443.22229	8.3
453.20767	5.4
461.23236	1.7
471.21710	19.2
489.22763	31.5
490.23090	1.3
507.23792	100.0
508.24066	1.8
525.24902	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48017	1.4
55.01855	1.8
64.90593	1.3
67.05486	2.9
69.03427	3.8
71.57344	1.7
77.13267	1.3
79.05502	3.4
81.07043	2.9
83.04969	1.6
85.02925	1.9
91.05487	9.3
93.07031	4.2
95.04961	2.5
95.08609	3.8
101.25054	1.4
103.05474	2.6
105.07047	10.1
107.08610	2.3
109.02866	1.6
109.06548	2.2
117.07030	4.2
119.08583	7.2
121.06518	3.1
121.10163	2.1
123.04455	1.7
128.06212	3.4
129.07071	8.0
131.08554	9.1
133.06488	2.4
133.10133	4.2
135.08064	3.8
137.06032	1.5
141.06972	4.0
142.07800	5.2
143.08563	11.7
145.06502	5.7
145.10164	4.3
147.08080	8.9
149.05988	3.1
151.07599	1.5
152.06221	1.5
153.06981	3.2
154.07751	3.0
155.08545	8.3
157.10146	8.5
158.07251	2.2
159.08061	9.6
159.11697	4.4
161.09627	4.0
163.07536	2.5
165.06995	3.2
166.07767	3.2
167.08566	6.4
168.09383	4.2
169.10124	10.6
170.07307	2.1
171.06720	1.6
171.08061	11.5
171.11697	4.8
173.09644	6.2
175.07603	3.2
175.11227	2.1
179.08582	3.5
180.09329	2.7
181.06512	2.8
181.10162	6.5
182.07228	3.9
183.08011	7.1
183.11708	6.5
184.08836	4.4
185.09666	13.8
187.11218	7.0
189.09126	2.0
193.10170	4.6
195.08076	4.8
195.11726	4.0
196.08841	3.3
197.09612	24.6
198.10393	2.0
199.07593	2.5
199.11195	12.2
205.10258	2.4
207.08047	2.0
208.08763	4.1
209.09543	7.3
211.11182	21.0
213.09149	8.4
213.12611	7.1
215.10667	9.3
221.09552	2.9
223.11208	12.9
224.08159	1.3
225.09044	3.3
225.12738	4.0
227.10736	8.7
229.12306	4.3
235.11186	2.4
239.10690	9.6
241.12195	8.7
243.10179	18.5
245.11763	5.4
249.12636	1.5
251.10738	4.6
253.12251	3.3
257.11710	8.7
259.13318	30.7
269.11789	4.6
277.14334	6.5
286.21561	1.5
407.20221	1.8
425.21005	4.7
434.20023	1.4
443.22266	18.9
453.20673	2.8
461.23434	12.6
471.21561	3.2
489.22745	94.3
490.23123	2.2
507.23828	100.0
508.24097	2.9
542.29626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28982	2.8
50.44688	3.4
53.03938	4.0
55.01876	8.1
55.05481	5.2
66.59840	3.0
67.05511	9.1
69.03424	7.3
70.06579	4.9
71.21068	7.2
79.05502	12.4
81.07053	12.7
83.05017	4.2
86.53290	3.6
91.05495	23.2
93.07050	15.5
95.04973	9.7
100.05203	4.5
105.07037	28.9
107.04939	5.6
107.08598	10.7
109.06503	3.5
109.10165	4.6
115.05487	5.5
117.07009	17.4
119.04945	6.7
119.08595	49.8
121.06513	6.3
121.10148	7.5
123.04472	4.2
125.05986	3.9
128.06226	13.0
129.07024	16.3
130.07770	4.1
131.08575	21.0
133.10136	8.4
135.08107	8.0
135.11678	4.5
141.06998	10.0
142.07802	20.0
143.08559	22.4
143.09525	3.6
145.06451	5.4
145.10161	31.3
147.04382	4.2
147.08057	13.3
147.11659	4.5
149.06079	4.0
153.06958	9.9
153.23062	3.6
154.07765	5.1
155.08560	33.0
156.09366	9.2
157.06563	4.5
157.10152	84.6
159.08063	9.9
159.11702	14.9
161.06070	4.3
161.09535	4.0
163.07579	6.1
165.07002	8.8
165.09125	21.1
166.07800	7.8
167.08592	17.7
168.09375	39.0
169.10118	14.0
171.08047	5.5
171.11702	11.9
173.05952	4.5
173.09636	21.9
175.07448	6.4
181.06544	5.9
181.10103	31.5
183.11703	100.0
185.13333	5.1
187.07675	5.4
187.11203	10.0
191.10741	11.7
193.10170	21.5
196.08884	10.0
197.09644	9.5
199.11247	16.6
201.09190	14.5
209.09628	4.5
211.11189	82.1
212.08473	5.2
215.10786	18.1
219.10191	44.3
227.10709	23.5
229.12262	83.7
243.10167	6.4
245.11705	11.6
247.13326	5.2
261.11206	9.9
262.11987	6.5
276.51834	3.2
472.69156	3.7
505.37460	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	542.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
59.05173	0.5
61.14415	0.5
69.03427	1.1
70.06594	0.7
71.55512	0.6
79.05488	1.0
85.02900	1.6
91.05484	1.9
93.07021	1.5
97.02904	0.8
98.97604	1.0
103.05473	7.2
107.04968	2.1
116.98598	0.6
119.04945	1.6
120.08117	100.0
121.08463	0.8
127.03933	0.7
128.69093	0.6
131.04948	2.8
135.04369	0.6
136.06197	4.3
137.05998	1.5
142.37112	0.5
147.04439	2.1
149.06021	2.1
151.07497	0.6
163.03900	0.6
165.96603	0.5
166.08652	48.2
167.07098	1.5
167.08907	0.5
175.51115	0.5
179.06960	2.8
197.09897	0.5
409.14743	0.7
428.03836	0.7
531.98065	0.6
542.17505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82363	1.0
53.35629	0.9
59.53787	1.2
70.90223	2.8
75.58650	1.0
75.61192	1.0
78.04716	1.1
79.05499	2.2
80.33062	1.1
90.43486	1.0
91.05473	1.4
94.04192	2.6
102.97450	1.0
103.05469	7.4
105.07018	3.5
107.04969	5.0
109.06498	1.3
115.05438	1.5
119.04963	2.2
121.06531	1.4
122.03639	6.0
123.04462	2.5
124.05212	1.9
128.70232	1.0
129.06927	1.2
131.04948	12.4
131.08565	1.4
133.06502	4.4
133.64131	1.0
135.08076	3.5
137.05988	100.0
143.08606	2.2
145.06505	1.7
147.04431	1.3
149.05974	1.5
151.07544	10.1
152.04691	1.8
157.06503	1.2
159.08133	1.2
161.06021	2.1
163.07564	27.9
165.09154	1.6
167.07053	57.2
171.08087	1.1
175.07579	5.4
179.07066	1.8
181.08594	3.1
187.07608	3.7
189.09140	3.2
193.08601	4.0
201.09218	2.0
203.10736	4.2
207.10161	1.4
219.10175	3.4
221.11812	1.0
233.09622	2.1
233.11757	2.2
293.11652	3.0
325.14313	12.0
333.15903	2.0
357.16977	31.4
375.18097	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	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.0
51.02384	1.5
53.03948	9.2
55.01869	2.6
55.05513	28.3
57.03442	2.7
57.07074	4.9
64.82953	0.8
65.03951	5.8
67.05508	77.9
69.03427	2.1
69.07072	19.2
70.06580	4.0
71.04986	3.6
71.08618	2.1
71.56202	1.3
73.06565	1.1
77.03924	1.6
79.05494	100.0
81.03410	8.5
81.07056	66.9
83.04992	9.9
83.08624	10.4
85.06544	3.1
88.07627	3.2
91.05484	69.4
93.07046	82.9
95.04970	22.6
95.08606	49.4
97.06533	6.4
97.10134	4.7
102.09180	2.0
103.05445	1.8
105.04536	2.8
105.07034	51.3
107.04958	5.8
107.08598	33.9
109.06509	4.9
109.10154	14.4
111.08089	2.2
111.11758	1.2
115.05450	2.2
116.07146	0.8
117.07024	13.5
119.08586	28.9
121.06517	2.5
121.10146	22.9
123.08101	5.7
123.11716	2.6
125.09651	1.0
127.07551	1.0
128.06221	2.8
129.07014	17.0
130.07809	1.6
131.08577	12.0
132.08072	1.1
133.10133	16.1
133.11067	1.0
135.08067	2.0
135.11703	10.4
137.09641	1.3
137.13257	1.3
141.06944	1.3
143.08560	9.4
145.10130	18.2
147.08066	1.7
147.11690	35.9
149.13258	5.1
155.08524	2.1
156.09306	1.8
157.10118	3.1
159.11731	8.4
161.09657	3.6
161.13264	15.0
163.14853	2.5
167.08519	1.0
169.10146	3.0
171.11687	27.0
173.13245	4.8
175.14813	1.9
181.10130	1.5
183.11601	2.3
185.13206	2.3
189.12755	9.3
189.16400	1.6
190.30992	0.9
195.11714	1.4
197.13347	2.5
199.14868	1.4
201.16481	1.5
207.13809	24.6
225.14822	1.6
243.21135	1.5
253.21762	1.2
256.26379	5.8
257.26624	2.5
261.22256	4.3
281.17474	1.9
311.29553	3.4
312.29794	3.6
312.92578	1.1
317.25009	1.9
361.78262	1.0
449.34320	2.1
465.73627	1.0
467.35248	1.3
507.07190	1.0
523.38239	2.6
540.53577	3.7
541.38928	80.5
541.53247	19.7
542.39288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01863	3.1
55.05507	1.2
67.05502	1.9
69.03426	2.6
69.34110	6.4
79.05500	4.0
81.07055	2.8
83.04966	1.0
85.02894	1.3
91.05480	6.7
93.07045	3.3
94.83632	0.7
95.04972	1.6
98.21621	0.7
103.05473	2.7
105.07040	6.3
107.04974	2.0
107.08619	1.5
108.14949	0.7
109.10132	0.8
113.18336	0.8
115.05466	2.9
117.07047	4.4
119.04936	2.1
119.08585	3.9
121.06527	3.4
123.04419	0.9
128.06213	3.5
129.07022	6.2
131.04991	0.9
131.08574	5.8
133.06494	2.4
133.10173	1.1
134.53624	0.9
135.08022	1.4
137.05968	2.2
141.07018	6.0
142.07784	4.0
143.08563	6.3
145.06470	5.6
145.10185	3.7
145.83420	0.8
146.07228	0.9
147.08037	4.9
149.06020	1.3
151.07594	1.2
152.06242	1.5
153.07011	3.2
154.07767	5.1
155.04968	1.1
155.08551	9.8
156.09344	2.2
157.06516	2.9
157.10117	7.1
158.07280	2.4
159.08060	6.7
159.11713	1.5
161.06013	2.0
161.09602	2.2
162.33821	0.8
163.07574	1.2
165.05711	1.3
165.06999	6.5
166.07785	5.3
167.07185	1.5
167.08551	7.3
168.09395	3.3
169.06494	3.9
169.10118	10.7
170.07307	3.4
171.08032	6.9
171.11676	1.8
172.08691	1.0
173.06070	1.8
173.09653	5.7
175.03868	1.3
175.07553	5.3
178.07826	2.2
179.08575	4.2
180.09355	1.0
181.06525	2.2
181.10112	7.7
182.07275	3.4
183.08057	12.3
183.11693	6.3
184.08852	3.5
185.05997	1.7
185.09619	20.1
186.10077	0.8
187.07532	1.8
187.11217	3.1
189.09180	1.2
191.08577	1.2
193.06613	1.0
193.10100	5.9
194.07294	3.0
195.08009	5.7
196.08856	3.0
197.06035	1.1
197.09627	25.9
198.06927	0.9
198.10474	1.4
199.07632	1.3
199.11205	4.1
201.09106	4.0
203.10721	2.9
207.08116	1.7
208.08911	1.4
209.09636	21.6
210.10358	0.9
211.05824	1.1
211.07616	1.9
211.11200	13.8
213.09131	7.0
213.12770	2.0
215.10698	5.8
219.08057	1.8
220.08951	1.1
221.09642	4.0
221.11525	0.8
222.06824	1.4
222.10336	0.8
223.07680	0.9
223.11287	2.1
224.08260	1.3
225.09079	9.4
227.10648	4.4
229.08591	1.4
229.12161	3.6
231.10161	1.3
233.09633	1.1
237.09106	6.0
237.12909	1.2
239.10660	8.2
241.08704	2.2
243.10172	27.2
245.11818	1.1
251.10641	1.5
255.10106	4.9
257.11798	6.3
259.09677	1.7
267.10245	2.7
271.11288	1.0
273.13083	0.8
283.10812	0.9
285.11365	3.1
289.12329	1.5
298.13312	1.1
311.14072	1.6
314.13135	1.2
315.13983	1.0
337.15866	0.8
339.13733	1.1
362.17065	0.9
365.15411	0.9
395.20151	2.3
405.18509	2.0
408.17355	0.8
413.21234	2.0
423.19589	5.9
433.17880	0.9
441.20654	21.7
451.19022	3.9
459.21591	9.1
469.20178	8.8
477.22815	2.9
487.21173	71.0
488.21570	1.6
505.22226	100.0
506.22549	2.2
523.23602	0.9
540.27087	0.9
540.28564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01865	4.0
58.63638	1.2
61.12498	1.0
67.05492	3.1
69.03422	3.1
69.07087	1.4
70.97433	3.0
79.05492	2.9
81.03432	1.3
81.07060	4.1
85.02914	1.6
86.23267	1.3
91.05499	6.7
93.07032	2.6
95.04932	2.0
95.08604	3.0
103.05434	1.8
103.74867	1.1
105.07023	7.6
106.43415	1.1
107.04963	2.4
107.08591	2.1
109.02901	1.3
109.06494	1.6
115.05468	2.7
117.07024	5.9
118.14542	1.2
119.08590	4.5
119.17247	1.4
121.06505	2.8
123.04420	2.0
123.08035	1.2
127.03883	1.3
128.06223	4.3
129.06993	7.3
131.08592	5.8
133.06564	2.5
133.10132	2.0
134.69041	1.1
135.08090	2.0
137.05930	2.0
141.07001	5.5
142.07759	5.1
143.04851	1.5
143.08560	7.1
145.06497	4.8
145.10120	5.5
147.08066	5.4
149.05949	1.7
149.09631	1.7
152.06175	2.5
153.06987	4.1
154.07767	4.5
155.08556	10.1
157.06470	3.7
157.10138	9.0
158.07285	3.0
159.04533	1.2
159.08047	7.2
159.11653	2.2
161.05989	2.3
161.09642	2.8
163.07500	1.6
165.05580	2.1
165.07014	5.6
166.07735	5.5
167.08556	7.1
168.09256	2.8
169.06494	3.0
169.10139	11.2
170.07269	3.3
170.10873	1.2
171.08000	7.3
171.11620	2.0
172.08803	2.4
173.06050	1.9
173.09660	5.9
175.07605	3.3
178.07712	2.7
179.08598	4.8
181.06468	2.6
181.10133	8.2
182.07294	4.8
183.08083	12.0
183.11589	5.8
184.08774	1.8
185.09650	21.5
187.07550	1.7
187.11174	4.8
189.09023	1.3
191.08618	2.2
192.09172	1.5
193.10144	5.6
194.07225	2.6
195.08031	4.0
196.08859	4.6
197.09647	26.8
197.18901	1.3
199.07506	1.3
199.11183	3.6
201.09111	3.2
203.10646	4.4
206.07321	1.2
207.08067	2.0
209.09619	21.5
211.07617	3.7
211.11211	13.0
212.08366	1.3
213.09030	7.6
215.10681	4.8
221.09570	4.6
223.11145	1.6
225.09012	8.6
227.10675	4.0
229.08635	2.0
229.12289	4.4
232.08858	1.4
233.09587	1.7
237.09143	6.9
239.10707	7.8
241.08362	2.6
243.10165	32.2
245.11784	3.1
249.12723	1.4
255.10063	5.6
257.11694	7.6
267.10239	3.5
285.11084	3.3
285.13727	2.1
295.11105	1.5
395.20135	1.8
405.18259	2.1
413.21359	1.9
423.19547	4.4
431.22330	1.4
433.17801	1.3
441.20584	24.5
451.18756	4.3
459.21762	8.3
469.20065	10.0
477.22610	4.1
487.21198	84.1
488.21457	1.7
504.35913	1.5
505.22229	100.0
540.26904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53850	1.5
55.01863	4.7
55.05518	1.8
67.05511	3.3
69.03401	3.9
69.96170	3.2
69.96567	3.8
79.05493	7.5
81.07072	4.4
91.05491	13.3
93.07042	5.1
95.04955	3.7
95.08633	2.2
99.04430	1.8
103.05473	3.1
105.07046	16.0
107.08601	3.3
109.06503	1.6
115.05466	3.8
117.07022	7.6
119.04935	1.5
119.08583	6.9
121.06490	4.9
128.06247	8.5
129.07022	12.9
130.07828	1.7
131.04942	3.1
131.08609	12.0
133.06487	4.2
133.10074	2.8
135.04568	1.8
135.08012	3.5
135.11711	2.5
141.06989	14.4
142.07791	9.7
143.08588	12.7
145.06516	12.8
145.10138	6.5
147.04503	1.8
147.08051	8.7
149.06033	2.7
149.09615	1.7
151.07529	2.6
152.06284	2.8
153.06993	8.8
154.07802	6.8
154.22722	1.7
155.08562	21.0
156.09369	2.9
157.06512	4.2
157.10107	15.4
158.07352	1.8
159.08081	16.0
159.11697	3.4
161.05998	4.2
161.09673	4.7
165.06996	12.6
165.09076	2.1
166.07814	8.8
167.08571	9.5
168.09328	7.0
169.06497	7.1
169.10107	13.2
170.07256	5.4
171.08072	12.2
171.11670	5.5
173.05975	3.6
173.09663	8.6
175.07535	4.9
178.07780	5.5
179.08559	7.6
180.09306	1.8
181.06497	7.0
181.10136	18.4
182.07271	7.1
183.08099	25.3
183.11636	11.2
184.08838	6.3
185.06065	2.7
185.09625	26.2
187.07549	3.7
187.11214	8.5
189.09109	3.0
190.07764	1.8
191.08580	3.8
193.10173	11.0
194.07286	4.1
195.08113	7.8
196.08815	8.4
197.05927	2.6
197.09627	31.3
198.10399	1.6
199.11240	12.7
201.09106	6.1
203.08696	1.9
203.10706	3.2
205.10255	4.0
206.07260	3.0
207.08057	4.1
207.11662	2.1
208.08817	1.8
209.07729	3.4
209.09631	51.8
210.10341	2.9
211.07698	2.8
211.11217	31.4
212.08403	1.7
213.09129	10.5
213.12747	1.7
215.10704	8.7
216.09250	2.0
219.07851	2.2
220.08803	2.0
221.09599	9.7
223.11099	3.6
224.08340	2.2
225.09169	10.1
225.12663	2.8
227.10696	14.0
229.08646	4.7
229.12265	5.8
231.10080	2.8
235.11229	4.1
237.09122	11.9
239.10696	22.0
241.08676	2.9
241.12250	2.3
243.10181	33.8
245.11774	7.5
247.11293	2.2
248.11926	1.8
249.09001	4.1
251.10638	2.6
255.10149	10.4
257.11731	24.9
263.10687	2.1
265.12311	2.8
267.10181	2.7
269.11789	4.8
271.11102	2.3
273.11142	2.0
275.12808	3.3
275.76944	1.7
277.05106	1.6
277.12387	2.4
286.33926	2.0
288.14899	1.8
301.15982	2.1
311.14053	2.4
351.17514	2.0
359.16174	1.8
367.16995	2.2
369.18710	3.2
377.19089	1.9
395.20224	5.3
413.21167	5.2
415.90637	1.8
423.19745	14.0
441.20605	35.9
451.19058	10.1
459.21768	29.9
469.20181	18.0
477.21924	2.4
487.14050	2.8
487.21201	79.8
505.22256	100.0
506.22089	2.9
523.23370	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
60.95394	2.3
69.59980	10.5
69.60403	5.1
73.02905	2.5
78.82429	2.2
80.71810	2.2
81.07047	4.0
91.05476	6.2
98.20756	4.2
103.05512	3.0
105.07042	8.4
107.04927	3.2
115.05426	3.2
117.07053	2.4
121.06525	7.3
129.06946	2.6
133.06480	9.1
137.05977	8.1
145.06557	2.8
151.07584	8.0
153.05531	2.5
155.14125	2.2
159.08075	2.5
161.06001	12.6
163.07472	2.9
167.07053	17.2
175.03918	3.2
175.07530	5.1
177.09119	100.0
181.08594	7.8
189.09196	6.4
193.08607	45.9
195.10155	3.0
207.06516	4.5
221.11713	17.8
268.06180	3.2
294.26086	2.2
343.15344	4.0
361.16541	17.4
490.66327	2.7
540.24603	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.5
62.73596	0.8
66.21719	0.8
69.03417	2.8
69.84889	3.7
69.85310	1.5
69.98925	1.0
79.05480	1.1
85.02912	7.2
89.86415	0.9
91.05492	7.4
94.04180	1.0
95.04964	2.3
97.02868	1.9
103.05528	1.0
107.04956	1.9
109.06494	1.3
113.53359	0.9
119.04948	7.4
121.06490	2.4
122.03640	2.1
127.03931	1.5
129.06978	5.2
131.04892	3.2
132.44658	0.9
135.08002	2.1
136.05179	1.2
137.05984	32.0
145.04948	1.3
145.06474	1.3
149.05992	5.4
151.04004	1.1
151.07550	42.7
157.06497	4.1
161.05997	4.9
163.07573	12.6
165.06949	1.8
165.09171	1.9
167.07227	1.3
167.08592	5.4
174.06784	2.5
175.07585	2.8
177.09085	3.5
189.09135	14.8
193.06537	2.5
193.10132	1.5
195.08070	8.0
207.10147	3.5
209.09657	1.5
210.06752	2.0
212.08301	1.8
221.05972	3.2
221.09586	4.6
223.07581	5.0
224.08176	1.1
225.05629	1.0
225.09076	3.9
227.10663	14.1
237.09154	2.1
238.06207	2.0
240.07889	1.3
241.08189	1.1
241.12204	1.5
249.09192	1.9
253.08669	5.2
253.12277	8.3
255.10233	12.7
266.09192	1.0
267.10165	1.6
269.08069	1.4
281.11664	2.8
285.11273	7.8
287.12790	28.0
299.13040	1.0
301.14560	1.2
313.14349	23.6
331.15411	100.0
332.15753	2.5
343.15414	3.0
459.10684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
71.56578	0.9
73.02908	0.6
75.68299	0.5
78.96536	0.5
80.57703	0.6
91.05495	1.2
93.07040	0.6
115.05472	0.8
128.06282	1.0
129.07028	4.6
131.04935	0.9
131.08594	4.3
132.14371	0.6
137.05978	1.9
141.06996	3.7
144.05740	0.8
157.06506	3.9
158.07275	1.5
159.08046	5.0
164.07132	0.8
167.07054	2.6
167.08408	0.5
169.06523	1.8
170.07298	1.0
171.08089	0.6
174.06776	10.7
175.07526	2.5
178.08644	2.0
186.06827	2.7
187.07594	0.8
189.09123	20.2
191.10724	1.6
192.10213	0.6
201.09129	7.2
219.10184	100.0
220.10602	1.2
233.06001	0.8
235.07411	0.9
236.07921	1.3
237.08633	0.8
237.11153	1.2
249.11253	2.4
265.08594	1.2
266.08862	1.1
267.09244	0.8
297.10422	0.9
320.10068	0.6
459.66675	0.6
523.18835	3.3
540.25525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20589	0.5
57.03432	1.1
71.57784	0.9
73.02909	0.6
79.05436	0.7
85.02898	1.4
91.05475	2.4
103.05440	0.7
115.05449	1.2
116.06174	0.5
119.04957	1.6
121.06498	1.4
128.06241	0.9
129.07027	5.4
131.04897	2.1
131.08586	5.5
135.08084	1.0
137.05981	6.6
141.07036	3.9
144.05661	0.7
149.05954	1.6
151.07553	8.2
157.06506	4.5
158.07278	1.7
159.08069	6.2
160.05296	0.6
161.06017	1.1
161.09612	0.9
163.07561	2.4
167.07040	2.4
167.08508	1.3
169.06516	2.2
170.07303	1.4
171.08134	1.0
174.05406	1.1
174.06793	11.8
175.07571	3.1
177.09215	0.7
178.08632	0.7
186.06755	2.7
187.07431	0.7
188.08368	0.7
189.09125	26.7
191.10680	1.8
191.93298	0.5
193.06589	0.8
193.10077	0.6
195.08054	1.8
201.09114	8.4
203.10736	0.7
207.10229	1.1
219.10185	100.0
220.10576	1.6
221.06062	0.6
221.09604	0.8
223.07664	0.6
227.10692	2.3
237.11246	1.8
251.10985	0.6
253.08630	1.0
253.12263	1.6
255.10197	2.1
285.11148	1.2
287.12839	5.1
311.74109	0.7
313.14355	4.4
331.15451	13.1
351.45493	0.7
402.19250	1.0
540.25586	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	540.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30407	0.9
53.03935	1.9
53.66591	0.7
55.01876	0.9
55.05512	2.2
57.03440	10.9
57.27433	0.8
59.51178	0.7
61.02929	1.4
65.85677	0.7
69.03433	2.9
70.89944	1.2
70.90292	1.5
71.01321	1.0
71.05000	81.6
73.02923	1.7
75.04490	4.8
80.15281	0.8
81.03404	1.0
83.04996	9.8
85.02911	100.0
86.68819	0.7
87.04471	2.7
88.12086	0.7
91.05494	5.5
93.07072	1.6
97.02907	3.6
98.20885	0.8
99.04462	2.6
103.05483	1.1
105.07046	1.0
111.04431	5.5
119.04955	5.2
121.06515	7.3
126.49232	0.9
127.03920	3.8
129.05490	51.6
134.06058	0.9
137.06003	1.6
144.06619	1.2
145.04974	2.5
146.08063	1.2
147.04518	3.9
147.06528	22.7
153.07005	1.6
158.29433	0.8
161.05922	0.9
162.07620	2.7
163.06036	0.9
164.09189	6.4
171.08127	2.1
174.73680	0.9
175.03903	8.0
177.05486	1.0
179.07089	1.7
180.08701	2.1
183.11697	0.9
197.05983	1.8
197.09619	0.9
205.04883	1.0
207.06566	15.7
211.11211	1.9
213.09171	1.1
215.07080	5.8
222.07610	2.6
239.10724	0.9
245.11351	1.0
255.08707	1.1
275.12845	1.2
300.72534	0.9
326.14447	1.1
333.19662	0.8
342.13367	10.0
344.14905	1.7
355.62491	0.8
357.18817	0.8
505.22214	7.3
562.70831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89448	1.2
53.03940	1.9
55.05511	3.1
57.03432	4.3
63.05099	1.2
63.30233	1.2
63.38837	1.4
63.53686	1.2
66.48904	1.3
67.05507	1.7
69.03426	2.6
69.07067	2.5
69.28194	12.7
71.04996	39.6
74.55878	1.2
75.04475	3.6
79.05495	16.0
81.07044	3.3
83.04980	9.0
85.02908	63.3
87.04498	1.6
91.05484	9.4
93.07044	41.6
93.07629	2.2
95.04987	3.5
97.02891	4.1
105.07014	2.5
107.08603	28.5
108.32939	1.3
109.02848	2.3
109.06504	2.0
111.04453	5.2
119.08605	2.6
121.06525	1.5
121.10097	1.5
123.04456	1.4
124.07599	3.2
127.03901	6.2
129.05481	27.8
131.08549	1.3
133.10130	3.0
135.11700	100.0
137.06039	1.7
145.10204	1.7
147.06535	19.1
149.06012	1.9
151.07472	1.5
164.07149	1.6
164.09169	1.7
167.06950	1.9
178.08592	1.3
187.07657	1.4
191.14397	1.3
192.07750	1.5
234.46535	1.5
234.48726	1.4
235.07533	1.4
254.31509	1.3
255.08549	3.5
263.16531	1.5
265.08594	1.7
273.09732	2.9
276.62427	1.8
281.17526	2.5
285.13623	2.2
285.63733	2.3
299.32193	1.3
309.11761	5.1
353.47296	1.3
366.94757	1.5
556.59546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3432
Annotation	Virenamide A
Peak:m/z	Relative Intensity
52.39772	7.5
55.05503	21.9
55.74070	7.6
57.48365	9.3
61.06437	7.2
67.05504	28.7
69.07061	34.5
70.03655	39.6
75.04099	8.1
79.05483	14.4
81.07063	100.0
83.08625	13.7
85.02917	8.6
85.06522	11.4
93.07089	48.7
95.08614	60.3
97.06498	8.5
97.10178	23.3
105.07035	16.9
107.08592	37.0
109.06505	9.9
109.10165	26.5
111.08094	16.1
111.11726	17.7
121.10159	30.7
123.11718	56.1
127.03854	9.0
133.10068	12.7
135.11711	10.3
137.05946	10.2
137.13283	23.1
139.11182	24.8
145.10110	11.4
147.11723	12.6
149.13257	38.4
157.12248	24.6
159.11656	10.7
167.07083	11.0
171.13803	9.4
181.04880	11.6
187.13309	25.8
293.24869	18.7
305.24765	54.2
323.25888	40.2
359.28085	9.7
456.18365	10.8
457.44955	8.6
501.80576	9.3
539.29364	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	538.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.5
56.76680	2.2
65.10551	2.6
67.05492	5.1
69.03420	6.4
69.74737	12.1
70.62288	2.1
72.81051	1.9
79.05492	6.9
81.03411	4.9
81.07053	4.9
91.05482	15.6
93.07019	5.5
95.04966	5.0
105.07047	14.1
107.04992	2.3
109.02923	2.3
111.72815	2.1
115.05447	5.4
117.07008	12.0
119.04974	2.8
119.08578	7.5
121.06493	7.4
123.10646	2.3
128.06229	8.2
129.06995	11.8
131.04955	3.9
131.08554	10.6
133.06470	4.6
133.10126	2.8
140.54147	2.3
141.07005	9.0
142.07727	7.3
143.08592	15.4
144.05780	2.7
145.06480	23.2
145.10132	6.1
147.08075	12.2
147.44725	2.3
152.06213	5.5
153.07014	7.8
154.07761	8.4
155.08582	21.1
157.06499	6.8
157.10141	7.8
157.65872	2.5
158.07333	5.3
159.04446	3.9
159.08070	10.5
161.05974	8.7
161.09587	2.3
163.07513	6.9
165.07019	7.7
166.07790	6.1
167.08574	12.7
168.09329	5.5
169.06487	6.6
169.10126	13.6
170.07286	6.2
171.08107	13.1
173.06029	12.0
173.09677	10.9
175.07535	7.5
178.07771	7.1
179.08611	6.4
180.09227	2.5
181.06467	3.9
181.10085	6.4
182.07285	7.9
183.08080	18.0
183.11713	3.2
185.06030	2.5
185.09662	39.7
187.07547	7.0
187.11182	4.7
189.09134	4.0
191.08606	2.9
193.10130	13.8
194.07356	3.2
195.08072	12.9
196.08824	6.2
197.05896	3.1
197.09605	29.0
198.10133	2.2
199.07579	6.8
199.11128	8.5
201.09053	11.7
205.06548	2.1
205.08647	3.1
207.07964	4.4
208.08789	3.9
209.09491	11.4
211.07541	7.6
211.11179	14.6
213.09123	18.5
213.12616	2.7
215.10757	6.7
217.08556	3.9
219.08046	2.7
219.10107	2.5
221.09586	8.5
223.07492	4.5
223.11150	2.9
224.08322	2.5
225.09036	12.1
227.07039	4.5
227.10654	7.1
229.08557	13.2
229.12355	4.4
235.11172	3.8
237.09082	4.7
239.10690	17.5
241.08643	5.4
241.12065	2.9
243.10187	31.7
249.09279	2.5
253.08601	7.0
255.10121	3.5
257.11792	28.1
259.09360	3.4
267.10168	13.0
269.11539	4.8
285.11169	56.5
286.69025	3.1
339.13458	2.8
393.18448	3.2
413.17609	2.7
421.17926	8.2
439.19086	35.3
443.22253	3.3
457.19885	8.2
467.18683	12.7
471.21588	5.4
485.19565	41.0
486.19977	2.6
489.22821	32.5
503.20712	100.0
521.21527	6.5
538.27814	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	538.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
51.75167	0.8
53.03940	2.3
55.01872	1.2
65.03944	1.3
67.05521	1.2
68.37724	0.8
69.07104	0.9
70.16742	2.4
77.03967	0.9
77.62169	0.9
78.04701	1.3
79.05505	4.5
80.81384	0.9
81.03420	1.0
81.07056	3.3
86.78333	0.8
89.03917	2.3
91.05480	18.7
92.02632	1.0
92.38065	0.9
93.07053	14.4
95.04971	6.5
98.21505	0.8
102.04659	1.0
103.05476	17.7
103.64828	0.8
104.06253	3.7
105.03432	1.2
105.07047	7.3
106.04190	2.2
107.04957	7.8
109.06545	1.6
109.10060	1.0
115.05479	2.6
117.03415	3.8
118.04153	1.3
119.04961	5.8
120.02093	7.5
120.05732	1.7
121.06513	55.6
121.10067	0.8
122.03648	1.2
123.04411	1.7
131.04942	28.2
132.05725	32.4
133.02878	6.1
133.06503	5.4
134.03670	1.1
134.06026	1.1
135.04443	7.1
136.07533	3.4
137.05980	6.6
138.09155	1.9
139.03912	0.9
145.02829	2.8
146.03586	0.8
147.04440	4.1
148.01549	4.8
148.05191	3.3
149.06027	7.2
151.03902	1.4
151.07562	2.2
152.07083	0.8
153.05515	1.1
154.06265	1.8
159.04465	1.7
159.11688	1.3
160.05206	16.6
161.02379	3.8
161.05994	21.5
162.03156	1.1
162.06789	2.0
163.03920	67.2
163.07542	4.6
165.05505	6.1
167.07039	15.5
175.03935	1.3
175.07603	1.0
176.04729	0.9
177.04236	1.0
177.05489	22.2
179.07054	14.8
180.06511	1.3
180.07846	14.9
181.04994	2.1
181.08603	5.1
182.09418	4.7
185.02362	2.0
191.03438	16.0
191.07045	29.7
191.08762	1.6
192.07829	100.0
193.05058	4.9
193.08641	9.2
207.06522	1.8
208.06061	7.1
209.06284	1.5
209.08104	17.1
210.08823	8.8
217.04990	3.3
222.51163	0.9
225.07445	1.7
226.28824	0.8
229.04915	1.1
233.06024	0.9
234.06987	1.3
247.05901	1.8
261.05356	1.2
262.06354	0.9
290.05725	0.9
291.06464	1.0
301.05881	1.3
323.09131	1.2
328.11838	10.1
333.07654	1.0
335.41162	0.9
351.08646	38.9
352.08890	1.3
371.11383	4.8
383.11276	42.2
401.12335	12.3
488.17151	1.8
514.42480	0.8
520.36487	1.7
538.20709	10.9
538.36670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3274
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
50.45089	3.7
55.01884	4.9
55.05513	45.9
57.88502	3.8
63.68235	3.4
64.88952	3.7
65.03928	4.0
67.05511	22.3
69.03429	11.9
69.07070	32.0
69.88197	21.3
70.06586	5.1
71.04983	12.2
73.02912	4.0
79.05498	19.1
81.07056	67.0
83.04967	8.7
83.08638	8.8
85.02902	14.1
85.06548	6.7
91.05481	16.7
93.07045	33.8
93.13224	4.5
95.04970	9.4
95.08616	63.4
97.02919	7.5
97.06509	6.5
97.10183	100.0
99.08149	6.9
103.05491	4.7
105.07036	28.6
107.04975	8.3
107.08602	32.6
109.02886	5.9
109.06525	10.2
109.10165	30.8
111.08125	6.6
111.11813	4.6
117.07135	4.0
119.08584	23.3
121.06482	8.3
121.10143	33.0
123.04417	12.9
123.08076	14.9
123.11713	27.6
124.08421	5.3
125.09603	22.7
127.03934	7.7
129.07053	4.3
131.04878	4.2
131.08545	4.5
133.10133	16.0
135.08018	5.4
135.11707	12.2
137.05907	10.8
137.09604	6.4
139.03918	8.5
139.11232	8.3
143.08589	6.7
143.10651	33.6
145.10114	12.8
147.04367	4.2
147.11697	18.3
149.05992	5.9
149.09673	6.3
149.13304	9.1
151.04041	5.4
151.07545	6.3
151.11192	5.6
157.10077	5.3
159.11685	15.3
161.05942	3.9
161.13278	7.0
163.14885	5.4
165.12825	4.9
167.06952	20.1
171.10243	6.5
175.14905	7.0
177.05449	4.8
177.16403	4.6
179.14360	5.4
181.04897	6.7
185.45735	4.6
189.09109	5.1
189.11209	12.2
203.10686	5.4
223.16968	5.6
264.07416	4.5
285.22064	7.8
291.23135	6.3
303.23145	33.2
309.24255	16.1
310.07950	14.8
321.24216	68.7
327.25317	4.9
339.25281	32.5
359.28262	4.7
400.70743	4.0
537.26721	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	538.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.6
63.32673	1.3
69.03491	1.4
69.12878	1.4
69.63596	10.4
73.44791	1.3
91.05489	4.8
93.07039	2.2
95.05005	3.1
98.20783	1.7
103.05488	4.8
107.05031	2.6
121.06551	4.0
123.04448	3.7
124.05241	2.0
131.04921	2.3
137.05998	3.2
147.04410	2.3
149.05988	7.4
153.05501	1.7
155.07079	1.8
165.06950	1.8
167.07059	34.1
167.08430	2.9
177.05484	6.8
177.07039	8.4
178.08640	4.8
179.08549	8.9
189.07034	5.7
191.08580	4.5
194.05727	1.9
194.07327	7.1
205.06516	34.3
206.07417	3.0
207.06233	3.4
207.08080	46.9
209.08060	3.8
209.09781	3.0
217.06407	1.9
218.07230	1.5
219.08069	4.9
222.06802	19.4
223.07448	2.2
233.05992	28.0
234.06706	3.4
235.07559	86.4
236.08281	3.5
237.09128	43.7
247.07643	2.1
250.06277	11.3
251.07143	6.7
252.07825	4.9
259.07285	1.7
261.09155	7.7
263.07095	8.2
264.07779	10.2
265.08621	100.0
266.09033	2.8
278.08972	1.7
279.06641	5.1
280.07352	7.4
281.08160	3.5
288.07870	1.8
289.08640	20.1
291.10376	3.9
293.08105	32.0
294.08862	10.1
295.09662	57.2
296.10403	2.4
303.06531	3.2
304.07410	15.4
307.09628	4.3
310.10861	7.4
318.09027	11.2
319.09601	30.1
331.09604	11.9
349.10779	15.7
453.13461	1.9
455.14944	2.3
485.15839	4.1
503.17538	2.7
521.18103	96.4
538.20648	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	537.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.5
55.01860	13.6
55.05497	21.9
65.03928	11.9
67.05515	36.7
69.03414	25.3
69.07079	41.8
69.91112	11.7
69.91515	20.1
71.04981	15.1
79.05492	33.2
81.03411	14.2
81.07059	100.0
83.04982	11.0
85.02901	18.9
85.06554	8.1
91.05452	30.6
93.07056	56.4
95.04974	33.2
95.08608	63.5
97.02876	11.4
97.06525	13.0
97.10151	16.7
99.04441	7.8
103.05490	15.5
105.07029	42.8
107.04985	13.9
107.08588	49.3
109.02869	6.5
109.06508	15.9
109.10182	39.8
111.08046	9.8
119.04948	7.4
119.08534	15.4
121.06491	21.9
121.10139	36.4
123.04425	14.7
123.08061	8.4
123.11705	36.2
125.09681	10.7
127.03954	31.2
129.06996	11.0
131.04907	11.1
131.08583	15.6
133.02820	7.6
133.10121	14.2
135.08037	10.6
135.11702	25.6
137.05949	30.6
139.03906	17.8
139.11218	9.3
143.08557	8.6
145.02936	7.4
145.06500	11.6
145.10129	22.1
147.04407	19.1
147.11679	24.7
149.13232	9.7
151.03854	19.8
151.07510	8.9
151.11101	7.1
153.05466	12.0
153.12762	14.3
157.10165	7.8
159.08078	13.6
159.11682	13.3
161.05898	11.1
161.13252	9.8
163.03865	8.4
163.11165	13.6
167.07053	18.4
169.05022	9.7
171.08009	7.8
175.03793	6.9
175.07433	11.1
177.05461	10.1
181.04938	15.7
187.07471	9.8
187.13255	11.6
187.14775	7.2
193.08629	10.6
195.17549	7.2
199.07765	7.4
207.06407	8.4
235.07684	7.9
246.08627	7.3
246.96288	7.3
253.91306	7.5
263.07144	8.5
265.08917	9.7
275.23624	8.1
276.07965	7.1
279.23215	35.2
291.10257	7.8
293.24640	10.6
294.08704	10.4
297.24161	17.6
303.23254	45.5
321.24203	25.1
326.07520	7.3
339.12021	14.0
339.25284	6.5
473.41779	7.1
493.50070	6.9
504.71188	7.5
519.18982	9.1
537.26459	31.5
550.98523	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	536.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31495	0.3
65.03938	1.1
69.72475	1.0
69.72887	0.7
69.75758	0.3
70.78673	0.3
77.03914	0.5
89.03931	0.5
91.05485	20.7
92.58279	0.3
95.04980	0.8
103.05482	0.4
105.03409	0.5
114.98130	0.3
117.51885	0.3
119.04948	30.5
129.03339	0.4
131.04936	0.4
132.02068	1.0
133.02898	0.4
135.04442	0.5
136.05174	0.5
137.06018	0.7
142.11380	0.3
145.02870	0.6
147.04414	22.7
149.02368	0.5
151.07541	5.6
151.08662	0.5
157.03938	2.3
160.01549	0.3
164.04745	0.5
167.06946	0.6
168.10167	0.4
175.03914	44.0
178.08614	1.0
179.07036	2.2
185.59836	0.3
192.04214	0.6
207.06537	100.0
208.06903	0.8
268.10925	0.4
285.13736	0.5
298.26395	0.3
330.39908	0.3
353.85068	0.4
374.16013	19.4
496.45560	0.3
536.20496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82611	3.2
70.48349	7.1
70.48746	8.7
71.04977	8.0
74.06085	24.6
76.02225	8.2
81.03420	5.2
84.04490	5.6
85.02882	5.3
98.06049	3.3
98.20787	4.3
99.04448	8.5
107.04963	74.7
107.08532	5.0
115.05412	7.1
116.01720	3.7
116.07080	8.3
120.06575	10.6
121.10187	3.6
123.11567	4.2
131.04871	3.8
137.05989	8.2
142.03258	4.5
143.04913	13.3
144.06573	14.2
162.02184	6.9
162.07613	7.7
175.07527	9.3
178.08591	4.7
179.04897	5.5
187.07565	3.8
209.09575	4.5
227.16371	7.7
228.16664	4.4
237.09093	7.6
269.11725	22.6
286.14392	100.0
288.10699	4.4
306.11844	9.4
308.09113	10.4
461.88977	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01880	3.9
55.05501	7.5
67.05505	23.3
69.07076	12.1
71.04993	9.1
71.10895	5.3
77.55381	2.2
79.05489	11.0
81.07054	33.1
83.04977	3.1
83.08643	7.2
85.06553	8.1
91.05460	26.2
93.07055	65.3
95.04980	7.3
95.08613	36.5
97.06557	5.1
101.06035	7.4
105.07041	59.0
105.80888	3.1
107.08604	38.8
109.09459	4.7
109.10168	74.0
111.08088	21.4
113.09595	4.4
117.07043	7.8
119.08590	58.6
121.06470	3.7
121.10159	37.6
123.11671	7.1
125.09627	17.2
127.11198	39.5
128.06406	3.1
131.08607	14.0
133.10149	23.0
135.11713	5.5
137.09714	4.8
139.11197	4.4
143.08623	6.4
145.10146	45.3
147.11705	16.5
149.09576	2.6
149.13332	5.6
151.24557	2.9
157.10146	6.1
159.11714	51.7
161.13271	100.0
163.11168	6.4
167.05602	6.2
173.13309	13.4
175.14859	13.3
177.12756	5.3
177.16414	9.1
179.14288	5.7
182.92563	2.7
183.11656	4.5
185.13203	3.1
201.16394	67.0
203.17990	3.0
219.17471	83.1
233.15173	3.4
234.69305	2.7
237.18541	32.8
239.09525	3.1
257.42969	3.5
299.06268	9.9
536.26825	5.8
544.00201	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	48.7
55.18848	4.7
57.03431	7.3
57.07077	27.7
58.06607	5.6
67.05507	50.9
69.03441	10.6
69.07069	74.3
69.43432	28.7
70.06595	5.1
71.04991	8.6
71.08627	14.7
74.09718	13.5
79.05493	33.3
80.45164	4.0
81.03423	17.9
81.07055	82.6
82.88835	3.9
83.05005	5.4
83.08624	54.9
85.02900	15.5
91.03974	4.9
91.05448	11.0
93.07049	45.5
95.04951	6.9
95.08615	88.4
97.02857	8.3
97.06548	15.3
97.10165	32.8
99.08107	4.7
105.07037	14.9
107.08606	34.4
109.06512	4.4
109.10158	45.0
111.08089	7.3
111.11743	12.6
117.06984	6.0
119.08576	23.3
121.10137	55.7
123.11726	13.3
127.03902	9.3
131.08609	9.1
133.10167	5.4
135.11700	42.6
137.09624	5.6
137.13269	7.3
139.11299	5.8
143.08633	6.3
145.10138	9.5
147.11731	12.4
149.13255	21.8
151.14812	5.7
157.10150	6.5
159.11717	13.3
161.13226	9.2
163.11316	5.3
163.14796	7.5
165.09164	6.6
167.05598	10.2
171.11710	5.7
173.13341	8.6
183.10196	21.0
183.11588	5.0
185.13271	4.5
191.18074	6.2
201.16353	9.3
247.24168	37.4
265.25272	100.0
271.20859	4.7
283.26288	15.9
299.06158	18.1
339.28986	65.4
357.29916	23.5
361.55646	4.8
373.27405	20.0
385.32205	5.1
391.28513	15.4
409.29507	18.1
427.30478	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
54.38518	0.5
55.05264	0.6
55.05511	8.6
56.04821	0.5
56.05041	4.9
57.07073	3.5
58.06583	1.0
60.04528	4.4
65.03947	0.9
67.05183	0.9
67.05509	14.5
68.05019	1.5
69.07069	8.7
70.06562	1.7
71.08621	2.1
71.42587	0.7
79.05496	12.3
80.05023	3.5
81.05785	1.8
81.06582	0.7
81.07059	12.4
82.06587	7.7
83.08630	4.6
84.08133	0.5
85.10189	0.8
86.06029	0.6
89.25320	0.5
91.05486	10.4
93.05775	0.8
93.07050	10.9
94.06571	21.4
95.04952	1.6
95.07351	9.8
95.08612	9.9
96.08138	5.1
97.06533	0.5
97.10181	2.6
98.06065	0.7
100.07632	0.8
102.43775	0.5
105.04515	0.6
105.07029	6.2
107.07333	0.5
107.08598	5.5
108.08113	3.7
109.10159	3.4
111.11703	0.9
119.08585	7.1
121.08863	0.6
121.10155	6.3
122.09675	3.1
123.11706	1.8
133.10155	4.4
135.10432	0.9
135.11697	3.8
136.11220	1.1
137.13252	1.0
137.35883	0.5
140.10683	0.6
147.11687	1.3
149.13269	1.0
161.13354	0.8
163.14865	0.9
191.17970	0.8
219.21107	0.8
224.17284	0.4
233.22626	4.6
234.22247	0.5
245.22685	4.5
250.25314	10.4
254.24843	0.9
260.23669	0.6
262.25311	100.0
272.25876	5.6
280.26358	10.4
319.94833	0.4
504.47714	2.7
516.47913	7.0
534.49048	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	535.2752
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01849	2.4
55.05497	7.8
57.03451	2.2
57.07073	3.1
60.22107	2.0
67.05515	15.0
69.03419	7.9
69.07060	9.6
70.76992	5.5
71.04996	6.2
77.08896	1.9
79.05497	4.9
81.07063	20.2
83.04971	7.8
83.08616	7.4
85.02911	17.0
85.06555	4.5
91.05468	4.8
93.07033	11.5
95.04987	3.6
95.08604	29.1
97.02887	4.5
97.06548	2.8
99.08086	5.2
105.07030	7.4
107.08603	22.1
109.06499	7.2
109.10161	99.0
111.08096	3.6
119.08591	38.9
121.10151	12.4
123.08076	10.5
123.11714	8.8
127.03917	3.2
131.08540	3.5
133.10129	25.9
135.11699	99.2
136.44597	2.3
137.05977	2.2
137.09633	15.6
147.11653	2.2
149.13222	6.7
151.07497	2.8
151.11145	8.9
151.14789	13.1
161.13322	2.2
165.16380	3.0
175.14836	43.4
191.14197	2.9
193.15884	75.5
208.09639	3.6
209.15205	3.0
211.16949	100.0
218.17197	2.3
265.08276	2.1
274.39441	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85635	3.7
55.05515	20.5
56.95308	3.9
57.07064	12.9
59.46135	3.8
60.08142	4.2
61.02929	4.8
65.92587	4.3
67.05167	5.2
67.05511	69.3
69.07078	30.0
69.81669	24.2
71.07360	4.0
71.08638	4.4
72.86816	3.9
76.14460	3.7
79.05495	22.2
81.07063	100.0
82.96499	3.8
83.08622	19.4
86.09704	11.9
91.05471	21.8
93.07040	29.3
95.04914	4.4
95.08617	76.2
97.02892	6.2
97.06547	9.2
97.10169	15.4
99.08078	5.1
104.10754	25.3
105.07039	14.5
107.08586	16.3
109.10171	48.1
111.11712	5.3
115.44760	4.2
119.08616	20.8
121.10142	21.2
123.11708	16.7
124.99998	7.2
133.10138	21.3
135.11705	14.0
137.09596	6.3
137.13272	10.3
145.10117	6.8
147.11688	14.2
149.13297	9.3
151.14879	5.4
159.11725	4.9
161.13235	20.1
163.14806	12.6
165.16409	10.1
173.13324	4.9
175.14821	10.3
177.16464	3.6
179.10919	4.2
179.17953	7.2
184.07330	18.0
245.22676	62.9
263.23730	80.6
287.85233	4.4
337.27414	59.0
534.35669	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.2
57.03434	4.3
57.07069	11.0
60.02129	2.3
61.02924	3.9
65.03946	3.4
67.05508	90.6
69.03428	7.7
69.07070	30.6
71.05019	2.9
71.08636	4.4
71.18438	5.9
73.02919	2.7
79.05488	32.6
79.19671	2.5
81.03410	10.9
81.07061	100.0
83.04980	4.6
83.08640	20.1
84.32431	2.5
84.91142	2.5
85.02917	8.6
85.06523	3.5
91.05486	21.9
93.07051	35.2
95.04960	4.9
95.08612	84.0
97.02901	7.3
97.06535	10.2
97.10155	13.7
99.00550	3.2
99.04451	3.6
99.08082	4.6
105.07038	21.5
106.02402	2.3
107.08595	19.3
107.53629	2.7
109.06535	3.4
109.10160	32.6
113.09621	3.0
117.07018	8.1
119.08586	16.5
121.06512	3.4
121.10146	23.9
123.11735	18.5
127.03913	4.0
131.08578	9.4
133.10127	15.5
135.08141	2.6
135.11703	14.3
137.09654	2.8
137.13234	7.6
141.12762	5.0
145.10138	3.8
147.11668	11.6
149.13252	12.0
151.11252	3.0
151.14835	6.3
159.11664	5.2
161.13258	13.1
163.14841	11.8
165.12761	2.7
165.16455	7.4
175.14845	9.3
177.16331	2.7
179.17935	3.5
187.14824	3.2
189.16393	5.9
201.16400	2.5
227.20132	7.7
245.22685	46.7
258.63736	2.4
263.23727	54.4
298.94516	2.4
337.27353	26.2
343.26147	3.4
353.24707	5.3
371.25806	17.2
389.26840	5.3
407.27924	13.9
425.29071	5.1
500.04193	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	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
53.91506	0.6
69.03418	1.3
69.61778	4.5
71.04990	0.9
71.98415	0.7
75.04459	0.6
79.05494	0.9
81.07075	0.7
83.08656	0.7
85.02912	1.3
91.05500	3.6
93.07053	3.7
95.04958	0.9
100.11248	2.2
103.05471	2.6
107.04965	2.8
107.08597	0.8
109.06528	3.8
109.10159	1.6
111.04432	0.7
111.34614	0.6
119.04958	0.7
119.08624	0.7
119.20060	0.6
121.06514	16.0
121.10159	1.4
123.08066	0.7
124.51639	0.7
129.05473	1.0
129.07021	0.8
129.97398	0.7
131.08563	1.3
133.10104	1.0
135.08058	1.2
147.08060	0.7
149.09673	0.8
155.65001	0.6
156.05721	2.1
157.06438	0.9
158.07259	1.4
164.07132	3.1
165.07057	1.4
167.07092	3.8
177.05528	0.7
178.05025	2.6
178.07730	0.8
179.08568	0.9
180.09377	0.8
189.07010	1.8
190.07726	3.8
190.33258	0.8
191.08612	3.1
191.14284	3.1
193.06476	1.0
194.07291	0.9
195.08055	1.0
202.07834	1.5
203.08563	2.3
204.10251	1.6
205.06592	1.3
205.10185	1.8
206.04501	3.7
206.07234	3.2
207.08090	2.6
208.08861	11.7
209.15421	2.7
211.92596	0.7
215.08629	2.0
217.06670	1.0
217.08566	6.5
218.07254	8.0
219.08054	19.6
220.08826	1.8
221.06001	8.3
221.09589	3.9
222.06725	1.2
223.07487	1.7
223.11234	2.3
231.08116	2.2
232.08847	2.0
233.06158	1.1
233.09589	7.2
234.06731	3.7
235.07573	7.1
236.08328	15.9
237.09151	1.6
238.06126	0.8
246.06731	3.3
247.07559	18.3
248.08348	9.2
249.05481	11.7
249.09175	4.6
250.06198	1.6
250.09846	1.1
251.07062	1.1
251.07945	0.9
251.10678	9.4
253.08545	3.5
261.09174	4.3
262.06201	2.0
262.09882	1.5
263.07007	6.8
264.07831	56.1
265.08621	5.5
266.05591	1.5
268.11002	3.8
275.06985	1.5
276.07785	1.0
277.08646	3.2
278.05936	0.6
278.09375	2.9
279.06744	2.4
279.10175	50.1
280.10684	0.7
281.08148	6.8
281.11484	1.3
283.13412	0.8
289.09335	0.7
291.06528	0.9
292.07297	2.9
293.08093	4.5
294.08716	1.1
295.09741	1.3
296.10480	5.7
304.07480	1.5
307.09662	100.0
308.10144	3.0
309.07602	3.0
310.07571	1.0
311.12747	14.4
323.09210	1.9
324.09781	2.6
331.11755	1.4
337.10675	3.5
339.12280	31.4
341.10178	1.6
356.12488	5.0
365.10309	3.8
369.13257	2.5
371.14926	24.4
371.19620	1.4
397.12854	2.5
420.41861	0.9
441.53235	0.7
534.21265	2.7
534.44128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99443	3.5
54.28155	3.9
55.05501	10.6
67.05505	7.3
67.96830	3.7
69.03419	14.4
69.07061	10.1
71.04987	11.8
71.57775	5.5
79.05500	7.7
81.03410	7.0
81.07056	17.4
83.04979	18.3
85.02907	29.2
91.05493	10.5
93.07053	12.5
95.04981	7.0
95.08605	21.2
97.02879	7.7
97.06522	5.5
99.08095	4.6
105.07010	10.2
107.08585	26.7
109.02896	4.9
109.06540	8.4
109.07290	3.7
109.10162	11.3
119.08572	7.9
121.06498	7.7
121.10138	37.1
123.08062	5.6
123.11659	6.4
125.09621	14.2
127.03897	5.7
129.05487	4.5
131.08603	5.8
133.10150	19.9
135.08057	13.0
135.11714	9.5
137.09619	11.6
139.11217	5.7
145.10118	7.3
147.08147	4.8
147.11679	11.3
149.05962	3.6
149.09644	14.9
149.13257	14.2
151.07578	4.4
151.11200	73.2
163.14799	14.2
165.12759	24.3
167.07109	5.4
173.13266	12.8
175.83525	3.6
177.05421	7.3
191.14325	70.3
207.13812	12.6
209.15390	100.0
234.50751	4.0
247.06026	7.4
287.05557	17.4
292.02396	4.1
323.07388	7.1
533.16650	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	532.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.8
55.05502	16.0
57.07072	7.2
59.04990	6.0
67.05515	32.1
68.32346	4.1
69.07052	19.2
71.04995	20.7
71.58044	5.8
71.58420	4.8
74.09708	4.7
79.05503	39.7
81.03394	14.1
81.07055	52.2
83.04934	5.5
83.08607	9.6
85.06541	7.2
87.53318	3.5
91.05474	72.8
93.07053	53.6
94.07833	19.7
95.04938	21.1
95.08604	34.9
97.06506	9.1
100.05248	19.8
103.36387	3.8
105.07030	66.3
107.04952	7.2
107.08604	36.6
109.06514	12.3
109.10146	21.1
111.08097	4.2
117.07015	14.6
119.08585	100.0
121.06486	15.0
121.10156	17.7
123.04469	4.3
123.08058	11.0
125.09700	4.7
127.07601	4.3
128.06198	5.6
129.06989	12.7
131.08583	25.9
133.06505	8.3
133.10143	38.5
135.08032	7.9
135.11707	12.0
137.06039	3.8
137.09677	9.2
137.24036	4.1
141.06964	8.3
142.07773	10.4
143.08540	8.2
145.10115	25.0
147.08040	45.4
147.11685	17.3
151.07651	4.4
153.09148	6.4
155.08548	6.8
156.09370	6.2
157.10139	30.1
159.07974	8.9
159.11729	21.1
161.13275	10.2
163.11217	7.9
164.08237	4.5
165.09134	82.4
167.08531	9.7
168.09348	7.9
171.11647	8.3
173.09605	5.6
173.13329	7.9
175.11174	7.4
175.14848	8.9
177.12700	6.8
181.10121	16.9
183.11699	22.3
185.09627	15.9
185.58444	4.0
189.12720	6.4
189.16370	4.8
191.14281	6.3
193.10223	6.4
193.12173	5.8
198.06702	4.0
199.14983	5.2
201.12764	5.8
201.16476	12.0
203.10660	6.8
203.17972	5.1
211.11198	18.4
213.09105	10.4
217.15952	6.8
218.16637	4.4
229.12254	20.3
235.17047	5.1
245.11745	13.5
246.12401	5.0
249.11238	13.9
251.83147	6.0
253.14398	5.8
266.13983	5.7
459.88541	4.7
532.37579	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	533.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95372	0.2
55.01867	0.4
67.05480	0.3
68.99794	2.4
70.81550	0.5
70.89448	0.2
77.51958	0.2
79.05475	0.5
81.03387	1.0
81.07048	0.4
85.02885	0.7
89.03902	0.3
91.05450	0.5
95.04929	0.3
95.08617	0.4
96.08112	0.3
105.06988	0.5
107.04913	0.7
109.02863	0.5
111.00810	1.3
111.04460	0.2
114.09139	1.0
115.05437	0.5
117.03354	0.4
117.06994	0.5
119.04884	0.2
121.02856	0.9
123.04443	3.0
123.11691	0.3
127.03880	1.0
131.04893	0.4
131.08583	0.2
133.06444	0.2
135.04449	1.4
137.02353	18.1
137.03394	1.2
139.03940	0.4
139.05374	0.3
143.04895	0.6
145.02843	0.7
145.06432	0.6
147.04399	1.7
149.02354	2.1
149.05954	0.2
150.03143	0.3
153.01849	1.8
155.04922	0.6
157.06487	0.9
159.04471	0.4
159.11705	0.3
160.09619	0.6
161.02359	1.7
161.05960	0.8
162.30856	0.2
163.03915	5.7
165.01785	0.3
167.04877	0.4
171.04416	1.1
173.05971	1.2
175.03926	1.9
177.05484	0.7
179.03383	0.7
183.04443	0.8
185.06015	1.5
187.03902	0.8
189.01964	0.3
189.05473	1.0
189.43427	0.2
191.07092	0.5
196.11844	0.2
197.06041	0.5
199.03946	1.6
201.05486	2.7
203.03392	3.2
203.06995	0.3
207.02861	1.3
207.13786	0.3
213.05504	2.8
217.04921	0.5
218.05740	0.4
219.06546	0.4
221.04462	0.5
223.03857	0.3
227.03432	1.4
229.04944	4.2
231.03061	0.3
231.06416	1.6
235.07518	0.3
239.03363	0.3
241.04918	1.8
242.05873	0.3
245.04549	1.3
247.06035	30.2
248.06473	0.2
253.05074	0.3
257.04474	0.6
258.05164	0.3
259.06039	0.7
263.07272	0.3
269.04437	1.5
271.06012	0.8
273.03973	0.6
275.05310	1.0
277.08691	0.3
285.03967	1.4
287.05508	100.0
288.05884	0.7
295.06186	0.2
297.04062	0.5
305.08145	0.5
311.05621	0.5
311.71014	0.2
315.06506	0.5
319.05978	0.3
323.09152	0.4
333.07651	0.4
335.05591	0.3
337.07077	0.4
345.07507	0.3
347.05505	0.5
351.08713	0.6
361.07071	1.1
365.06601	0.7
367.07993	1.2
379.08176	3.0
381.09732	1.8
389.06610	0.3
407.07654	13.2
408.07910	0.3
411.07172	0.9
514.30353	0.5
515.09790	2.5
532.30701	0.4
533.10834	18.3
534.11237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
52.11087	0.6
53.03938	1.2
55.05508	3.8
57.07073	1.0
61.02925	0.7
61.27075	0.6
61.37817	0.6
63.10321	0.7
67.05508	7.2
68.05019	1.9
69.03424	2.5
69.06779	0.6
69.07070	7.4
69.51530	4.1
70.06592	4.0
71.04987	2.2
73.02911	0.7
79.05489	4.2
81.03413	1.0
81.05786	1.3
81.07066	7.6
82.06572	2.0
83.04976	1.6
83.08612	1.2
84.08147	1.2
85.02890	2.6
86.06077	0.7
88.03976	1.4
91.05496	4.6
92.07391	0.7
93.07054	8.6
94.06575	5.3
95.04962	1.1
95.08613	19.2
96.08132	27.1
97.02891	1.6
97.06535	1.3
98.20821	0.8
99.04446	2.2
100.07615	1.4
105.07030	7.0
107.08602	11.6
109.06448	0.8
109.10169	5.3
111.04461	2.4
112.07619	15.6
113.09631	1.3
114.09173	100.0
115.09458	0.7
117.07011	1.0
119.08585	12.0
121.10172	4.3
123.08048	0.9
123.11681	1.9
125.09615	0.9
127.03972	0.7
130.08644	1.8
131.08537	1.3
133.10138	18.3
135.11700	12.7
137.09624	11.2
142.08647	16.9
145.10120	1.0
147.11671	1.2
149.13245	0.9
158.08127	7.0
159.11742	2.5
160.09708	38.4
175.14836	12.8
185.13315	1.6
187.14851	3.1
191.05803	0.6
191.18587	0.7
193.15892	2.3
195.88864	0.6
195.97734	0.6
202.10805	0.9
231.13814	1.7
247.06029	0.7
262.12802	1.1
263.11139	1.9
268.11829	6.2
286.12872	8.2
287.05649	2.1
304.13910	30.7
322.14966	23.1
352.15720	1.1
370.16791	1.4
416.22620	0.9
483.48566	0.7
496.29144	16.9
514.30164	39.0
532.31238	45.3
545.90381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57743	6.8
55.05504	12.0
55.90491	7.2
57.07075	15.2
57.68832	7.7
60.74899	7.9
67.05510	60.5
69.03429	10.3
69.07076	23.1
69.40390	22.6
69.40814	38.8
79.05497	34.9
81.07072	70.5
83.08614	11.5
87.04478	100.0
89.06033	10.3
91.05510	47.8
93.07043	60.0
94.07368	9.5
95.04961	13.0
95.08607	71.6
97.10160	13.2
98.20856	15.2
105.07024	22.0
107.08630	41.6
108.08936	9.5
109.10157	45.6
113.88986	8.1
115.05445	8.2
117.07023	10.7
119.08604	20.9
121.06516	13.5
121.10149	32.3
123.11742	10.7
134.10460	8.9
135.11713	35.3
145.10141	13.7
147.11656	7.6
149.13277	86.4
157.10063	9.5
159.11707	11.0
163.14816	10.8
173.09624	8.8
205.19527	73.8
245.11731	91.5
263.12778	15.9
284.26389	8.1
355.59595	8.2
364.56238	8.0
443.40063	9.5
530.39368	98.4
530.50568	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	532.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91609	0.8
55.05510	1.9
57.03448	4.5
58.15296	0.8
69.03434	2.2
69.07063	0.9
71.04996	30.4
71.56300	0.7
73.02905	0.9
74.45686	0.7
75.04484	1.8
78.04720	0.7
79.05503	2.8
81.03392	0.9
81.07081	1.1
83.04979	4.9
85.02911	42.5
85.06551	4.6
87.04482	1.3
91.05480	4.1
93.07061	2.5
95.04999	2.6
95.08662	0.8
96.24611	0.8
97.02894	2.9
99.04471	1.1
103.05409	1.0
105.03384	4.0
105.07048	2.1
107.04957	1.6
107.08616	1.3
111.04445	2.8
121.06506	3.6
121.10110	1.0
123.04433	11.4
126.38959	0.7
127.03960	2.9
129.04530	1.0
129.05487	16.3
145.04993	3.4
147.06541	10.7
149.09602	1.5
161.05949	1.2
163.05981	0.9
167.07062	12.8
168.68358	0.7
177.05421	0.8
181.08646	3.5
195.10162	0.9
213.11290	1.7
274.08331	1.0
276.10345	1.3
280.09708	2.4
288.10342	1.0
290.08121	1.2
302.08279	1.1
303.08990	1.9
304.09680	2.5
306.07510	0.9
308.09238	4.9
309.19812	0.9
316.09839	1.6
317.10614	1.2
318.07648	1.6
319.08511	0.9
320.09109	0.9
321.10031	1.5
322.10895	1.6
323.11569	4.0
330.11484	1.0
331.08444	10.4
332.09055	4.1
333.09991	3.4
334.10898	2.1
336.12283	2.2
345.10159	1.2
346.10767	35.0
347.11346	2.7
348.12326	3.7
350.10342	1.7
360.12421	2.9
370.10583	1.0
378.13687	1.8
398.10318	1.2
410.10297	1.6
412.11911	2.5
413.12830	1.9
422.10217	1.1
423.11618	0.9
424.12225	2.1
426.13879	1.0
428.14966	3.2
440.11343	4.1
441.12146	2.7
443.13559	1.6
454.13235	1.7
455.13812	5.5
456.14850	8.3
467.10336	1.1
468.15073	1.3
471.13290	2.2
471.29242	0.8
472.13950	2.0
482.12317	3.2
483.13162	1.2
484.13898	10.9
485.14618	0.8
486.15509	44.6
487.16208	2.1
498.15402	12.2
499.16290	21.5
502.15411	1.2
514.18591	17.9
517.17487	11.0
517.80853	0.9
532.19733	100.0
533.20129	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19882	5.3
53.03948	6.6
53.35491	4.3
54.08693	4.6
55.05504	16.1
57.07071	11.3
58.25682	3.6
67.05506	38.0
69.07057	15.1
71.04964	8.7
71.08646	7.1
71.56191	8.0
79.05514	23.7
79.87833	4.9
81.07063	49.2
81.17522	4.2
83.04990	6.4
83.08613	8.1
85.06544	10.3
87.04476	69.3
91.05473	39.8
93.07047	69.0
95.04960	6.0
95.08614	52.2
97.06532	7.8
105.07034	58.2
107.08579	41.1
109.06500	4.9
109.09460	7.5
109.10163	89.9
111.08078	17.4
113.09655	7.2
117.07003	11.6
118.96056	5.8
119.08588	54.1
121.06507	3.9
121.10130	30.9
123.11700	8.5
125.09625	19.0
127.11189	45.9
129.06995	7.9
130.07832	4.3
131.08594	22.4
133.10153	26.4
135.07986	4.3
135.11719	9.4
139.11105	5.3
143.08534	12.1
145.10121	43.7
147.11659	14.8
149.13322	9.2
157.10156	11.9
159.11696	56.1
161.13275	100.0
173.13260	17.4
175.14787	11.1
177.16438	12.3
179.14275	7.8
185.13263	11.9
187.14922	5.3
191.17941	4.9
201.16393	61.6
203.17946	8.9
211.10934	4.8
219.17459	96.3
221.37958	4.2
231.13860	9.7
237.18518	46.4
259.43988	4.9
276.90891	5.2
282.24466	5.8
530.39722	42.8
531.36511	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	530.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	5.3
55.05518	17.6
57.07070	11.2
63.49577	3.2
65.03939	3.5
65.19238	3.1
67.05516	46.3
69.07058	22.6
70.03340	7.5
70.03754	11.5
71.04992	10.4
72.08154	3.8
75.08044	3.2
79.05502	33.0
81.07063	78.9
82.07386	4.3
83.04961	4.4
83.08616	10.5
85.06532	7.8
87.04466	37.2
91.05484	38.4
93.07061	67.9
94.07378	5.7
95.04978	5.5
95.08622	77.8
96.08983	5.4
97.06547	7.4
97.10183	4.4
98.20826	5.5
101.06017	6.8
105.07038	74.7
107.08606	54.2
109.06502	4.8
109.10162	90.0
111.08103	19.9
117.07020	12.2
119.08586	73.9
119.09362	6.5
121.06544	4.3
121.10162	42.1
123.04490	4.1
123.08054	3.7
123.11709	16.8
125.09648	12.6
127.11195	43.3
129.07008	6.3
131.08575	26.3
133.10123	36.6
135.11725	8.1
139.11217	4.2
142.07802	3.9
143.08556	7.7
143.11974	3.9
145.10130	51.4
147.11705	48.5
149.13268	11.4
155.08524	4.8
157.10149	14.0
158.46167	4.0
159.11722	54.9
161.13268	100.0
163.11205	3.5
173.13266	19.3
175.14832	10.4
177.12785	5.3
177.16463	12.5
179.14333	5.1
183.11763	8.6
185.13254	14.1
191.18007	5.2
195.11739	4.1
199.14847	5.1
201.12733	12.4
201.16405	65.7
203.18001	55.0
211.11148	5.2
219.17453	90.5
219.19614	5.0
221.19151	7.7
225.83464	3.6
229.12267	10.3
231.13896	5.1
237.18530	42.3
247.13341	25.4
248.87894	3.9
258.92130	3.9
282.24405	8.1
440.53174	3.6
530.39343	42.3
531.40100	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	530.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57743	6.8
55.05504	12.0
55.90491	7.2
57.07075	15.2
57.68832	7.7
60.74899	7.9
67.05510	60.5
69.03429	10.3
69.07076	23.1
69.40390	22.6
69.40814	38.8
79.05497	34.9
81.07072	70.5
83.08614	11.5
87.04478	100.0
89.06033	10.3
91.05510	47.8
93.07043	60.0
94.07368	9.5
95.04961	13.0
95.08607	71.6
97.10160	13.2
98.20856	15.2
105.07024	22.0
107.08630	41.6
108.08936	9.5
109.10157	45.6
113.88986	8.1
115.05445	8.2
117.07023	10.7
119.08604	20.9
121.06516	13.5
121.10149	32.3
123.11742	10.7
134.10460	8.9
135.11713	35.3
145.10141	13.7
147.11656	7.6
149.13277	86.4
157.10063	9.5
159.11707	11.0
163.14816	10.8
173.09624	8.8
205.19527	73.8
245.11731	91.5
263.12778	15.9
284.26389	8.1
355.59595	8.2
364.56238	8.0
443.40063	9.5
530.39368	98.4
530.50568	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	530.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79352	5.1
55.01855	6.1
55.05507	14.5
67.05520	26.4
69.03422	6.5
69.07071	11.2
69.76398	25.9
70.06612	5.3
71.04990	7.3
78.93649	5.0
79.05509	24.9
81.07061	49.9
83.04988	8.0
83.08617	5.9
91.05476	47.6
92.97444	4.6
93.07062	43.2
95.04982	76.7
95.08635	34.8
97.06528	14.4
98.21553	6.3
105.07044	100.0
107.04955	6.4
107.08601	37.2
109.06031	4.1
109.06544	47.2
109.10143	8.7
111.08109	7.0
115.05434	7.0
116.07141	5.0
117.07040	27.9
119.08595	68.5
121.06506	22.3
121.10129	16.9
123.08104	15.0
128.06261	10.9
129.07040	35.4
131.08586	78.4
132.06131	5.1
133.06488	13.7
133.10156	33.2
135.08064	46.8
135.11751	9.2
137.05956	7.1
141.06993	7.9
142.07793	24.4
143.08582	45.9
144.09248	8.4
145.06502	8.4
145.10138	72.9
147.04523	4.5
147.08064	14.8
147.11723	33.4
149.05975	5.4
149.09613	19.5
149.13312	6.5
151.07558	13.3
155.08559	21.6
156.09329	11.8
157.08937	8.4
157.10149	86.8
159.08044	17.0
159.11714	81.4
160.08734	5.8
160.12021	6.2
161.09637	25.6
161.13242	6.5
163.07550	7.5
163.11176	5.0
167.08594	13.3
168.09329	7.4
169.10217	27.1
170.10916	11.6
171.08058	11.3
171.11688	22.4
173.09645	33.8
173.13269	16.6
175.07576	13.0
175.11188	59.8
175.14816	5.3
177.09114	7.8
177.12793	16.0
179.08502	6.4
180.09352	9.0
181.10092	19.0
183.08142	9.1
183.11746	34.6
185.09689	25.4
185.13269	71.5
187.11226	18.6
187.14871	11.4
189.09137	6.1
189.12796	11.3
193.10153	9.9
193.12242	11.4
194.10934	5.4
195.11633	27.6
197.09543	6.8
197.13292	12.2
199.11182	18.8
199.14871	12.6
201.12778	13.5
201.16502	7.7
203.10661	18.3
203.14334	7.1
205.12210	12.5
209.09586	5.9
209.13380	12.3
211.11189	14.5
211.14780	6.5
213.12746	43.3
215.14264	6.2
217.12268	7.3
223.11266	6.1
225.12703	6.1
227.10699	9.3
227.14406	13.7
229.12271	19.7
229.15877	10.0
230.09235	6.0
231.13863	58.2
233.15396	8.4
237.12883	7.5
245.11761	16.6
245.15431	11.0
247.16867	5.7
249.14946	14.0
255.13811	26.8
257.15298	11.0
273.14819	17.1
291.16064	7.7
309.16974	23.4
329.17459	19.6
371.22318	7.0
372.22833	8.9
403.26242	5.9
413.24615	14.2
431.25980	42.2
441.24734	15.5
449.27048	48.0
459.25372	39.4
467.28253	39.1
477.26456	41.0
485.29013	21.6
495.27628	38.5
509.02368	5.8
513.28461	11.9
530.30768	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.3
57.41679	3.6
67.05515	20.1
69.03436	4.9
69.07031	3.8
71.04978	3.6
71.21465	5.8
74.09719	4.4
79.05496	27.3
81.03409	5.7
81.07058	36.0
83.04972	7.3
83.08644	8.3
83.21566	3.7
85.06524	4.2
91.05487	44.5
91.43613	3.3
93.07049	34.5
95.04953	15.2
95.08611	18.9
97.06522	7.4
103.05459	5.7
105.06380	6.1
105.07045	90.4
107.04967	9.2
107.08593	29.6
109.06514	10.6
109.10146	7.1
111.08093	4.7
115.05470	10.8
117.07033	43.1
119.08587	48.7
121.06501	11.4
121.10120	14.1
125.09541	4.0
128.06226	17.0
129.07025	28.0
130.07771	6.6
131.08572	61.1
133.10162	30.0
135.08040	14.2
135.11617	7.4
137.05988	9.6
141.06978	16.3
142.07788	25.5
143.08588	37.7
144.09299	10.6
145.06464	8.5
145.10143	49.9
147.08037	13.1
147.11690	17.2
149.09587	9.3
151.07561	4.5
153.06898	10.0
154.07755	8.6
155.08569	29.4
156.09325	11.8
157.06537	5.0
157.10135	69.6
158.10556	3.6
159.08049	17.1
159.11703	100.0
161.09659	14.0
161.13283	48.3
163.07532	10.1
163.11119	4.7
165.06918	7.0
167.08533	13.3
168.09329	20.4
169.10141	32.2
170.10841	6.3
171.08006	9.6
171.11703	28.9
173.05940	6.4
173.09592	16.1
173.13254	21.3
175.07576	4.4
175.11200	15.0
175.14815	4.7
177.12817	6.1
179.08563	7.0
180.09401	4.3
181.10066	19.5
182.10913	9.2
183.11710	57.6
184.12129	4.6
185.09659	9.8
185.13292	33.2
187.11226	25.0
187.14879	5.2
189.12762	9.5
192.09395	5.8
193.10107	12.0
193.69177	4.7
195.11687	14.5
197.09645	9.1
197.13264	15.7
199.11174	17.8
199.14833	7.8
201.12784	20.1
203.14392	6.5
205.12195	7.0
207.11694	8.2
209.09692	4.8
209.13304	10.6
211.11240	35.8
211.14769	4.0
213.09035	5.5
213.12764	10.4
215.10780	6.7
215.14328	10.2
217.15884	4.1
221.13414	5.0
225.12811	15.4
227.10617	9.5
227.14291	10.0
229.12257	71.5
231.13826	17.1
233.15427	4.9
237.12592	4.7
241.12169	5.2
243.10172	5.6
243.13773	11.5
245.11798	5.9
245.15359	9.7
247.13387	10.9
253.12206	12.0
265.14471	9.4
271.13281	11.0
289.14264	8.5
299.12939	8.0
314.03946	4.3
317.13904	8.7
403.26169	5.2
413.24725	13.4
423.22757	6.3
431.26050	21.6
441.24060	13.5
449.27332	23.3
459.25632	24.5
467.28174	22.9
477.26718	36.3
485.29114	24.6
495.27191	15.8
513.28845	4.2
530.30316	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	530.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05519	8.8
57.07084	1.0
67.05518	2.5
68.05029	1.4
69.03442	3.5
69.07068	1.4
69.48230	5.0
70.06598	5.5
79.05490	3.5
81.03420	0.7
81.05793	1.7
81.07065	2.5
82.06615	1.0
83.04993	30.1
83.08620	2.3
85.02917	2.4
85.06556	2.0
86.09734	1.2
87.04391	0.8
91.05486	2.3
93.07069	2.9
94.06589	4.9
95.04969	0.9
95.08604	2.4
96.08143	29.5
96.73795	0.7
97.02874	0.8
97.06596	0.7
97.10205	1.7
98.21479	1.0
99.04476	1.2
105.07040	1.2
107.08610	7.9
109.06556	2.1
109.10174	1.4
111.08092	10.5
112.07623	7.9
113.94906	0.7
114.09180	92.2
115.10462	0.8
119.08589	1.1
121.10177	2.8
123.08134	1.0
125.09672	2.3
127.07598	1.4
130.08662	0.7
131.04990	0.9
133.10123	1.3
135.08093	2.3
135.11690	0.9
137.05893	0.7
137.09541	0.7
142.08650	23.0
147.04459	1.0
149.13242	1.6
151.07507	1.2
153.09120	11.5
157.81078	0.8
158.08144	2.9
160.09709	46.2
162.06816	1.6
167.07178	0.8
175.07623	0.9
178.08717	1.6
187.07608	1.2
191.14337	1.4
192.09280	0.8
213.36688	0.7
220.95419	0.8
240.12424	1.2
244.19974	0.7
258.13373	0.7
268.11508	3.1
276.62488	2.4
277.12570	1.2
285.13666	4.3
285.63834	1.3
286.12799	4.2
304.13873	11.1
322.15005	19.4
512.21124	1.2
512.28564	10.3
530.29645	100.0
531.30267	1.6
538.19653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03951	4.7
55.01865	2.3
55.05267	1.2
55.05515	19.6
57.03444	5.2
57.07068	3.0
65.03948	6.0
67.05508	75.5
69.07073	23.3
71.04983	3.5
71.17091	1.6
72.25636	0.9
77.03922	1.0
79.05497	61.8
79.23658	1.0
81.03410	2.9
81.07063	80.3
83.04999	5.3
83.08626	13.4
85.06538	3.9
91.05486	37.0
91.05962	0.8
93.02570	1.0
93.07050	73.3
95.04958	6.4
95.08614	37.5
97.06544	9.4
97.10152	3.0
99.08095	2.8
103.05459	1.0
105.04513	1.0
105.07040	23.0
107.07863	1.8
107.08598	36.5
109.06511	3.1
109.10165	11.6
111.08093	7.2
111.11720	1.1
112.64841	0.8
113.06068	1.1
117.07034	14.2
119.08594	18.2
121.06538	1.0
121.10155	29.5
121.76030	0.8
123.08047	1.2
123.11736	2.9
125.09602	1.4
129.07054	2.7
131.08575	19.2
131.09514	1.4
133.10129	13.1
135.08054	2.1
135.11691	16.1
139.11176	1.6
143.08565	3.9
144.09392	1.0
145.10136	11.9
147.11694	6.7
149.09650	1.4
149.13269	30.4
155.08574	2.3
157.10126	4.5
159.11700	17.6
161.13249	5.3
167.79549	1.0
169.10129	1.6
171.11729	3.9
173.13269	5.5
175.14835	1.8
177.09370	0.8
177.12776	4.6
180.62140	1.0
181.10103	1.4
183.11624	0.8
185.13251	2.2
187.14832	3.0
195.11859	1.7
195.13843	7.8
197.13333	2.1
199.14792	2.3
201.16422	1.7
243.21115	1.9
261.22131	5.5
317.24979	1.8
384.06250	1.0
419.33267	2.1
437.33871	4.7
455.35474	1.8
473.36334	1.2
511.37857	1.8
529.38934	100.0
530.39215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27167	1.3
53.03940	3.1
55.01880	2.2
55.05510	2.5
61.02922	1.8
65.68132	1.1
67.05502	1.4
69.03433	3.2
70.06584	2.6
76.02219	3.7
79.05497	3.4
81.03410	2.4
81.07047	2.8
83.04986	3.1
85.02925	8.5
88.02219	2.9
88.04003	4.7
88.44337	1.2
91.05479	5.4
93.07033	4.3
96.08105	4.4
97.02885	2.9
105.00075	2.3
105.07040	9.4
107.08593	2.4
111.08122	1.9
112.07615	1.5
114.09188	16.4
116.34547	1.3
117.07011	4.6
119.08565	3.0
122.02745	6.3
127.03917	1.5
128.06227	2.4
129.07004	12.3
131.08585	8.8
132.12196	1.2
133.10114	1.5
141.07034	4.6
142.07756	11.2
142.08670	2.5
143.08542	10.0
144.09372	2.4
145.10097	4.3
153.07005	3.9
154.07819	1.7
155.08521	12.6
156.09311	2.9
157.10141	44.9
159.11719	16.4
160.09706	4.5
162.09146	2.0
166.07726	2.2
167.08546	1.9
168.09309	5.7
169.10135	3.8
171.11676	1.9
173.09630	3.3
175.11140	2.5
180.10213	1.9
181.10101	9.3
182.10866	3.1
183.11690	12.9
185.09550	1.7
185.13237	11.5
187.05814	2.4
187.07462	1.5
189.07370	1.5
193.10216	2.2
197.09709	1.9
199.11224	8.3
200.06648	1.9
201.09122	12.7
201.12695	4.0
208.09738	3.0
211.11107	9.4
215.08896	5.6
229.12250	16.5
261.09488	25.4
263.10608	1.6
279.10486	9.8
291.09790	1.7
304.13852	8.0
322.14771	12.4
323.12332	3.4
325.69043	1.4
333.11719	1.4
350.14212	11.1
351.12622	3.1
368.15292	100.0
392.15182	2.3
446.16275	2.2
476.17398	1.8
494.17868	1.8
512.19537	3.0
512.28241	1.6
530.21661	1.6
530.29822	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.5
53.03940	4.7
55.01882	2.7
55.05513	22.0
57.03450	4.0
57.07085	4.8
59.01764	0.8
59.04995	0.9
61.21665	0.8
65.03957	3.2
67.05509	78.3
69.03437	1.9
69.07076	22.7
71.04994	5.0
71.08658	0.9
71.57543	1.6
75.04028	0.9
77.03973	1.0
79.05499	58.2
81.03418	6.5
81.07062	77.9
82.44043	1.0
83.04980	5.8
83.08630	15.2
85.06536	4.4
87.04488	3.3
87.36413	0.8
91.05484	37.6
93.07050	69.6
95.04970	11.4
95.08614	40.3
97.06544	8.1
97.10208	3.6
99.08135	3.0
105.04584	1.4
105.07037	23.9
107.04985	1.3
107.08600	39.2
109.06553	3.3
109.10159	13.3
111.08082	6.3
115.05501	1.7
117.07029	12.6
119.08599	20.5
121.06548	2.1
121.10152	29.3
123.08096	2.2
123.11697	5.3
125.09675	1.4
129.07028	5.2
131.08574	20.9
133.10132	16.0
135.08032	1.8
135.11702	14.2
137.09706	1.0
139.11191	2.5
142.07780	1.7
143.08553	6.2
145.10143	10.9
147.11705	8.2
149.09688	1.9
149.13275	24.8
149.14357	1.7
151.11230	1.4
155.08627	2.7
157.10132	6.9
159.11691	16.4
159.12845	1.2
161.13277	5.1
163.14909	1.2
167.08620	1.0
169.10199	2.7
171.11728	5.0
173.13261	5.5
175.11336	1.2
175.14943	2.9
177.12752	5.5
181.10223	1.5
183.11775	1.9
185.13374	3.1
187.11345	1.0
187.14922	3.0
189.16455	1.0
193.10031	1.1
193.12405	1.3
195.12048	1.5
195.13901	6.1
197.13353	2.5
199.11443	1.1
199.14893	3.1
201.16495	3.0
209.13356	1.5
213.16556	1.5
223.14807	1.6
239.18214	1.2
243.21014	1.7
256.26520	2.9
259.20724	1.1
261.22363	3.9
299.23914	1.0
317.24741	1.1
419.33282	1.9
437.34351	6.7
455.35410	2.9
473.36148	1.6
511.38171	2.8
529.39111	100.0
530.39319	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28507	3.6
53.03930	5.2
55.05511	29.1
57.03439	6.1
57.07070	4.1
67.05509	34.2
69.07075	20.4
70.07401	4.1
71.04992	9.6
71.08630	4.1
71.56694	5.6
72.08157	6.1
79.05496	31.6
81.07056	51.6
82.07399	5.2
83.04961	4.8
83.08607	7.1
85.06540	6.9
89.06031	5.1
91.04945	5.6
91.05481	40.9
91.08744	3.2
93.07051	71.1
94.07376	7.6
95.04943	5.5
95.08607	45.9
97.06530	7.3
97.10163	4.3
105.07030	65.2
107.08598	42.2
108.08870	6.5
109.10168	80.7
110.10545	5.9
111.08080	16.3
113.09653	8.9
117.07026	15.7
119.08595	63.9
121.10155	41.4
123.08104	4.5
123.11742	5.5
125.09650	13.6
127.11212	43.1
129.07007	12.2
131.08582	29.6
132.08910	6.3
133.10117	26.6
135.11703	11.5
142.07724	4.0
143.08557	12.0
145.10133	56.6
147.11728	19.3
149.09637	4.5
149.13278	6.1
154.89406	4.2
155.08530	9.4
157.10143	18.8
159.11703	54.8
160.12059	6.2
161.13264	100.0
163.11230	5.1
167.08598	4.3
168.09363	5.2
169.10141	8.3
171.11670	10.6
173.13263	16.5
175.14816	11.4
177.12737	9.4
177.16417	8.8
179.14201	5.5
181.10132	7.6
183.11685	14.6
185.13208	7.1
186.13603	6.7
191.14388	4.1
191.17853	4.7
193.10065	4.3
195.11650	4.4
197.13387	5.3
199.14876	5.5
201.16373	72.7
203.17960	5.0
211.11160	7.4
219.17436	87.5
229.12225	8.0
237.18510	38.5
247.13379	4.5
270.36963	4.1
310.27289	4.3
418.31961	5.3
436.32739	20.3
454.34250	5.9
510.36450	11.1
528.37714	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.05511	4.5
57.07079	3.9
63.63522	2.5
67.05502	17.3
68.44440	2.4
69.07082	10.7
71.04993	8.2
71.45184	4.5
79.05490	10.7
81.07065	33.5
83.04951	4.6
83.69355	2.3
85.06551	9.2
91.05476	22.6
93.07053	55.8
94.37834	2.9
95.04980	4.2
95.08613	36.7
97.06542	6.0
99.08128	2.7
101.06049	6.4
105.07030	47.2
106.88941	2.8
107.08597	27.0
109.10162	68.9
111.08103	15.1
113.09642	4.1
117.07050	7.7
119.08586	46.1
121.10156	32.0
123.08116	3.8
123.11703	6.3
125.09625	12.6
127.11201	43.8
131.08594	11.3
133.10143	23.2
135.11731	6.7
136.35802	3.0
139.11264	3.2
143.08566	3.9
145.10123	40.7
147.11726	9.6
149.13307	6.2
155.08516	2.8
157.10144	5.9
159.11694	49.2
161.13263	100.0
163.11220	3.4
168.09454	2.6
173.13264	14.9
173.79684	2.6
175.14841	13.5
177.12802	4.3
177.16443	11.7
179.14336	7.1
183.11661	4.9
191.17850	4.6
201.16386	77.0
211.11208	4.4
216.56749	2.5
219.17448	91.0
229.12259	3.2
237.18510	40.5
282.24286	7.1
378.04514	2.7
435.80756	2.5
509.31778	2.7
528.37408	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	528.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
55.05512	3.1
56.30760	1.8
56.52919	2.0
67.05495	6.1
69.03424	2.4
69.44022	15.4
71.04998	2.1
79.05487	8.4
81.07057	10.0
88.46755	1.7
91.05486	15.2
92.32319	1.7
93.07067	10.5
94.08571	1.7
95.04954	4.3
95.08589	5.3
98.73980	1.6
99.04405	2.1
103.05470	2.6
105.07038	18.2
107.08570	7.4
107.78284	1.7
109.02855	2.1
109.06529	3.8
109.10139	2.3
115.05439	3.1
117.06999	11.3
119.08585	37.6
121.06512	4.1
121.10115	3.8
121.29393	1.9
127.95845	1.9
128.06227	8.1
129.06999	16.1
129.82826	1.8
130.07819	1.9
131.08578	16.9
133.06514	2.6
133.10120	7.4
135.08067	7.4
137.06020	2.2
141.07001	8.9
142.07796	24.1
143.08591	30.8
144.09308	4.0
145.06491	3.9
145.10121	16.2
145.54674	1.8
147.08026	4.1
151.07532	3.0
152.06157	2.4
153.06993	14.6
155.08559	24.7
156.09312	5.5
157.06520	5.5
157.10146	92.4
158.07368	2.7
159.08031	4.7
159.11703	24.0
161.13248	3.5
165.06996	8.6
166.07797	9.2
167.08577	17.8
168.09360	51.1
169.10143	9.7
170.10881	2.3
171.08052	4.9
171.11688	10.6
173.06021	1.9
173.09616	8.4
173.13258	3.7
175.07610	3.1
175.11157	2.5
178.07777	2.7
180.09409	3.5
181.06456	4.0
181.10150	25.9
183.11711	100.0
185.09631	2.9
185.13287	34.3
186.10513	1.8
187.07669	2.5
187.11108	9.4
187.14851	3.3
189.09138	4.9
191.10551	2.2
193.10150	33.3
195.11769	11.4
196.08827	11.2
197.13304	2.1
199.11192	8.1
201.09206	2.6
201.12721	8.4
203.14302	2.7
205.12183	2.4
211.11195	95.2
213.12709	7.1
215.14243	1.9
217.12241	1.9
219.13701	2.3
227.10637	6.0
229.12265	59.1
230.12608	2.3
231.13744	14.3
245.11713	8.1
247.13316	11.6
263.12701	2.3
265.14355	3.4
380.18073	1.8
447.25455	1.9
493.25562	4.7
528.33459	4.5
529.35028	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	528.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.6
57.03438	6.9
57.07078	14.4
59.04985	3.7
61.02921	2.4
61.85878	0.9
67.05512	2.0
69.03434	15.1
69.07069	57.2
70.06610	1.0
70.44624	1.9
71.05000	4.9
71.08631	8.5
73.02920	16.0
73.06555	11.0
79.05481	1.7
81.03410	2.1
81.07050	2.3
81.59232	1.0
83.08608	2.5
85.02905	16.8
85.06493	0.9
85.10169	4.1
87.04458	4.5
89.06033	31.6
91.05474	3.2
93.07021	2.4
95.04947	2.0
97.02892	16.3
97.06538	1.4
99.04497	1.1
99.11678	1.2
100.38448	1.0
105.07013	2.9
107.08566	2.3
109.02850	1.4
111.11724	86.3
115.03930	11.2
117.06971	1.3
119.08586	1.9
119.39475	1.0
121.06530	2.3
123.04406	1.6
123.84412	0.9
127.03950	1.9
129.07036	1.5
129.12759	100.0
129.57312	0.9
131.08501	1.6
133.04967	4.1
133.06476	1.4
137.06056	0.9
139.11090	1.1
143.08563	1.9
145.04959	3.4
145.10097	1.7
157.10149	1.6
161.62860	0.9
171.23602	0.9
173.09691	1.1
173.22115	1.1
179.08450	1.3
187.11244	1.2
199.11240	1.1
199.16931	24.2
202.23730	1.1
217.15918	2.1
217.17982	29.6
259.08069	1.5
358.82080	0.9
395.08447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07417	0.9
53.03946	2.2
55.01867	1.8
55.05517	14.4
57.03442	3.9
57.07073	3.9
65.03947	1.4
66.08191	0.9
67.05510	27.3
69.03431	1.1
69.07072	14.0
70.01015	1.0
71.05024	1.9
71.08643	2.1
71.56088	1.1
76.14256	1.1
79.05498	22.5
80.64487	1.2
81.03417	1.8
81.07061	28.5
83.04992	2.1
83.08620	7.0
84.70853	1.0
85.06535	1.5
89.06040	3.4
91.05485	21.5
93.07055	23.9
95.04977	4.3
95.08616	20.5
97.06547	3.5
97.10178	4.4
97.70504	0.9
99.08105	1.3
105.07040	22.1
107.05013	1.1
107.08597	15.8
109.06532	1.6
109.10158	9.4
111.08078	1.3
115.05524	1.5
117.07025	12.4
119.08591	17.7
121.10133	12.6
123.08070	1.9
123.11728	1.4
125.09645	1.7
128.06209	2.8
129.07016	14.8
130.07819	1.3
131.08565	19.6
131.63722	1.3
133.08617	1.9
133.10133	13.1
135.08087	1.8
135.11722	5.5
141.07036	4.5
142.07755	2.6
143.08563	17.6
144.09288	1.2
145.10127	18.4
147.11722	7.3
149.09653	1.5
149.13324	3.3
151.74417	1.1
154.07785	1.3
155.08586	10.5
156.09309	2.0
157.10136	15.8
159.08035	1.7
159.11705	15.1
161.09663	1.6
161.13324	3.5
163.11163	1.5
165.06947	1.1
167.08632	2.9
168.09381	1.5
169.06596	1.0
169.10118	12.3
171.11690	14.9
173.13286	9.1
175.14827	1.5
177.11244	1.3
179.08545	1.1
181.10149	5.3
183.11705	12.0
185.13249	10.3
187.14861	3.8
191.57088	1.1
193.10216	1.4
195.11714	7.0
197.13268	8.2
199.11391	1.1
199.14821	4.9
201.16441	2.8
207.11790	2.0
209.13316	3.1
211.14897	3.7
213.16476	2.2
221.13329	2.3
223.14880	3.9
225.16501	2.8
227.18028	1.7
231.17644	1.1
235.14838	1.4
237.16475	2.0
239.17967	2.1
241.19629	1.2
253.19708	1.4
255.17586	1.2
257.19122	1.2
259.20642	3.2
283.20697	1.5
285.18466	1.0
297.22073	1.9
311.23856	1.4
315.23386	1.7
323.23907	1.7
328.20895	1.5
337.25665	1.5
339.23126	1.2
409.22244	1.1
417.31601	6.0
435.32581	18.6
453.33600	8.2
471.34586	5.1
491.35123	2.1
509.36353	9.7
527.37415	100.0
528.37665	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	528.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.4
55.53411	3.8
59.18229	3.9
59.90760	3.9
67.05496	21.2
69.03427	6.1
69.07074	8.1
70.70926	10.6
71.05003	5.1
79.05504	26.8
81.03424	4.5
81.07059	36.3
83.08592	6.0
84.05759	4.3
85.06533	5.3
91.05477	42.8
93.07072	28.6
95.04955	10.1
95.08601	16.1
104.06248	6.5
105.07037	62.5
107.04948	6.0
107.08623	23.7
109.06541	7.2
109.10152	4.6
111.08121	5.8
115.05458	10.0
117.07026	27.5
119.04974	6.4
119.08588	53.5
121.06525	11.6
121.10145	6.0
123.04452	4.2
128.05371	4.2
128.06227	17.3
129.07030	44.2
130.07834	6.5
131.08575	50.7
132.09271	4.7
133.06476	8.1
133.10135	18.5
135.08047	13.3
138.06863	4.7
141.06973	20.6
142.07803	29.9
143.08571	100.0
144.09315	18.6
145.06517	17.1
145.10143	52.8
146.10722	4.4
147.08095	22.9
147.11703	6.3
149.09602	6.4
151.07504	11.6
153.06978	16.5
154.07744	15.0
155.08562	34.5
156.09346	28.1
157.06519	15.6
157.10144	69.3
158.07251	11.5
158.10455	5.0
159.08032	19.0
159.11694	34.6
161.06001	8.0
161.09663	10.2
161.13319	6.5
163.07516	5.2
165.07005	11.8
166.07802	11.9
167.08580	29.1
168.09306	24.9
169.10095	38.9
170.10863	5.2
171.08093	14.7
171.11714	72.9
172.08788	13.0
173.06044	5.7
173.09624	16.5
173.13306	7.3
175.07568	9.7
175.11140	7.0
177.09023	5.8
179.08618	8.2
181.08699	5.5
181.10120	28.4
183.08080	6.0
183.11757	54.9
184.08881	5.9
185.06015	4.4
185.09731	26.0
185.13281	41.0
186.35504	5.1
187.07704	5.5
187.11217	31.1
189.09131	12.0
189.12811	8.4
190.09810	7.6
191.10637	6.4
193.10207	9.1
195.07961	7.0
195.11696	12.4
197.09630	16.1
198.10493	4.3
199.11189	63.4
200.12019	5.1
201.09164	6.9
201.12709	12.6
203.10634	14.3
203.14323	13.9
205.12299	8.4
209.09633	7.8
211.11232	17.9
213.09163	15.1
213.12749	20.3
215.10698	15.4
216.19183	4.3
217.12315	12.8
225.12914	4.7
227.10619	37.2
228.11456	12.2
229.12270	41.2
230.12991	24.2
231.13831	80.0
245.11684	31.4
246.12531	36.7
247.13310	14.8
248.14072	9.3
249.14774	5.3
263.12772	18.3
264.13599	4.5
265.14352	9.8
280.34012	4.7
522.83618	4.6
528.37451	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.0
51.56397	1.0
53.03956	1.9
55.01874	1.8
55.05516	13.2
57.03430	3.2
57.07084	2.3
64.68712	0.9
67.05168	1.9
67.05509	26.3
69.07073	11.5
69.97707	3.0
71.05000	1.6
79.05498	21.0
81.03418	4.8
81.07065	29.7
83.04996	2.5
83.08626	6.1
85.06558	3.4
91.05484	20.9
93.07053	22.2
95.04980	5.3
95.08612	17.6
97.06546	3.7
97.10190	3.2
98.21480	1.2
103.05451	1.1
105.07037	22.1
107.08598	11.8
109.06528	1.4
109.10162	6.2
111.08090	3.0
115.05482	2.4
117.07032	13.9
119.08593	17.5
119.09443	1.2
121.10151	10.7
122.10486	0.9
123.08116	1.1
123.11716	1.9
123.86900	0.9
125.09683	1.2
128.06264	3.1
129.07011	11.7
130.07803	2.3
131.08578	20.5
133.06508	1.7
133.10139	11.0
135.08035	1.4
135.11726	6.0
136.37784	1.0
139.11211	1.1
141.07048	3.2
142.07803	3.5
143.08551	16.0
144.09312	2.7
145.10124	17.8
147.08139	1.1
147.11682	7.3
149.09659	1.2
149.13258	4.6
151.11177	1.0
155.08572	8.7
156.09361	2.9
157.10130	17.1
157.11267	1.1
159.11676	13.6
161.09706	2.0
161.13333	3.2
163.11159	1.5
166.07719	1.2
167.08661	3.1
168.09305	2.2
169.10149	10.3
171.11673	12.7
173.13268	9.2
175.11296	1.0
175.14844	1.0
179.08565	1.0
181.10149	5.7
183.11714	12.3
185.13297	9.2
187.11328	1.2
187.14847	4.6
193.10223	1.7
193.12271	1.5
195.11769	5.7
195.13687	1.6
197.13280	8.4
199.14853	6.1
201.16487	3.0
203.14442	1.2
207.11766	1.3
209.13374	2.7
211.14853	2.9
213.12918	1.9
213.16461	3.5
214.13812	0.9
223.14969	2.5
225.16432	1.5
237.16423	1.8
241.19568	1.3
251.17908	1.2
259.20700	3.4
283.20819	1.4
297.22238	2.5
299.23834	1.3
309.22168	1.4
311.23853	1.4
313.21680	1.3
315.23410	2.6
327.90292	0.9
337.25412	1.8
388.22574	1.2
417.31467	5.2
435.32629	16.0
435.38406	1.4
453.33615	9.3
471.34839	5.1
473.34586	1.3
491.34988	1.4
508.08035	1.2
509.36212	6.6
527.37561	100.0
528.37927	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	526.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11408	2.5
53.03932	5.5
54.96786	2.9
55.05510	5.8
55.08421	2.8
67.05498	11.5
69.03424	4.0
70.71075	8.4
71.04991	3.7
79.05500	14.1
81.03410	3.3
81.07043	8.1
91.05477	33.4
93.07037	26.2
95.04956	12.7
95.08595	6.9
99.04424	4.5
100.05265	4.5
103.05480	4.9
105.07040	32.9
107.04929	4.5
107.08621	13.7
109.06505	6.9
115.05455	11.6
116.06240	4.6
117.07011	22.7
119.04915	3.2
119.08592	59.7
121.06537	7.9
128.06229	20.5
129.06998	32.3
130.07770	6.4
131.04945	4.4
131.08583	36.4
133.06514	5.8
133.10117	8.1
135.08029	11.8
140.30275	2.9
141.06987	23.9
142.07765	29.7
143.08578	60.3
144.09294	5.9
145.06479	16.6
145.10147	23.4
146.07263	3.4
147.08012	14.6
147.11711	6.9
149.05972	4.1
151.07529	4.5
153.07016	15.2
154.07756	10.8
155.06056	3.9
155.08571	40.9
156.09348	21.3
157.06506	3.1
157.10130	83.2
158.07216	7.5
159.04315	2.7
159.08084	22.8
159.11702	12.4
161.06009	6.7
161.09575	6.2
163.07527	3.8
164.08321	8.8
165.06990	12.1
165.09134	15.7
166.07773	13.7
167.08560	24.1
168.09351	40.5
169.06650	4.4
169.10172	23.5
170.07251	5.4
171.08055	14.3
171.11693	45.8
173.05956	5.7
173.09572	8.4
173.13232	7.2
175.11113	4.5
178.07722	4.1
179.08556	6.9
181.06450	4.2
181.10147	35.5
182.10938	4.0
183.08188	3.7
183.11711	100.0
184.08781	4.2
185.09622	32.7
185.13301	10.3
187.07561	8.0
187.11197	12.4
189.09140	4.9
193.10158	25.0
195.11694	4.2
196.08856	8.6
197.09596	13.4
199.11189	46.0
200.08269	3.9
200.11868	6.3
201.09006	5.6
201.12706	13.2
203.10638	9.3
209.09674	8.2
211.11191	73.4
213.09082	16.9
215.10680	15.0
217.12230	8.7
227.10706	28.2
228.11554	17.1
229.12247	81.8
231.10176	9.2
231.13708	5.5
241.12247	2.8
245.09453	3.2
245.11768	37.7
246.12505	23.9
247.13239	8.6
249.11212	18.1
261.38922	3.0
263.12729	39.8
266.13889	12.4
300.80109	2.8
362.24774	3.0
466.50879	3.0
496.44238	3.2
526.31183	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	525.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46053	3.8
55.05503	5.8
56.48082	3.5
61.58712	3.2
62.53727	3.6
69.03422	15.9
69.07065	10.4
70.55214	3.4
81.07050	12.4
83.08614	6.8
85.02899	13.1
87.04453	9.1
93.07024	10.0
95.08611	20.3
97.02883	13.7
98.21521	9.0
99.08112	9.6
107.08606	20.3
109.10159	12.0
110.29178	3.5
111.08061	5.3
115.03920	17.4
121.10162	35.0
125.09604	8.8
133.04967	12.1
135.11661	11.1
137.05989	5.8
147.04344	4.4
171.64825	4.2
177.16405	100.0
178.08664	5.6
184.84801	3.9
195.17479	36.8
213.18515	33.4
268.11026	6.9
276.62445	6.8
285.13654	18.2
285.63849	6.4
374.28922	3.8
526.24121	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	526.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59048	0.7
52.74273	0.7
53.03940	1.5
55.01867	1.7
55.05502	2.3
57.03442	10.8
58.51145	0.6
61.02936	1.2
62.53131	0.7
67.05527	0.7
69.03437	2.2
69.34070	6.0
70.04078	0.9
70.06610	0.6
71.04996	71.9
73.02923	4.2
75.04475	4.6
79.05508	1.2
81.03428	1.9
81.07058	1.5
83.04988	9.3
85.02908	100.0
87.04472	1.7
91.05501	1.8
93.07057	1.2
95.08613	1.3
97.02911	5.9
98.20769	1.0
99.04462	2.2
103.03954	0.8
105.07049	2.5
107.08604	0.7
109.02870	1.3
109.06551	0.6
109.10144	1.0
110.06060	0.7
111.04459	4.6
115.05464	1.4
117.06961	1.0
121.06464	0.8
127.03928	4.8
128.06215	1.6
129.05486	37.8
131.08577	0.7
133.04965	0.7
133.10120	0.9
145.04944	3.3
146.08171	1.4
147.05402	1.5
147.06531	18.7
147.07706	1.1
148.16246	0.8
153.06982	1.7
155.08594	1.9
161.09639	1.6
163.06303	1.0
164.09198	7.2
165.01079	1.4
165.07060	1.2
167.07048	1.0
168.05693	1.1
169.10121	1.1
171.08081	1.6
171.74217	0.7
182.07335	1.1
183.08057	18.6
185.09691	1.2
197.09618	8.3
201.09074	1.0
201.18715	0.8
204.03421	1.1
209.09659	1.5
213.09172	0.9
215.54137	0.8
217.12891	0.6
221.09610	2.6
224.98688	0.7
225.09152	5.3
231.02019	0.7
237.09151	1.7
239.10616	1.3
249.09102	1.0
255.08644	1.1
266.99774	6.3
267.10159	5.6
287.55774	0.9
293.11734	1.6
309.11502	2.2
311.12814	0.8
364.02499	17.1
526.22864	0.9
526.34869	1.0
527.24084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01876	2.0
67.05500	2.3
68.73142	1.5
70.80296	2.2
70.80660	4.3
77.02864	1.7
77.92663	1.9
79.05496	5.0
80.26176	1.6
81.07059	4.9
84.22549	1.6
91.05496	8.6
93.07032	3.0
95.04984	2.3
105.07047	8.0
107.08631	3.2
107.74022	1.6
109.02835	1.7
109.06495	3.0
117.06995	4.2
119.08585	26.1
128.06238	3.7
129.07022	7.5
131.08574	7.3
133.10130	2.9
135.08038	3.9
135.11771	2.4
141.07013	7.7
142.07802	18.0
143.08545	11.9
145.06499	1.9
145.10129	5.5
147.08128	2.7
147.11653	2.5
152.06247	3.0
153.06975	10.1
155.08556	19.3
156.09401	3.0
157.10141	82.5
159.08064	2.1
159.11700	4.5
163.07523	2.9
165.06993	3.9
166.07803	7.6
167.08566	19.5
168.09360	52.2
169.10139	5.9
171.11667	1.8
173.09619	2.5
173.13316	3.2
178.07883	2.2
180.24837	1.6
181.06554	5.7
181.10118	22.0
183.11713	100.0
184.12041	2.0
185.09596	2.7
185.13283	5.9
187.11189	2.9
193.10164	33.2
196.08810	10.7
199.11171	2.7
201.09039	2.1
201.12769	5.7
211.11206	96.1
218.67122	1.6
227.10657	2.6
229.12241	50.4
241.12277	1.8
245.11832	5.4
263.12738	2.6
405.62759	1.8
424.09195	1.6
483.14874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57993	1.1
55.93057	1.2
56.96563	2.8
70.99084	3.2
77.45015	1.5
93.28799	1.3
98.97590	62.4
115.48817	1.5
116.98634	43.6
116.99456	2.7
128.12904	1.2
134.99648	19.4
140.00252	1.6
192.94841	1.2
216.98930	2.2
221.97560	1.6
230.66158	1.5
232.96858	1.9
234.99988	5.0
240.98723	8.2
250.98293	1.4
258.99850	77.1
260.00064	3.2
261.03085	2.3
274.97855	4.4
277.00888	79.5
278.01099	3.8
282.01498	2.4
282.99966	27.3
284.00073	1.7
291.02454	1.9
292.99075	1.8
298.97836	3.1
300.02689	2.0
301.01068	32.2
302.01419	2.8
316.99039	6.9
317.98987	1.6
340.99170	2.7
359.00198	11.8
364.99109	2.6
382.99960	26.5
401.01086	100.0
402.01474	6.8
419.02521	9.3
424.02609	5.0
425.01193	2.2
440.99188	2.6
443.02216	5.2
459.00204	1.6
506.99875	7.1
525.01288	65.0
526.01233	6.7
542.99127	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.0
55.05499	4.8
67.05505	9.5
69.03427	6.5
71.56278	4.4
79.05491	12.8
81.03423	3.8
81.07060	9.8
88.67488	3.0
91.05475	18.7
93.07050	14.4
95.04982	9.9
95.08614	4.5
103.05426	4.5
105.07035	34.3
107.04958	3.9
107.08600	9.0
109.06488	5.9
109.10182	3.7
115.05412	7.7
117.07023	11.8
119.04984	4.4
119.08581	21.6
121.06528	9.9
121.10142	6.2
125.34010	3.2
128.06227	13.0
129.07047	16.7
131.08595	23.0
133.10133	9.8
135.08081	10.3
136.13383	3.0
137.06018	4.0
141.06985	12.5
142.07809	12.2
143.08606	20.8
144.09280	3.8
145.06491	13.5
145.10126	13.4
147.04410	3.4
147.08031	12.5
149.05956	7.8
151.07568	6.4
152.06154	4.4
153.07004	8.6
154.07796	7.6
155.08592	23.8
157.06485	6.0
157.10129	29.8
158.07332	5.2
159.08073	18.3
159.11708	10.0
161.09625	6.5
163.07573	6.8
165.07040	9.3
166.07802	8.9
167.08585	9.5
168.09360	7.3
169.06483	6.5
169.10136	23.3
170.07330	3.9
171.08060	13.7
171.11702	11.9
172.08829	7.4
173.09618	18.3
175.07538	4.5
175.11125	18.1
178.07686	7.6
179.08580	9.1
181.06337	3.5
181.10136	13.7
182.07291	6.8
183.08064	16.6
183.11707	19.7
184.08789	9.7
185.09634	29.8
185.13300	4.4
187.07571	4.3
187.11198	13.7
189.09102	5.4
193.10141	13.0
195.08099	7.5
195.11710	10.6
195.56207	3.5
196.08800	8.1
197.09668	29.0
198.10419	3.3
199.07562	5.8
199.11188	26.5
201.09105	9.8
201.12752	4.6
202.56047	3.9
203.10692	5.8
205.10168	6.1
209.09628	8.6
211.11195	49.5
213.09116	10.3
213.12840	7.7
215.10646	11.8
221.09666	8.6
223.11168	13.8
225.09132	10.4
227.10703	25.9
229.12280	10.3
235.11224	4.3
239.10716	27.2
241.12349	16.6
243.10208	13.7
243.13763	3.5
245.11722	19.4
251.10602	3.9
257.11731	21.0
259.13333	73.0
263.12808	4.2
267.13739	3.7
269.11746	14.4
271.45392	3.9
275.12820	10.7
287.12817	12.8
397.21487	3.6
425.21008	13.0
435.19672	4.9
443.22244	52.9
453.20441	16.8
461.23343	6.1
471.21838	36.9
489.22769	55.2
507.23849	100.0
525.31049	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	524.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
53.06669	1.1
55.01871	1.3
62.29197	1.1
63.27234	1.2
67.05487	3.1
69.03426	1.9
69.07054	1.2
69.37598	9.7
79.05492	3.3
81.07050	2.5
83.04967	1.1
91.05492	8.2
91.96185	1.0
93.07049	3.2
95.04944	3.1
95.08611	1.8
98.21446	1.8
103.05447	1.6
105.07043	10.3
107.08596	1.9
109.06538	1.1
115.05447	2.4
117.07030	5.0
119.08586	4.7
121.06495	2.7
121.10192	1.1
128.06226	3.9
129.07053	5.5
131.08580	7.2
133.06482	3.0
133.10146	3.0
135.08057	3.1
135.11664	1.9
141.06992	5.9
142.07744	3.2
143.08559	8.1
145.06487	4.3
145.10146	3.7
146.54071	1.0
147.08112	2.8
147.11563	1.2
149.05980	1.4
149.09695	1.2
153.07004	3.3
154.07767	3.8
155.08560	5.8
156.09314	1.5
157.10147	7.7
158.07219	1.0
159.08057	5.8
159.11597	2.4
161.09668	2.1
165.06993	3.7
166.07776	2.7
166.68164	1.2
167.08559	5.0
168.09369	3.0
169.06520	2.1
169.10117	8.3
169.86542	1.0
171.08035	7.0
171.11722	4.0
172.08777	1.5
173.09618	3.7
175.07594	2.0
175.11089	1.3
178.07816	3.4
179.08536	3.6
180.09251	1.5
181.06473	1.9
181.10089	5.9
182.07303	2.2
183.08099	5.4
183.11725	5.3
184.08771	2.7
185.09621	9.3
185.13258	1.7
185.52942	1.0
187.11206	3.8
193.10117	8.8
195.08075	3.0
195.11743	2.9
196.08784	3.3
197.09634	12.3
198.10202	1.3
199.07440	1.6
199.11203	8.8
201.09164	1.6
201.12714	1.9
205.10223	1.7
207.08096	1.3
209.09601	3.7
211.11166	13.3
213.09087	2.8
213.12756	3.1
215.10692	4.6
221.09616	2.8
222.10344	1.3
223.11206	4.1
225.09094	6.1
227.10698	13.0
229.12271	3.2
232.29718	1.0
235.11276	1.3
237.12709	1.9
239.10695	14.4
239.14189	1.1
241.12280	2.7
243.10179	4.2
245.11658	7.1
251.10641	2.9
257.11740	9.9
259.13324	7.8
269.11780	5.6
287.12762	4.0
365.89325	1.1
375.09567	1.1
425.21109	3.6
435.19739	2.1
443.22192	7.7
453.20828	7.2
471.21664	21.7
489.22745	100.0
490.23016	3.8
507.23773	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.33383	0.3
55.05508	0.6
56.05027	1.5
57.03437	0.5
57.07079	2.9
58.06576	1.7
59.07381	0.6
60.08169	16.7
63.87551	0.3
67.05499	0.8
69.07059	0.8
69.50632	2.3
71.07380	7.6
71.08634	1.3
81.07060	1.1
81.31265	0.3
83.08624	0.9
85.10185	0.9
86.09711	50.1
91.05503	0.5
93.07046	0.6
95.08605	1.5
97.10165	0.5
98.98472	3.1
104.10751	100.0
105.07037	0.6
107.08575	0.5
116.48490	0.4
119.08585	0.5
121.10109	0.4
125.00013	27.9
174.22340	0.4
179.40207	0.4
184.07353	99.1
229.11948	0.4
258.11111	0.8
334.73361	0.4
341.30429	1.7
432.07181	0.4
447.29065	0.5
472.27573	0.3
506.36069	8.5
524.37164	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	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.6
54.57995	3.6
55.05511	20.4
57.03436	11.8
57.07065	5.7
58.06606	66.9
67.05171	8.4
67.05505	100.0
69.07063	8.0
69.78519	4.0
71.56075	4.5
74.09714	12.0
79.05494	21.8
81.03413	4.6
81.07052	47.0
83.08617	9.9
88.86224	4.5
91.05475	15.6
93.07066	26.4
93.83216	4.0
95.08616	29.2
98.21157	4.1
105.07008	7.0
107.08624	15.2
109.10152	80.4
111.08107	4.3
119.08557	10.7
121.10161	13.1
133.08733	4.8
135.11674	4.8
145.10056	5.0
159.11703	7.4
173.11720	17.7
173.13182	6.5
200.91536	4.9
217.16353	5.6
229.14333	81.7
261.22116	10.9
335.25821	65.1
489.35699	34.2
506.38733	5.1
524.38983	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	524.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05501	2.1
55.57925	1.7
67.05487	5.5
69.03430	11.0
69.07064	3.2
70.06544	2.4
71.04964	2.4
71.57139	2.4
73.40990	2.0
75.04495	2.3
79.05505	9.3
81.03427	2.0
81.07047	7.2
82.17776	2.0
84.10508	1.7
84.72475	1.8
85.02896	12.5
86.09668	2.4
87.04476	4.3
88.17346	1.8
91.05473	13.1
93.03382	5.4
93.07032	5.8
95.04974	5.6
95.08601	4.0
95.71136	1.7
96.36541	2.1
97.02888	10.6
97.06551	2.4
97.53306	1.9
103.05484	12.7
105.07037	24.1
106.04201	10.6
107.04948	5.7
109.02851	2.5
109.06528	4.7
115.03919	10.4
118.04163	19.3
118.96936	1.8
119.04980	3.6
119.08570	2.6
121.06506	18.7
123.08068	2.2
123.11673	2.7
124.05208	9.6
125.05946	5.1
127.03932	2.2
131.04935	3.8
133.04958	8.4
133.06476	26.5
133.10074	2.7
134.07243	2.0
135.08046	6.0
137.05981	8.1
139.03922	2.5
145.05003	2.8
145.10205	1.8
149.05991	21.4
150.06761	12.8
151.07538	5.9
153.09113	6.5
161.05952	4.6
163.03909	2.8
163.07518	3.4
165.09158	16.6
167.07053	6.2
173.06082	1.8
177.05469	16.6
181.08630	11.8
191.07042	3.2
192.07874	2.8
193.08618	100.0
195.17279	1.9
209.08098	66.8
223.04268	7.1
273.18417	3.3
326.14014	2.1
442.79089	2.0
525.09088	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98774	1.3
53.03939	2.4
55.01865	2.0
57.03433	1.3
65.03941	1.7
66.04726	0.9
67.05490	1.4
69.03409	3.7
71.05007	6.6
71.36320	1.8
75.04467	1.6
78.04720	1.0
79.05501	6.5
79.63450	1.2
81.03463	1.0
81.07046	2.5
85.02913	3.2
85.39340	1.1
87.04473	1.8
90.04742	1.3
91.05493	11.2
93.03403	4.7
93.07028	3.5
95.04973	3.3
95.08588	2.4
97.02925	1.7
97.06519	1.4
103.05486	10.3
105.07032	18.9
106.04195	13.5
107.04974	5.2
108.05759	1.4
109.02869	2.6
109.06541	2.6
109.10130	1.2
113.57067	1.1
117.07054	1.0
118.04168	18.4
119.04941	3.6
120.05721	3.1
121.06522	18.1
123.04435	2.0
123.11749	1.4
124.05220	10.9
125.05987	4.2
125.09633	1.2
131.04945	3.9
132.05707	1.3
133.05008	1.3
133.06503	28.4
133.10033	1.5
134.03636	1.6
134.07257	2.6
134.14848	1.1
135.04390	3.9
135.08040	5.1
137.05995	5.3
145.02850	1.5
147.04379	1.1
148.05190	1.5
149.05989	23.2
150.06766	11.6
151.07553	4.5
153.09128	7.8
159.04491	1.1
161.06024	6.7
163.03865	2.0
163.07552	2.4
165.09111	15.8
167.07048	3.7
175.07530	1.7
177.05482	14.3
177.16301	1.3
181.08580	13.3
191.07109	2.5
192.07739	1.8
193.08620	100.0
195.17519	7.4
209.08107	81.3
213.18465	5.2
223.04259	9.8
233.00269	1.0
251.02338	1.1
372.14755	1.2
385.16574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96998	0.6
53.92704	0.5
55.05515	0.9
57.03437	0.8
57.07066	0.6
60.08170	0.6
65.03942	0.6
67.05502	2.8
69.07076	1.1
71.57422	0.7
79.05495	1.2
81.07054	3.2
83.08633	0.7
86.09694	1.7
87.10049	0.9
91.05486	2.1
93.07039	1.3
95.08606	2.2
96.08932	0.7
104.10752	3.6
105.07030	2.1
105.11024	0.8
107.08627	1.2
109.10152	1.3
119.08599	2.1
121.10152	0.7
125.00049	1.2
127.00448	0.9
131.08620	1.3
133.10133	1.1
137.06041	0.5
143.08606	0.9
145.10138	1.2
147.11696	0.7
149.09682	0.7
151.07570	1.2
157.10139	1.1
159.11710	1.0
161.13284	1.1
184.07352	2.4
185.07689	1.2
186.07828	1.4
187.07599	0.8
229.12360	0.5
287.12686	0.8
337.27591	1.2
338.27667	5.7
398.92697	0.5
523.28870	100.0
524.29260	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	523.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96998	0.6
53.92704	0.5
55.05515	0.9
57.03437	0.8
57.07066	0.6
60.08170	0.6
65.03942	0.6
67.05502	2.8
69.07076	1.1
71.57422	0.7
79.05495	1.2
81.07054	3.2
83.08633	0.7
86.09694	1.7
87.10049	0.9
91.05486	2.1
93.07039	1.3
95.08606	2.2
96.08932	0.7
104.10752	3.6
105.07030	2.1
105.11024	0.8
107.08627	1.2
109.10152	1.3
119.08599	2.1
121.10152	0.7
125.00049	1.2
127.00448	0.9
131.08620	1.3
133.10133	1.1
137.06041	0.5
143.08606	0.9
145.10138	1.2
147.11696	0.7
149.09682	0.7
151.07570	1.2
157.10139	1.1
159.11710	1.0
161.13284	1.1
184.07352	2.4
185.07689	1.2
186.07828	1.4
187.07599	0.8
229.12360	0.5
287.12686	0.8
337.27591	1.2
338.27667	5.7
398.92697	0.5
523.28870	100.0
524.29260	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	523.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13379	4.6
55.01870	16.7
55.05507	10.2
67.05511	8.4
67.42690	4.1
68.20067	3.8
69.03430	8.3
71.56268	5.1
79.05496	12.9
81.03402	5.6
81.07049	14.6
83.04984	6.9
91.05490	38.4
93.07033	21.0
95.04980	10.5
95.08578	5.9
97.06524	7.6
99.04455	4.7
103.05449	7.3
105.07024	33.6
106.30724	4.6
107.04952	8.8
107.08596	7.4
109.06522	6.8
115.05445	10.8
117.07021	17.6
119.04992	5.2
119.08577	23.7
121.06498	8.2
121.54638	4.5
128.06218	12.9
129.07031	29.4
131.04910	8.4
131.08578	30.9
133.06422	6.0
133.10136	13.3
135.08046	10.2
135.11647	5.3
137.05975	11.9
140.50980	4.0
141.06998	19.4
142.07785	21.1
143.08539	27.1
145.06493	17.8
145.10202	24.8
147.04362	6.1
147.08047	18.1
149.05936	6.1
149.09583	9.0
151.03891	6.4
151.07535	7.1
153.06999	22.4
154.07771	18.6
155.08557	32.7
157.06490	6.7
157.10143	33.5
159.08072	17.6
159.11682	9.7
161.06026	23.5
161.09630	10.8
161.13226	5.6
163.07423	6.6
165.06995	13.1
166.07771	12.2
167.07065	7.7
167.08575	19.1
168.09303	10.5
169.10129	51.0
171.08052	15.1
171.11708	15.9
173.06033	8.6
173.09624	16.5
175.07642	12.9
175.11130	10.4
178.07759	6.9
179.08556	12.5
181.06464	8.9
181.10176	23.0
182.07228	11.2
183.08110	24.0
183.11674	25.1
185.09634	47.6
185.13197	5.2
187.07553	5.7
187.11209	14.0
189.09131	13.2
193.10194	11.3
195.08076	11.7
195.11655	7.2
196.08861	9.4
197.09639	75.5
199.07379	5.6
199.11246	22.1
201.09149	11.9
203.10684	11.8
207.08171	8.4
207.10202	11.1
209.09570	24.5
211.07637	5.2
211.11218	25.5
213.09142	16.9
213.12654	6.0
215.10663	26.9
221.09598	10.9
223.11176	11.0
225.09105	34.8
227.10728	25.5
229.08597	7.6
229.12233	24.0
231.10072	6.9
237.09100	9.2
239.10748	14.0
241.08646	9.6
243.10181	84.8
245.11723	20.3
255.10120	14.4
257.11786	14.8
267.10114	10.1
269.11716	7.0
275.12955	4.7
276.63141	4.8
285.11285	7.0
287.13000	5.3
339.77792	5.2
395.20245	5.8
413.21255	10.2
423.19458	19.9
431.22119	7.0
441.20599	41.0
451.18808	8.7
459.21619	49.3
469.20007	20.0
477.22702	20.2
487.21167	95.3
505.22308	100.0
523.23083	25.9
523.30182	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	523.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.2
57.03422	8.3
67.05519	7.6
69.03436	26.3
69.07071	7.7
70.03756	8.0
70.49979	6.9
70.50345	6.7
71.04976	3.3
73.02915	3.5
79.05460	4.5
81.07058	25.3
82.07424	3.2
85.02922	33.2
86.03214	3.8
87.04472	18.7
91.05489	6.9
93.07041	13.3
95.08618	19.6
96.08978	5.5
97.02907	32.9
97.10155	3.0
98.03210	4.9
99.04427	3.9
99.08064	4.4
105.07053	11.0
106.07385	4.1
107.08599	20.7
107.12007	3.6
108.08920	4.6
109.10174	9.3
115.03941	35.8
116.04259	7.6
119.08598	42.0
120.08932	21.5
121.06525	3.6
121.10157	7.8
123.08102	4.2
123.11718	7.8
127.03947	5.8
133.04971	25.8
133.10138	61.6
134.05347	3.9
134.10484	35.1
135.11714	26.9
136.12033	8.2
137.05969	6.0
145.04962	4.5
149.13281	5.5
151.11192	4.1
159.85873	2.9
161.05865	3.2
163.14847	29.0
167.07054	5.0
167.14275	4.4
175.14845	49.0
176.15187	51.0
177.05283	3.3
181.15942	6.1
193.15918	18.7
194.16301	16.4
211.16957	100.0
212.17297	34.1
243.60831	3.1
266.08939	4.2
278.09506	3.0
295.10138	3.9
296.10181	4.7
319.28268	3.2
366.16895	3.6
523.21204	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	522.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
67.05520	4.2
69.07068	2.5
71.56151	2.3
71.56540	2.6
79.05496	5.9
81.07063	7.6
86.09710	5.9
91.05499	9.0
93.07054	6.6
95.08614	3.7
97.06550	2.4
104.10758	12.9
105.07027	6.9
107.08607	2.6
109.10184	3.7
117.06986	4.3
119.08583	18.4
125.00002	4.5
128.06294	2.3
129.07027	7.0
131.08574	6.6
132.56511	1.8
133.10129	4.5
135.08008	2.5
141.07011	2.8
142.07782	16.0
143.08588	9.7
145.10127	6.4
147.07988	2.3
152.06255	2.5
153.07054	8.0
155.08543	15.4
157.10141	74.6
158.10503	3.2
159.11694	7.3
161.13277	4.9
165.07079	3.5
166.07813	3.6
167.08574	14.6
168.09364	42.6
168.10698	4.0
169.10139	4.4
173.13303	3.1
175.07684	2.5
178.07822	5.5
181.06499	3.2
181.10182	20.6
183.11710	89.6
184.07396	15.2
185.13258	18.8
187.11311	2.7
193.10127	32.3
195.11731	3.0
196.08887	9.7
201.12810	4.6
201.16479	2.8
211.11200	100.0
211.29790	2.1
212.11427	3.4
229.12251	54.6
231.13843	3.4
265.76392	2.0
283.55569	2.2
317.53290	2.5
522.31409	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	522.3559
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05517	1.7
56.05038	1.2
57.07075	0.5
58.06611	1.4
60.08169	17.2
67.05505	1.3
69.07084	2.4
70.60375	0.8
70.60699	0.4
71.07384	5.5
79.05511	0.5
81.07070	1.6
83.08620	1.5
86.09713	49.5
93.07042	0.7
93.78170	0.4
95.08629	1.0
97.10149	0.6
98.98482	3.2
104.10754	100.0
105.43034	0.4
107.08620	0.4
115.26334	0.3
121.10209	0.6
125.00017	29.1
126.65188	0.4
134.81049	0.3
163.01494	0.6
184.07359	97.8
258.11057	1.3
300.47507	0.3
339.29099	1.6
350.67313	0.4
504.34518	8.3
514.92206	0.4
522.35583	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	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05043	0.5
57.03438	0.2
57.07073	0.2
58.06634	0.6
60.08168	6.9
63.41064	0.2
67.05508	0.4
69.07073	0.4
69.35168	1.2
71.07375	3.4
79.05493	0.2
81.07063	0.3
83.08614	0.2
86.09710	31.7
93.07024	0.2
95.08607	0.2
97.10181	0.2
98.98466	3.3
100.16650	0.1
104.10751	3.2
121.10168	0.2
125.00013	22.6
136.16562	0.1
138.16838	0.1
140.26402	0.2
143.01073	0.2
184.07349	100.0
185.07681	0.3
220.27965	0.2
258.10995	0.3
339.28732	0.2
504.34387	1.0
522.35699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.1
55.05518	6.9
57.03433	14.9
58.37103	4.1
67.05493	8.4
69.03437	43.7
69.07050	8.6
69.72549	19.6
79.05486	10.8
81.07095	17.9
81.07488	3.4
85.02918	40.0
87.04465	27.3
91.05476	15.4
93.07068	20.5
95.04982	8.5
95.08604	13.6
95.40752	4.0
97.02901	42.6
97.06553	5.7
103.05388	3.8
105.07027	28.3
107.04935	4.9
107.08587	12.9
109.10163	6.5
111.08027	8.4
115.03951	53.2
117.07011	4.4
119.08607	43.7
121.06528	17.6
121.10155	12.5
123.04412	10.0
127.03909	7.0
131.08607	4.0
133.04971	50.8
133.10146	26.2
135.11737	7.2
137.05978	16.9
145.04990	5.8
147.04486	4.8
147.11676	7.1
151.03822	4.8
151.07611	3.9
163.11278	4.2
167.07045	42.4
175.07581	7.4
175.14848	100.0
177.05487	6.4
177.16423	8.7
183.06535	8.4
187.07591	4.8
191.10664	3.9
193.08641	4.3
193.15898	14.5
201.05466	15.3
205.06535	15.0
207.08054	10.6
222.06746	7.7
231.06621	5.7
233.05963	17.7
235.07582	30.4
237.09206	17.4
250.06131	6.5
263.07184	6.8
265.08658	56.2
277.01215	3.8
279.06677	4.9
289.17700	3.8
293.08179	11.4
294.08737	4.9
295.09711	25.6
303.10175	5.4
318.07394	4.3
333.11108	8.6
338.14014	4.9
491.15936	4.5
498.16006	3.8
504.20074	7.4
505.18481	36.0
522.21332	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	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05494	3.0
55.87265	1.3
57.03448	7.0
57.07065	3.1
67.05500	3.5
69.03441	9.1
69.07060	4.7
71.05008	1.6
71.55378	1.3
73.02920	12.5
73.05628	1.5
78.27455	1.3
79.05475	4.3
81.07061	22.0
83.04967	1.7
83.06071	1.4
85.02910	11.6
85.06573	3.2
87.04476	10.3
91.05466	2.9
93.07072	6.7
95.08630	7.8
97.02917	10.4
105.07040	3.8
107.04944	1.3
107.08594	5.6
109.02969	2.1
109.10153	4.3
115.03940	5.8
117.07057	1.2
119.08601	4.5
121.06535	2.3
121.10157	1.9
123.04430	1.6
123.11717	39.4
125.09621	1.6
125.13254	6.6
127.03949	3.0
129.81120	1.2
133.04973	1.6
133.10147	4.3
135.11693	5.1
137.06006	2.2
145.04991	2.3
145.06389	2.0
147.11656	2.0
149.13266	2.9
151.11197	89.5
160.97353	1.7
163.03908	1.3
164.06924	1.6
167.07098	3.5
175.04250	1.3
175.14827	4.8
177.05507	2.8
193.15913	20.1
193.17487	2.5
207.08186	1.4
211.16949	100.0
215.10574	1.5
231.06593	1.9
237.77101	1.4
258.00113	5.9
295.09372	1.3
312.16022	1.3
313.04474	1.4
360.06903	2.6
489.88486	1.5
522.20453	2.8
522.27728	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	522.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
67.05520	4.2
69.07068	2.5
71.56151	2.3
71.56540	2.6
79.05496	5.9
81.07063	7.6
86.09710	5.9
91.05499	9.0
93.07054	6.6
95.08614	3.7
97.06550	2.4
104.10758	12.9
105.07027	6.9
107.08607	2.6
109.10184	3.7
117.06986	4.3
119.08583	18.4
125.00002	4.5
128.06294	2.3
129.07027	7.0
131.08574	6.6
132.56511	1.8
133.10129	4.5
135.08008	2.5
141.07011	2.8
142.07782	16.0
143.08588	9.7
145.10127	6.4
147.07988	2.3
152.06255	2.5
153.07054	8.0
155.08543	15.4
157.10141	74.6
158.10503	3.2
159.11694	7.3
161.13277	4.9
165.07079	3.5
166.07813	3.6
167.08574	14.6
168.09364	42.6
168.10698	4.0
169.10139	4.4
173.13303	3.1
175.07684	2.5
178.07822	5.5
181.06499	3.2
181.10182	20.6
183.11710	89.6
184.07396	15.2
185.13258	18.8
187.11311	2.7
193.10127	32.3
195.11731	3.0
196.08887	9.7
201.12810	4.6
201.16479	2.8
211.11200	100.0
211.29790	2.1
212.11427	3.4
229.12251	54.6
231.13843	3.4
265.76392	2.0
283.55569	2.2
317.53290	2.5
522.31409	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	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
53.38237	2.2
55.05497	2.9
57.03439	5.1
67.05503	2.8
69.03431	16.7
69.07066	6.8
69.52945	1.9
71.04984	2.6
71.24667	4.7
79.05489	5.2
81.03396	3.0
81.07051	15.5
85.02899	15.2
85.06574	3.5
85.24467	2.0
87.04467	10.0
89.03907	4.3
91.05483	22.8
93.07045	22.7
94.04164	2.9
95.04955	3.9
95.08630	12.4
97.02885	16.7
99.08102	6.4
103.05476	11.1
105.07021	19.4
107.04975	4.2
107.08552	10.6
109.06532	6.7
109.10131	4.5
111.08060	2.7
115.03938	16.6
115.05463	6.0
117.03365	8.3
117.07033	11.9
119.04910	2.7
119.08597	29.3
121.06511	78.2
121.10136	5.7
122.03639	7.4
123.11674	3.9
126.23233	2.1
127.03918	3.6
131.04878	2.4
131.08559	2.0
132.05690	2.6
133.04970	16.3
133.10126	27.7
135.04448	2.7
135.11714	10.5
137.05991	70.9
138.02252	2.6
145.02847	17.0
145.06482	12.1
145.10133	2.2
147.04428	4.7
147.11708	6.7
149.05904	4.8
151.03873	3.2
151.07568	5.0
160.05219	5.3
164.07040	5.3
167.07053	16.7
168.07362	3.1
173.06001	15.7
175.07564	6.3
175.14835	100.0
176.15201	1.9
177.05481	40.3
177.16417	4.8
188.04663	3.5
190.06255	14.9
193.15894	23.4
198.03140	3.3
201.05423	4.1
205.06679	2.2
205.08569	7.1
207.06429	3.0
211.16959	5.8
216.04146	4.9
220.03703	2.1
228.04265	2.2
231.06535	97.7
234.06877	3.4
249.09190	4.0
263.06970	3.2
264.07996	2.8
277.08588	3.5
294.09055	2.9
295.09851	4.2
326.11465	5.2
335.08969	4.6
339.12173	6.9
341.13657	2.9
355.11716	2.7
367.11908	4.4
368.14944	93.7
369.15021	3.8
374.91614	2.3
380.14676	2.5
385.12778	10.5
504.20120	8.6
505.17709	6.3
522.21356	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13599	0.8
55.05521	2.5
57.03439	9.1
58.18444	0.8
58.75080	0.8
59.05009	2.1
60.04533	2.4
61.93695	0.7
67.05519	1.4
69.03076	1.7
69.03436	30.6
69.07066	2.4
70.55599	1.9
71.05004	1.9
73.02927	1.9
75.04488	1.1
77.98979	0.9
78.93079	0.8
79.05475	1.2
81.03436	2.5
81.07064	8.1
85.02911	20.8
87.04478	19.2
91.05479	3.2
93.07059	6.2
95.05003	1.4
95.08617	15.2
97.02903	24.4
98.21371	1.2
99.08105	5.3
105.07040	9.1
107.08595	10.9
109.10189	2.2
113.09659	1.7
115.03939	30.5
119.08595	51.4
121.10177	1.8
123.08045	1.0
123.11733	3.8
127.03902	2.6
133.04980	26.1
133.10143	94.0
135.11702	22.1
137.05952	2.2
137.09659	1.3
145.04977	3.6
145.10153	0.9
147.11710	1.7
150.07649	5.5
163.06078	1.3
167.07164	2.0
175.14839	100.0
176.15169	1.1
193.15889	24.7
193.17642	1.3
211.16949	68.8
212.17303	1.4
235.07504	1.5
241.07175	1.2
253.08537	1.3
259.08081	2.1
265.08463	1.4
270.47250	0.9
277.09210	0.9
281.08115	1.0
295.09979	2.0
298.10715	2.1
377.10123	0.9
395.72803	1.0
522.21387	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	522.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29892	1.1
53.03950	3.3
54.19259	1.3
55.01876	1.4
57.03441	1.5
69.03429	1.4
69.31455	13.5
71.04993	5.8
71.99276	1.3
72.05299	1.2
79.05516	2.1
81.07047	2.9
83.05003	1.6
85.02914	5.7
86.03259	1.7
90.50023	1.4
91.05455	6.3
92.17711	1.1
93.07059	1.8
95.04984	9.9
95.08615	3.4
98.20773	2.5
103.05490	3.6
105.03359	1.4
105.07033	3.4
105.40552	1.4
106.21989	1.2
107.04982	4.6
107.08622	2.8
109.06535	2.7
119.04951	4.2
119.08575	6.9
120.08932	3.6
121.06519	4.5
121.09249	1.9
122.03675	1.6
123.04456	11.0
124.05240	1.4
129.05502	2.6
131.04933	4.2
132.05740	1.6
133.06535	1.7
133.10146	5.9
134.10503	4.2
135.11684	1.6
137.05978	8.2
140.04691	2.0
143.79654	1.3
147.04395	4.7
149.05994	5.8
151.07552	6.8
154.05045	2.3
154.06245	2.8
155.07054	5.0
161.06000	1.6
163.03925	1.8
163.07542	2.2
165.05510	1.6
165.09198	2.3
167.07071	33.5
175.03894	4.0
175.07625	1.6
175.14838	9.1
176.15176	13.7
177.05501	3.6
177.07021	3.2
177.15559	2.1
179.07138	2.5
179.08630	3.6
180.10280	1.7
181.08641	3.3
182.09476	4.0
183.06573	12.2
191.06989	2.4
191.08517	1.9
192.07892	1.6
192.10233	1.4
193.05011	1.3
194.07220	2.1
194.16455	1.9
195.08153	2.1
195.38808	1.3
205.06490	7.9
206.07220	2.9
207.06345	8.2
207.08205	8.0
208.08694	2.0
210.08766	1.7
219.08139	3.9
221.05971	1.8
221.09648	1.7
222.06754	6.4
223.07277	2.1
233.06009	5.3
234.06760	3.3
235.07539	19.9
236.08281	2.9
237.05525	3.3
237.09088	11.2
246.06882	1.5
247.07622	1.7
249.05516	1.6
250.06297	2.7
251.06966	3.4
251.10475	1.6
252.07980	6.8
253.08684	3.6
255.08829	1.8
261.05539	3.4
261.09204	1.6
262.06335	3.9
262.09622	1.4
263.07101	10.0
264.07755	4.8
265.08649	23.3
266.09119	2.3
267.10193	5.5
268.07275	2.3
268.09833	3.1
270.11343	6.6
273.25604	1.3
276.07855	5.4
277.05334	3.1
277.08731	9.2
278.06268	2.4
278.09433	6.3
279.06570	1.7
279.10223	4.1
280.07486	2.2
281.08154	5.5
283.09720	27.0
284.12738	11.9
289.08670	4.7
290.09305	1.8
291.10138	18.0
292.07437	3.9
293.08142	6.5
293.11819	13.9
294.08688	1.9
295.09671	22.7
296.09940	2.2
296.13037	1.9
298.10770	48.5
307.09558	7.4
310.10834	1.4
312.12399	7.2
319.09689	6.0
331.09827	1.9
340.11780	2.4
347.45032	1.5
360.14560	3.6
431.15268	1.4
455.14548	2.3
459.18323	1.5
461.16052	2.8
475.17752	5.1
487.17456	1.9
491.17029	15.3
493.31018	1.8
504.20358	1.5
505.18491	2.7
507.18887	3.3
522.21295	100.0
523.21167	1.9
534.38257	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30302	0.1
55.05513	0.2
56.05038	0.7
58.06383	0.1
58.06641	0.4
59.07377	0.1
60.08169	6.8
67.05510	0.7
69.07078	0.3
69.90761	0.2
69.91181	0.6
71.07378	3.5
79.05509	0.3
81.07059	0.5
83.08627	0.2
85.07903	0.1
86.09711	32.5
90.51485	0.1
95.08620	0.4
98.20820	0.2
98.98467	3.2
100.63976	0.1
104.10752	3.2
105.07058	0.2
125.00014	22.1
131.13278	0.1
143.01028	0.2
163.01575	0.1
184.07352	100.0
185.07684	0.4
258.11002	0.3
337.27301	0.2
502.32910	0.9
520.26996	0.2
520.33875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05502	0.7
56.05027	1.3
57.03447	0.5
58.06603	1.2
60.08166	16.3
60.53611	0.3
67.05511	3.1
69.07061	1.1
69.45134	0.6
69.45538	1.8
71.07374	6.0
79.05486	0.7
81.07054	2.3
83.08667	0.6
86.09706	48.6
93.07062	0.9
95.08607	1.7
98.21453	0.8
98.98463	3.6
104.10746	100.0
105.07015	0.6
107.08613	0.6
121.10132	0.6
125.00006	26.3
163.01573	1.0
184.07344	98.7
185.26616	0.3
242.78226	0.3
246.42523	0.4
252.79811	0.4
258.10904	1.7
300.44922	0.3
330.49841	0.4
337.27451	1.0
450.52524	0.4
502.32962	8.4
520.33990	27.6
547.36969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
55.05517	2.5
57.03443	7.2
57.07077	1.9
59.05003	1.9
61.02935	1.4
67.05495	5.1
69.03437	19.4
71.04998	8.2
71.55560	1.9
73.02921	3.4
75.04436	1.6
79.05505	4.6
81.03451	1.7
81.07061	5.0
83.04997	2.6
85.02917	19.1
85.06571	1.9
87.04476	12.4
91.05465	6.2
93.07022	6.8
95.04990	6.3
95.08620	8.9
97.02902	14.5
97.06538	3.2
105.07034	11.2
107.08604	10.8
109.06529	100.0
109.10168	24.0
111.08073	2.6
115.03937	14.3
117.07030	2.4
119.08577	3.7
120.73550	1.5
121.10141	5.5
123.08070	10.9
127.03938	2.4
131.08574	20.8
133.04974	13.3
133.10149	36.8
133.11197	1.9
135.07117	2.7
135.08072	38.3
135.11700	2.0
139.11159	1.9
143.08635	1.4
145.04980	2.2
145.10118	4.2
147.11694	3.5
149.09613	4.4
149.13376	3.3
150.07680	1.8
153.09119	5.1
158.10916	3.7
163.14851	2.5
167.07120	2.9
168.07494	2.0
173.13266	33.0
175.14844	3.4
176.15182	1.9
191.14328	96.4
209.15390	82.5
210.15727	2.1
251.07034	1.9
258.21936	1.3
293.75989	1.4
310.08105	1.4
373.17999	2.8
420.85791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01857	1.6
57.03440	6.3
57.07072	2.5
59.05013	1.2
61.02950	1.3
65.03944	1.2
67.05518	5.4
69.03439	16.3
69.07076	2.0
71.04993	8.0
71.57035	1.4
73.02939	2.4
79.05487	4.3
81.03436	1.6
81.07061	4.5
83.04964	1.3
84.04541	0.9
85.02906	18.2
85.06551	1.9
86.31366	1.0
87.04012	1.1
87.04465	7.6
91.05472	5.9
93.07057	6.5
95.04974	5.9
95.08607	5.1
97.02901	11.2
103.05478	1.6
105.07030	4.7
107.04961	1.8
107.08598	8.2
109.02887	1.4
109.06526	98.6
109.10165	19.9
110.06844	1.1
111.04494	1.2
111.08090	1.5
115.03934	12.3
117.07059	1.7
119.08585	3.3
120.08945	1.0
121.06528	9.0
121.10162	5.2
123.04381	1.1
123.08070	8.8
127.03925	2.5
129.05481	2.0
130.62169	1.0
131.08571	10.2
133.04982	11.1
133.10127	11.7
135.04547	1.1
135.08066	37.8
135.11722	1.2
135.30817	1.0
136.08426	1.1
137.05992	1.9
145.04980	3.3
145.10141	2.4
147.11693	2.2
149.09627	3.4
153.09122	3.8
158.10944	1.9
159.11743	1.0
161.09708	1.8
161.13318	1.2
163.14859	2.0
167.07068	5.6
173.11806	1.3
173.13278	18.2
175.14841	1.2
191.14320	64.9
204.17575	1.1
206.07222	1.6
207.08138	3.5
209.15384	100.0
233.06070	1.6
235.07503	4.8
237.09186	2.2
249.05582	1.1
261.00558	1.0
261.05334	1.0
262.06299	1.9
263.07071	3.9
265.08658	3.7
267.72922	1.1
289.08444	1.4
293.08090	2.8
297.11203	2.0
300.06015	1.1
319.09659	1.4
323.09094	1.2
325.10693	2.9
331.09695	2.1
342.10904	3.3
351.08673	7.5
357.13388	3.4
357.19046	1.2
383.11343	8.4
430.74347	1.1
503.16928	3.7
520.19745	7.3
521.27496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01876	0.9
55.05502	3.0
57.03442	11.8
59.05006	0.9
60.04515	1.2
61.02926	1.7
65.03942	0.7
67.05496	1.0
69.03428	3.0
70.55836	1.4
71.04998	87.1
73.02914	2.6
75.04473	3.9
76.09919	0.6
79.05504	1.0
80.39287	0.7
81.03429	1.1
81.67217	0.9
83.04983	13.2
85.02909	100.0
87.04477	3.3
87.24399	0.8
91.05470	1.6
93.07069	0.8
95.04968	0.9
97.02897	2.7
98.20728	0.8
99.04460	2.4
103.05469	4.9
105.07040	2.5
107.04974	5.4
107.08630	1.0
109.02895	1.2
109.06518	1.3
109.10163	0.8
111.04436	4.8
115.03949	0.9
115.05452	1.2
121.06461	0.8
127.03918	2.8
129.05487	40.2
131.04924	1.2
135.08063	6.1
139.03934	3.2
140.79445	0.7
144.06561	1.7
145.04959	1.9
146.08145	3.0
147.06537	14.7
154.06248	24.9
154.07448	1.5
161.06020	1.5
162.07674	2.7
163.07556	19.4
164.09196	6.3
165.59982	0.7
167.07074	2.5
167.08447	0.8
173.06018	2.1
175.07591	1.1
180.08855	1.1
195.10181	58.3
196.10524	1.0
205.08727	1.6
207.08510	0.8
207.10042	4.4
211.34740	0.8
217.90709	0.7
219.10181	1.6
221.08173	1.8
223.09615	1.3
231.10323	0.8
259.13293	2.0
261.11227	1.3
287.12769	1.8
305.13879	8.7
306.98129	0.8
308.13342	1.0
326.14557	1.5
350.24356	0.7
373.17984	1.3
446.62921	0.8
459.14374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05506	2.1
57.03445	3.9
57.07070	0.6
59.05016	0.6
67.05492	1.7
69.03408	1.1
69.07090	2.5
71.04997	25.7
75.04468	1.8
77.18980	0.5
79.05494	2.3
79.36976	0.5
81.03407	0.6
81.07064	9.1
83.04987	2.8
83.08615	0.5
85.02910	34.5
87.04469	1.1
91.05481	4.2
93.07049	6.1
94.57346	0.4
95.04946	0.7
95.08611	12.6
97.02866	0.7
99.08096	1.9
103.05459	0.5
105.07034	12.3
107.08607	7.8
109.10140	1.4
111.04443	1.7
113.09630	1.1
117.07019	1.0
119.08588	39.0
121.10156	0.9
121.80095	0.5
123.11684	1.6
124.51105	0.5
127.03896	1.2
129.05493	11.5
131.08569	1.1
133.10138	43.2
135.11708	9.9
137.06006	0.6
137.09608	0.6
142.88168	0.5
145.04941	1.1
145.10095	1.0
147.06519	3.9
147.11697	2.8
159.98840	0.5
167.07040	1.5
175.14836	100.0
176.15167	0.7
181.08669	0.9
193.15877	9.8
206.68384	0.4
211.16933	6.6
223.99564	0.5
257.96561	0.5
273.09677	0.5
315.84692	0.8
326.66824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
56.23992	0.9
69.03433	1.4
69.07082	1.5
70.81985	1.9
72.59412	0.9
78.04733	4.5
79.05502	5.2
79.65459	0.8
81.07074	2.1
85.02917	1.8
87.08101	2.2
91.05489	3.0
95.04975	2.0
97.02863	1.1
103.05469	0.9
105.07021	1.0
106.04208	1.2
107.04964	8.7
109.06551	1.5
109.10184	0.8
119.08570	1.0
121.06533	2.4
121.10191	0.8
123.04433	7.1
124.05215	3.2
133.10178	1.3
135.11713	0.9
137.05992	2.8
141.61530	0.9
151.03967	1.3
152.04680	2.2
167.07050	100.0
177.05481	1.1
178.07648	0.9
179.08647	4.3
189.07065	2.4
191.07057	2.2
205.06560	1.0
207.08069	19.6
217.06374	1.2
218.07317	1.0
222.06798	2.7
229.06485	1.9
231.07895	0.9
233.08072	1.2
235.07559	31.7
236.08174	1.0
237.08974	1.4
246.06851	2.6
250.06255	4.8
251.07065	2.3
257.06024	2.0
258.06946	1.3
259.07501	4.3
261.09119	8.0
263.06961	1.3
264.07693	4.5
265.08606	15.1
273.09091	2.0
274.06339	2.1
275.07178	1.6
278.05826	3.2
279.06912	1.9
287.07086	6.7
288.07809	6.5
289.08585	15.2
292.07214	2.0
293.08072	11.0
294.08801	2.0
301.08578	3.0
303.06522	2.7
304.07315	13.6
307.09708	4.7
316.03940	1.3
316.07336	10.2
318.08966	2.6
319.09665	23.9
331.09671	36.2
335.10602	1.0
348.07889	1.1
349.10815	10.1
351.09854	1.0
357.13333	1.2
363.10165	1.8
367.09726	1.5
379.09573	1.6
380.10635	1.2
391.09677	1.7
395.12863	2.3
397.10831	1.0
409.10684	1.6
421.11237	1.3
439.11710	1.8
453.13260	2.0
455.14877	3.7
470.13348	1.9
473.15894	1.4
485.16074	14.7
497.68127	1.0
503.17029	64.9
504.17209	1.4
520.19421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43442	2.3
55.01872	2.7
55.05510	7.8
57.03442	15.0
57.07080	3.2
65.03925	2.6
67.05519	21.8
69.03426	7.1
69.07080	8.2
70.25173	9.9
71.04999	74.7
73.94063	2.3
75.04492	4.8
79.05505	4.9
81.07046	15.8
83.04976	6.6
83.08648	3.2
85.02913	100.0
85.06066	3.7
85.06545	40.2
87.04458	2.4
87.13674	2.3
91.05460	5.2
93.07063	12.2
95.04989	3.7
95.08611	25.2
97.02931	2.8
97.06520	2.7
99.04439	2.7
105.07039	9.9
107.08610	15.2
109.06506	5.1
109.10167	40.2
111.04460	4.6
111.08051	4.0
111.11727	3.2
115.07564	3.3
119.08594	31.3
120.78419	2.4
121.10154	6.8
123.04286	2.3
123.08112	3.5
123.11732	5.1
125.09671	2.9
127.03961	4.0
129.05482	34.3
133.10138	47.2
135.11702	20.7
137.09630	27.3
140.56993	2.2
145.04980	3.3
145.10143	3.5
147.06555	11.7
147.11717	5.1
167.07059	5.2
175.14832	60.0
177.16312	3.6
193.15892	69.8
195.17470	14.6
201.20784	2.3
205.06552	3.0
211.16977	42.7
217.15822	2.6
221.66130	2.3
235.07678	4.3
240.41289	3.4
274.18060	2.6
299.06067	2.8
309.07642	2.9
465.10947	2.5
502.18610	2.9
519.16937	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	519.2803
Annotation	Gusanlungionoside C
Peak:m/z	Relative Intensity
50.75570	2.6
55.05511	6.6
57.03425	3.0
67.05510	7.8
69.03417	6.3
69.07063	8.4
69.53849	4.7
69.54260	13.2
71.04989	14.3
72.36307	2.3
79.05485	5.8
79.24659	2.7
81.07057	15.2
83.04971	7.5
83.08618	2.9
85.02905	17.5
91.05441	3.3
93.07049	10.0
95.08604	23.0
97.02928	3.8
98.21476	4.1
99.08085	3.5
101.20010	2.8
105.07027	5.7
107.08606	18.7
109.06556	7.2
109.09453	4.6
109.10164	62.2
117.07045	3.2
119.08583	37.8
121.10154	9.8
123.08086	7.2
123.11720	6.5
129.05486	7.0
133.10141	27.0
135.11699	68.6
137.09619	9.1
140.09499	2.5
144.31554	2.4
147.06500	4.6
149.13260	5.1
151.11185	7.1
151.14825	5.3
157.63930	2.5
175.14830	50.5
193.15901	50.0
197.91751	2.6
211.16949	100.0
323.95862	2.6
373.22083	3.5
385.43713	2.7
396.10886	2.5
479.32391	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	518.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09283	1.7
53.03938	2.9
55.01861	7.9
55.05518	3.3
57.03435	3.5
61.02921	2.2
61.88109	1.8
65.70103	1.7
67.05518	12.6
68.66084	1.8
69.03442	10.5
69.07061	3.5
70.48256	4.7
70.48608	3.4
71.04991	2.7
79.05502	10.1
81.03407	10.5
81.07063	11.1
83.04989	4.8
85.02908	21.6
87.04449	2.0
91.05450	2.9
93.07033	8.1
95.01331	3.8
95.04967	5.9
95.08619	7.2
97.02898	22.7
98.20805	2.2
99.04458	5.8
103.03943	4.2
105.07014	5.6
107.08587	6.6
109.02885	22.8
109.10152	7.5
111.04456	6.2
117.07034	2.8
119.08593	6.0
121.10182	3.9
123.04453	7.2
123.11710	1.9
127.03923	100.0
129.06982	2.0
131.08600	3.1
133.10121	2.5
135.11702	4.3
139.03908	22.4
141.05473	3.2
145.10115	2.6
149.13280	3.4
151.03929	11.3
157.05025	3.1
159.06577	2.0
159.11670	2.7
161.13303	3.4
169.04988	19.2
187.06033	22.9
201.23203	1.6
205.07127	4.5
216.06526	2.3
219.17444	2.1
223.32298	1.9
243.21046	5.3
261.22113	13.0
277.21649	3.3
360.44373	1.8
402.54602	2.0
447.27307	3.1
465.28711	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	518.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	28.0
62.20444	8.4
65.03942	9.0
67.05515	62.1
68.05859	11.2
69.03445	22.9
69.07066	45.1
69.42014	8.4
69.50121	29.3
69.50546	39.6
79.05501	55.5
81.03431	14.0
81.07056	100.0
83.04987	24.7
83.08656	23.2
85.02915	14.4
91.05456	43.5
91.75217	8.6
93.07051	84.6
95.04973	21.7
95.08613	91.2
97.02919	69.8
97.06509	19.3
97.10205	12.2
105.07042	63.6
107.08576	60.3
109.02867	13.3
109.06527	16.8
109.10166	53.0
111.04443	25.2
117.07037	15.8
119.08611	38.3
119.13058	8.8
121.10149	59.2
123.04435	11.1
123.11712	31.2
127.03942	27.9
129.07036	12.3
131.08597	38.1
133.10141	41.7
135.11694	38.9
139.11201	12.8
143.08553	18.5
145.10141	44.3
147.11690	35.8
149.13252	16.9
151.03915	20.0
155.08594	16.6
157.10165	22.6
159.11699	29.7
161.13272	32.3
163.11240	11.8
168.09428	9.7
169.04959	15.9
173.13312	21.5
181.10310	9.5
183.11800	14.4
184.07422	10.1
185.13313	10.7
201.16415	18.8
203.18010	15.2
211.11179	11.4
219.17482	32.8
233.15338	13.4
237.18481	28.1
243.21086	12.2
261.22119	46.4
315.23071	9.2
378.91922	9.3
447.27670	11.4
463.03131	9.1
465.28510	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24512	0.2
51.81910	0.2
51.89433	0.2
51.95041	0.2
55.05511	1.0
56.05046	1.7
57.03426	0.4
58.06585	1.7
59.07384	0.4
60.08168	18.4
67.05511	3.1
69.07069	0.8
69.92250	1.1
71.07381	7.9
79.05492	2.0
81.07059	2.3
83.08642	0.2
84.60423	0.2
86.09711	52.2
87.10013	0.3
91.05489	1.6
93.07053	1.8
95.04940	0.3
95.08614	2.0
98.98475	4.6
100.43800	0.2
104.10751	100.0
105.07027	0.5
105.11105	0.5
107.08643	0.9
109.06620	0.2
109.10168	0.8
109.75775	0.3
115.76701	0.3
117.07018	0.3
119.08529	0.4
121.10124	0.6
125.00014	30.5
131.08624	0.3
133.10175	0.4
135.11671	0.4
150.10442	0.3
159.11671	0.4
161.13324	0.4
163.01572	0.6
184.07352	96.9
185.07733	0.3
188.66705	0.2
201.16463	0.3
219.17549	0.3
250.69199	0.2
258.11078	1.1
318.04669	0.2
335.25790	0.8
360.04337	0.2
405.92258	0.2
441.24088	0.5
500.31387	7.4
518.32458	23.3
519.32446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01867	6.6
55.05510	6.0
57.03429	3.6
59.04986	1.1
60.32470	1.2
61.02925	3.4
65.03950	2.6
67.05508	14.3
68.99805	1.2
69.03431	12.5
69.07091	2.3
69.47437	1.6
69.47765	8.1
71.01341	1.4
71.04991	2.5
73.02921	1.2
75.36291	1.1
79.05505	11.2
81.03431	11.7
81.07058	15.2
83.04986	6.2
83.08636	2.8
85.02908	20.1
87.04446	1.8
91.05442	7.0
93.07055	16.2
95.01327	2.1
95.04984	7.4
95.08613	9.9
97.02905	26.3
97.06544	1.9
98.21490	2.1
99.04459	5.8
103.03960	3.5
105.04536	1.2
105.07064	7.3
107.08603	12.7
109.02890	23.9
109.06568	1.5
109.10164	7.2
111.00822	1.8
111.04435	6.6
111.08102	1.3
113.02394	3.1
113.06084	1.0
117.07051	2.3
119.08585	8.0
121.02976	1.2
121.10158	8.2
123.04447	7.8
123.11698	2.0
125.02388	2.3
125.09666	2.4
127.03929	100.0
131.08571	4.7
133.10109	4.0
135.11658	5.7
139.03920	20.9
141.05484	3.9
141.10678	1.3
145.10144	4.9
147.11702	4.0
149.13254	3.2
151.03889	11.4
157.04956	2.6
157.10175	1.5
159.11736	5.5
161.13263	3.9
169.05006	18.4
173.13239	3.1
175.14818	1.2
183.11765	2.5
187.06015	19.2
201.16333	1.6
205.07118	4.0
219.17514	1.8
243.21094	3.6
257.62653	1.2
261.22180	14.5
279.23193	2.2
332.52859	1.3
405.80716	1.1
429.26651	1.7
435.75491	1.2
447.27505	2.1
465.28476	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	518.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95436	9.7
55.05506	19.4
62.93699	9.7
67.05512	64.4
67.21288	10.2
69.03428	40.8
69.07072	20.4
71.04996	22.8
71.56396	13.3
79.05507	52.5
81.03427	22.5
81.07063	100.0
83.04976	13.1
86.56999	10.3
89.87622	9.8
91.05486	50.4
93.07030	74.9
95.04980	24.6
95.08628	70.3
96.97553	10.6
97.02895	73.1
97.06524	25.4
97.33065	10.9
99.02915	10.1
99.04456	38.6
102.16656	11.0
105.07022	69.0
107.08588	78.2
109.02905	23.5
109.06527	19.8
109.10156	38.1
111.04427	18.7
117.07030	19.2
119.08605	72.4
121.10159	44.7
123.04477	17.8
123.08107	16.1
123.11718	27.6
125.06018	22.1
125.09588	13.7
127.03936	16.0
129.06990	14.1
131.08565	43.9
133.10130	43.6
135.11722	28.9
139.03906	13.5
142.07729	12.0
143.08528	20.8
145.06487	15.0
145.10143	37.0
147.11687	40.1
148.43036	11.5
149.09647	11.9
149.13278	32.7
151.03902	22.3
152.07770	10.6
157.10193	13.2
159.11751	49.2
161.13246	51.7
169.04967	24.1
171.11746	23.0
173.13269	39.7
175.11206	16.2
184.12405	11.4
185.13205	15.5
189.12766	38.1
189.16422	12.7
191.14337	45.7
197.13434	12.0
203.17970	13.6
205.15915	18.0
209.15405	24.8
215.14407	13.9
219.17349	18.3
231.13741	12.6
261.22153	34.6
269.15323	12.1
274.96011	10.7
282.99219	10.8
347.12207	10.8
455.31320	19.2
465.28998	14.1
518.25635	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	516.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.4
57.05812	0.4
69.06718	0.6
69.07076	7.6
70.06605	0.4
71.57732	0.6
75.05615	2.0
83.05003	0.4
86.06073	3.4
86.09712	100.0
87.10020	0.5
96.13621	0.3
98.58199	0.3
107.23512	0.3
114.05535	9.4
114.06274	0.7
137.02385	0.4
143.11801	8.8
153.06604	0.4
171.07648	3.3
171.11438	0.4
190.20734	0.3
209.15430	0.4
215.12170	0.4
215.13879	2.1
222.24849	0.4
233.15013	5.0
238.15511	0.9
256.16580	16.5
284.16080	24.9
397.24756	1.5
402.48773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.8
62.27408	3.3
69.03429	19.7
69.07064	10.3
69.60833	10.3
69.61260	11.3
71.04993	7.1
76.31954	3.1
81.49088	3.1
87.48639	3.1
91.05488	7.4
93.07032	5.1
95.08577	6.8
99.08083	12.7
105.07032	6.3
106.14110	3.1
107.08601	7.0
109.10161	9.1
113.09661	5.7
119.08595	4.3
121.06525	17.2
125.09628	37.4
127.11205	12.3
133.10143	4.6
135.08078	26.9
145.06503	4.1
145.10115	4.0
147.08035	9.4
149.09537	3.8
157.10181	3.9
159.08049	10.1
161.09636	53.1
173.09613	17.3
175.11209	39.1
185.09572	11.8
187.11252	4.4
191.10713	4.9
193.15846	6.7
199.11192	14.2
203.14320	60.0
209.78017	3.3
213.12770	7.9
215.14359	43.6
227.14273	5.4
283.20621	17.6
301.18307	6.5
301.21649	100.0
319.22687	39.8
516.30524	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	516.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41451	2.2
55.05516	4.9
57.03435	4.5
57.07079	2.4
67.05501	4.4
69.03436	10.6
69.07081	5.2
69.60354	4.9
69.60757	11.1
71.04996	15.3
77.97537	2.4
77.97989	2.3
79.05477	3.2
81.07029	6.2
83.04990	2.6
85.02901	13.1
91.05525	11.8
93.07059	6.5
95.08628	7.8
99.08070	3.0
105.07034	38.9
107.08609	4.5
109.06490	2.6
109.10177	9.2
113.09611	4.2
116.06255	3.4
117.07035	9.4
119.04949	18.3
119.08583	56.9
121.06469	3.2
121.10114	4.2
125.09618	4.2
127.11196	33.1
130.07898	2.5
131.08569	70.3
133.10103	5.6
135.08015	2.7
142.07785	6.6
143.08572	15.0
145.10138	29.1
145.22237	2.5
146.10918	9.3
155.08568	4.6
155.10681	7.8
157.10147	12.3
159.11731	5.9
163.11234	2.7
167.07060	3.0
169.10136	6.9
171.11716	5.5
173.13347	4.2
175.11247	6.1
181.10179	4.2
182.10942	3.3
185.13248	7.7
187.11131	6.1
191.08839	2.3
191.10612	2.5
195.11739	4.4
197.13280	100.0
203.14265	3.9
209.13289	3.2
215.14317	53.5
223.14874	4.4
243.13855	19.9
255.21034	6.4
265.19556	14.1
273.22144	7.5
283.20587	33.0
301.21628	91.5
319.19104	5.4
319.22598	40.4
329.63928	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	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05035	0.7
58.06636	0.5
59.07392	0.2
60.08167	6.8
67.05510	0.5
69.07069	0.2
70.02784	0.5
71.07375	3.2
76.39045	0.1
79.05487	0.4
81.07066	0.6
86.09710	32.0
91.05494	0.3
93.07055	0.3
95.08623	0.5
98.98470	3.5
104.10752	3.1
105.07053	0.5
107.08573	0.2
109.06459	0.2
109.10190	0.2
119.08520	0.2
121.10165	0.1
125.00010	22.7
131.08609	0.2
143.01056	0.2
145.10176	0.2
184.07350	100.0
185.07675	0.4
286.05051	0.1
342.89334	0.1
436.57620	0.1
500.31201	1.0
518.32703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01861	4.5
55.05505	21.3
57.03430	8.8
57.07071	3.8
60.27290	3.7
65.03923	5.0
67.05511	80.0
69.03420	11.8
69.07076	24.2
69.49207	15.4
69.49627	10.0
71.04997	6.2
71.34370	3.2
74.19676	3.6
75.04459	3.2
79.05499	54.9
80.65461	3.4
81.03426	8.4
81.07059	100.0
83.04985	5.8
83.08608	10.1
83.40093	3.5
83.86006	3.1
85.02901	8.4
91.05488	45.1
93.07050	75.9
95.04972	9.1
95.08609	79.2
97.10184	5.2
105.07029	35.5
107.08607	34.8
109.06510	10.2
109.10147	36.6
111.08109	4.3
117.07022	16.8
119.08590	32.3
121.06493	6.0
121.10144	36.9
123.08080	4.4
123.11738	17.4
128.06267	5.3
129.07051	3.8
129.92509	4.2
131.08572	35.4
133.10130	23.8
135.08076	5.0
135.11676	31.9
137.13225	5.6
143.08571	9.0
145.10155	23.7
147.11682	25.1
149.09631	4.8
149.13268	22.5
157.10149	10.5
159.11710	21.1
161.13206	20.9
163.14870	12.7
169.10095	5.4
173.13321	16.2
175.14828	5.5
180.09236	3.6
187.14856	9.8
191.14435	7.8
199.14749	4.7
207.17215	4.0
231.24213	3.6
243.21074	28.8
261.22147	69.6
283.20496	4.3
301.21585	4.3
335.25821	13.1
353.26944	14.2
356.25690	3.7
369.24127	4.5
387.25467	7.4
497.30481	8.3
515.23486	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58861	3.1
55.05526	21.3
57.03434	11.5
60.52302	3.5
61.02943	5.4
62.49165	3.0
63.45644	3.9
65.03924	3.7
67.05508	90.1
69.03427	9.5
69.07073	22.3
69.27499	3.7
69.95351	15.7
71.04990	7.5
79.05495	64.7
81.03419	6.9
81.07062	100.0
82.63203	3.4
83.05014	6.8
83.08614	13.3
84.53197	3.0
85.02919	7.3
85.06551	6.4
91.03963	6.3
91.05489	42.1
93.07042	62.1
95.04967	10.0
95.08611	87.9
97.02883	5.1
97.06557	6.9
97.10189	4.0
97.56503	3.1
99.08075	4.5
105.07032	44.5
107.08589	52.4
108.66875	3.2
109.06538	10.7
109.10165	41.7
117.07037	18.3
117.93162	4.0
119.08614	35.4
121.10133	39.7
121.10754	2.9
123.04424	4.2
123.08042	7.2
123.11725	19.5
125.09615	5.1
129.07018	9.9
131.08569	30.9
133.10129	23.8
135.08096	7.9
135.11719	27.0
137.13229	7.1
141.07008	4.2
142.07739	6.3
143.08577	6.9
145.10170	22.3
147.08020	4.5
147.11679	23.3
149.13261	15.9
151.07687	4.0
157.10120	10.3
159.11685	23.9
161.09589	3.6
161.13277	12.2
163.14832	11.0
167.08435	4.1
171.11674	4.6
173.13287	13.9
175.14824	11.6
177.16373	4.4
183.20493	3.6
185.13295	7.7
187.14792	10.0
189.12759	3.9
201.16449	5.6
215.17943	3.7
243.21106	19.7
261.22156	68.4
335.25906	25.0
353.26822	15.2
419.27682	6.3
479.28302	5.5
497.30710	7.9
515.23944	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	516.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.5
71.57905	0.8
79.40741	0.5
85.02853	0.6
101.22720	0.5
107.08581	0.6
128.10739	0.8
163.03963	0.7
222.05479	0.7
234.05566	1.5
235.03880	0.8
248.03447	1.8
250.05016	8.8
252.06877	0.8
262.04996	2.0
264.06573	0.8
278.04510	14.5
280.03528	0.8
280.06183	0.6
292.06042	4.6
293.04474	2.0
297.11670	0.5
306.03998	13.5
308.05466	5.1
336.05026	100.0
337.05362	1.6
354.06097	13.1
433.73459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08977	6.9
54.65685	7.9
55.05509	27.8
57.03424	11.1
67.05223	6.7
67.05506	70.1
69.03429	11.0
69.07064	23.1
69.27239	7.0
70.78078	15.6
71.04969	7.4
79.05492	61.8
81.03409	12.7
81.07064	100.0
83.04987	15.3
83.08618	8.4
85.02896	12.7
91.05495	50.2
93.07053	64.1
95.04981	14.2
95.08612	62.3
96.90393	6.0
97.02911	7.8
97.06552	15.3
97.10147	8.4
99.04433	9.4
99.08067	10.9
103.09309	6.7
105.07038	41.2
107.08605	43.4
109.06517	22.5
109.10165	35.8
111.08041	7.5
117.07027	27.6
119.08602	36.4
121.06554	8.7
121.10123	32.0
123.11725	13.4
129.07030	14.4
131.08583	51.5
133.10121	28.7
135.08049	13.7
135.11717	24.6
137.09636	7.7
143.08537	11.1
145.10133	40.2
147.11678	20.3
149.13248	16.9
157.10141	23.8
159.11691	31.6
161.09575	7.8
161.13281	14.5
163.11160	7.4
166.32904	7.2
171.11671	13.6
173.13281	25.6
175.11118	8.7
175.14807	7.1
181.10062	8.9
183.11717	15.4
185.13399	9.9
201.12654	7.0
202.53845	6.8
211.11031	7.5
243.21223	14.4
261.22171	41.1
303.23346	11.9
335.25690	12.1
345.24213	13.1
345.97345	9.0
353.26587	17.3
355.67181	6.9
419.27380	8.6
479.29193	8.6
497.30753	8.3
515.26160	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.05505	13.9
57.03420	10.2
67.05500	75.9
69.03432	13.3
69.07069	22.5
69.96898	38.6
79.05486	60.9
80.43874	9.2
81.03398	11.9
81.07062	100.0
84.60203	7.3
85.02922	10.4
90.56039	8.8
91.05473	51.7
93.07060	81.3
95.04986	12.7
95.08603	70.2
96.46488	8.5
97.10186	8.8
105.07043	49.3
107.04990	8.6
107.08589	53.5
109.06505	14.0
109.10163	27.0
117.06999	25.2
119.08581	37.7
121.10147	36.4
123.11725	17.7
129.07021	14.2
131.08551	39.2
133.10104	29.2
135.08041	14.6
135.11734	22.8
142.07834	10.5
143.08568	19.7
145.10115	28.7
147.11717	17.7
149.13231	25.3
157.10143	14.7
159.11705	38.3
161.13260	19.9
163.14833	15.1
171.11540	10.7
173.13297	20.4
175.14828	10.2
185.13300	14.8
195.02640	8.3
201.12671	8.9
231.13878	11.8
243.21034	11.9
261.22043	44.9
262.14929	9.4
318.71658	9.4
335.26141	10.5
345.24326	10.3
353.27014	29.2
381.94415	8.5
461.28622	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	514.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.2
55.01862	6.6
55.05499	11.5
67.05506	29.2
69.07071	13.3
71.04989	4.6
71.55892	5.3
79.05502	27.8
80.28885	4.1
81.03425	5.7
81.07064	46.3
83.04951	4.5
83.08614	4.9
87.06217	4.0
91.05495	50.9
93.07048	35.6
95.04974	15.2
95.08624	24.5
95.66075	4.2
97.06524	16.6
105.06390	5.9
105.07040	82.3
107.08617	39.2
109.06514	11.1
109.10164	15.8
115.05461	5.4
117.07030	25.6
119.08595	70.6
121.06489	10.0
121.10178	19.0
123.11732	5.9
128.06233	14.5
129.07054	18.6
130.07776	7.0
131.08589	43.5
133.06477	4.8
133.10130	20.9
135.08040	9.7
135.11707	5.5
141.06984	14.3
142.07788	12.7
143.08582	43.1
144.09357	7.5
145.06497	7.8
145.10144	45.1
147.08058	7.9
147.11639	22.5
149.09610	6.1
149.13249	4.4
151.07535	5.6
153.06993	9.5
155.08575	34.4
156.09332	6.0
157.10149	56.1
159.08086	12.1
159.11716	89.8
161.09677	8.9
161.13246	22.7
162.56001	4.2
163.07552	6.4
165.07047	7.3
166.07715	4.1
167.08556	11.7
168.09280	11.3
169.10152	33.8
171.08047	7.5
171.11720	20.5
173.06001	5.0
173.09616	8.4
173.13303	10.4
175.07602	3.8
175.11183	5.8
177.12747	3.8
179.08583	11.6
180.09296	9.5
181.10118	18.3
182.10867	6.7
183.11682	28.3
184.12186	4.1
185.09706	4.6
185.13275	15.3
187.11189	4.8
187.14828	7.1
193.10118	14.2
195.11728	16.6
197.09691	5.8
197.13252	18.0
199.11298	5.8
199.14813	9.0
201.09007	5.3
201.12717	7.5
205.10173	4.5
207.11664	11.7
209.13322	10.5
210.10358	4.3
211.11166	13.3
211.14835	8.0
212.11713	4.1
213.09181	5.9
213.12759	7.5
215.10806	5.4
215.14293	27.0
217.12244	5.5
219.11815	5.5
219.17574	4.5
221.13387	5.9
223.11095	6.0
225.12785	10.2
227.10704	7.6
229.12296	13.7
231.13918	4.4
233.13268	6.7
233.15392	7.3
235.14799	8.1
237.12729	4.7
243.13803	5.8
247.14880	7.0
269.17758	5.1
273.15921	5.1
314.52002	3.8
330.98169	4.2
331.20724	5.7
349.21555	4.8
371.23688	5.1
387.26468	5.2
397.25635	7.7
415.26218	14.2
428.15082	9.7
433.27325	16.8
443.25818	13.8
455.13724	8.9
461.27011	22.9
471.13135	8.2
479.27832	11.5
486.15567	7.0
514.14996	100.0
514.29712	5.1
515.15186	5.2
515.55890	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	514.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.2
61.99242	3.5
67.03437	3.7
67.05502	14.2
69.03413	5.4
69.44867	30.2
79.05491	26.7
81.07066	33.8
91.05473	29.2
93.07049	25.9
95.04974	8.1
95.08610	16.1
105.06379	6.4
105.07034	70.0
107.04939	4.5
107.08614	20.7
109.06518	9.8
109.10133	8.7
117.07043	33.5
119.08592	47.1
121.06498	9.0
121.10144	11.8
123.08006	4.5
128.06215	10.2
129.07037	13.7
131.08569	52.7
133.06444	5.7
133.10146	33.0
135.07990	5.5
135.11644	5.1
141.07022	13.5
142.07793	15.4
143.08575	37.2
144.09351	7.2
145.10098	47.2
147.08115	4.8
147.11688	8.7
149.09642	6.9
155.08578	21.0
156.09323	8.3
157.10146	66.8
159.08070	8.7
159.11702	100.0
161.09656	11.9
161.13271	56.7
163.07530	6.3
167.08543	7.8
168.09393	8.2
169.10103	28.8
170.10904	6.5
171.11725	21.9
173.09566	8.9
173.13292	11.4
175.07527	5.4
175.11198	7.0
177.09052	5.7
179.08621	4.8
180.09344	4.6
181.10136	14.3
182.10796	5.5
183.11652	24.9
185.09602	11.2
185.13254	55.2
187.11182	16.0
187.14755	5.4
189.09184	4.5
189.12718	7.0
191.10719	5.1
193.10118	5.3
195.08115	5.0
195.11632	19.1
197.09624	7.1
197.13289	11.1
199.11293	5.4
199.14769	11.1
201.09026	4.9
201.12720	8.5
201.16412	4.9
203.10658	4.1
203.14355	7.6
205.12230	7.8
207.11623	5.4
207.81018	3.7
209.13306	15.1
211.11179	12.4
211.14835	9.6
212.11996	4.3
213.12746	36.3
215.10703	7.1
215.14313	5.1
217.15898	4.3
221.13266	4.9
227.10715	7.0
227.14320	11.0
229.12265	17.2
229.15961	12.5
231.13780	44.9
233.11707	4.6
233.15303	6.7
237.12846	5.1
239.14456	4.9
245.15443	9.3
247.16891	7.2
249.14771	8.5
255.13806	22.2
257.15399	7.5
273.14832	14.7
283.13309	11.0
294.09464	4.5
301.14337	7.9
301.17731	5.6
313.17841	35.1
314.16751	3.9
415.26297	18.2
425.24652	13.1
433.27365	33.4
443.25659	30.3
451.28186	27.8
461.26788	31.1
469.29529	35.0
479.28177	20.5
514.22864	7.0
514.31049	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.3
55.01862	7.4
55.05519	13.6
56.21235	5.5
61.02920	12.2
67.05514	38.2
69.03429	8.6
69.07072	19.3
69.93428	25.6
71.05016	9.2
79.05486	42.1
81.03432	12.5
81.07053	51.8
83.04986	5.7
85.02918	17.6
85.06536	8.8
86.11932	4.8
91.03964	9.2
91.05487	54.1
93.07044	62.9
95.04945	12.0
95.08605	28.8
97.02902	15.0
97.06535	10.3
97.10149	5.7
105.07035	74.1
107.04984	6.1
107.08576	43.4
109.02878	7.1
109.06548	8.9
109.10155	18.2
115.05460	6.1
117.07051	26.9
119.08573	64.8
121.06534	7.9
121.10130	23.7
123.08051	8.6
123.11702	8.8
128.06216	8.9
129.07031	24.7
131.08575	39.6
133.06526	6.3
133.10164	49.0
135.08109	9.3
135.11679	23.7
137.05989	5.8
140.68935	5.7
141.06985	7.3
142.07742	9.9
143.08565	28.1
145.06508	6.5
145.10121	41.7
147.08029	8.8
147.11705	36.2
149.13260	15.8
155.08562	8.8
156.09279	5.4
157.10188	29.7
159.08084	6.0
159.11684	35.4
161.09595	15.8
161.13237	26.6
163.07553	7.2
169.10159	11.3
171.11703	22.0
173.09648	9.3
173.13293	17.7
175.11163	8.7
175.14861	10.4
181.04936	5.9
183.11665	17.0
185.09601	7.5
185.13240	20.3
187.07411	5.9
187.11182	9.9
187.14861	9.6
189.12857	6.2
195.11743	11.8
198.09982	5.8
199.11201	7.6
199.14847	7.0
203.14195	7.3
211.11324	6.3
213.12851	6.4
227.10666	7.2
229.12119	12.4
231.13846	13.9
231.21051	5.4
241.19421	25.0
255.93488	5.4
259.20572	52.6
292.56958	5.4
349.23911	5.6
351.25366	100.0
459.25443	8.1
477.26389	15.9
495.28021	11.2
513.13733	9.7
513.28711	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	21.6
55.69431	5.4
57.03436	9.1
60.48639	5.0
61.02924	12.3
62.29974	5.9
67.05505	43.6
69.03427	14.1
69.07070	11.3
69.61864	29.1
71.04982	4.9
79.05497	45.0
81.03419	12.0
81.07048	52.6
83.04990	6.9
85.02913	18.5
91.03977	7.2
91.05481	49.4
93.07044	70.8
95.04958	8.6
95.08612	46.9
97.02910	13.3
97.06520	5.6
99.04501	6.8
105.07040	69.0
107.08588	44.2
109.10168	20.2
117.07018	22.8
119.08586	48.3
121.06532	7.1
121.10188	29.0
123.08062	6.2
125.09665	5.8
127.03951	5.6
128.66440	4.8
129.07021	14.8
131.08595	26.7
133.06636	7.0
133.10124	41.0
135.08083	11.6
135.11713	20.9
141.06981	10.3
143.08569	25.9
145.06462	7.3
145.10150	35.9
147.08076	10.1
147.11719	33.6
149.09630	5.9
149.13286	24.9
155.08571	11.7
157.10156	25.3
159.11714	40.5
161.09595	14.9
161.13292	26.4
163.14793	10.5
167.08575	9.5
168.09268	6.0
169.10129	21.5
171.11688	24.8
173.13243	10.5
175.11208	12.1
175.14754	11.8
183.11765	15.9
185.09702	10.6
185.13228	14.6
187.11295	9.1
187.14827	9.3
189.09091	5.4
189.12781	8.0
195.11668	7.1
197.09612	6.0
199.11314	5.7
199.14922	9.5
201.16541	6.4
211.11301	7.5
213.12668	8.0
215.14301	6.2
229.12254	7.0
241.19521	14.0
259.20602	57.3
277.21640	14.1
295.74390	5.8
310.73685	5.0
351.25345	100.0
438.69061	6.7
459.26248	9.0
477.27029	10.7
495.28101	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	512.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.6
55.64117	1.8
57.07079	15.5
67.05511	10.1
69.07066	7.0
70.06593	13.1
71.08645	10.1
71.56052	3.9
73.02944	2.3
79.05506	6.2
81.07064	16.6
83.08618	3.2
88.07636	15.6
89.06047	16.2
91.05484	12.8
93.07048	9.0
95.08615	19.9
97.10166	1.8
102.09193	10.5
105.07032	30.5
107.08611	10.6
109.10167	21.9
117.07059	1.9
119.08598	19.8
121.10117	8.1
123.11751	3.6
131.08571	5.3
133.08607	9.2
133.10133	16.0
135.11746	1.9
145.10141	3.2
147.11705	45.5
147.12794	3.2
151.99248	1.6
155.08612	1.7
157.10204	2.4
159.11662	2.1
161.13298	9.8
162.09949	1.7
175.14836	7.8
177.11189	2.8
183.11703	4.0
187.11322	2.0
201.12730	5.1
203.17967	100.0
204.18202	1.7
211.11154	3.0
228.23204	2.7
229.12173	5.9
247.13397	18.5
256.26392	35.5
274.27515	2.9
283.26349	38.8
283.29376	2.6
311.29309	4.2
327.20276	5.8
356.96564	1.8
512.38226	3.4
512.50433	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86744	0.7
56.96584	1.6
69.03446	1.7
70.06656	0.8
70.87594	1.5
81.03436	1.6
82.99935	0.7
84.08170	0.7
85.02903	4.0
97.01453	0.9
97.02910	1.7
98.32993	0.6
98.97586	5.1
101.00905	4.0
101.86487	0.8
103.02467	1.2
112.99188	2.1
113.00930	1.5
115.02443	6.8
116.98626	1.2
119.01917	5.5
121.38805	0.6
127.02502	0.8
127.03986	0.8
128.98663	1.0
129.04065	1.4
131.00220	1.2
131.01907	4.7
133.03468	19.9
136.06209	0.7
141.04021	1.9
143.01926	5.6
145.03532	5.6
145.05048	1.1
147.03209	1.0
147.05054	4.5
148.06609	1.1
151.04591	1.8
153.04028	1.5
154.45840	0.8
155.01897	8.3
155.02902	0.7
156.02635	1.0
157.03476	8.0
158.99777	1.6
159.03423	1.2
159.05051	10.7
161.02969	4.9
167.07082	1.5
169.03546	2.4
171.03622	1.3
171.05032	8.4
171.06360	0.8
173.02986	7.6
175.04536	4.0
177.04500	1.7
177.06129	5.9
179.01967	3.1
181.03540	0.9
183.03560	1.3
183.05060	6.6
185.02968	4.0
185.06538	3.4
187.04604	1.6
189.04514	0.8
189.06111	1.6
193.03503	1.7
195.07184	3.8
197.02994	5.1
197.06635	1.7
199.04524	1.3
201.04503	0.8
201.06120	3.7
203.04059	5.0
203.07693	1.1
205.05667	0.8
207.05080	1.4
211.04648	2.4
213.06125	2.2
218.06787	0.8
219.01877	2.3
219.07164	22.1
219.09158	1.4
221.05106	12.4
225.06316	2.0
229.09346	1.0
231.07156	26.6
232.07292	1.0
233.08740	4.8
237.02937	2.7
243.07198	0.7
245.05096	23.4
245.08867	2.7
247.06775	1.0
249.08205	0.7
255.07140	11.4
261.08319	4.4
263.06116	1.3
273.08224	9.6
282.08624	1.2
291.09207	4.6
307.06821	1.0
309.10565	1.0
310.11890	2.3
321.10361	100.0
322.10452	3.3
339.11612	6.7
351.07678	0.9
351.11581	2.4
355.09204	0.9
477.10757	3.9
495.11823	18.4
513.12891	48.3
514.13489	0.9
530.02173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.05517	2.6
65.03927	2.3
67.05504	8.7
69.03433	2.5
71.55693	3.2
79.05488	6.3
81.07063	15.2
83.04977	2.2
91.05483	11.9
93.07028	10.9
95.04959	4.9
95.08613	6.3
97.06545	2.1
103.05486	2.8
105.07040	23.8
107.04945	2.4
107.08582	8.4
109.02927	2.9
109.06561	2.1
115.05449	5.8
117.07040	11.8
119.04942	2.0
119.08572	14.0
121.06536	4.7
121.10166	5.9
123.08053	2.7
128.06239	6.5
129.07036	14.2
131.08592	13.7
133.06473	2.9
133.10121	4.2
135.08076	4.5
141.07028	10.9
142.07774	10.2
143.08585	21.8
144.09315	3.0
144.39862	2.1
145.06517	2.6
145.10135	10.7
147.08014	2.9
147.11700	2.4
149.06003	3.2
149.13231	2.2
151.07559	2.5
153.06987	5.1
154.07797	2.3
155.08554	20.4
156.09227	2.3
157.10133	34.8
157.11331	3.7
159.08063	2.4
159.11684	11.4
163.07599	2.2
165.07010	5.0
166.07881	2.5
167.08586	5.1
168.09406	16.8
169.10112	7.4
171.08066	3.3
171.11694	6.3
173.09621	4.5
173.13344	3.4
175.07576	5.4
178.07745	2.8
178.47105	2.0
180.09418	2.0
181.10098	8.7
183.08092	2.6
183.11720	50.4
184.12213	2.5
185.09642	4.4
185.13268	30.5
187.07542	4.2
189.12799	2.8
193.10197	11.1
195.11722	3.8
201.09157	5.9
201.12756	8.3
203.14388	4.2
211.11191	19.8
213.12769	7.1
229.12265	100.0
231.13809	27.2
237.12888	2.4
247.13272	5.0
249.14845	9.2
268.84399	2.2
282.48318	2.4
377.24469	2.2
459.25470	3.3
477.26804	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	512.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05030	0.5
56.71175	0.2
57.07073	0.8
67.05522	0.5
71.05005	0.3
71.08623	0.4
71.56499	0.3
74.06087	1.6
79.05526	0.2
81.07055	0.8
82.06591	2.8
84.08152	21.2
85.10198	0.4
91.05516	0.2
93.07025	0.4
95.08611	0.3
102.09189	100.0
103.09492	0.2
105.07056	0.7
107.08543	0.3
117.06973	0.2
119.08634	0.3
120.10239	2.1
125.34872	0.2
131.08626	0.4
133.10152	0.2
142.62198	0.2
143.08635	0.2
145.10147	0.3
147.11649	0.3
155.08589	0.3
157.10190	0.3
159.11746	0.8
181.10175	0.3
181.85608	0.2
183.11728	0.5
187.11221	0.2
200.06874	0.4
211.11273	0.3
229.12270	0.7
313.27396	4.5
487.06400	0.2
512.33484	1.5
512.50616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
57.03445	21.0
59.70500	0.9
61.02937	6.3
62.82137	0.9
69.03436	21.6
70.87590	1.4
70.87910	1.2
71.01350	3.3
71.05015	1.7
71.58724	0.9
73.02924	45.4
81.03415	2.9
81.07065	1.3
83.04980	0.9
85.02910	33.8
87.04446	2.3
91.05500	2.3
93.07027	1.5
95.05016	1.6
97.02898	37.8
99.04451	2.1
103.05450	1.5
105.07024	1.2
107.08567	1.1
109.02898	2.8
109.06544	1.5
111.04446	1.6
115.03937	26.5
115.05432	2.2
120.04469	1.6
127.03915	8.7
128.06233	3.6
129.07024	3.0
130.07809	1.8
131.04958	1.1
132.05704	1.7
132.06630	1.4
133.05003	7.4
137.06004	1.1
141.06985	1.6
142.07811	2.6
143.08612	1.0
145.04947	9.3
145.06110	1.0
145.06541	1.1
145.18452	0.9
147.04352	1.0
150.07645	5.5
153.07030	4.2
154.07793	2.6
155.08575	8.4
163.06067	3.7
165.07034	5.8
167.07137	1.2
167.08516	1.0
168.05702	6.4
169.10153	1.8
171.06801	1.1
171.08075	6.0
178.08690	1.2
181.06459	1.6
183.08066	100.0
184.08409	1.2
185.09549	4.5
192.78090	1.0
195.08116	2.5
197.09627	11.3
201.09143	8.9
207.08028	2.9
209.09637	3.2
211.07562	1.7
213.09024	2.2
221.09641	6.6
223.05858	1.8
223.07758	2.1
224.10760	1.1
225.09084	4.8
229.12196	1.5
235.11128	2.0
237.09131	5.7
241.07031	3.9
249.09138	2.6
251.10672	1.3
259.08163	3.0
261.09140	1.3
263.10721	2.3
267.10269	1.9
270.75662	1.1
273.03922	1.1
279.10202	4.6
291.10184	2.3
295.10382	1.7
297.11182	4.2
309.11179	6.5
327.12326	3.9
459.39279	1.1
488.52762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01861	1.9
55.05511	0.8
57.03440	20.8
61.02931	6.8
62.37739	0.5
65.03910	0.8
67.05521	0.6
69.03432	21.8
69.07055	1.0
71.01364	3.2
71.04967	0.6
71.56886	1.1
72.04524	0.7
73.02922	45.9
74.92709	0.5
79.05482	1.6
81.03421	3.6
81.07055	1.6
85.02911	31.1
87.04469	1.8
88.45994	0.5
91.03947	1.0
91.05488	1.9
93.07029	1.9
95.04952	1.3
95.08599	2.4
96.04466	0.9
97.02900	36.5
99.04444	2.1
101.02372	0.6
103.03931	0.7
103.05441	1.0
105.07033	1.9
105.35551	0.6
107.04959	1.3
107.08572	0.8
109.02865	4.1
109.06535	0.9
109.10163	1.0
115.03939	25.4
115.04750	1.3
115.05431	2.5
116.06244	1.2
117.07029	0.7
119.08591	1.7
120.04478	2.2
121.06488	1.1
127.03919	11.1
128.06232	3.9
129.06981	3.2
130.07826	0.9
131.04892	1.2
132.05698	1.9
132.06584	2.4
132.97325	0.7
133.04982	6.7
133.10120	0.7
135.04369	1.0
135.08121	0.6
135.11774	0.7
137.06018	0.9
141.07001	2.2
142.07741	1.3
144.06619	1.3
145.04982	9.4
145.06258	1.0
147.04381	0.7
150.07626	4.7
151.03938	0.7
152.06148	0.7
153.06984	5.6
154.07790	2.4
155.08577	7.5
157.10103	0.9
161.09581	0.9
162.07637	1.3
163.06047	3.4
165.07016	5.3
167.08545	0.9
168.05714	6.0
169.10088	1.9
171.08099	5.1
175.04010	0.6
178.08707	1.3
180.08720	1.8
181.06540	1.9
182.07281	2.3
183.08066	100.0
183.17453	0.8
184.08418	0.9
185.09607	3.5
193.04947	1.3
195.08109	2.2
197.09648	12.8
201.09117	7.4
207.08101	2.3
209.09654	3.0
211.07617	1.4
213.09032	1.0
221.09621	5.6
223.05933	2.3
223.07693	1.7
223.11179	0.8
224.10608	0.8
225.09155	5.1
230.12521	1.0
233.09703	1.0
235.11102	1.0
237.09085	3.8
239.10747	1.0
241.06813	3.2
249.09070	2.3
251.10728	1.9
259.08105	2.4
261.09149	1.3
263.10770	2.4
267.10196	1.9
269.91205	0.6
279.10101	4.1
281.11768	0.9
291.10168	2.2
295.10275	1.4
297.11111	4.4
301.03671	0.7
302.03726	0.7
309.11237	7.1
312.37509	0.6
314.94983	0.6
326.96497	0.7
327.12207	4.4
501.01315	0.9
512.12903	0.9
512.26447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.07063	0.8
67.05511	1.2
69.07086	0.9
71.08622	0.7
79.05494	0.9
81.07063	2.4
91.05503	1.5
93.07037	1.8
95.08603	1.8
105.07041	1.8
107.08618	1.1
109.10181	0.9
117.06951	0.7
119.08593	1.1
121.10152	0.9
126.47299	0.6
129.06969	0.8
129.68646	0.6
131.08615	0.8
133.10149	1.3
135.11716	0.7
143.08604	0.8
143.60800	0.6
145.10135	1.9
157.10133	1.3
159.11725	2.2
161.13297	0.8
164.36147	0.6
227.10687	0.7
255.23256	2.0
256.23645	3.4
277.17679	3.6
293.17233	1.8
295.18826	15.4
295.21948	1.1
325.92258	0.7
438.44809	0.7
483.53494	0.7
493.33282	4.2
511.33975	100.0
512.34277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.0
65.87058	5.1
67.05504	13.2
69.77149	13.2
69.77558	18.3
79.05510	6.1
81.07060	26.8
85.51324	4.7
91.05481	14.8
93.07043	19.3
95.08613	32.1
105.07033	37.2
107.08579	16.0
109.10139	22.2
117.06982	9.7
119.08598	26.6
121.10123	10.7
128.06210	8.8
129.06993	11.9
131.08546	18.9
133.10165	8.0
142.07799	7.2
143.08556	32.0
145.10133	26.0
147.11700	100.0
155.08514	10.6
157.06419	15.7
157.10146	16.8
159.11656	10.8
161.13315	10.4
165.07022	12.0
170.10780	5.8
171.08049	6.7
171.11696	6.3
175.07567	11.1
180.09331	7.9
185.13303	80.0
187.14847	6.2
195.11743	53.3
201.16385	7.0
203.17960	67.5
213.12744	21.7
231.13803	78.1
263.07211	5.2
308.18427	9.6
380.59775	5.6
391.78079	5.2
510.48691	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	510.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05893	2.3
50.85603	2.2
54.03601	2.8
55.05502	4.6
57.07067	2.2
63.08906	2.2
67.05499	9.8
69.07065	8.8
69.43674	6.9
69.44099	9.0
79.05494	15.6
81.07071	37.6
83.05000	2.2
83.08666	2.5
91.05492	24.2
93.07052	26.1
95.04974	3.7
95.08610	24.8
98.20882	5.0
98.21519	4.3
103.05429	2.5
105.07041	63.2
107.08614	26.4
109.06519	4.7
109.10161	9.6
115.05512	3.3
117.07000	12.3
119.08590	37.8
119.09380	4.0
121.06494	5.1
121.10157	7.2
123.08099	4.2
128.06239	14.3
129.07010	14.8
131.08585	29.1
133.10127	23.5
135.08034	2.8
135.11665	2.6
141.06992	4.6
142.07796	13.5
142.08763	2.4
143.08571	68.0
145.10124	18.2
147.08093	3.9
147.11722	10.7
155.08539	4.4
156.09335	3.1
157.10144	54.9
159.11688	28.8
161.09607	9.0
161.13266	5.9
170.10921	2.4
171.11742	16.6
173.13251	8.7
175.11209	6.5
175.14836	4.5
184.12556	5.1
185.13312	5.4
187.14850	3.1
189.16409	17.2
199.14828	100.0
201.16472	3.8
217.15897	45.6
231.13788	3.4
285.27646	2.2
318.25696	2.3
328.30844	2.6
479.00308	2.5
510.33102	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	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22133	3.1
55.05500	9.1
57.03445	6.0
57.06826	3.7
57.07081	61.3
57.44839	3.0
59.30206	2.8
61.02938	4.7
61.78701	2.7
62.94151	3.3
67.05518	18.7
69.03429	7.4
69.07059	14.1
69.41083	27.7
69.90738	3.0
71.08277	4.7
71.08635	50.7
81.03448	4.0
81.07062	24.3
83.08613	17.0
84.96923	2.8
85.02894	13.0
85.09803	3.0
85.10200	31.1
93.07025	7.4
95.08620	42.8
97.02872	5.2
97.10166	10.4
98.21571	6.0
104.10747	7.0
105.07021	8.6
107.08631	4.7
108.94674	3.0
109.10181	24.0
117.07054	3.2
119.08546	3.7
123.11698	9.6
127.03896	7.3
129.07004	4.4
129.27069	3.4
133.08458	3.5
133.10112	4.0
137.13214	4.4
142.07693	3.5
145.05023	4.6
145.10114	6.1
157.10057	7.1
183.11713	4.9
184.07321	6.1
211.11058	3.3
231.13863	6.4
239.23738	61.3
257.24765	8.1
258.03488	3.2
266.36328	3.1
313.27386	100.0
331.28336	14.1
383.27713	11.2
401.29059	19.8
510.32825	4.3
511.33316	3.6
513.63953	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	510.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05508	3.4
66.40068	1.8
67.05500	8.2
69.07057	4.8
70.92943	3.9
75.03533	1.5
75.55834	1.5
79.05491	15.3
81.07063	35.1
83.08601	1.9
91.05481	22.8
93.07050	23.5
95.04941	2.8
95.08613	22.1
97.06522	1.7
105.07038	60.5
107.08597	24.6
108.99519	1.4
109.06517	4.8
109.10155	7.9
111.08102	2.2
117.07006	6.4
119.08587	26.8
121.06487	5.7
121.10130	6.4
123.08095	3.3
123.11662	2.4
126.25185	1.6
128.06227	13.9
129.07014	13.1
131.08583	19.9
133.10143	14.7
135.08035	3.4
135.11713	2.2
141.06995	2.6
142.06767	1.7
142.07793	19.6
143.08568	66.1
144.09305	2.2
145.10147	15.1
147.08002	4.4
147.11676	9.2
149.09650	2.2
150.16420	1.6
155.08519	3.6
156.09357	4.4
157.06635	1.7
157.10138	54.1
158.10832	2.2
159.11703	23.8
161.09668	8.2
161.13257	6.5
169.10257	3.2
170.10933	3.1
171.11697	14.2
173.13266	6.6
175.11189	4.9
175.14767	3.4
184.12494	3.3
185.13235	8.8
187.14883	1.9
189.12616	1.9
189.16409	20.0
199.14830	100.0
201.16273	1.9
213.12755	4.0
217.15906	41.8
231.13861	3.7
233.46336	1.5
344.82776	1.6
405.55789	1.6
510.32117	2.3
535.24420	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3556
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05503	0.9
55.45617	0.4
56.05031	1.3
57.07076	3.2
58.06600	1.4
60.08168	17.9
64.70353	0.3
67.05508	1.2
69.07056	0.7
69.67105	2.2
70.98257	0.4
71.07380	7.1
71.08633	2.0
81.07050	1.5
83.08605	0.5
85.10193	1.3
86.09711	52.2
93.07026	0.4
94.25726	0.3
95.08611	1.5
97.10156	0.3
98.21445	0.7
98.98476	4.1
104.10751	100.0
105.07018	0.4
109.10148	0.9
119.08560	0.6
123.11705	0.3
125.00015	27.6
157.10078	0.5
163.01494	0.6
169.10136	0.5
184.07352	94.4
185.07758	0.4
205.22107	0.4
211.89107	0.4
229.12146	0.6
253.35878	0.4
258.11115	1.2
270.93652	0.4
313.27542	0.7
327.28821	1.6
332.23215	0.4
492.27768	0.7
492.34479	8.0
510.35593	27.8
511.36255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42657	10.7
67.05515	25.7
69.07041	10.8
70.88081	20.3
71.04986	13.1
79.05499	43.1
81.07069	43.5
89.38483	10.6
91.05492	72.7
93.07063	95.6
95.05006	25.1
95.08602	24.3
105.07034	100.0
107.08619	26.4
117.07034	42.6
119.08595	63.0
121.06548	23.9
121.10204	18.1
127.58366	10.9
128.06258	26.1
129.07004	32.4
131.08582	57.7
133.10133	25.8
134.10431	14.1
135.08072	20.6
141.06982	29.1
142.07811	29.8
143.08585	77.4
145.10101	58.1
147.08090	29.9
147.11766	14.1
149.05949	18.5
151.07504	13.4
155.08612	45.7
156.09303	13.5
157.10139	84.8
159.11713	73.9
161.09622	20.9
163.07585	28.1
165.06970	17.4
167.08585	14.7
168.09401	22.2
169.10190	44.9
171.08055	12.7
171.11752	35.0
173.09698	22.0
175.07556	15.4
178.87982	11.5
180.09453	10.7
181.10143	24.3
182.10831	11.9
183.11716	44.8
185.09636	19.0
185.13237	56.8
187.11205	40.0
189.09174	16.2
189.12729	12.7
193.10153	16.9
195.11758	49.0
197.13193	21.6
199.11253	40.5
211.11229	44.1
213.12791	45.6
227.10652	18.7
229.12274	58.9
231.13821	41.4
241.12321	48.5
245.11751	26.6
247.13295	16.6
259.13144	14.2
339.19614	15.9
429.24286	36.6
433.23856	11.5
439.22079	13.2
447.25150	22.5
457.23859	46.3
475.24802	51.4
511.02267	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	509.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44217	0.5
66.58904	0.5
71.56561	0.7
74.83532	0.5
75.17191	0.5
88.25645	0.6
91.03960	0.5
98.97566	0.6
114.81644	0.5
119.01922	3.7
137.02922	1.5
148.98656	0.5
158.99786	0.6
177.00970	10.6
182.99847	0.6
201.00940	1.9
216.99074	0.6
217.04105	2.7
218.49431	0.5
219.02025	21.1
220.02145	1.1
225.00774	2.5
235.00009	1.8
236.00163	1.0
236.29614	0.5
236.99713	1.3
240.98923	0.7
243.01962	10.0
259.00061	4.7
260.00143	2.7
261.03073	100.0
262.03064	3.5
263.03198	1.0
264.99008	0.9
275.04602	1.5
277.01019	4.5
278.01129	2.3
279.00906	2.9
282.99951	9.2
284.00037	6.2
284.04752	1.9
284.99811	3.9
285.85754	0.5
285.99811	0.8
301.01099	13.1
302.01154	7.4
303.00858	7.2
304.00882	0.7
319.02170	0.9
357.97501	0.7
360.99960	1.7
367.02307	2.2
385.03268	23.2
386.03485	1.1
401.01306	2.8
402.01358	1.6
402.99908	2.9
403.04913	18.5
404.04736	1.0
408.04849	0.7
425.01108	2.4
426.01132	3.0
427.01016	1.0
443.02344	4.8
444.02380	7.9
445.01984	2.4
449.82870	0.6
455.49915	0.6
467.02847	0.9
499.49612	0.8
508.50296	0.5
509.03580	8.9
510.03818	0.8
527.00989	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	508.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89306	2.2
55.05501	8.7
60.27293	2.6
67.05505	19.3
69.07068	9.9
69.56618	15.9
71.04999	3.2
74.96587	2.1
75.49168	2.4
77.03917	2.5
79.05497	17.9
79.77944	2.4
81.07061	41.5
83.05009	4.0
83.08643	3.1
91.05495	33.1
93.07047	34.0
95.04966	4.7
95.08617	23.9
97.81321	2.1
98.21130	10.0
101.54487	2.2
103.05492	3.0
105.07035	68.4
105.11137	2.6
107.08603	39.4
109.06516	6.6
109.10174	24.4
111.08118	5.9
115.05397	4.0
117.07023	12.2
119.08591	47.9
119.23529	2.5
121.06501	6.6
121.10164	14.2
123.08062	4.5
125.09661	2.7
127.11190	8.2
128.06200	12.2
129.07002	12.4
131.08582	21.0
133.10141	21.2
135.08014	4.7
141.06953	4.6
142.07793	17.5
143.08566	66.8
145.10139	26.0
147.08078	3.3
147.11664	12.3
149.09656	3.3
155.08527	5.0
156.09309	4.4
157.10147	55.9
159.11716	36.6
161.09607	6.5
161.13248	22.1
163.11212	3.3
169.10179	2.4
170.10895	3.7
171.11754	17.1
173.13287	9.6
175.11067	2.9
175.14854	6.0
177.16467	3.0
184.12469	3.9
185.11571	2.3
189.16451	19.3
199.12984	5.2
199.14835	100.0
201.16423	9.5
217.15892	46.2
219.17433	11.1
237.18494	5.1
357.66888	2.7
371.58020	3.2
501.26068	2.8
508.31064	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	508.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
54.77689	1.2
55.01857	1.2
55.05500	2.4
60.08168	7.8
67.05505	4.2
69.07059	2.2
70.57419	1.7
70.57758	2.5
71.07368	1.8
79.05499	5.5
81.07068	5.5
86.09710	21.3
91.05478	9.4
93.07069	6.8
95.04990	2.9
95.08623	3.9
97.10143	1.4
98.98489	2.5
103.05499	2.0
104.10754	40.7
105.07031	15.8
107.04955	1.3
107.08611	4.0
109.02900	1.3
109.06553	2.0
109.10167	2.4
115.05476	2.3
117.07015	3.1
119.08585	10.5
121.06535	1.9
121.10159	1.6
124.23527	1.3
125.00008	13.0
128.06264	9.4
129.07014	15.2
130.07834	1.4
131.08562	7.9
133.06482	3.0
133.10126	2.1
135.11688	1.7
141.06981	11.2
142.07814	8.6
143.08572	30.6
144.09335	1.8
145.06509	2.3
145.10124	11.9
147.11732	1.8
152.06259	1.8
153.06975	5.9
154.07816	2.9
155.08559	16.0
156.09369	17.6
157.06508	4.6
157.10138	18.5
158.07207	1.3
159.04410	1.7
159.08093	2.0
159.11708	4.2
161.09592	1.6
165.07019	8.1
165.09178	2.8
166.07813	9.7
167.08568	2.5
168.09369	4.9
169.10118	6.9
171.04498	1.4
171.08052	8.8
171.11688	26.8
173.09604	10.2
175.11212	1.7
178.07753	1.9
179.08607	4.4
180.09349	1.9
181.10139	32.2
182.10754	1.5
183.11688	14.0
184.07362	36.9
184.08876	5.7
185.05991	3.4
185.09583	2.1
185.13269	4.8
187.11197	1.7
192.09215	2.0
193.10173	3.0
195.11728	4.1
197.09605	3.8
197.13316	1.9
199.07565	4.2
199.11188	38.8
201.09102	1.5
201.12762	1.7
203.10730	1.2
207.11714	6.1
209.09659	6.6
211.11136	5.4
212.08340	1.3
213.12822	2.1
215.10715	2.2
225.12762	3.0
227.10681	100.0
228.11159	1.9
229.12224	8.5
234.37923	1.3
241.12248	1.6
245.11763	4.6
249.44823	1.2
336.26028	1.7
385.21841	1.7
409.21652	5.0
427.22644	13.2
436.82108	1.2
437.21021	2.2
445.23505	3.6
455.22125	2.6
473.23273	4.7
490.32773	3.6
491.24319	2.4
508.34357	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	508.1972
Annotation	Hygrocin B
Peak:m/z	Relative Intensity
67.71610	0.9
71.56242	0.9
79.05508	1.0
85.73931	0.7
91.05467	2.2
91.55491	0.6
93.07063	0.7
103.05473	1.7
105.07084	0.8
107.04942	1.0
119.04936	1.4
120.05753	0.7
120.79543	0.7
121.06523	2.0
123.04427	6.4
131.04938	2.7
132.05740	2.0
133.34123	0.8
135.04433	1.7
137.05983	3.6
147.04442	3.9
148.05148	0.8
149.05983	2.8
151.03915	2.0
160.07596	1.1
161.06021	2.7
163.03951	1.0
163.07555	1.1
164.07089	2.7
165.05641	1.3
165.06996	1.4
167.07089	2.1
173.05954	1.0
174.09102	1.0
175.07593	2.0
176.07056	1.0
177.05484	12.9
177.07880	7.3
178.08685	1.5
179.07040	1.9
179.08559	0.9
188.10976	1.0
190.08629	8.7
191.07065	6.6
192.07867	2.1
193.06506	1.6
202.08630	2.8
204.10176	1.2
207.06497	1.6
214.08710	1.1
216.10373	1.7
218.11755	3.6
221.06065	1.7
222.06776	1.5
225.09090	1.0
235.07547	3.3
236.08455	1.1
238.06308	5.8
239.07224	0.7
249.05708	0.8
251.07156	0.9
253.08737	2.6
263.07016	1.9
264.10300	1.1
265.08731	2.0
267.06500	0.8
269.08005	0.9
281.08087	10.6
282.11496	1.4
282.14819	1.9
283.09494	0.9
292.13342	1.4
308.09079	1.2
310.10754	6.2
310.14435	4.9
336.12292	6.5
338.13885	44.5
356.14938	46.2
357.15247	1.2
368.14996	1.8
382.09213	0.8
461.16119	1.8
472.17679	1.3
473.15854	5.8
490.18561	5.0
491.17108	1.5
508.19708	100.0
509.19946	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.8
53.48995	0.4
54.05086	0.4
55.01851	1.2
57.03383	1.9
59.04985	0.5
59.14334	0.5
61.02869	2.2
64.44062	0.5
66.55855	0.5
69.03431	10.2
70.19721	2.2
71.04951	0.9
73.02866	2.0
78.97054	0.4
79.05465	0.5
81.03422	3.7
85.02911	13.0
85.03374	0.5
87.04414	1.6
91.05434	1.1
95.04927	0.6
97.02898	6.8
97.06503	0.9
99.04404	1.2
103.05451	0.7
107.04897	2.0
109.02894	2.7
114.09148	1.4
115.05450	3.5
117.06940	0.7
119.04961	0.8
119.08508	0.5
119.50383	0.5
123.04373	0.5
125.06012	3.2
131.04868	1.8
132.54880	0.5
133.02873	5.5
135.04356	1.1
137.05994	6.5
139.03854	2.0
143.04936	16.9
145.04874	0.8
145.06477	0.6
147.08014	0.8
149.05931	0.5
151.07558	4.5
153.05478	38.1
159.04359	1.5
160.05179	1.3
160.07614	0.8
161.05969	0.9
163.07565	3.3
164.06963	0.8
165.05475	5.1
165.09009	0.7
166.08598	0.6
167.07056	7.7
174.09030	1.0
175.07561	23.7
176.08292	0.9
177.07777	2.6
177.09146	1.0
178.08620	1.9
180.10127	1.5
190.08609	2.1
191.07014	1.1
192.10217	21.3
194.11795	0.6
195.07901	1.0
206.11752	0.8
210.05811	0.8
211.07568	0.8
223.07509	2.2
234.98926	0.5
243.09972	0.7
251.06966	1.7
253.08565	1.1
255.10191	1.2
271.09518	0.9
275.89471	0.6
283.09726	3.3
285.11237	1.0
306.34726	0.6
314.13950	0.7
315.12286	7.9
346.16504	100.0
347.16904	1.8
356.01306	0.8
415.78644	0.6
508.21848	79.0
509.22089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61161	0.8
55.01855	1.4
55.27515	0.7
56.80301	0.7
65.03927	1.3
70.55423	2.3
77.34261	0.9
79.05504	0.8
85.02905	1.4
86.30831	0.7
86.91672	0.7
91.05486	7.2
94.04134	1.0
94.05128	0.8
95.04994	1.2
111.04471	0.9
115.03903	1.0
119.04949	9.7
121.06470	0.9
122.03655	2.5
123.04451	1.3
125.06010	1.1
135.69403	0.8
137.05995	28.9
137.07071	1.4
147.04420	10.9
151.07510	1.8
153.05562	1.1
154.05014	1.4
155.07033	1.0
161.05992	0.9
165.06956	2.2
177.06990	10.1
178.07794	2.4
179.07004	3.1
179.08603	6.1
183.06529	3.0
189.06967	4.7
191.07053	1.2
191.08546	4.0
192.10260	0.8
194.07272	6.6
205.06503	36.3
206.07188	2.5
207.08061	32.9
208.08669	1.8
209.09604	1.8
217.06409	1.9
219.08047	2.5
222.06757	19.5
223.07446	1.5
224.08344	1.4
233.06004	28.9
234.06712	3.7
235.07547	63.1
236.08156	2.3
237.09117	46.4
238.09297	1.0
247.07553	1.8
249.09023	1.2
250.06319	9.0
251.07007	2.7
252.07828	2.7
253.08478	1.0
257.06024	0.9
261.09146	4.5
263.07004	6.0
264.07809	8.6
265.08609	100.0
266.08945	2.8
278.09351	1.8
279.06622	3.9
280.07367	4.8
281.08099	2.4
287.07047	1.4
288.07874	1.5
289.08615	11.8
291.10114	3.2
293.04913	1.6
293.08099	22.2
294.08728	4.0
295.09668	49.3
296.09940	1.0
303.06461	2.1
304.07324	6.3
307.09650	4.4
318.08771	6.7
319.06110	1.5
319.09634	19.1
320.10126	0.9
331.09738	7.9
349.10645	7.3
370.17004	1.4
413.13654	1.3
423.12183	2.0
425.13687	3.1
443.14923	1.3
455.14954	4.6
491.17047	86.6
492.17108	2.5
508.19592	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2804
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
53.08639	12.6
54.05456	12.7
55.05513	16.4
69.03419	34.4
69.07072	26.1
70.03167	62.1
81.07059	39.3
85.02905	37.1
87.04429	13.4
93.07060	33.4
95.08613	68.2
97.02876	15.2
98.20768	18.1
101.43797	12.2
107.08597	32.3
109.06532	13.8
109.10143	21.7
115.03941	21.5
119.08549	20.0
121.06572	15.8
121.10138	51.4
123.04440	29.4
133.05006	23.3
133.10129	21.2
135.07959	12.8
135.11656	16.8
145.06400	17.1
177.16409	100.0
195.17520	26.3
208.70976	12.9
212.48947	12.4
276.62344	19.0
285.13632	18.4
291.26291	13.6
439.12253	14.3
490.15158	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	507.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60419	0.7
55.05487	2.5
56.07160	0.7
57.07071	0.8
61.46098	0.7
67.05492	3.2
69.07077	1.8
69.76734	4.1
79.05486	2.6
81.07059	4.6
83.08617	1.6
91.05466	2.9
93.07045	5.5
95.08614	3.5
102.80037	0.7
105.07027	3.1
107.08586	3.0
109.06527	0.7
109.10154	2.4
117.07046	1.1
119.08582	3.1
121.10120	2.5
123.08046	1.1
129.06929	1.0
129.66582	0.8
131.08522	1.2
133.10161	2.0
135.08017	0.8
137.47858	0.7
139.61478	0.8
143.08623	1.6
145.10143	2.1
149.09608	0.8
157.10143	1.1
159.11685	2.3
160.12067	0.9
161.13225	2.3
171.11658	1.2
183.11653	1.3
201.16533	1.4
206.79585	0.8
211.11180	0.8
219.17485	0.9
220.17610	0.9
231.13612	0.9
233.15324	0.9
259.16602	4.0
271.13052	4.3
277.17773	6.6
285.10968	11.8
287.12509	4.0
301.08734	0.8
312.86191	0.8
507.30667	100.0
508.31055	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83590	0.8
53.03962	1.1
54.50429	1.0
55.59181	1.0
60.04522	1.2
71.56365	1.2
77.04048	1.1
79.05486	3.1
81.07053	1.3
88.17187	0.9
91.05487	5.3
93.07032	2.4
93.47080	1.0
95.08587	1.6
102.04718	1.1
103.05486	12.5
104.06239	1.9
105.07044	3.8
107.04955	8.0
109.02918	1.1
110.43112	1.0
115.05485	1.9
118.04157	3.2
119.04947	3.8
121.06529	2.6
123.04436	2.8
130.04163	2.1
131.04021	1.9
131.04944	24.5
131.92958	1.1
132.05707	15.8
133.02898	1.3
133.06540	1.9
135.04440	2.6
137.05997	4.0
138.05510	2.1
144.05725	1.4
147.04407	2.7
148.05193	7.7
149.05992	4.1
151.03943	1.1
151.07549	2.8
152.06200	1.3
153.06985	2.6
157.06497	1.3
159.04366	1.1
160.05215	7.5
161.06029	3.3
163.04044	2.4
163.07547	10.2
164.04669	1.4
164.07082	1.7
165.05496	3.3
165.07016	11.1
166.07683	1.3
166.94958	1.0
167.07069	12.8
167.08467	2.1
173.06010	2.3
176.04695	2.4
177.05496	9.0
177.07027	3.5
178.07806	4.9
179.07050	7.7
179.08588	8.4
180.07834	2.1
180.10167	6.3
181.05121	1.3
181.06531	6.1
181.08614	1.3
182.07281	2.7
183.08080	2.5
189.07004	1.2
190.07867	1.6
191.07033	66.0
191.08537	5.1
192.05920	2.3
192.07828	23.3
192.10191	4.6
193.06516	12.1
193.08379	2.0
194.07213	3.6
195.06500	1.5
195.08115	2.7
205.06512	9.5
205.08467	2.3
206.07227	2.0
207.06439	6.9
207.08051	6.2
209.06018	1.7
209.09683	1.2
210.06747	5.0
211.07552	2.1
217.06525	1.7
219.08073	4.0
220.05154	3.1
221.06001	16.8
222.06737	9.6
223.07512	7.0
225.09154	8.7
226.06361	1.9
231.08064	1.8
233.05898	5.8
234.06781	2.3
235.07539	33.8
236.08282	4.4
237.05559	1.8
237.09172	8.3
238.06256	53.4
238.71878	1.1
239.07021	4.9
241.08571	1.3
247.07555	4.0
249.05481	8.6
250.06308	2.4
251.07001	9.7
253.08606	30.2
253.62050	1.1
254.05733	2.5
259.07571	1.4
262.06256	1.7
263.07043	22.9
263.09616	1.9
264.07712	2.5
265.08630	24.8
266.05731	7.1
266.09305	3.7
267.06540	5.1
267.10059	1.6
269.08115	12.1
277.08664	2.6
279.06470	1.3
279.09979	2.0
280.09671	3.1
281.08078	100.0
282.08725	11.3
283.09622	6.9
291.10165	1.3
295.09760	1.7
307.09857	2.0
309.09155	1.1
310.10931	7.3
337.08423	1.2
338.13797	3.4
356.14948	2.9
409.10907	1.3
413.13626	3.1
423.12253	1.9
431.14709	2.7
441.13260	2.9
445.16272	1.7
461.15976	13.1
473.16000	45.9
473.22845	2.3
474.16156	2.3
491.16977	15.9
508.19656	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	507.2383
Annotation	8alpha-Hypoglabroyloxyjaquinelin
Peak:m/z	Relative Intensity
53.03942	3.4
55.00428	2.1
55.01863	4.0
55.05506	3.2
57.03428	2.2
63.40803	2.0
65.03943	2.6
67.05507	6.4
69.03412	9.2
69.65945	13.3
71.04982	2.9
72.87654	2.3
79.05495	9.9
81.03410	3.4
81.07044	7.8
83.04985	2.8
87.38436	2.1
91.05483	21.9
93.07038	11.3
95.04966	5.3
95.08584	3.5
97.06531	2.7
98.21481	4.3
99.94251	2.0
103.05447	4.4
105.07052	20.7
107.04944	3.8
107.08611	6.3
109.06524	3.0
109.10175	3.6
115.05477	4.0
115.91624	2.0
117.07024	12.4
117.29650	2.0
119.04967	2.6
119.08605	13.1
121.06522	14.1
121.10152	3.6
128.06238	7.6
129.07013	19.0
131.08563	20.9
133.06493	6.2
133.10110	8.1
135.08055	9.9
141.07007	13.7
142.07799	8.2
143.08592	29.5
145.06546	10.8
145.10123	14.6
146.71077	2.4
147.08061	21.0
149.05974	8.3
149.09598	2.4
152.06218	3.5
153.06975	5.3
154.07811	12.3
155.08545	17.2
156.09305	7.6
157.06491	2.6
157.10155	13.2
158.07253	6.5
159.08038	15.5
159.11705	7.0
160.08772	3.2
161.06036	3.7
161.09637	8.0
163.07565	2.8
163.11145	4.0
165.06967	12.3
166.07808	8.1
167.08589	13.1
168.09320	6.6
169.06361	4.6
169.10167	19.2
170.07288	4.9
171.08046	24.8
171.11678	8.9
172.08847	4.5
173.09613	14.1
175.07619	3.8
175.11211	3.1
178.07825	6.8
179.08565	8.7
180.09369	5.5
181.06456	5.9
181.10136	14.3
182.07306	9.0
183.08012	16.8
183.11731	10.1
184.08858	10.3
185.09639	28.3
185.13268	8.2
187.11192	14.4
189.09084	5.5
189.12720	2.8
193.10121	8.3
194.07361	2.6
195.08054	15.1
195.11638	10.7
196.08862	7.6
197.09642	53.3
198.10385	4.3
199.07539	2.7
199.11194	38.5
201.09163	3.3
201.12764	3.4
205.10132	5.9
205.12129	3.3
207.08006	3.3
208.08829	9.3
209.09668	11.9
211.07684	3.0
211.11211	34.0
213.09183	14.7
213.12737	20.4
215.10666	17.3
215.14299	2.7
217.12270	4.7
219.07941	2.8
221.09634	7.3
223.11172	22.8
224.08148	2.7
225.09126	7.4
225.12823	4.9
227.10699	14.9
229.12250	8.7
231.10095	3.7
235.11133	6.0
237.09102	3.5
237.12633	3.0
239.10713	22.3
241.12288	18.1
243.10187	40.3
245.09488	2.9
245.11728	47.7
251.10641	5.9
253.12254	5.6
255.09973	3.1
257.11710	13.6
259.13306	100.0
263.12845	4.5
269.11804	11.8
277.14325	11.4
287.12756	14.7
356.35938	2.4
407.20206	4.1
419.22278	2.5
425.21088	10.7
443.22229	65.5
453.20267	5.2
461.23169	15.1
471.21625	16.7
489.15549	4.1
489.22714	86.6
507.23755	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	506.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	24.5
57.07069	34.4
59.04992	12.6
67.05503	84.2
69.07071	28.3
71.08620	19.3
71.58572	15.7
71.86420	11.8
79.05498	28.7
81.03410	30.8
81.07050	100.0
81.46112	12.4
82.07417	18.0
83.08604	25.8
85.06490	23.3
91.05461	59.0
93.07059	82.1
95.04974	31.8
95.08597	50.9
102.30853	12.9
105.07031	72.0
107.08576	46.0
108.08874	13.8
109.10149	55.9
112.01740	11.4
112.28218	10.8
117.06944	13.0
119.08557	52.2
121.06500	14.7
121.10126	53.1
123.11754	18.5
127.11076	12.9
129.06964	13.1
131.08591	23.7
133.10100	33.4
135.11664	13.8
143.08553	22.2
145.10132	49.7
147.11713	30.7
157.10147	45.0
158.10568	16.1
159.11705	41.0
161.13316	30.3
163.14781	14.2
173.13235	23.3
175.14793	13.1
185.13336	17.4
198.69035	11.9
199.14806	12.2
201.16418	26.5
201.81020	11.4
203.18109	14.4
219.17459	34.0
233.15427	15.5
234.28015	12.3
260.02823	11.2
320.63281	13.1
506.29379	55.3
506.33636	32.4
506.39539	43.5
507.30554	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	507.2381
Annotation	8alpha-Hypoglabroyloxyjaquinelin
Peak:m/z	Relative Intensity
52.95033	0.9
53.03947	2.5
55.01861	3.9
55.05507	1.5
55.11949	0.9
58.50090	0.9
67.05495	4.2
69.03433	5.3
69.07053	1.5
70.73019	1.6
70.73357	2.3
70.82989	0.9
79.05506	8.7
81.03411	2.7
81.07056	4.5
91.05482	14.4
93.07034	4.6
95.04955	5.2
95.08621	2.7
103.05479	3.4
105.03398	1.2
105.07037	17.2
107.04971	5.5
107.08591	2.7
109.02898	2.0
109.06502	2.3
109.89058	1.0
115.05479	4.0
117.07014	7.4
119.04947	1.8
119.08587	5.9
121.06507	6.3
128.06213	8.0
129.07010	11.5
130.07780	1.0
131.04958	3.3
131.08560	11.7
133.06467	5.4
133.10138	3.8
135.08072	4.2
141.06984	9.5
142.07787	7.6
143.08562	18.3
144.05676	1.1
145.06485	16.8
145.10150	7.6
145.64488	1.1
147.08049	7.5
149.05991	3.0
151.07553	3.0
152.06247	3.1
153.06987	9.4
154.07800	6.5
155.06071	1.2
155.07379	1.7
155.08563	19.5
156.09348	3.9
157.06561	6.3
157.10124	11.7
158.07298	6.4
159.04379	1.3
159.08058	16.0
159.11699	3.7
161.05992	1.7
161.09604	3.2
165.06993	12.0
166.07791	4.7
167.08553	11.1
168.05676	1.8
168.09357	7.7
169.06458	5.9
169.10127	13.3
170.07257	5.9
171.08058	19.6
171.11685	4.9
172.08789	3.6
173.06018	3.1
173.09621	10.6
175.07579	2.9
175.11246	1.3
178.07794	8.5
179.08571	5.8
180.09283	3.9
181.06519	8.4
181.10088	9.2
182.07285	7.3
183.04474	1.8
183.08061	18.3
183.11674	11.9
184.08856	6.0
185.06021	2.0
185.09624	30.3
185.13281	2.2
186.10370	1.3
187.07532	2.4
187.11200	12.0
189.09189	1.4
191.08548	1.5
192.09360	1.4
193.10141	20.0
194.07315	1.2
194.10724	1.0
195.08057	12.8
195.11758	5.9
196.08844	12.3
197.06039	1.4
197.09625	27.1
197.13394	2.0
198.06728	1.0
198.10347	2.5
198.70799	1.4
199.07510	2.3
199.11183	13.4
201.09213	1.5
202.07820	1.4
203.08641	2.0
204.09396	1.7
205.10144	1.9
206.07292	3.9
207.07980	1.6
207.11697	2.5
208.08826	3.2
209.09615	12.1
210.10345	1.0
211.07791	2.8
211.11186	48.5
212.08348	1.9
212.11676	1.6
213.09135	11.0
213.12724	6.7
215.10667	10.1
216.09256	1.6
217.12352	1.3
219.08101	1.4
221.09627	11.0
222.10374	1.7
223.07709	1.7
223.11171	11.4
224.08353	2.8
225.09102	7.4
225.12744	2.7
227.10666	18.7
229.12291	4.7
231.10229	3.6
231.13768	1.5
233.09576	2.6
233.11655	2.0
235.11186	2.5
237.09134	3.1
237.12758	1.7
239.10687	41.5
241.08395	2.0
241.12253	10.5
243.10023	8.2
245.09564	1.5
245.11719	12.8
249.09033	1.7
249.12746	1.7
251.10620	7.6
253.12303	3.9
257.11737	36.6
259.13312	25.5
263.14410	1.8
266.11328	1.1
267.10101	1.3
269.11710	29.6
273.12805	2.0
291.13828	4.5
295.15128	1.2
297.13019	1.3
319.13501	2.4
327.17398	1.3
337.14371	13.6
379.20847	1.9
394.21042	1.8
397.21686	1.7
407.20111	5.0
425.21277	11.6
435.19604	5.8
443.22217	32.2
453.20624	22.9
461.23111	1.8
471.21704	42.8
472.22223	1.8
489.22739	100.0
490.22964	3.0
507.23801	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	506.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12761	1.7
50.80279	1.8
53.03937	2.6
56.03386	1.5
57.03430	3.3
57.75489	1.7
59.92581	1.9
68.82009	1.7
68.99792	5.3
69.03436	11.9
70.06580	2.9
71.04991	2.3
71.55992	2.7
73.02928	2.1
77.76328	1.8
81.03437	4.7
82.93948	1.6
85.02422	2.9
85.02911	38.8
87.04488	2.0
91.05479	2.7
97.02908	8.1
105.79898	1.9
109.02871	4.9
121.02853	7.8
127.03901	5.6
138.05510	5.9
139.03970	2.0
139.05403	1.8
143.04892	1.8
145.06516	1.8
164.07112	3.5
167.04892	8.3
169.06503	6.3
171.08023	2.0
178.08603	11.5
181.06432	2.8
193.06538	2.9
195.08044	2.2
197.06018	7.7
198.06807	3.9
199.07478	2.9
201.05457	5.6
207.06528	2.5
209.05983	8.8
210.06747	5.6
211.07571	2.1
221.06061	3.2
223.07536	8.6
224.09155	7.8
225.05475	70.0
226.06239	8.8
237.05476	15.1
238.06143	6.7
239.07024	6.3
249.05472	3.0
251.07013	16.8
253.04814	2.1
253.08586	6.7
254.05836	18.7
256.07199	2.4
263.06961	2.0
265.04929	13.5
266.05716	5.0
267.06500	16.0
269.08014	7.6
271.05798	1.9
279.06546	20.1
281.07993	10.5
282.05200	6.9
283.05984	4.7
295.06015	63.9
296.06738	4.0
297.07587	17.0
309.07550	23.2
310.08176	1.9
311.05576	3.5
312.06253	15.4
315.08707	9.2
325.07062	7.1
327.08624	100.0
344.07471	3.1
344.11313	33.9
344.14966	2.3
488.15576	2.8
489.13889	57.9
506.16464	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	506.2025
Annotation	Alangiside
Peak:m/z	Relative Intensity
53.03931	1.1
55.01870	0.5
57.03427	0.9
58.34132	0.4
61.02911	0.6
65.03940	0.8
69.03429	3.5
71.56648	0.6
73.02912	0.8
73.10548	0.4
77.03906	0.8
79.05489	0.4
81.03403	1.4
84.29870	0.4
85.02906	7.3
87.04453	0.5
91.05484	21.5
93.07041	5.6
95.04949	1.4
97.02921	2.1
103.05466	3.5
105.07040	0.9
109.02872	1.1
119.04946	29.9
119.08600	0.5
121.06511	23.9
127.03911	1.5
129.03328	0.5
132.02042	0.9
133.10132	0.8
145.02908	0.6
147.04416	26.7
149.06012	0.8
151.07590	0.4
157.03951	2.8
164.04778	0.8
164.07089	1.1
166.06276	1.0
173.15179	0.4
175.03914	53.6
176.15195	1.0
177.05481	0.6
179.07011	2.3
181.08604	1.8
189.39154	0.4
192.04216	1.7
207.06537	100.0
208.06879	1.2
208.19093	0.4
251.07236	0.6
344.14941	65.2
345.15186	0.8
489.15247	0.5
506.20331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
53.14043	1.2
53.20133	1.3
53.77853	1.4
55.01862	5.5
55.05504	2.1
56.07390	1.3
67.05491	6.4
68.43954	1.3
69.03427	3.9
70.81510	1.4
71.56338	2.4
74.09686	3.0
79.05486	7.4
81.03383	1.5
81.07068	7.0
91.05484	13.5
93.07054	10.5
95.04965	6.3
95.08595	3.8
103.05473	2.1
105.07037	19.5
106.07407	1.8
107.04918	4.0
107.08601	10.0
109.06499	4.5
109.10165	7.4
115.05415	3.0
117.07031	6.9
119.04970	3.2
119.08582	23.7
121.06525	8.3
121.07256	1.4
121.10149	6.4
128.06201	4.4
129.06973	8.7
131.04932	3.4
131.08562	11.3
133.06488	4.1
133.10136	33.2
135.08081	9.0
135.11702	11.6
137.05963	3.0
137.09619	4.4
141.06976	5.6
142.07785	5.8
143.08546	10.9
145.06519	8.0
145.10100	7.2
147.08063	8.7
149.09659	12.3
151.07532	2.7
153.07022	2.2
154.07771	5.4
155.08545	7.9
157.06425	1.8
157.10159	8.1
158.07291	2.9
159.08066	11.2
159.11740	3.2
161.09612	14.6
163.07603	3.3
163.11206	4.8
165.07043	4.9
166.07742	3.5
167.08586	6.1
167.10629	3.6
168.09221	1.7
169.06487	1.8
169.10117	7.8
170.07297	2.8
171.08020	9.5
171.11670	4.6
172.08844	2.2
173.06055	2.5
173.09612	7.4
175.07579	3.6
178.07771	3.8
179.08528	3.0
179.10674	13.6
180.09300	1.9
181.06523	3.0
181.10112	5.2
182.07292	3.1
183.08032	10.0
183.11682	7.1
184.08755	3.2
185.09625	18.7
185.13063	1.8
186.10312	1.5
187.07578	3.1
187.11174	5.8
193.10197	8.6
195.08080	4.4
195.11668	3.8
196.08910	3.6
197.09644	11.5
198.10136	2.2
199.11139	9.2
201.09015	2.1
203.10435	1.6
209.09691	7.4
210.10222	1.7
211.07672	2.5
211.11171	18.9
212.11482	2.2
213.09201	7.2
213.12729	3.6
215.10628	7.2
221.09621	5.8
223.11165	5.5
225.09041	4.5
227.10683	11.7
229.12238	4.2
230.12680	1.6
231.10011	2.0
235.11174	2.0
237.09145	3.1
239.10683	13.9
241.08717	2.3
241.12215	5.9
243.10150	12.4
245.11714	9.5
249.12653	1.8
251.10643	3.0
251.14560	1.7
253.12366	1.7
257.11798	16.7
259.13239	12.3
267.10202	2.2
269.11700	9.1
285.11041	2.7
287.12891	2.7
329.18948	2.9
337.14398	4.8
347.20029	3.7
351.19687	1.7
357.18378	1.6
365.21191	11.7
375.19287	4.3
383.22006	1.9
393.20609	100.0
394.20670	2.3
397.21582	1.9
407.20392	2.2
411.21652	48.6
425.21005	3.7
429.22644	12.0
443.22321	8.0
453.20572	6.0
460.21783	3.8
471.21811	11.2
488.21417	3.2
489.22699	27.8
506.22342	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26752	0.6
53.03940	1.0
55.05523	1.2
57.03435	3.4
57.07066	0.7
67.05505	1.2
69.03075	1.0
69.03436	14.1
69.07068	2.6
72.70635	0.6
79.05493	2.0
81.07068	9.0
85.02914	9.4
87.04470	7.4
91.05481	3.3
93.07053	5.6
95.08613	11.7
96.08094	0.6
97.02901	9.7
99.08102	2.4
105.07043	11.0
107.08600	6.8
109.10154	0.9
113.09671	1.2
115.03944	10.7
119.08590	37.6
121.10112	1.0
123.11726	1.9
127.03905	1.2
133.04979	11.4
133.10141	45.7
135.11694	9.0
145.05003	0.9
146.94400	0.9
147.11684	3.0
167.05530	0.7
175.14842	100.0
176.15184	1.0
176.40935	0.8
193.15906	11.3
211.16954	9.4
217.16064	0.9
222.64949	0.7
354.69824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05497	8.9
57.03433	18.3
58.25603	8.4
67.05510	45.0
69.03439	72.5
69.07076	25.6
70.92837	21.7
79.05497	16.6
81.07047	39.3
83.08632	9.9
85.02931	61.6
85.06555	100.0
87.04453	43.7
88.38017	8.3
91.05492	16.8
93.07034	27.7
94.45330	8.0
95.08614	63.0
97.00477	9.3
97.02882	50.4
103.74181	8.9
105.07039	29.4
107.08601	33.7
109.10155	60.3
111.08064	9.4
115.03932	35.2
119.08585	51.6
121.10113	14.2
123.04460	9.4
127.04018	8.5
133.05009	49.5
133.10173	45.7
135.11696	19.4
136.60690	9.1
137.09651	47.3
147.11658	10.0
150.21924	11.1
175.14828	75.5
193.15895	93.2
195.17529	47.5
211.16949	69.6
236.28334	10.6
247.77663	10.3
338.37775	9.6
368.94409	9.9
380.66495	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	505.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88377	1.0
57.03443	1.0
59.04989	1.1
69.03452	1.6
69.18922	0.9
71.04997	2.0
71.44984	0.9
72.41863	0.9
79.05511	1.0
81.07050	1.6
83.04984	1.1
85.02907	4.8
91.05477	3.5
93.07047	3.1
95.05020	1.7
105.07056	3.2
107.08595	12.4
111.04453	1.3
115.05524	1.4
119.04944	1.0
119.08591	2.2
122.61370	1.1
129.05493	1.2
131.04942	1.5
133.10156	12.9
135.11703	13.8
137.06021	7.0
143.04973	1.6
147.04442	2.7
151.07533	2.8
151.11121	1.0
157.06500	2.5
161.06087	1.0
161.09618	8.1
162.06781	2.6
175.07585	1.3
175.14861	1.5
177.75215	0.9
178.08589	1.4
179.07042	2.9
179.10695	26.7
179.12189	1.8
181.05043	1.5
187.07521	4.6
187.57770	1.4
197.11754	100.0
208.08820	1.8
220.08881	1.0
238.09871	1.5
252.09572	2.1
268.10971	2.8
268.61169	1.9
276.62238	8.5
277.12463	3.5
285.13623	15.4
285.63705	4.3
325.64542	1.0
326.73038	1.1
359.16870	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	505.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01868	3.5
55.05503	1.7
56.98775	1.1
57.48171	1.1
58.41754	1.3
67.05497	2.9
69.03426	4.5
71.46331	2.5
71.80484	1.1
73.72948	1.3
79.05491	7.1
81.07039	3.1
91.05486	9.7
93.07051	5.0
95.04929	3.4
95.08601	2.7
103.05498	2.8
105.07039	9.9
107.08589	3.6
109.06525	1.4
115.05447	5.9
116.06244	1.5
117.07024	4.8
119.08569	5.2
121.06494	4.2
121.10136	2.0
123.04426	1.3
128.06198	7.4
129.07016	9.7
131.04948	1.9
131.08568	10.4
133.06485	3.6
133.10089	2.1
135.08072	3.0
135.11687	1.4
137.05952	1.6
141.07007	10.1
142.07834	7.6
143.08583	8.8
144.05695	1.5
145.06490	17.6
145.10133	5.1
147.08054	7.7
149.09644	1.6
152.06281	2.8
153.07011	9.1
154.07780	9.7
155.08566	15.8
156.09364	1.7
157.06505	3.9
157.10114	4.9
158.07278	4.5
159.08078	14.4
159.11731	3.3
161.06017	2.7
161.09593	3.8
165.07013	22.4
166.07790	18.1
167.08568	10.7
168.05687	3.4
168.09331	5.2
169.05238	1.5
169.06451	8.5
169.10120	10.9
170.07266	8.7
171.08057	11.4
171.11630	2.2
172.08804	4.1
173.05991	2.3
173.09663	6.2
175.07556	1.7
178.07761	8.7
179.08560	10.7
180.09354	2.7
181.06541	7.5
181.10101	21.5
182.07281	10.1
183.04594	1.6
183.08061	37.0
183.11713	5.6
184.08794	5.3
185.09608	27.7
187.11176	10.2
190.07822	2.1
191.08588	5.3
193.06546	1.9
193.10164	7.9
194.07295	13.1
195.08076	11.6
195.11777	2.0
196.08876	8.2
197.09625	58.7
199.11208	3.6
201.09096	1.8
202.07690	1.4
203.10652	1.3
205.10115	1.4
206.07286	2.5
207.08081	6.2
208.08856	2.2
209.09619	100.0
210.10287	4.9
211.07567	4.0
211.11182	23.2
213.09126	7.5
213.12764	2.6
215.10686	12.5
219.08086	7.3
220.08768	3.0
221.09604	11.2
222.06783	3.4
222.10399	1.9
223.11217	4.6
225.09152	9.0
227.10583	6.8
228.07739	1.4
229.08427	6.2
229.12132	2.4
232.08852	1.7
233.09706	2.3
233.11731	2.4
234.10329	1.9
235.11250	3.7
237.09105	32.7
237.12708	1.8
238.39380	1.6
239.10605	11.5
241.08551	2.5
243.07693	3.3
243.10161	69.2
245.09567	3.1
246.10435	2.9
247.11218	3.7
249.09094	3.2
249.12672	3.0
251.10645	3.5
255.10159	29.2
257.09357	2.1
257.11725	26.3
259.11182	2.0
261.12744	2.6
263.10706	2.0
267.10190	5.3
269.11795	2.4
271.11160	3.9
274.09979	2.0
275.10422	2.8
283.11060	1.7
285.12735	1.9
287.14236	2.4
289.12244	2.6
299.10751	1.5
299.14175	2.3
306.10202	1.4
309.12659	2.1
310.13333	2.6
311.14197	3.1
313.12283	1.7
313.15686	1.9
315.13885	2.2
317.11743	1.5
323.14163	2.7
325.12079	1.8
325.16003	1.6
334.13672	2.0
339.13791	1.9
340.14352	1.5
341.15271	1.9
349.15897	1.7
351.13461	2.1
353.15408	2.1
359.16440	7.0
363.17130	1.5
369.18622	2.4
375.13840	1.9
377.19177	3.1
387.16641	1.5
395.20074	5.8
397.18060	1.6
405.18564	4.8
413.17413	4.1
423.19644	22.5
441.20590	48.9
442.20889	1.6
451.18958	5.8
459.21713	12.6
469.20035	8.9
487.21161	31.0
505.22046	9.3
510.27087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82137	2.9
53.03942	3.6
55.01863	6.9
55.05517	67.6
57.03430	3.4
67.05511	69.1
69.03424	8.7
69.07075	30.5
69.55843	7.0
69.56255	14.8
71.04994	5.3
79.05492	40.1
81.06579	5.6
81.07059	96.0
81.32237	3.1
83.04996	5.8
83.08625	35.2
85.06547	7.3
91.05469	29.7
93.07049	41.8
95.04967	7.5
95.08613	73.2
97.06524	9.5
97.10175	66.9
105.07018	31.8
107.08600	46.4
109.06535	6.2
109.10165	35.6
111.08063	4.4
111.11743	3.9
117.07034	10.5
119.08606	22.1
121.06480	4.6
121.10166	29.2
123.08086	3.8
123.11713	17.6
123.12493	2.9
125.09647	52.2
129.07016	7.6
131.08592	24.2
133.10133	18.1
135.08067	9.7
135.11667	17.0
137.05986	4.2
137.13237	6.3
139.11203	6.9
142.37109	3.3
143.08553	10.0
145.10150	18.3
147.11678	15.5
149.05899	3.3
149.09605	7.0
149.13249	8.1
151.11188	4.1
153.09105	15.9
153.12727	3.0
155.08539	3.4
157.10135	9.7
159.08009	4.4
159.11687	23.7
161.09598	4.1
161.13287	19.2
163.11180	7.1
163.14833	8.0
171.10172	4.2
171.11655	3.8
173.13316	7.7
175.14796	4.4
177.12773	7.1
181.12312	3.4
183.11665	3.6
187.14842	6.5
189.11235	51.2
201.16437	5.8
203.17961	3.6
215.14368	5.9
229.12256	3.6
243.21123	11.2
261.22171	20.2
275.20096	11.9
279.23166	100.0
293.21100	16.5
297.24219	53.6
311.21970	6.1
395.29712	6.1
413.30481	12.3
431.25821	3.3
431.31638	64.6
449.32648	43.3
467.33914	15.2
492.83051	3.9
503.34006	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	505.2222
Annotation	Lactucin 8-O-hypoglabrate
Peak:m/z	Relative Intensity
55.01883	11.5
55.02177	1.7
65.03909	2.3
67.05512	10.5
69.03438	6.5
71.57154	2.9
79.05495	11.7
81.03412	2.5
81.07070	9.2
84.54146	1.9
91.05477	24.0
93.07054	11.5
95.04963	6.9
95.08617	7.8
103.05471	5.6
105.07046	21.5
107.04971	3.8
107.08604	6.9
109.06551	3.4
109.10188	3.2
110.89948	2.0
115.05470	9.1
117.07046	14.1
119.04974	4.2
119.08581	11.0
121.06509	7.3
121.10164	3.7
128.06229	12.5
129.07010	22.0
130.07828	3.2
131.04938	4.3
131.08591	21.3
133.06505	5.3
133.10162	6.2
135.08076	6.3
135.11676	2.5
137.05942	2.6
141.06992	22.4
142.07780	16.8
143.08562	24.3
145.06502	17.6
145.10127	14.8
146.80342	2.4
147.08043	17.4
147.09058	2.2
149.05963	3.2
151.07512	4.5
152.06271	7.2
153.06989	15.4
154.07759	19.9
155.08559	32.7
155.34113	2.1
156.09338	6.7
157.06549	10.5
157.10146	23.5
158.07246	5.2
159.08101	17.0
159.11787	10.3
161.05927	2.2
161.09666	7.2
161.13290	2.1
165.06998	18.7
166.07788	18.0
167.08588	17.4
168.05791	3.4
168.09334	11.3
169.06508	9.4
169.10136	36.1
170.07306	15.3
171.08064	19.9
171.11716	6.0
173.05994	5.3
173.09651	18.0
175.07565	12.8
175.14912	2.4
178.07846	9.8
179.08562	13.8
180.09314	2.6
181.06516	10.9
181.10086	20.6
182.07256	19.1
183.08070	36.0
183.11681	18.0
184.08881	7.4
185.06053	3.1
185.09624	66.8
185.13330	2.7
187.07640	3.1
187.11208	10.7
189.09222	3.0
190.07817	2.2
191.08681	3.8
193.10194	12.9
194.07335	6.5
195.08037	14.3
195.11749	3.9
196.08781	10.9
197.05904	2.6
197.09624	78.1
199.07614	3.1
199.11203	13.4
201.09161	12.1
201.12843	4.2
203.08937	2.6
203.10750	8.9
206.07246	3.6
206.10811	2.4
207.08080	6.8
209.09645	49.3
211.07620	7.1
211.11171	30.7
213.09108	23.5
213.12790	3.3
215.07045	2.5
215.10638	20.6
217.15912	2.5
220.09027	3.0
221.09601	10.7
223.11247	6.2
225.09082	28.4
227.10661	12.4
229.08627	5.7
229.12137	11.1
231.10071	3.1
233.09586	3.7
235.11237	2.9
237.09114	13.5
237.12798	2.3
239.10687	22.8
241.08762	6.3
241.12285	4.3
243.07689	4.2
243.10155	82.3
245.11882	5.2
246.10464	3.2
247.11307	4.8
249.09090	3.4
249.12717	2.4
255.10208	10.1
257.11737	18.5
259.09601	2.5
267.10248	10.1
269.11798	5.9
285.11063	10.4
310.13544	2.6
357.15082	3.3
395.20001	8.2
405.18713	4.9
413.21246	3.9
423.19540	13.1
433.18076	2.7
441.20615	61.6
451.19092	12.0
459.21664	24.7
469.20203	22.8
477.22733	5.0
487.21164	100.0
488.21579	3.1
505.22278	74.5
505.29114	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	504.1869
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
65.51514	0.3
70.06580	0.4
71.55407	0.3
71.55847	0.4
80.27831	0.3
85.02905	0.4
91.05868	0.3
96.08150	0.3
109.02885	0.3
114.09170	0.5
123.04406	0.6
129.10156	0.4
137.02309	0.5
137.05954	1.0
139.03783	0.4
149.05930	0.6
151.03920	10.8
151.05029	1.0
151.07529	0.7
160.07503	0.4
160.09677	0.5
162.05460	1.5
162.09135	0.7
174.09131	0.6
176.07092	1.5
177.07886	1.9
178.08589	0.7
183.75258	0.3
190.08641	1.3
191.09406	0.5
192.06467	0.3
192.10187	3.7
216.42044	0.3
235.07573	0.4
252.10245	0.4
256.07254	0.4
256.09729	0.6
266.08136	0.6
268.09723	0.6
270.11276	0.8
275.47583	0.3
280.09692	0.6
281.10574	0.6
282.11176	0.9
284.09235	1.0
293.07895	0.4
294.07547	0.7
296.09055	0.5
297.10052	0.4
298.07468	0.7
298.10730	8.7
299.11581	0.6
308.09549	0.4
309.09933	0.9
310.10797	3.0
312.08517	1.7
313.09372	1.0
314.10110	0.4
314.13806	0.6
324.12308	0.4
326.10236	8.5
327.11026	11.6
328.11517	0.4
342.13379	100.0
343.13745	1.3
382.53238	0.3
417.03354	0.4
433.32602	0.3
487.06750	0.4
504.18686	34.7
505.18781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12127	2.0
68.39287	1.8
69.03433	7.2
70.96754	5.1
75.40045	1.8
82.99866	3.0
84.28653	1.9
85.02917	10.7
94.49760	1.6
97.02914	4.7
101.00914	9.4
109.02975	2.0
113.00851	2.5
114.09177	4.6
115.02428	2.0
119.01936	13.2
123.04446	5.4
127.03913	4.8
131.01915	3.4
139.02579	1.7
139.03896	5.5
143.01917	54.1
145.01752	2.7
145.03459	7.8
145.05026	3.2
153.05818	2.1
155.01910	29.0
157.03465	7.2
161.02985	46.1
161.05614	5.4
167.01909	31.5
169.03470	4.2
171.05106	2.5
173.02959	34.4
175.04485	3.9
179.01990	2.0
185.02974	67.1
187.04639	2.2
191.04041	2.7
197.03046	9.3
199.04341	2.1
203.04018	41.0
209.02983	3.7
215.04054	15.6
219.07175	2.4
221.03133	2.4
221.05101	3.5
227.04004	19.2
233.05119	10.5
242.08144	3.4
245.05133	25.2
251.06198	4.6
251.08678	5.6
257.04901	3.1
263.06131	18.1
272.06540	1.8
281.04413	2.9
281.07260	41.0
282.07581	2.6
283.08670	2.6
293.07349	2.8
305.07233	2.8
321.10440	4.9
323.08267	100.0
335.08298	14.8
335.11877	2.1
337.10043	2.6
347.08420	5.5
353.09302	14.7
365.09470	3.1
443.98828	2.3
503.06018	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28458	7.3
55.01876	13.2
55.05509	19.6
56.68178	6.4
57.03435	15.2
61.02921	9.2
63.23796	6.4
67.05511	76.1
69.03431	85.6
69.07052	12.5
70.94685	15.0
70.94995	8.5
71.01357	7.7
71.04993	10.2
73.02915	10.8
79.05499	57.7
81.03425	98.6
81.07062	59.4
83.04989	43.7
85.02896	40.2
87.02370	6.3
89.31271	6.6
91.05487	25.4
93.07050	49.1
95.04976	45.9
95.08607	41.2
97.02895	22.8
97.06529	13.3
99.04456	40.1
103.03949	48.5
105.07033	23.7
107.04974	24.0
107.08607	29.1
109.02870	11.9
109.10152	37.0
111.04449	100.0
114.71760	6.6
115.03970	14.8
119.08603	23.7
121.10165	30.1
123.04458	21.9
123.11749	12.7
125.06019	18.2
127.03914	8.1
129.05513	13.0
129.06953	7.8
131.08589	19.1
133.10097	12.6
135.04416	10.0
135.11693	18.6
141.05502	18.8
145.10179	16.5
147.11687	13.6
149.13283	11.1
153.05510	41.0
157.10104	8.7
159.11668	12.5
161.09703	8.6
161.13264	6.9
163.14799	10.4
168.57599	7.4
171.06520	61.8
173.13176	8.2
189.07605	12.0
207.08684	24.6
225.09705	11.1
243.21172	12.8
261.22144	33.9
279.23206	15.8
449.29208	10.0
467.30203	22.1
503.27432	33.6
503.33862	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	502.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.6
55.05505	8.4
63.15394	2.6
67.05506	16.7
69.07071	10.8
69.77923	13.7
70.01519	2.4
71.04993	8.7
74.78370	3.0
79.05496	8.3
81.07060	29.7
83.04954	3.5
83.08628	3.9
85.06534	8.1
91.05489	23.0
93.07047	63.1
95.04978	5.3
95.08615	32.4
95.22552	2.3
97.06529	6.2
98.21540	2.8
99.08073	3.1
101.06015	5.0
105.07042	51.9
107.08591	28.9
109.09458	5.3
109.10162	80.0
111.08101	27.4
113.09609	4.9
117.07024	4.9
119.08588	46.9
121.10143	27.3
123.11729	3.0
125.09653	10.4
127.11197	45.3
129.07068	3.5
131.08572	13.8
133.10147	20.8
135.11693	3.5
139.11174	6.1
139.77957	2.4
144.09427	3.0
145.10127	40.0
147.11696	15.0
149.13304	3.9
157.10155	3.8
159.11710	53.8
161.13269	100.0
163.11189	5.5
173.13297	13.3
175.14906	12.2
177.12804	4.1
177.16383	9.7
179.14355	7.5
179.50201	2.5
185.13281	5.3
191.17993	5.6
201.16400	65.3
219.17459	81.8
226.41812	2.5
231.13823	3.7
237.18521	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.3
57.07066	5.9
60.29971	2.0
60.75208	2.1
67.05495	4.5
69.07073	21.0
70.39182	7.0
71.08640	2.3
79.05523	2.5
81.07056	9.4
81.10573	2.0
83.08617	11.0
88.87335	2.0
91.05580	2.2
95.08614	8.0
95.39422	1.9
97.10178	5.7
105.07027	4.0
107.08627	3.5
109.10169	6.4
119.08539	2.4
121.06534	2.0
121.10120	4.4
123.11676	3.2
135.08057	2.6
137.09605	9.3
149.09631	8.4
159.11664	3.3
161.09537	2.5
163.11151	6.5
164.08371	2.6
165.09125	100.0
165.10522	4.9
171.11607	2.9
173.09572	3.1
175.11238	2.0
177.09140	6.6
187.11148	2.6
189.09097	2.9
189.12801	3.4
191.10754	6.9
203.10684	6.4
205.12251	7.8
219.13861	2.3
227.67972	2.3
231.13712	2.5
279.43796	2.1
302.27219	2.3
427.35602	13.5
445.36697	6.0
476.61792	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	503.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.1
69.03433	7.4
71.55172	1.9
71.55532	1.9
73.02894	2.1
76.08170	1.5
81.03446	3.1
82.99890	2.5
85.02895	12.1
94.99858	1.7
97.02910	7.4
101.00875	9.2
110.90843	1.8
114.09203	2.9
119.01929	13.5
122.28185	1.6
123.04450	5.1
127.03928	8.4
131.01927	4.2
139.02545	2.0
139.03900	2.8
143.01906	60.1
144.01930	1.9
145.03502	9.2
145.04892	2.4
153.04124	2.3
155.01910	34.1
157.03491	6.6
161.02966	45.2
161.05618	5.1
162.03130	2.0
167.01910	36.4
169.03522	3.5
170.06107	5.1
171.05067	2.4
173.02975	36.5
175.04495	3.2
185.02968	76.6
186.03148	2.2
187.04535	3.6
191.00383	1.7
191.03966	2.7
197.03020	7.5
199.04465	3.1
203.04004	35.7
215.04044	12.4
216.04056	2.0
221.05016	2.1
227.04027	19.7
233.05067	7.3
245.05096	23.6
251.06229	5.0
251.08720	11.4
251.58855	1.9
257.04935	3.4
263.06116	12.5
273.08228	3.0
281.07211	36.0
281.10037	2.7
283.08728	2.9
293.07303	2.7
304.09213	2.3
321.10257	4.2
323.08243	100.0
324.08374	2.8
335.08218	11.8
337.09995	4.0
347.08289	4.1
353.09314	18.7
383.10376	3.4
422.82764	1.9
423.65256	1.7
452.83630	1.9
503.05878	8.8
503.16116	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	502.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.4
57.70367	0.8
59.04992	1.7
60.04540	1.0
61.02938	1.1
69.03078	1.5
69.03436	27.3
69.07060	1.0
69.86691	2.7
69.87097	1.3
73.02918	2.5
76.12128	0.8
79.05483	1.1
81.03434	1.9
81.07068	1.6
83.04967	1.3
85.02425	1.6
85.02914	24.5
86.73808	0.8
87.04479	17.3
91.05502	2.0
93.07061	1.6
95.05007	1.5
95.08588	1.4
97.02903	26.3
99.04467	1.1
102.99416	0.7
105.07051	2.4
107.08653	1.7
109.02924	0.9
115.03944	37.3
119.05087	0.7
119.08594	1.7
127.03911	4.1
131.08583	33.0
133.04979	34.7
135.10056	0.7
143.08521	1.0
145.04988	6.4
145.10153	2.9
150.07643	4.7
159.11720	1.5
163.03998	0.9
163.06052	2.5
167.23163	0.9
169.04933	1.0
171.11693	4.2
173.13280	100.0
174.13683	0.8
185.13246	1.6
189.12805	1.4
215.14226	0.9
230.10333	0.8
241.07158	1.1
259.08273	2.0
269.15433	1.6
277.09219	1.7
295.10239	1.7
298.70999	0.8
300.28110	0.9
305.17572	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
54.17484	1.4
55.01864	3.3
55.05519	9.1
67.05505	17.1
69.07066	12.8
70.32626	2.9
71.05000	10.0
79.05090	1.7
79.05492	9.9
81.07067	32.8
83.04970	3.1
83.08621	5.4
85.06551	10.3
91.05492	25.9
93.07048	78.9
95.04953	4.7
95.08615	34.2
97.06535	4.9
97.10165	2.6
101.06027	6.6
105.04542	2.0
105.07037	52.2
107.07876	2.4
107.08598	35.4
109.06496	3.1
109.10161	81.3
111.08099	18.6
113.09651	4.7
117.07019	8.0
119.08586	54.5
121.10150	38.9
123.11717	5.7
125.09645	12.5
127.11198	46.9
127.12139	3.1
128.06201	1.7
129.07069	2.5
130.07843	1.9
131.08571	17.8
131.83043	1.6
133.10133	23.0
133.34271	1.6
135.08136	2.0
135.11688	6.7
137.13295	1.9
139.11172	5.0
142.07666	1.5
143.08563	3.9
143.10634	2.9
144.09337	2.6
145.10130	43.7
147.11673	11.9
149.13275	4.1
157.10118	4.5
158.10919	1.7
158.48778	2.0
159.11703	60.1
161.13264	100.0
161.82169	1.8
162.13498	1.7
163.11215	5.0
165.09183	1.7
173.13310	12.8
175.14868	9.9
177.12753	2.9
177.16440	11.4
179.14317	6.7
185.13303	5.6
191.14331	2.2
191.18010	4.4
195.11716	2.1
201.16393	63.2
219.17455	92.1
231.13910	3.3
237.18512	26.7
279.49130	1.9
280.14648	1.7
428.05484	1.7
487.32214	1.9
502.34442	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	501.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16719	2.0
53.03936	6.0
54.91529	2.5
55.01870	4.5
55.05510	35.9
57.03433	23.5
57.07074	12.9
59.04103	2.3
59.05005	2.8
61.02928	63.3
67.05505	42.2
69.03438	36.6
69.07069	45.1
69.49364	18.9
70.45107	2.4
71.01363	2.8
71.04987	5.8
71.08627	8.3
73.02919	22.1
78.20568	2.4
79.05499	19.5
81.03419	19.8
81.07054	45.3
83.08622	28.8
85.02907	63.7
85.10133	2.8
86.97437	2.3
87.04456	2.6
91.03957	38.6
91.05468	11.2
92.14021	2.3
93.07047	27.9
95.08607	46.1
97.02892	56.5
97.06559	4.0
97.10184	14.9
98.21433	5.1
99.04462	8.4
101.02380	12.9
103.03937	8.5
105.07060	12.4
107.08605	20.9
109.02902	13.0
109.06528	2.8
109.10141	22.8
111.11728	8.6
115.03954	2.9
117.05473	3.2
119.08571	6.7
121.10165	28.4
123.11731	9.1
125.09671	3.2
127.03926	22.3
129.05501	4.0
129.07033	3.1
131.08583	7.2
133.10139	7.7
135.11685	21.8
137.13286	3.6
137.57475	2.2
143.62527	2.9
145.04994	11.5
145.10091	6.6
147.11708	4.3
149.09669	3.0
149.13251	7.8
151.14856	3.1
155.08647	2.6
159.06595	3.3
159.11711	5.2
163.14873	5.1
165.16483	3.1
171.11777	3.6
173.13416	3.3
183.06595	5.3
183.11778	3.7
201.07547	5.0
202.13393	2.6
247.24232	13.1
265.25299	34.3
293.30563	2.4
298.28348	2.6
339.28940	100.0
381.30313	2.8
441.06689	2.2
483.33191	5.5
501.26236	5.2
501.34366	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	502.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.58181	0.7
65.27779	0.6
67.05511	1.1
68.05025	2.1
69.03439	1.5
69.07063	0.8
70.06604	6.5
77.05811	0.6
79.05494	2.7
81.03439	0.7
81.05812	1.9
82.06584	1.8
83.04985	1.4
84.08149	1.7
85.02908	4.1
86.06107	1.0
86.09723	1.4
88.04032	0.8
91.05505	5.6
93.07055	6.1
94.06580	7.8
95.04977	1.8
96.08137	36.5
97.02897	1.6
99.04459	1.1
103.05496	3.5
103.75646	0.7
109.02884	1.4
111.04454	2.1
112.07622	11.0
114.09175	100.0
115.79790	0.6
119.05009	1.2
120.05679	1.3
121.06530	6.6
123.04460	1.5
125.05984	0.8
130.08687	1.2
133.02913	0.9
137.05984	0.9
142.08640	19.9
142.09753	1.2
147.04417	1.4
148.05211	0.8
149.01451	0.6
149.06013	2.1
151.03894	1.4
158.08163	4.7
160.09703	34.7
166.06302	5.3
181.08615	23.0
207.07730	1.3
208.19426	0.7
250.37250	0.9
262.13095	0.8
268.11810	5.2
286.12933	7.7
304.13934	17.0
333.34763	0.7
341.13556	0.9
484.21790	7.3
502.22864	87.6
503.23120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01860	7.9
55.05515	35.2
57.03439	26.9
57.07068	9.6
58.45811	2.4
61.02654	3.4
61.02932	58.3
63.80671	2.6
65.03932	3.1
67.05507	88.6
69.03430	40.0
69.07068	35.3
69.68916	2.8
71.01348	5.3
71.04967	5.0
71.08607	3.5
73.02917	28.6
74.98665	2.6
77.05386	2.4
79.05499	37.7
81.03420	26.0
81.07059	100.0
83.04982	9.6
83.08638	16.6
85.02430	3.7
85.02908	57.7
85.06531	6.3
91.03960	36.1
91.04980	2.9
91.05482	29.9
93.07050	41.4
95.04965	6.9
95.08610	71.2
97.02890	50.5
97.06528	8.8
97.10145	12.6
99.04482	14.1
99.08060	4.0
101.02395	14.2
103.03947	9.8
104.63277	2.7
105.07037	25.9
107.08597	24.3
109.02866	7.6
109.06499	5.0
109.10161	34.3
111.04401	3.1
111.08102	3.8
115.03939	5.6
117.07025	7.8
119.08601	19.5
119.20828	2.8
120.24808	2.4
120.38243	2.5
121.06487	3.4
121.10120	20.4
123.08043	2.8
123.11723	14.8
125.09652	3.7
127.03919	23.8
129.05495	5.2
129.06993	3.6
131.08543	9.6
133.10126	22.4
135.11678	16.8
137.09601	4.5
137.13225	7.1
139.11099	2.9
141.06877	2.3
143.08502	5.0
145.04956	8.1
145.10147	11.9
147.11722	13.8
149.13243	9.3
151.11195	3.0
151.14835	4.1
154.07817	2.6
157.10115	5.6
159.11681	8.7
161.09700	3.3
161.13248	8.0
163.14830	5.8
171.11678	4.6
175.11201	3.0
175.14825	9.3
177.16353	5.2
183.11641	4.0
185.13168	3.6
187.14867	4.3
189.16479	6.0
201.07538	5.1
201.16365	4.9
203.18036	3.2
245.22629	11.2
263.23694	23.0
266.89288	2.8
337.27359	88.1
365.26740	4.0
371.25751	5.7
445.28760	3.2
454.27914	2.7
459.50650	3.0
463.30109	3.9
481.31235	5.5
499.32632	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	500.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.05508	5.4
67.05506	17.1
69.07064	13.1
70.61427	6.1
70.61787	7.9
71.04979	9.5
75.50155	2.9
79.05479	8.9
81.07065	29.7
83.04984	4.8
83.08605	4.4
84.60886	3.2
85.06520	6.8
91.05474	23.8
93.06478	5.3
93.07047	80.3
93.83126	2.7
95.04961	4.3
95.08600	39.0
97.06546	4.2
101.06020	5.0
105.06386	4.5
105.07040	57.7
107.08598	34.3
109.09461	5.7
109.10162	84.4
111.08096	25.4
113.09640	6.3
117.07002	7.5
119.08590	55.3
121.10147	36.5
123.11694	3.9
125.09644	15.3
127.11194	48.9
131.08577	14.6
133.10127	22.5
135.11662	8.8
141.66655	3.1
143.08588	3.5
145.10132	47.8
147.11678	13.9
157.10115	4.0
159.11703	60.4
161.13269	100.0
163.11168	8.2
173.13231	11.7
175.14835	13.3
177.12817	7.8
177.16371	14.9
179.14307	6.6
182.53481	3.6
191.17908	5.3
201.16402	72.7
219.17445	72.5
237.18512	20.9
245.19043	3.5
399.51831	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	500.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
53.70280	1.7
55.01855	3.8
55.05505	6.1
61.02926	2.2
64.68492	2.1
67.05515	16.8
69.07076	10.7
69.43713	7.2
69.44132	7.1
71.05000	12.4
71.08615	2.4
79.05483	8.7
80.19360	1.9
81.07067	33.9
83.04992	2.5
83.08616	4.2
85.06536	10.2
91.05497	24.1
93.06481	3.9
93.07057	67.5
95.04961	7.2
95.08617	32.3
97.06551	5.6
98.20756	3.7
98.21359	4.3
99.08059	2.7
101.06031	5.2
105.07036	49.4
107.08604	36.6
109.06509	2.3
109.10167	87.1
111.08098	25.9
113.09638	6.1
117.07006	4.2
119.08589	53.8
121.10159	37.0
123.11729	5.0
125.09626	14.1
127.10289	3.2
127.11201	49.0
131.08560	13.6
133.10156	22.9
135.11694	8.3
139.11171	2.5
143.08597	1.7
144.09357	2.8
145.09044	3.6
145.10135	55.5
147.11682	10.6
148.62044	2.0
149.13223	3.7
159.11710	56.5
161.13272	100.0
163.11176	4.2
173.13292	12.6
175.14813	10.6
177.12743	6.2
177.16411	10.8
179.14313	7.8
191.17970	4.1
191.74239	1.9
201.16403	70.9
219.17456	86.3
220.17844	3.6
229.12178	2.3
237.18506	25.7
511.36719	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13768	5.1
55.05512	9.1
67.05511	18.6
69.07080	7.8
69.60307	8.2
69.60713	28.5
79.05504	24.1
81.07059	28.2
83.04991	5.0
91.05482	28.2
93.07040	33.7
95.04992	6.9
95.08614	21.7
97.06513	5.4
105.07037	49.8
107.04921	6.2
107.08598	22.8
109.06517	4.9
109.10152	7.7
115.05423	5.7
117.07034	12.2
119.08591	35.7
121.06474	9.2
121.10148	12.6
123.08085	6.7
128.06255	11.1
128.36311	4.7
129.07004	17.4
131.08563	43.7
133.10147	20.6
135.08055	12.6
135.11661	6.5
141.07001	12.4
142.07785	12.6
143.08548	34.6
145.06470	6.5
145.10136	39.5
147.08066	9.3
147.11678	18.0
155.08607	31.6
156.09357	10.1
157.10138	42.6
158.10756	4.5
159.08054	17.5
159.11691	45.6
161.09691	7.9
161.13254	6.9
168.09369	7.2
169.10130	24.4
171.11702	16.2
173.09674	5.7
173.13261	21.4
175.07803	5.9
175.11247	5.4
182.10942	12.4
183.11705	8.5
185.13278	16.6
187.11205	7.9
187.14812	16.9
195.11717	6.8
197.13257	66.6
201.16296	6.0
202.79128	4.8
208.60721	4.4
213.12892	8.4
215.14328	100.0
217.15854	6.7
231.13857	16.1
233.15343	33.0
251.16493	8.3
310.67374	4.6
503.64481	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2905
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
55.05513	28.6
66.78742	8.6
67.05503	54.4
69.03432	54.4
69.07063	44.0
71.04992	34.3
71.56519	16.5
79.05495	30.3
81.03422	18.9
81.07067	91.6
83.04979	18.4
85.02924	18.4
85.06546	19.8
91.05492	59.2
93.07024	65.1
95.04984	43.4
95.08618	70.1
97.06532	23.5
97.10175	27.7
105.07047	88.4
107.04960	13.8
107.08601	59.6
109.06505	23.4
109.10209	47.9
111.08097	16.4
117.07011	32.5
119.08596	100.0
121.06496	27.6
121.10123	45.9
123.08082	13.1
123.11705	21.8
125.09660	13.4
127.11182	43.5
129.07005	19.3
131.08580	60.2
133.10112	56.5
135.08058	24.2
135.11708	26.8
137.05978	11.6
137.09624	13.2
139.03928	13.0
139.11247	14.4
141.06964	12.5
142.07803	14.5
143.08566	34.7
145.06471	16.4
145.10165	71.5
147.08054	17.4
147.11681	24.4
149.09610	13.6
149.13216	15.0
151.07541	12.2
151.11200	15.0
155.08583	22.0
155.10722	16.6
157.10144	50.9
159.08029	15.8
159.11687	53.7
161.09583	17.1
161.13266	21.3
163.11198	17.6
163.14738	10.4
167.08560	11.4
169.10133	19.5
171.11739	23.3
173.09590	16.7
173.13277	21.2
175.11203	21.3
183.11732	19.6
185.13168	16.9
187.07500	13.1
187.11139	13.6
187.14757	13.4
197.13249	41.8
201.12779	12.6
203.14323	11.9
209.13498	11.0
215.14339	65.2
225.16463	12.0
229.12297	10.3
269.15030	12.3
270.80396	13.0
283.20654	11.2
301.21716	67.1
368.62131	11.6
435.28815	11.7
463.28018	13.4
481.29691	67.7
499.13162	9.4
499.30920	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.1
55.01860	7.4
55.05517	27.3
57.03445	28.3
57.07081	4.5
59.05005	38.7
61.02642	4.1
61.02929	52.0
65.03934	6.7
67.05510	87.1
67.05869	5.1
69.03083	3.5
69.03432	52.3
69.07061	20.5
69.41736	16.6
69.42162	6.3
71.01311	3.8
71.04981	13.0
73.02925	31.8
75.04485	3.2
79.05069	4.0
79.05499	66.9
81.03423	27.8
81.07062	100.0
83.04977	9.8
83.08607	10.2
85.02435	4.4
85.02913	65.8
85.06542	4.9
87.04486	4.1
91.03958	32.9
91.05486	55.6
93.07051	83.5
95.04975	19.7
95.08615	75.7
97.02905	46.6
97.06535	7.2
97.10175	9.7
99.04455	11.0
99.08122	2.8
101.02375	7.1
103.03946	10.5
103.05434	4.7
105.04527	2.8
105.07032	47.5
107.04929	4.4
107.08598	49.1
109.02876	13.2
109.06497	11.7
109.10165	31.6
111.04416	6.2
111.08079	6.7
115.03975	4.3
115.05406	5.3
117.05447	3.3
117.07039	23.7
119.08585	47.2
121.06509	7.1
121.10146	40.2
123.08055	6.5
123.11689	9.8
125.09637	15.8
127.03960	14.7
128.06160	4.8
129.05476	3.8
129.07011	15.1
130.07867	3.3
131.08601	33.9
133.06496	5.0
133.10152	32.2
135.08058	12.3
135.11678	23.6
137.09583	8.9
137.13295	3.5
139.80821	3.0
141.06946	4.9
142.07797	7.1
143.08540	19.2
143.10670	10.3
144.05722	3.6
145.04947	7.4
145.06480	4.1
145.10120	26.7
147.08052	8.3
147.11717	17.9
149.09592	11.3
149.13249	12.7
155.08549	9.0
156.09294	4.3
157.10126	12.0
159.08064	6.6
159.11691	26.5
161.09578	4.8
161.13261	9.7
167.08566	4.4
169.10098	8.9
171.08107	7.0
171.11678	14.5
173.09583	8.7
173.11806	3.6
173.13266	12.7
175.11218	7.3
175.14821	6.8
176.11877	3.4
181.10150	8.2
183.11717	8.8
184.08818	3.8
185.09689	3.9
185.13248	6.8
187.11214	5.3
187.14827	7.9
189.12561	3.3
193.10132	4.5
195.11708	5.2
197.13298	5.3
199.11197	11.0
199.14841	5.1
201.16377	3.9
209.09677	4.9
209.13310	3.6
210.12073	3.3
211.11168	5.2
215.14273	4.1
217.15965	3.6
225.12885	3.3
227.10672	6.2
229.16060	3.5
233.15337	5.4
239.18040	3.4
243.21051	4.3
245.11751	14.6
259.16769	3.8
261.22214	10.9
297.14371	3.4
301.21954	4.1
315.23322	4.0
335.25830	54.0
345.24237	6.3
366.67581	3.0
369.24139	8.9
387.25345	3.4
403.22281	3.6
443.27759	6.1
461.27240	5.7
479.28662	8.8
497.29681	32.5
520.96063	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	497.2897
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
50.45216	3.3
50.72201	3.8
53.03930	5.4
54.46057	3.9
55.01866	4.4
55.05504	12.3
57.07072	4.6
65.03953	6.6
67.05504	30.0
69.03427	9.6
69.07056	15.7
70.06593	4.7
71.04995	7.1
71.55310	5.4
79.05505	27.9
79.08467	3.7
81.03431	7.9
81.07063	34.5
83.04984	9.8
85.06528	4.8
91.05482	38.5
91.14594	3.7
93.07057	48.2
95.04964	26.2
95.08617	31.6
97.02929	5.2
97.06537	10.1
99.04488	4.7
105.07036	63.9
107.04974	12.5
107.08604	31.8
109.02984	4.2
109.06517	13.9
109.10168	20.3
111.04424	4.0
111.08039	4.0
115.05456	10.6
117.07036	25.5
119.08588	47.8
121.06491	18.9
121.10136	27.6
123.04440	6.7
123.08062	8.7
123.11722	6.6
125.09644	8.0
127.03928	4.9
128.06198	10.2
129.06987	26.6
131.08589	39.7
133.06526	5.1
133.10130	25.8
135.08070	14.3
135.11659	5.4
137.06017	8.5
139.03915	4.9
141.06990	11.0
142.07759	18.9
143.08572	38.1
144.09337	5.8
145.06490	4.9
145.10138	41.4
147.04388	4.3
147.08070	8.4
147.11702	20.0
149.05957	6.0
149.09637	9.7
149.13266	7.1
151.03912	4.8
151.07559	7.8
154.07733	5.3
155.07397	4.2
155.08519	21.4
156.09323	10.2
157.10159	48.6
159.08043	17.1
159.11700	51.3
161.09633	18.0
161.13301	10.7
163.11111	7.1
165.05507	9.6
165.06941	6.3
167.07195	4.7
167.08601	11.1
167.46080	4.2
168.09384	4.6
169.10136	27.6
170.10890	5.7
171.08058	11.2
171.11650	21.1
173.09631	16.6
173.13295	11.4
175.11203	20.1
177.12740	7.3
179.08614	8.5
179.10689	4.0
181.10127	16.5
182.10913	11.9
183.08163	5.7
183.11685	15.3
185.09616	10.7
185.13264	14.7
187.11200	8.3
187.14819	12.9
191.10667	5.0
191.14374	4.0
193.10152	8.4
195.11694	16.5
197.09630	5.0
197.13293	26.4
199.07559	4.5
199.11113	14.7
199.14827	6.8
201.09230	6.5
203.10796	7.0
203.14354	4.6
207.11726	5.8
209.09677	5.6
209.13228	7.6
211.11211	9.4
211.14781	8.8
213.09160	5.3
213.12703	10.6
213.16429	7.0
215.10841	7.7
215.14302	22.5
217.15767	5.5
219.11888	5.7
221.13364	8.3
223.11281	5.7
225.12703	5.2
227.10742	9.6
229.12318	5.1
229.15897	8.4
231.13829	7.0
233.15376	7.2
239.14360	8.9
243.10162	7.5
257.15445	5.1
269.15207	4.5
278.08081	5.2
285.14853	5.0
297.73349	4.0
397.25229	5.0
415.26373	12.5
433.27094	11.0
439.14551	4.9
443.25958	13.2
451.28683	6.0
461.26996	55.5
479.21683	5.0
479.28036	100.0
497.12796	5.9
497.29178	97.6
497.36807	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	497.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27145	1.5
53.03939	5.1
55.01869	4.7
55.05516	11.9
57.03432	2.1
57.07073	4.4
59.05006	100.0
60.02139	1.8
65.03951	3.3
67.05513	16.7
69.03432	7.8
69.07053	5.0
69.42619	1.4
70.70046	4.1
70.70380	2.5
71.04999	16.8
73.06565	2.7
75.30803	1.8
77.03944	1.7
79.05495	25.0
80.06282	5.2
80.73105	1.6
81.03416	4.7
81.07064	36.5
83.04983	8.2
83.08607	4.7
85.02879	3.0
85.06091	1.8
85.06548	10.9
91.05489	38.5
93.07052	42.8
94.07815	2.8
95.04976	11.3
95.08608	16.2
97.02891	1.7
97.06514	5.3
97.10170	7.5
99.04454	6.0
99.08101	4.6
101.06000	1.8
103.05446	2.2
105.07041	40.6
107.04958	2.9
107.08606	42.5
109.02845	3.1
109.06517	7.6
109.10160	7.7
111.08064	4.0
115.05470	5.5
116.06188	2.2
117.07032	15.7
118.07804	3.8
119.04958	3.8
119.08590	34.4
121.06499	8.7
121.10149	19.7
123.08045	5.4
125.09641	37.7
127.07574	2.3
128.06239	6.9
129.06999	14.6
130.07808	4.2
131.04979	2.2
131.08569	23.9
132.09370	2.2
133.06465	3.2
133.10155	21.8
135.08076	13.8
135.11734	2.2
137.06009	2.3
137.09615	5.6
139.11201	3.4
141.06990	6.1
142.07773	10.6
143.08585	25.3
143.10672	29.1
144.09406	5.1
145.06493	7.6
145.10132	19.5
147.08028	8.3
147.11659	6.3
149.09613	3.1
149.13263	4.0
151.07547	2.8
151.11296	2.1
153.06953	2.6
154.07768	2.3
155.08548	14.2
156.09367	7.5
157.06502	5.3
157.10143	21.2
158.07297	3.7
159.08099	8.4
159.11732	16.9
160.08864	3.8
161.09633	6.2
161.13228	2.4
163.07542	3.0
165.07021	6.6
165.09047	2.1
166.07791	4.6
166.57643	1.9
167.08563	5.7
168.09439	2.1
169.10173	10.3
171.08060	8.9
171.11693	13.8
173.09650	13.8
173.13222	3.8
175.07545	2.7
175.11227	5.5
176.11972	4.6
178.07837	3.0
179.08571	4.7
181.10114	14.9
183.08037	4.3
183.11696	11.7
184.08855	6.7
185.09586	8.2
185.13303	3.8
187.11168	2.7
189.12791	3.8
192.09418	2.7
193.10159	5.5
194.11000	2.2
195.11729	7.9
197.09662	5.0
197.13293	4.7
199.11224	23.0
201.09103	4.0
201.12791	5.3
203.10631	2.7
204.09407	2.5
205.10213	3.5
206.10822	2.6
207.08134	1.7
207.11725	9.2
209.09657	9.5
209.13274	5.5
210.10460	4.4
211.11205	5.9
213.12697	3.3
213.16464	2.2
215.14423	2.7
217.10243	3.8
217.12234	3.9
218.11055	2.0
219.11761	4.8
221.13373	5.0
223.11322	2.2
223.14903	3.5
225.09167	2.3
227.10652	12.3
229.12209	2.3
230.11026	2.3
231.11807	2.7
233.09680	2.0
233.13248	5.5
235.11150	3.5
235.14832	3.5
237.12616	2.5
237.16254	2.8
239.10774	2.3
239.14435	2.3
241.12190	2.3
245.11685	43.4
245.13972	2.4
247.14937	4.1
249.12920	3.1
249.16512	2.5
259.14835	2.0
263.14258	3.1
265.15799	4.9
269.11722	4.5
277.15768	3.4
283.13303	3.1
283.16800	1.9
287.14343	2.2
289.19510	1.9
293.15497	2.8
295.13489	2.1
295.17004	2.4
307.16751	2.0
309.14853	4.8
309.18372	1.7
309.22412	1.7
311.16278	2.7
319.17023	2.2
321.15024	2.1
321.18491	3.3
323.16223	2.8
361.17850	2.8
362.18692	5.0
363.19644	2.5
368.95346	2.1
377.21204	3.3
381.20633	5.6
391.22626	5.2
392.23334	2.0
393.20468	4.1
403.22794	2.6
420.23041	3.5
425.25674	2.0
445.26956	2.0
479.28366	8.8
497.29019	55.6
498.29102	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	497.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.4
53.03959	7.8
55.01875	7.0
55.05518	21.8
57.03439	9.3
59.05008	100.0
61.02942	19.3
65.03939	5.2
67.05514	46.7
69.03439	28.2
69.07072	13.2
70.05242	10.9
70.05644	5.9
71.05009	19.5
73.02933	9.4
73.06563	4.5
77.38831	3.4
79.05502	50.5
80.06222	4.0
81.03430	12.5
81.07069	72.0
83.04994	10.8
83.08631	8.7
85.02930	21.0
85.06572	9.2
91.03977	7.2
91.05486	49.6
93.07050	62.9
95.04969	17.3
95.08618	50.2
97.02893	18.0
97.06538	9.6
97.10175	10.9
98.21410	4.5
99.04458	4.4
99.08098	3.8
103.03931	5.0
105.07046	54.2
107.05016	3.9
107.08595	49.7
109.02860	4.1
109.06549	9.3
109.10162	22.2
111.04486	3.8
115.05473	4.8
117.07014	27.2
118.07811	5.3
119.08585	47.1
119.09378	5.1
121.06536	9.6
121.10149	28.7
123.08086	6.5
123.11691	6.1
125.09650	33.2
127.03951	6.3
128.06238	9.3
129.06998	17.5
130.07787	4.2
131.08577	33.8
133.10133	27.4
135.08075	12.0
135.11708	11.4
137.09642	8.9
141.07008	10.5
142.07767	11.0
143.08578	27.2
143.10687	27.1
145.06493	6.3
145.10146	23.9
147.07996	6.8
147.11713	18.5
149.09659	7.5
149.13307	6.6
151.07587	4.5
153.07062	6.0
155.08595	15.6
156.09364	9.2
157.06532	5.0
157.10144	30.0
158.07343	3.9
159.08075	5.6
159.11676	38.0
161.09636	10.5
161.13284	9.2
165.07045	7.7
166.07771	4.5
168.09387	5.8
169.10165	10.3
171.08052	13.0
171.11714	16.0
173.09645	15.4
173.13275	7.0
175.11232	7.3
175.14830	4.5
177.12880	5.3
179.08563	7.5
181.10179	16.1
182.10977	4.2
182.54257	4.9
183.08063	8.9
183.11742	10.8
184.08884	5.8
185.09642	7.7
185.13231	8.5
187.11127	4.7
187.14809	6.1
189.12857	5.1
193.10214	5.8
195.08018	4.7
195.11743	8.2
197.09666	7.0
197.13287	10.9
199.11217	26.9
201.12810	6.6
201.16418	5.7
203.08690	4.7
205.10089	4.1
207.11868	5.7
210.10483	5.3
211.11235	4.7
213.12737	4.5
217.10172	4.2
218.19389	3.6
219.11801	7.1
221.13545	4.8
223.11266	5.4
227.10701	8.3
228.18221	3.6
233.09755	4.1
237.16394	5.1
245.11638	35.3
247.14886	4.7
249.12857	4.5
251.14079	3.7
261.22342	5.0
277.15991	5.2
283.13501	5.7
301.21597	4.1
305.15295	4.0
305.45377	3.8
309.14703	4.1
311.16766	4.9
327.22849	4.0
334.19266	3.9
335.25836	19.7
337.18204	4.1
362.18716	6.3
391.22537	4.2
392.23535	4.1
461.27252	15.9
479.28140	12.7
497.29028	52.8
503.12488	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39646	3.1
53.03941	3.3
55.05516	5.9
55.38882	2.7
57.07076	4.5
65.03928	3.5
67.05499	11.7
69.07065	8.3
71.56432	4.2
72.82478	3.9
79.05495	15.2
81.07059	32.2
83.08638	3.0
87.04486	3.4
89.06039	90.2
91.05464	18.9
93.07059	23.7
95.04988	6.3
95.08624	26.8
103.64268	3.0
105.06388	5.6
105.07038	70.2
107.08624	23.1
109.06532	7.4
109.10159	9.0
117.07016	9.0
119.08575	35.7
121.06499	8.6
121.10157	8.9
123.08044	5.6
128.06215	12.3
129.07036	19.4
131.08601	21.3
133.08615	47.7
133.10118	17.9
135.08002	4.1
142.07771	20.2
143.08572	75.1
144.09364	4.7
145.10115	15.6
147.11691	11.4
155.08562	4.2
156.09340	4.5
157.10136	54.5
159.11745	28.0
161.09587	8.9
161.13280	9.2
171.11707	14.4
173.13235	7.2
175.14867	5.7
177.11263	21.2
177.18524	3.0
185.13286	9.7
187.14769	3.3
189.16481	17.7
195.12279	3.3
197.13312	3.3
199.14836	100.0
217.15907	46.3
239.14734	4.0
270.78745	3.5
283.17517	49.9
341.04877	3.2
393.79147	4.1
452.21689	2.8
496.34619	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	497.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01878	0.9
61.02912	0.8
65.03947	1.5
67.05505	3.1
69.03431	3.5
69.07072	41.8
69.25045	9.4
79.05498	2.0
81.03414	1.7
81.07042	3.8
85.02914	6.8
85.27198	0.9
85.71457	0.9
90.30040	0.8
91.05500	1.6
93.07049	1.1
94.06562	1.8
95.04971	3.3
95.08618	1.4
97.02889	2.5
97.06536	7.8
99.04418	1.0
107.04974	1.1
107.08591	1.3
119.04903	1.0
121.06474	1.2
121.58068	0.8
122.06054	5.1
123.04449	5.1
124.07607	1.7
125.05984	1.8
127.03856	1.2
133.10062	1.0
135.04446	1.2
137.05988	2.9
138.05502	4.3
139.03899	2.2
140.07118	5.4
140.08031	1.3
145.08893	1.3
146.09599	1.2
147.03217	0.7
147.04407	3.4
147.22212	1.0
150.05518	50.7
151.07541	1.2
153.05440	1.6
155.07150	1.1
157.08859	1.2
160.07562	1.0
161.05960	1.3
161.08357	2.4
162.09167	2.9
163.03886	2.8
164.07051	1.1
165.05511	1.0
166.05023	13.7
167.07071	2.9
168.06514	0.9
172.11247	2.3
173.08342	1.4
174.12804	3.4
176.03450	3.7
178.04988	1.5
181.04945	2.7
188.10652	1.2
190.12267	4.1
191.03416	10.9
194.04459	1.2
200.10732	4.1
202.12300	4.6
203.03404	1.4
207.06451	1.4
216.10220	3.1
218.11790	17.8
228.10210	10.2
234.11287	2.6
244.09819	1.7
246.11247	15.9
255.11366	1.5
256.09579	1.2
257.09232	1.2
271.10815	3.0
272.09125	3.1
273.12360	2.1
274.10516	1.2
287.10278	5.4
289.11871	7.8
290.10321	2.1
299.10306	3.8
317.11349	32.5
318.09628	1.3
329.99435	1.3
335.12387	100.0
340.54480	0.9
343.08047	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	496.34
Annotation	1-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.29766	0.7
52.16080	0.6
52.43173	0.7
52.83965	0.5
56.05030	1.8
57.03419	0.7
57.07081	3.4
58.06599	1.9
60.08167	17.6
67.05489	1.1
69.07032	0.6
70.35822	0.5
70.72017	1.0
70.72346	0.8
71.07378	6.7
71.08645	1.3
81.07067	0.6
85.10196	1.0
86.09711	50.4
98.98491	4.4
104.10749	100.0
105.11134	0.8
125.00010	32.6
163.01471	0.6
184.07350	89.9
200.05928	0.5
210.90001	0.5
275.53067	0.5
313.27432	1.6
313.58664	0.6
478.32916	8.9
482.51154	0.6
496.34003	26.9
497.34476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37367	0.2
55.05515	0.3
56.05039	0.5
57.03432	0.3
57.07076	0.8
58.06385	0.2
58.06633	0.4
59.07392	0.2
60.08167	6.6
67.05522	0.5
69.07081	0.5
69.48254	1.5
71.07383	2.9
71.08643	0.5
77.85629	0.2
79.05504	0.4
81.07074	1.3
83.08624	0.2
86.09713	28.5
91.05482	0.6
93.07069	0.6
95.08609	0.8
98.98479	2.8
104.10756	3.2
105.07037	0.9
107.08598	0.7
109.10167	0.4
117.07053	0.6
119.08601	0.9
121.06496	0.2
121.10172	0.2
125.00014	21.1
129.07018	0.3
131.08591	0.7
133.10155	0.3
135.08075	0.4
135.11655	0.2
142.07785	0.2
143.01094	0.2
143.08594	0.5
143.55623	0.2
145.10126	0.6
155.08626	0.4
156.09126	0.3
157.10115	0.7
159.11731	0.6
161.13290	0.4
169.10080	0.3
171.11749	0.4
180.09210	0.2
183.11768	0.4
184.07355	100.0
185.07658	0.3
185.09555	0.2
185.13269	0.3
201.12842	0.2
213.12741	0.4
231.13811	0.4
233.15393	0.3
258.10901	0.3
362.87393	0.2
394.26154	0.2
443.25366	0.4
460.24988	0.2
461.26859	0.5
478.32733	1.1
496.27481	0.2
496.33878	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	496.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.3
55.05513	14.0
56.71122	6.1
67.05495	28.6
67.52921	7.0
69.07059	12.1
69.48517	5.9
71.05010	7.2
71.56136	7.9
71.56519	6.9
77.65679	5.4
79.05509	35.9
81.03412	8.2
81.07063	64.7
86.09689	12.4
89.06037	9.0
89.68685	5.7
91.05491	62.6
93.07057	54.2
95.04990	12.1
95.08604	56.2
97.06513	13.1
104.10722	22.0
105.07038	100.0
107.08609	43.6
107.45293	8.2
109.06526	13.2
109.10120	11.2
115.05436	8.9
116.06199	6.2
117.07011	28.7
119.08588	80.2
121.06497	16.3
121.10165	16.8
122.75275	5.8
123.11718	9.4
128.06195	11.2
129.07014	23.6
130.07822	7.1
131.08569	71.8
133.10115	23.0
135.08057	12.7
135.11676	6.6
141.07001	16.1
142.07784	38.8
143.08575	42.3
145.06514	10.0
145.10141	78.1
147.08032	12.8
147.11699	24.5
149.09554	7.7
149.13210	6.7
153.07054	8.0
154.07767	8.5
155.08588	56.7
156.09296	13.7
157.10118	81.3
159.08060	24.5
159.11705	65.8
161.09583	9.5
161.13251	14.6
167.08537	22.2
168.09315	12.7
169.04987	7.0
169.10146	31.6
171.08081	6.6
171.11728	34.9
173.09628	25.6
173.13275	20.2
175.11208	14.8
181.10138	11.8
182.10881	32.1
183.11671	23.1
184.07353	23.6
185.09605	7.9
185.13229	35.0
187.11229	9.0
187.14806	54.9
193.40431	6.5
195.11720	13.3
197.13242	66.3
203.14349	13.0
213.12859	14.2
215.14339	83.2
229.12163	19.9
231.13817	26.9
233.15402	70.3
260.49377	9.4
344.07608	7.2
460.25510	7.1
496.34363	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	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.8
57.03445	9.3
67.05518	3.1
69.03455	2.4
69.07071	7.2
71.04999	37.4
79.05503	3.0
81.03416	2.0
81.07043	3.0
83.04995	7.7
83.08607	1.8
85.02910	49.4
85.03419	2.8
87.04482	1.7
91.05470	2.2
93.07051	16.0
95.04994	1.8
95.08604	8.3
97.02878	2.6
97.06541	26.9
98.21507	4.2
99.04457	2.6
105.15475	1.5
107.08598	22.4
109.10170	11.2
111.04459	4.7
111.11700	1.8
121.06525	2.1
127.03936	3.5
129.05486	16.6
135.11702	33.0
135.95183	1.5
137.05992	5.3
147.06567	9.0
153.12759	100.0
154.13097	1.7
167.07053	1.6
171.13809	62.2
171.15276	3.2
181.92136	1.4
192.10219	5.6
255.08691	2.6
273.09964	2.3
309.11859	2.9
358.16507	6.5
496.23520	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	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52313	7.0
52.99155	6.3
53.03934	7.8
55.05532	8.9
55.20522	6.9
57.03417	9.9
66.47179	6.6
67.05494	17.7
69.03416	8.2
69.07069	19.1
70.06599	13.8
71.05001	43.6
71.55324	7.1
74.87565	7.5
79.00335	6.4
79.05478	7.4
81.07043	12.1
83.05022	7.3
85.02913	63.6
85.06526	17.8
91.05499	12.6
93.07069	18.8
95.04979	10.1
95.08606	29.7
97.06508	9.9
101.06036	9.2
105.07015	8.3
107.08598	23.3
109.06502	15.8
109.10162	81.7
111.78597	6.8
113.06001	11.7
121.10126	15.6
123.04451	8.7
123.11698	16.8
127.03851	9.6
127.11174	7.7
129.05473	22.5
130.06552	7.4
133.10068	7.3
135.08029	12.1
135.11714	37.9
137.05962	12.0
137.09627	18.2
139.11261	7.9
147.06468	8.9
149.05972	7.2
153.12750	70.6
157.07643	7.3
163.26205	6.9
167.07056	7.5
167.10721	15.8
178.08632	9.7
203.14365	26.8
245.15169	8.4
263.16437	28.8
281.17511	100.0
282.34818	6.6
290.56207	6.3
299.18579	25.1
409.49271	6.9
448.49512	6.9
494.47748	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15552	3.6
55.05512	5.3
57.03436	13.3
59.81479	4.3
60.76621	4.4
64.74015	3.9
67.05536	4.3
69.03432	9.1
69.23506	24.6
69.23936	18.5
70.06576	8.3
71.05003	72.6
72.08153	4.3
75.04473	4.9
79.05497	8.2
81.03398	7.8
81.07057	10.5
81.47204	4.7
82.72336	3.7
83.04995	13.7
83.94179	3.7
85.02912	100.0
86.09702	5.8
86.44631	4.2
90.86195	3.9
91.05488	13.5
91.99593	3.9
93.07050	49.7
95.04981	10.4
95.08617	13.0
97.02922	4.3
97.06557	6.0
105.07041	12.0
107.08602	49.3
109.06498	6.5
109.10163	11.0
111.04427	5.1
118.43806	4.0
119.08560	6.3
121.06508	16.3
121.10193	5.3
127.03952	9.9
129.05496	39.8
135.08058	8.0
135.11711	46.0
137.05997	23.3
147.06573	18.4
151.03984	5.1
153.12752	7.6
167.07042	7.8
192.10249	11.8
218.22150	4.2
220.66972	4.1
245.15631	4.6
267.10089	5.3
281.17511	6.3
358.16513	19.0
454.71527	5.0
496.23398	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	495.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.1
55.05521	26.5
57.03430	13.2
61.02919	16.9
67.05512	52.7
68.53421	4.5
69.03422	19.5
69.07062	27.5
71.05000	10.9
71.57440	6.3
73.02898	6.2
79.05504	56.4
81.03431	15.1
81.07063	79.1
83.04989	28.9
83.08611	11.7
85.02898	24.7
85.06564	5.2
91.03996	9.3
91.05488	86.5
93.07047	68.5
94.04031	4.3
95.04968	17.0
95.08610	41.9
95.70640	4.7
97.02882	11.0
97.06532	9.0
101.79683	4.6
105.07033	85.8
105.07686	7.7
107.04938	7.7
107.08607	50.2
109.06534	17.0
109.10168	15.6
111.08099	5.4
115.05441	11.0
117.07034	60.2
119.08594	68.4
121.06516	21.6
121.10145	29.0
123.08051	14.0
128.06239	20.3
129.07018	31.5
130.07774	5.6
131.04956	5.5
131.08580	56.2
133.06491	15.1
133.10138	38.9
135.08089	26.2
135.11703	16.2
137.09601	9.3
141.06995	12.5
142.07800	13.1
143.08577	52.6
144.09312	14.0
145.06548	11.6
145.10138	56.1
147.08081	20.5
147.11688	22.1
149.09645	11.1
149.13264	20.5
151.07492	6.0
153.06978	11.0
154.07758	11.5
155.08546	31.2
156.09323	11.9
157.06529	8.8
157.10136	49.5
158.07292	9.0
159.08089	33.8
159.11707	88.3
161.09634	16.2
161.13255	13.7
165.06953	11.6
165.09128	14.2
167.08540	27.6
168.09428	8.4
169.06526	5.9
169.10133	43.9
170.10661	4.6
171.08055	21.5
171.11769	31.7
173.09599	23.6
173.13278	26.3
175.11168	10.9
177.12740	53.8
179.08604	13.1
180.09232	4.8
181.10123	18.3
183.08144	22.6
183.11719	36.9
184.08870	8.7
185.09657	28.5
185.13254	22.2
187.11166	13.2
187.14812	11.0
189.12819	8.6
191.08514	5.0
191.14406	4.7
192.09302	6.2
193.10172	11.6
195.08084	16.7
195.11716	12.1
196.08836	8.7
197.09621	49.3
197.13274	27.6
198.10333	6.7
199.11189	18.9
199.14844	9.4
201.09087	13.6
201.12752	17.5
203.10666	6.6
209.09619	17.1
209.13240	15.0
210.10547	5.0
211.07532	4.7
211.11229	33.2
211.14813	16.8
213.09384	5.0
213.12727	5.0
215.14261	24.4
219.11743	4.8
221.09615	11.4
221.13272	12.8
222.10172	6.1
223.11206	21.3
224.11911	6.6
225.09186	11.1
225.12805	26.3
227.10693	16.9
227.14284	8.6
229.12320	9.8
229.15901	7.9
231.11763	7.0
233.09619	7.7
233.15485	6.5
234.10364	16.5
235.11153	6.1
239.10762	11.1
239.14281	27.7
241.12251	5.0
243.10233	36.8
245.11711	20.7
249.12755	30.5
251.14227	6.2
253.12166	7.1
255.13766	10.2
259.20422	5.6
267.13821	69.4
295.13269	5.4
301.14435	7.3
301.21732	7.1
309.21982	5.2
313.14349	83.1
313.21799	7.5
325.21408	6.0
333.24277	13.5
339.15710	13.5
361.23538	7.2
363.25381	6.2
367.22507	15.1
375.25366	10.3
385.23914	10.3
413.25055	6.1
417.26172	12.7
429.26144	6.3
431.26047	6.0
441.26129	24.9
459.25858	29.8
477.26581	100.0
495.29306	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2743
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
50.57027	1.5
51.33513	1.6
52.47698	1.6
53.03944	2.7
55.05500	4.8
67.05502	7.6
69.03418	3.1
69.07074	2.4
70.02328	3.0
70.02726	4.6
71.04990	3.4
72.19411	1.5
74.98933	1.7
79.05508	9.3
81.03415	2.2
81.07057	16.3
81.44665	1.8
83.04980	7.2
85.06577	2.7
86.85440	1.6
91.05478	16.4
93.07052	16.4
95.04964	4.7
95.08602	8.8
97.06541	3.3
99.08089	1.8
103.05459	1.7
105.07040	25.6
107.04970	12.0
107.08600	12.1
109.02909	2.3
109.06512	5.3
109.10162	7.4
115.05483	2.6
117.07029	10.6
119.04974	2.2
119.08575	22.8
121.06505	10.4
121.10139	15.1
123.08096	4.1
125.09630	2.8
128.06186	4.1
129.06979	9.0
130.07790	2.0
131.04947	1.8
131.08594	18.7
133.10139	7.4
135.08055	7.1
135.11743	2.4
141.07005	6.4
142.07816	4.8
143.08578	17.2
145.06499	5.4
145.10120	20.7
147.08049	5.2
147.11670	8.7
149.09579	2.7
149.13234	5.1
153.07022	4.7
154.07779	3.9
155.08546	19.3
156.09319	4.3
157.10130	13.9
158.07253	3.1
159.08089	11.5
159.11697	19.6
161.09624	4.0
161.13298	4.0
165.06947	2.3
166.07774	1.8
167.08571	6.3
168.09410	2.4
169.06398	2.1
169.10120	22.0
170.10857	1.8
171.06667	2.0
171.07976	9.2
171.11711	10.4
173.09645	9.9
173.13287	6.8
175.11198	4.2
177.12758	2.2
179.08569	3.4
181.10115	6.6
182.07303	3.7
182.10957	6.3
183.08090	6.2
183.11723	7.1
184.08870	3.2
185.09622	9.3
185.13300	6.4
187.11227	6.2
187.14719	8.6
193.10161	3.2
194.10988	2.0
195.08073	6.1
195.11700	3.3
196.08960	2.3
196.12506	2.2
197.09622	22.4
197.13280	19.9
199.11205	12.8
199.14816	2.7
201.12778	2.8
201.16492	2.6
203.10667	1.7
204.09377	1.7
209.09584	3.6
209.13298	5.4
210.10283	2.2
210.45279	2.0
211.11223	8.6
211.14803	11.5
213.09143	3.5
213.12720	2.3
215.14323	21.1
217.10152	2.0
221.13400	2.5
223.11208	6.0
225.09216	2.5
225.12846	4.1
227.10698	4.3
227.14352	5.3
229.15878	19.4
233.09624	1.9
233.15326	15.4
234.10466	4.1
237.12723	3.3
239.10768	2.2
239.14290	5.5
241.12180	1.6
243.10152	25.1
245.11702	16.5
247.16974	36.2
249.12778	8.4
251.10608	1.9
251.16409	3.0
251.87131	1.6
253.12288	1.8
267.13757	11.1
277.12354	2.7
277.15405	1.9
283.13425	2.9
287.12866	3.9
295.13345	2.6
301.14334	3.7
313.14337	13.3
339.16388	1.8
431.26270	2.8
441.24277	9.9
459.25357	22.5
477.26379	100.0
478.27094	3.1
495.20154	3.5
495.27448	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2745
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
53.03943	2.3
55.01860	2.6
55.05509	5.4
57.03429	2.3
67.05518	13.7
69.03426	4.5
69.07067	4.5
69.56905	1.8
70.92227	1.5
71.08894	1.7
71.09213	2.2
79.05487	16.6
81.03424	3.5
81.07059	20.4
83.04991	7.3
83.08610	1.9
85.02917	2.9
85.06592	2.5
91.05486	23.2
93.07055	22.4
94.08674	1.7
95.04966	6.6
95.08617	12.8
97.06525	4.1
101.39231	1.7
103.05486	2.3
103.49324	1.8
105.07030	33.2
107.04951	10.5
107.08601	19.3
109.06508	6.2
109.10157	4.1
111.08092	2.0
115.05459	4.0
117.07044	15.6
117.07793	2.9
119.08598	24.9
121.06496	9.2
121.10170	14.6
122.54124	1.7
123.08047	2.0
125.09645	4.3
128.06206	5.2
129.07016	11.3
131.08583	26.2
132.04213	2.0
133.06490	4.4
133.10147	15.4
135.08029	6.0
135.11703	3.4
137.09668	2.8
141.06992	9.6
142.07784	6.4
143.08603	17.7
144.09348	3.4
145.06482	6.7
145.10120	26.1
147.08087	7.4
147.11679	9.8
149.05930	1.9
149.09590	3.0
149.13284	3.9
153.06958	3.3
154.07819	5.1
155.08571	22.5
156.09358	6.0
157.06435	2.7
157.10143	22.7
158.07295	3.9
159.08075	14.2
159.11685	25.7
160.08884	1.8
161.09637	4.2
161.13272	6.7
163.11150	3.0
165.07030	3.8
166.07835	3.4
167.08569	10.4
168.09348	4.9
169.10135	22.0
170.07318	2.4
171.08069	11.9
171.11708	14.9
173.09628	10.2
173.13300	8.6
175.11232	4.1
175.14854	2.3
177.12726	2.9
178.07819	2.1
179.08572	5.6
181.10101	12.7
182.07280	5.8
182.10895	5.7
183.08070	7.0
183.11673	12.5
184.08826	4.4
185.09656	9.3
185.13289	9.4
187.07545	2.2
187.11206	4.5
187.14841	5.3
189.12903	2.2
191.10637	1.8
193.10135	6.3
195.08051	5.9
195.11668	5.2
196.08878	2.3
197.09634	25.5
197.13271	19.4
198.10370	2.0
199.11166	15.3
199.14909	3.7
201.09215	2.2
201.12759	8.7
201.16292	2.6
207.11714	4.8
209.09622	6.0
209.13264	4.6
211.11250	12.9
211.12828	2.2
211.14856	16.1
213.09137	3.7
213.12758	4.1
215.10806	2.2
215.14348	28.4
219.08133	2.4
221.09575	5.1
221.13319	2.6
223.11224	6.9
225.09126	4.2
225.12766	6.6
227.10736	6.2
227.14346	4.5
229.15878	19.7
233.15300	13.3
234.10446	2.8
235.11313	2.4
237.12843	3.6
239.10620	3.1
239.14317	6.4
243.10162	32.3
245.11752	20.7
247.16966	32.1
249.12769	6.5
251.16469	3.1
253.12413	2.2
257.11646	2.5
265.12460	1.9
267.13843	18.1
283.13400	2.5
301.14410	2.1
313.14413	15.4
413.24738	5.7
431.25742	5.7
435.86716	1.9
441.24188	12.4
441.33783	2.1
459.25360	26.1
477.26395	100.0
495.27356	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	494.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.6
55.53413	2.1
57.07078	4.1
64.09789	2.1
65.03947	2.6
67.05517	15.3
69.07068	8.5
69.55870	7.3
69.56299	9.0
76.39278	2.1
76.68033	2.2
79.05508	11.6
81.07064	45.7
83.08642	4.4
89.06111	2.9
91.05489	31.0
91.12049	2.0
93.07046	30.8
95.04951	4.7
95.08611	26.5
105.07043	68.8
105.07753	3.3
107.08598	37.0
109.06554	6.3
109.10172	10.3
111.08089	2.4
115.05433	2.8
117.07012	10.4
119.08593	35.9
121.06490	7.4
121.10136	11.3
123.08105	4.7
128.06226	15.5
129.07043	16.7
131.08589	22.2
133.06514	2.9
133.10141	22.4
135.11737	3.5
142.07803	20.1
143.08569	74.5
144.09239	3.2
145.10127	17.9
147.11685	10.6
155.08585	15.0
156.09323	6.2
157.10158	59.5
159.11703	27.8
161.09677	12.4
161.13258	8.4
163.14841	4.8
168.09303	2.7
169.10184	7.1
171.11700	18.6
173.13286	8.4
175.11169	5.2
175.14886	3.1
183.11740	3.2
187.14813	2.4
189.16402	17.5
198.70345	2.2
199.07538	4.0
199.14839	100.0
217.15903	52.2
225.16417	2.8
251.14317	4.8
269.15451	4.6
420.69330	2.5
494.32712	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	495.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01870	1.7
55.05523	3.6
57.03442	12.3
61.02925	1.9
67.05508	2.8
69.03434	2.7
69.07080	7.8
69.07404	1.2
71.04998	86.5
73.02917	2.4
74.26248	1.4
75.04482	4.8
77.93732	1.1
79.05505	6.1
81.03435	2.3
81.07063	26.1
83.04986	9.5
85.02911	100.0
91.05496	1.4
93.07043	4.4
95.04975	2.4
95.08598	3.0
97.02911	5.2
97.06554	2.3
99.04463	2.6
99.08086	3.4
105.07079	1.4
107.08625	3.9
109.02896	2.4
109.06560	1.9
109.10162	5.4
111.04466	4.5
111.08070	1.7
111.11754	3.0
121.10184	1.3
123.04424	1.5
123.08109	1.5
123.11709	16.2
127.03912	2.2
129.05493	36.6
135.11717	4.6
139.11183	9.7
141.50900	1.5
145.04977	2.1
147.04346	2.3
147.06540	11.8
151.11217	10.9
157.12234	7.7
167.07106	1.5
169.12256	51.7
187.07579	2.6
187.13303	36.5
192.45316	1.3
208.35838	1.5
268.11072	2.1
276.62347	3.7
277.12140	1.2
285.13760	3.0
291.96442	1.5
349.18771	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	494.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01853	3.7
55.05503	9.3
60.59515	2.7
64.13947	3.3
67.05498	14.8
69.03407	6.1
69.07072	7.6
69.52280	6.1
69.52676	21.6
79.05501	24.0
81.07054	30.3
83.04989	6.2
83.27914	3.1
91.05489	44.3
93.07054	32.7
95.04973	43.7
95.08611	15.1
96.09026	3.4
97.06528	13.5
98.21450	5.7
98.98484	3.6
103.05492	6.3
105.07034	80.9
107.08602	23.7
109.06522	28.0
109.10166	6.2
111.08092	24.0
115.05443	9.4
117.07027	31.0
119.08603	49.2
121.06506	15.5
121.10131	11.6
122.07304	4.0
123.04500	5.0
123.08101	5.9
123.11712	3.0
128.06235	11.9
129.07040	20.3
131.08565	42.3
133.06509	20.1
133.10103	14.2
135.08067	73.6
135.11649	3.5
136.08516	4.3
137.06070	3.1
139.64888	3.7
141.06975	14.7
142.07808	25.5
143.08563	38.3
144.09325	6.3
145.06470	10.8
145.10114	36.5
147.08023	11.8
147.11703	10.5
149.13220	3.3
151.07544	69.7
153.06995	12.1
154.07724	3.7
155.08557	28.7
156.09328	10.4
157.10144	100.0
159.08057	12.0
159.11694	31.4
161.09612	8.7
163.07515	11.2
165.06998	8.9
165.09084	9.0
166.07787	6.5
167.08551	15.0
168.09338	33.5
169.10120	19.9
170.10902	16.6
171.08023	8.4
171.11732	20.6
172.08841	4.7
173.06007	12.1
173.09622	17.3
173.13330	17.4
175.07593	4.7
175.11226	19.9
177.09123	5.8
179.08551	3.6
180.09312	8.4
181.06445	4.5
181.10129	19.1
183.08034	4.1
183.11708	72.8
185.09650	8.2
185.13268	86.6
187.07536	6.7
187.11168	9.9
187.14870	4.1
189.09149	4.6
193.10083	20.8
195.11784	14.9
196.08846	11.9
197.13225	7.6
199.11218	3.6
201.09103	4.9
201.12761	42.0
203.10652	7.0
203.14496	3.9
207.11612	3.8
209.13292	9.3
211.11205	69.0
213.12753	53.9
215.14177	3.2
217.12280	7.9
219.11890	3.9
219.13885	7.4
227.10806	4.8
229.12244	67.4
231.13786	17.3
233.13263	4.7
239.10760	4.2
241.12234	5.8
243.13818	7.4
247.13272	80.3
340.29080	4.6
363.19391	4.4
385.25540	4.7
403.26263	5.3
404.59436	3.9
413.24878	9.9
431.25839	37.8
441.24304	10.7
459.25409	31.5
477.26303	39.0
478.26227	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	494.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
66.76363	1.5
66.86916	1.5
71.36101	2.4
79.05488	2.3
81.07031	3.3
91.05483	2.9
93.07030	2.7
105.07012	6.3
107.08620	1.9
117.07081	2.4
119.08588	20.3
128.06233	2.7
129.07001	6.1
131.08591	4.1
134.41847	1.9
141.07028	3.9
142.07779	18.8
143.08563	15.3
144.09357	2.3
145.10091	4.6
147.68134	1.5
153.07031	14.1
155.08546	20.0
157.10146	74.2
158.10739	2.0
159.08104	1.9
159.11653	3.1
165.07047	4.4
166.07809	3.8
167.08586	21.4
168.09360	46.7
169.10089	3.1
170.10826	2.4
173.13226	1.6
178.07794	3.2
181.06458	4.5
181.10127	23.3
182.10876	1.9
183.11710	100.0
184.11975	2.4
185.13326	16.7
193.10159	32.8
195.11661	3.5
196.08846	8.5
201.12820	4.2
211.11194	87.4
212.11517	2.5
213.12778	2.0
229.12256	31.8
231.13780	4.3
264.43787	1.6
344.17590	1.8
413.20023	1.7
474.86343	1.7
494.88510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
55.95842	2.6
63.53983	2.5
67.05495	4.1
70.11927	12.4
72.90608	2.4
77.99615	2.4
79.05510	4.8
81.07044	5.7
91.05505	8.0
93.07077	2.7
95.08611	3.8
99.78002	2.6
100.52215	2.9
105.07046	11.1
107.08607	4.3
117.07045	4.5
119.08579	32.0
121.06554	3.0
121.10178	3.6
128.06253	6.4
129.07014	8.3
131.08580	12.9
133.10136	4.4
141.07014	5.5
142.07803	21.3
143.08530	13.0
144.09296	3.4
145.10152	10.1
148.73253	2.8
153.06993	15.3
155.08553	22.3
156.09398	4.5
157.10149	89.3
159.11722	8.4
165.07083	4.3
166.07817	6.0
167.08601	20.0
168.09360	52.6
169.10081	10.1
173.13228	3.9
181.06520	6.6
181.10150	27.9
183.11702	100.0
184.12117	3.9
185.13240	16.2
187.14891	3.6
193.10146	34.1
195.08075	4.0
196.08795	14.1
201.12868	2.8
209.84875	3.1
211.11188	97.8
229.12263	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
55.05512	4.3
65.03934	2.6
67.05514	7.5
70.68962	2.7
70.69291	5.2
74.27283	3.3
79.05503	8.0
81.07063	7.8
91.05489	10.3
93.07054	7.4
95.04986	3.4
95.08605	5.6
105.07029	12.0
107.08638	3.8
109.10171	4.0
114.21562	2.4
117.07049	6.6
119.08583	34.6
121.06493	3.1
128.06262	4.4
129.07034	9.5
131.08583	10.1
133.10167	5.0
135.08086	3.5
141.06975	9.9
142.07787	28.6
143.08557	12.8
144.09364	6.9
145.10196	12.9
153.07047	13.4
155.08562	18.4
155.19113	2.7
157.10146	84.7
158.10315	3.2
159.11711	10.9
165.07039	5.5
166.07762	6.9
167.08527	16.2
168.09357	55.3
169.10121	5.5
177.90565	2.5
181.06459	3.9
181.10124	23.5
183.11710	100.0
185.13280	18.2
187.11200	4.7
193.10114	29.0
195.08199	3.6
195.11736	5.9
196.08858	11.0
196.78151	2.7
201.09244	3.2
201.12856	3.6
205.27499	3.0
211.11194	85.7
229.12247	33.0
231.13815	4.8
251.49466	4.0
441.24094	3.8
459.25452	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05562	1.4
53.64613	1.4
56.17087	1.5
57.03450	9.1
69.03436	2.2
69.64790	8.8
71.05003	73.3
71.66179	1.6
75.04470	4.5
83.04966	6.5
85.02915	100.0
87.04457	2.9
91.05489	2.6
106.12650	1.6
106.51535	1.5
107.04990	2.1
109.02847	1.5
111.04453	4.9
127.03847	2.2
129.05498	40.9
134.05943	1.7
137.02357	17.9
141.05103	1.7
145.05005	2.2
147.06529	21.7
162.06683	1.7
164.09171	2.7
169.04988	24.2
187.07590	1.8
236.08272	1.8
276.62320	3.5
277.12442	2.2
285.13528	4.5
285.63745	2.6
489.31787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05510	1.0
57.03434	9.2
61.02929	1.3
64.23724	0.7
66.23129	0.9
69.03426	11.7
70.20450	3.1
71.04997	72.5
73.02911	2.5
75.04491	4.9
81.03398	1.1
83.04977	9.2
85.02909	100.0
86.03245	1.1
87.04472	2.2
91.05492	6.3
95.04993	1.3
97.02901	3.7
98.21398	1.1
103.03978	0.8
105.07041	1.1
111.04444	5.4
119.04931	4.1
121.06593	0.9
127.03924	4.5
129.05487	39.6
137.06030	0.8
138.15538	0.9
139.03848	1.0
145.04958	1.9
147.06528	20.3
151.03893	0.9
151.07541	29.2
163.07588	1.2
163.10028	0.8
164.09204	6.4
165.07851	1.0
165.09093	4.1
167.23624	0.8
169.08649	3.4
175.07608	1.0
176.22751	0.8
178.08624	2.7
179.07019	1.1
181.08653	2.3
184.09717	0.8
189.09241	1.0
193.08636	7.5
205.08641	0.9
217.08627	1.1
235.09602	2.9
255.08609	2.1
261.11230	8.8
267.06531	1.0
273.09851	1.1
277.10791	2.2
279.12241	1.9
309.11981	1.4
402.42551	0.9
419.49078	0.8
444.86752	0.8
468.68430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.281
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.17302	0.2
55.05514	4.7
56.05048	0.3
57.05816	0.6
67.05506	0.6
70.30646	1.1
72.08157	43.4
79.05480	0.5
81.07068	0.8
91.05488	1.0
93.07053	1.5
95.04961	0.7
95.08612	0.4
103.05453	2.5
105.07035	1.1
107.08566	0.6
117.07033	0.9
119.08594	0.9
120.08107	100.0
121.08457	0.8
129.06973	0.6
130.79654	0.3
131.08543	0.8
133.10104	0.3
135.08064	0.5
142.07797	0.7
143.08551	0.9
145.10107	0.8
147.08122	0.3
157.10115	1.1
159.11705	0.7
161.09624	0.3
161.13255	0.3
169.10170	0.4
171.14922	6.2
173.09563	0.3
174.12773	2.7
181.10176	0.6
183.11740	0.7
185.09688	0.4
185.13348	0.5
199.11377	0.3
199.14424	6.7
201.12541	0.3
211.11179	0.5
213.12831	0.3
219.14932	16.7
220.15178	0.3
222.12737	1.0
223.11053	0.3
229.12236	0.5
231.13655	0.3
247.14441	20.1
248.14711	0.4
267.14920	7.1
273.19595	0.8
295.14420	12.4
301.19131	3.1
321.19586	0.7
346.21249	4.9
349.19125	1.8
394.21307	4.3
448.25494	0.5
465.28012	0.5
475.24420	0.8
493.25711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3293
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
52.65063	0.5
55.05508	0.7
56.09114	0.5
67.05508	2.2
69.07047	1.1
71.08654	0.5
71.12325	0.6
71.12650	0.6
72.16686	0.4
72.78641	0.4
79.05502	1.6
81.07072	2.7
81.07503	0.4
83.08611	0.7
84.56284	0.4
91.05489	0.7
93.07045	1.4
95.08603	2.1
97.02659	2.0
98.21504	0.4
102.57526	0.4
105.07064	1.5
107.08609	1.3
109.10165	1.5
117.07053	0.8
119.08597	2.2
121.10130	0.9
131.08607	0.7
135.11743	0.7
143.08614	0.6
145.10164	0.8
157.10164	1.1
159.11772	1.2
181.23732	0.4
200.00568	0.5
239.14130	1.4
243.06493	0.5
249.26530	0.4
275.16254	0.9
275.94443	0.4
277.17773	6.5
289.14194	4.2
313.17752	20.0
438.38318	0.5
493.32904	100.0
494.33276	3.1
502.08655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
53.41544	3.3
55.01878	4.0
55.05510	41.0
57.06829	3.6
57.07083	44.9
63.01023	3.6
67.05504	32.2
69.06734	4.0
69.07073	70.8
71.08643	34.7
71.18340	4.8
71.18675	5.2
79.05495	36.5
81.07061	76.1
83.04999	4.8
83.08619	62.4
85.06528	6.9
85.10190	22.4
91.05473	13.4
93.03410	5.8
93.07045	100.0
95.08041	6.0
95.08613	68.4
97.06532	6.2
97.10173	29.5
99.08086	5.3
105.07021	14.0
107.08599	64.9
109.06509	11.8
109.10158	49.1
111.08083	8.3
111.11734	24.0
115.07557	7.6
117.38826	3.3
119.08581	13.3
121.06516	13.6
121.10155	41.6
123.11729	19.5
125.05984	4.3
125.09668	5.1
125.13259	10.1
127.07548	27.4
131.08611	4.6
133.10123	10.5
135.08009	4.6
135.11707	37.4
137.09691	3.2
137.13284	7.7
137.91940	3.5
139.07506	6.0
139.14833	5.1
143.07025	20.7
145.10156	7.7
147.11684	6.4
149.09656	9.0
149.13254	42.9
150.35159	3.1
151.14809	7.6
153.09116	12.3
159.11700	10.6
163.11217	7.1
163.14827	39.6
165.12764	5.2
165.14384	3.6
165.16325	5.8
167.10582	3.9
167.14293	7.0
173.11819	4.4
173.13235	7.6
175.14824	5.7
177.12723	8.4
177.16382	15.6
182.45033	3.6
189.16486	5.3
191.14282	9.4
191.18002	8.6
195.17310	4.5
201.16458	4.8
203.17969	14.5
205.19560	7.4
219.21019	4.0
229.19604	4.3
233.22603	11.8
289.28928	78.5
299.27359	10.4
307.29962	65.2
317.28433	55.6
349.30997	37.3
397.27249	4.4
407.64749	3.9
467.17035	4.5
493.38889	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	493.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00093	5.6
53.03959	10.0
55.01866	13.7
55.05513	17.6
67.05502	16.4
69.03452	11.5
69.07052	9.5
70.63586	5.3
79.05492	40.6
81.07058	51.9
85.50916	6.7
89.40786	5.6
91.05482	86.4
93.07040	100.0
95.04980	22.7
95.08614	17.5
99.79369	6.1
103.05478	8.8
105.07034	94.9
107.04950	15.1
107.08587	35.4
109.06549	10.9
111.08144	5.6
113.32832	5.6
115.05441	11.3
117.07029	47.7
119.08587	94.6
121.06538	17.4
121.10178	10.9
123.04388	7.0
125.15340	6.7
128.06230	23.4
129.07034	46.8
130.07811	9.5
131.08583	63.2
133.06493	12.4
133.10146	27.5
135.08061	24.4
141.07034	26.3
142.07794	34.1
143.08586	76.0
144.09334	13.4
145.06482	9.2
145.10107	62.6
147.08043	55.4
147.11685	15.5
149.05974	7.4
149.09587	9.5
151.07562	9.3
153.07036	18.8
153.46712	5.9
154.07761	12.6
155.08557	43.2
156.09340	20.7
157.10146	81.4
159.08063	17.4
159.11719	73.8
161.06003	7.5
161.09604	22.0
161.13266	9.3
163.07555	15.9
165.07010	24.1
165.09129	35.0
166.07835	14.0
167.08578	27.7
168.09331	26.1
169.10095	60.5
170.10861	11.2
171.08047	15.1
171.11690	74.3
173.09644	35.3
173.13240	8.5
175.07570	13.3
175.11221	18.0
179.08545	13.5
180.09387	17.1
181.10088	35.0
182.10921	16.4
183.11711	52.5
185.09674	20.4
185.13281	38.0
187.11163	33.4
189.09099	18.2
191.10730	14.2
192.09317	7.4
193.10132	20.5
195.08089	12.3
195.11699	42.0
196.08890	8.8
197.09579	12.1
197.13293	32.3
199.11179	28.1
201.08972	6.7
201.12772	19.1
203.10738	15.2
205.12227	7.7
207.11787	21.0
209.09573	9.7
209.13347	10.0
210.10590	6.9
211.11211	34.7
211.14696	6.8
213.09212	8.9
213.12744	21.7
215.10751	12.1
217.12195	7.5
219.11804	11.8
221.13361	9.4
223.11250	17.6
225.12709	80.4
227.10715	21.0
229.12317	47.3
231.13870	15.7
239.10672	10.0
241.12337	36.3
243.13779	31.4
245.11664	13.1
247.13347	15.1
253.12210	6.7
257.11667	11.6
259.13156	31.1
273.14972	8.5
287.12708	15.2
321.18393	8.2
371.19998	9.7
383.24121	8.1
389.21033	9.1
411.23074	16.7
415.22415	7.3
429.24164	37.1
433.23666	11.4
439.22794	11.1
447.25333	28.0
448.86487	7.3
457.23669	29.9
475.24850	40.5
493.25949	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	493.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01870	5.9
55.05505	9.1
57.36404	3.9
67.05515	21.0
69.03422	6.8
69.07058	10.5
69.48160	3.5
69.53697	3.6
71.21099	6.2
79.05489	28.9
80.66909	3.5
81.07049	38.6
83.04990	3.8
91.05484	55.3
92.48827	3.6
93.07053	36.8
95.04979	40.6
95.08587	16.3
97.06514	8.0
103.05464	5.6
105.07039	67.1
107.04942	15.1
107.08580	31.2
107.67705	4.0
109.06537	7.0
109.10140	6.1
113.95269	4.5
115.05436	14.8
115.97666	3.4
116.06254	4.8
117.07045	35.5
119.04920	5.5
119.08578	57.3
121.06493	15.1
121.10142	13.2
123.04421	5.0
123.08054	6.1
125.09588	5.5
128.06207	28.2
129.06995	45.5
131.08578	59.3
133.06471	9.4
133.10120	20.7
135.08032	29.7
135.11638	4.4
136.04199	3.9
138.60698	3.8
141.06989	21.8
142.07779	41.2
143.07497	6.6
143.08572	97.4
144.09340	10.4
145.06471	10.6
145.10121	56.4
147.08038	17.0
147.11687	12.5
149.09659	5.9
151.07513	6.3
153.06961	13.0
154.07753	14.1
155.08571	39.3
156.09360	36.5
157.06534	5.3
157.10136	100.0
157.75401	3.6
158.07231	5.1
158.10919	5.1
159.08067	18.3
159.11711	43.8
161.05925	7.6
161.09618	9.8
161.13223	19.4
163.07549	10.6
165.07010	21.0
166.07799	11.3
167.08594	22.2
168.09337	21.9
169.10138	66.6
170.10912	8.5
171.08060	13.1
171.11691	91.9
173.05934	7.5
173.09613	19.8
173.13206	13.9
175.07527	9.3
175.11203	12.7
177.09012	7.1
179.08525	14.6
180.09358	7.7
181.10153	37.0
182.10811	5.4
183.08113	5.9
183.11702	60.5
185.06161	4.3
185.09584	12.9
185.13222	39.6
187.07512	5.6
187.11208	15.1
187.14880	5.1
189.09160	6.0
189.12808	11.5
191.10660	5.1
192.09352	7.6
193.10155	18.8
195.11748	29.5
196.08727	5.8
197.09602	15.6
197.13268	9.0
199.07426	5.1
199.11183	38.0
199.14833	4.9
201.09129	5.8
201.12782	20.4
203.10710	7.1
205.10110	5.2
207.11606	8.6
209.09583	9.1
211.11197	27.3
213.09090	8.0
213.12694	27.0
215.10649	15.4
217.10309	6.4
217.12247	25.7
217.21965	4.0
219.11794	5.4
219.13795	5.1
221.13217	6.6
223.11194	8.7
225.09236	4.2
225.12650	9.2
227.10703	31.0
229.12231	70.6
231.13783	12.0
239.10703	8.5
241.12231	27.9
243.13852	7.6
245.11691	41.6
251.10535	5.2
251.14336	5.5
255.13979	3.7
257.11734	5.2
259.13165	5.1
263.37460	4.6
267.13861	5.1
283.92914	4.3
287.12912	6.9
411.23187	13.4
413.24799	5.6
429.24268	32.7
431.25677	4.8
439.22525	13.0
447.25247	28.4
449.26907	19.5
457.23846	45.5
475.24884	98.8
493.25827	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.9
55.01861	7.8
55.05513	11.4
60.21651	3.9
65.03936	4.8
67.05513	30.5
69.03419	15.0
69.07053	14.8
71.04980	4.9
71.56110	6.3
77.58319	3.9
79.05497	35.7
81.03416	6.3
81.07059	59.8
83.05001	5.5
91.05490	72.5
93.07053	56.6
93.62514	4.5
95.04968	25.5
95.08604	30.3
96.34061	4.6
97.06524	14.8
103.05455	12.3
105.07040	91.5
107.04963	14.3
107.08602	34.4
109.06534	12.5
109.10156	14.6
111.04494	4.3
115.05441	13.2
116.06276	4.4
117.07030	35.1
119.04934	6.3
119.08588	100.0
121.06499	24.4
121.10156	17.7
123.11801	4.8
127.67545	3.8
128.06244	25.7
129.07010	36.8
130.07866	5.9
131.04890	4.9
131.08580	72.6
133.06485	17.2
133.10124	24.4
135.08044	14.1
135.11702	10.0
137.06024	5.2
137.09641	6.3
141.07037	20.2
142.07777	30.0
143.08556	51.9
144.09355	5.4
145.06490	18.1
145.10132	48.8
147.08078	19.0
147.11696	11.1
149.06000	8.6
149.09625	7.2
151.07530	6.2
153.06946	16.8
154.07788	11.9
155.08582	57.2
155.09744	7.6
156.09412	19.0
157.06544	7.4
157.10138	65.6
158.07291	4.8
159.08061	30.8
159.11679	44.8
160.08867	5.7
161.05977	7.0
161.09659	9.1
161.13293	47.9
163.07570	8.6
165.07018	15.0
166.07750	16.1
167.08592	31.9
168.09355	32.6
168.10599	5.3
169.06474	7.1
169.10130	38.7
170.10788	5.9
171.08064	29.4
171.11665	40.2
173.05972	5.4
173.09612	29.3
173.13222	12.7
175.07539	6.4
175.11133	7.5
177.12801	4.5
178.07741	5.7
179.08522	14.7
180.09317	10.2
181.10158	38.7
182.10858	12.2
183.08041	13.8
183.11696	61.6
184.08815	14.3
185.09624	24.5
185.13254	23.3
187.07576	4.9
187.11168	12.9
189.09103	6.1
192.09235	6.8
193.10170	21.0
195.08028	6.9
195.11684	21.6
196.08899	9.2
197.09547	12.9
197.13252	48.3
198.13663	6.1
199.11183	63.1
199.14857	5.4
201.12689	20.3
203.10670	5.9
205.10164	6.9
206.10870	5.5
207.11673	16.8
209.09669	15.2
209.13293	11.1
211.11176	51.4
212.11726	4.7
213.09122	5.8
213.12758	19.1
215.10699	11.2
215.14304	14.1
221.09702	6.3
221.13301	8.2
223.11212	12.4
225.09093	7.0
225.12697	29.8
226.13083	5.4
227.10703	69.6
229.12257	59.3
231.13803	10.5
235.11261	10.1
237.12616	12.1
239.10588	5.3
241.12317	13.1
243.13805	17.2
244.14279	5.9
245.11766	34.0
247.13181	8.0
251.10513	8.6
253.12482	7.3
259.13300	15.7
261.12579	5.1
269.11826	5.8
275.47055	4.2
287.12784	4.5
295.13245	8.0
313.10660	7.6
315.12106	9.2
335.16519	5.0
353.17474	9.8
363.20081	5.2
365.17548	5.0
381.17014	9.3
391.19250	5.7
411.23050	14.5
413.24979	10.3
429.24316	33.7
430.24854	7.9
438.10495	4.6
439.22485	19.1
447.25482	26.7
457.23840	35.9
458.23941	7.8
461.62811	4.2
470.99643	5.1
475.25110	36.5
493.25821	33.7
493.32779	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	492.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05393	4.2
55.05509	15.1
57.03441	4.2
58.67088	4.4
67.05519	33.4
69.07068	20.4
70.48073	12.3
71.04993	11.4
79.05496	10.0
81.07065	53.0
83.08646	5.8
85.06541	7.8
91.05480	27.4
93.07056	83.0
95.08617	57.5
95.38084	4.5
105.07039	72.1
107.08602	38.8
109.10168	100.0
111.08092	19.1
113.09631	5.9
116.81486	3.7
117.07017	5.1
119.08596	59.8
121.10152	49.6
123.11716	6.5
125.09657	13.9
127.11205	39.6
131.08594	15.8
133.10152	30.1
135.11681	10.2
145.10135	41.5
147.11697	66.3
149.13245	6.5
159.11693	45.5
161.13263	89.8
170.62099	4.3
173.13145	10.3
175.14841	16.0
177.16405	13.2
179.14334	5.2
195.31586	4.0
201.16394	66.5
203.17975	82.9
211.32620	4.6
219.17444	66.5
226.79004	4.4
237.18494	26.1
423.20059	5.3
429.55539	4.9
492.37250	15.6
496.57208	4.3
516.68048	4.6
517.76996	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	492.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14533	12.6
67.05497	62.0
69.07059	15.7
69.37751	88.2
71.04984	16.1
79.05478	24.2
81.07065	85.7
91.05467	37.0
93.07042	100.0
95.08604	61.3
98.21030	61.7
105.07043	73.6
107.08586	67.0
109.10163	83.6
111.08034	24.9
117.07021	23.8
119.08589	69.2
121.10128	43.9
125.09689	14.5
127.11208	27.5
131.08533	26.4
133.10092	45.2
138.97485	12.9
143.08517	17.6
145.10143	65.1
147.11707	23.1
153.51720	16.2
155.08611	14.4
157.10129	30.5
159.11668	64.3
161.13260	73.5
175.14880	18.5
177.16501	13.9
201.16405	40.1
219.17500	71.5
251.59094	13.2
475.24597	29.3
492.37048	33.5
519.69171	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	492.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.7
56.71535	6.3
57.07073	7.6
67.05513	35.7
68.61114	6.5
69.07059	14.8
71.04991	9.8
71.17332	15.5
79.05509	10.8
81.07053	48.6
83.72191	6.5
91.05474	26.9
93.07048	84.4
95.04974	8.0
95.08624	58.0
105.07040	56.7
107.08620	43.4
109.10164	97.9
111.08085	29.6
113.09664	10.2
119.08602	67.7
121.10157	49.3
125.09647	9.6
127.11200	40.0
131.08617	17.0
133.10124	30.6
135.11711	12.4
145.10110	48.8
147.11691	26.0
159.11693	55.3
161.13254	100.0
173.13298	19.0
175.14818	10.3
177.16512	9.0
201.16367	54.9
203.18111	14.6
208.20711	14.2
219.17430	75.3
234.04222	7.5
237.18497	30.2
284.52969	8.1
306.30704	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	492.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59700	3.8
53.03931	4.5
55.05508	5.1
61.66137	4.5
67.05508	12.7
67.38306	4.1
69.03410	15.1
69.07081	4.0
69.90038	3.7
71.55145	4.6
79.05517	22.7
81.07051	15.9
83.04974	5.0
91.05478	37.1
93.07044	35.7
95.04970	8.8
95.08603	13.8
103.05452	5.6
105.07032	47.5
107.08594	30.8
109.06544	4.8
109.10154	8.0
115.05446	4.6
117.07004	23.4
119.08585	36.3
121.06527	9.5
121.10130	8.9
128.06216	12.7
129.07025	22.9
131.08572	26.2
133.06488	14.6
133.10130	12.0
135.08067	16.2
135.11717	28.2
140.87083	5.1
141.06943	7.9
142.07785	27.3
143.08575	44.6
145.06474	9.6
145.10150	30.2
147.08044	7.9
147.11697	8.0
151.07584	12.4
153.07001	7.0
154.07744	8.7
155.08568	25.2
156.09378	19.6
157.06459	5.7
157.10143	91.7
159.08034	11.4
159.11705	28.5
161.09605	6.9
161.13347	4.6
163.07552	6.2
165.06998	15.7
166.07841	7.9
167.08479	9.8
168.09344	5.0
169.10139	23.1
170.10909	31.4
171.08008	6.3
171.11732	24.0
173.09654	13.3
175.07588	7.9
177.09145	4.4
179.08623	7.5
180.09393	14.4
181.10132	27.8
183.11726	25.0
185.09641	12.9
185.13272	96.0
187.11226	7.4
193.10210	7.6
195.11682	31.2
197.13274	9.6
199.11232	28.7
209.09595	10.1
209.13290	5.4
211.11264	11.0
213.12741	49.3
217.12296	4.5
219.11751	10.2
219.13693	5.5
223.11292	6.9
225.12762	12.8
227.10693	18.2
229.12248	10.3
231.11760	7.9
231.13791	51.3
233.13268	4.7
237.12901	6.0
241.12167	7.8
243.13840	6.9
245.11691	80.3
270.14136	5.2
283.14737	5.1
291.17377	4.2
305.15381	9.8
327.17490	7.4
341.19293	4.2
345.03876	4.3
345.18607	4.9
365.19217	5.3
383.20056	8.7
385.21448	8.2
393.22107	10.9
411.23160	28.8
417.28406	4.0
421.21701	16.4
429.24319	30.7
439.22763	62.3
448.71005	4.0
457.23721	87.8
475.24905	100.0
492.26770	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	75.3
71.04997	8.3
71.55319	0.6
73.50691	0.5
76.02213	1.4
79.05491	1.1
79.39764	0.5
80.50681	0.6
81.07037	0.6
83.04980	2.0
83.08616	0.9
85.02909	2.0
91.05508	1.4
94.01582	0.5
97.02883	0.8
99.04448	0.6
103.03951	1.4
107.08605	1.5
119.08551	0.6
121.06511	0.7
121.10159	5.0
123.04404	1.2
127.03916	1.8
135.08063	100.0
136.07520	0.5
136.08472	0.7
137.06029	1.2
139.03896	0.6
145.04961	1.1
149.09569	0.8
151.07555	0.8
157.77643	0.5
164.07138	0.8
165.05467	1.8
173.13266	1.2
177.05522	1.1
191.14322	74.8
194.08226	0.7
194.47752	0.5
198.21529	0.5
200.31682	0.6
252.09418	0.5
272.09924	0.6
285.13611	0.5
312.16330	0.5
317.10184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76531	2.5
55.01873	3.1
67.05500	4.3
68.88065	2.5
70.68017	5.7
70.68349	5.2
79.05486	6.2
81.07055	9.0
83.03024	2.4
91.05516	5.8
93.07040	8.7
95.08613	3.7
98.98454	5.0
105.07051	7.2
107.04951	5.7
107.08596	3.7
115.05415	3.4
117.07027	3.9
119.08586	24.2
128.06216	3.7
128.13744	2.7
129.07021	7.1
131.08557	6.9
135.11678	5.9
139.12915	2.5
141.07002	6.8
142.07777	18.2
143.08597	14.8
144.09381	3.8
145.10078	4.2
152.06270	3.3
153.06999	18.1
155.01073	3.2
155.08585	23.5
157.06483	2.6
157.10138	77.2
159.11723	3.5
163.07567	8.1
166.07825	5.9
167.08566	18.9
168.09361	49.5
169.10144	4.8
171.11749	3.8
178.07837	4.9
181.06490	4.1
181.10149	23.9
183.11713	100.0
185.13254	5.2
187.11206	3.0
193.10164	28.7
196.08833	14.0
201.12817	4.5
211.11191	83.8
213.62128	2.6
215.77211	2.7
227.10596	3.3
229.12248	37.0
241.57655	3.0
245.11806	4.1
251.06917	3.0
338.27551	5.2
475.24487	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	492.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03436	0.7
61.02909	0.9
69.03132	0.3
69.03432	3.6
70.00784	1.1
71.05000	0.5
73.02911	0.4
81.03403	0.9
85.02913	4.6
87.04463	0.5
91.05475	1.2
95.04970	0.5
97.02885	1.8
99.04456	0.5
105.07004	0.5
109.02885	0.8
109.06532	0.4
115.05476	3.3
119.04937	0.8
119.08591	0.5
121.06540	0.3
122.03618	0.9
127.03917	0.7
135.08090	0.7
137.05991	24.3
143.04939	13.1
145.06476	0.4
147.11746	0.4
148.07582	0.4
149.05989	0.7
149.08394	0.8
151.07542	4.5
160.05211	1.6
160.07567	0.5
161.06021	0.5
163.07561	1.1
167.08574	0.9
175.07570	11.8
177.07870	13.9
178.08653	1.0
179.08524	0.7
191.14417	0.9
192.10211	100.0
193.10593	1.1
195.08083	1.4
207.08119	2.2
209.09648	0.4
209.15417	1.7
223.07440	0.5
224.08342	0.5
227.10674	1.7
235.07672	1.5
239.10744	1.8
255.10132	0.7
267.10144	2.5
275.12442	0.3
281.08279	0.6
284.10532	0.5
287.12903	1.2
298.14478	0.6
299.12772	4.7
330.17041	20.0
354.15482	0.6
359.75977	0.4
430.20227	0.3
492.22342	61.6
493.22641	1.4
509.45999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22490	0.5
53.03927	0.8
54.46698	0.6
55.01858	0.8
57.03423	0.8
69.03387	1.6
70.80367	1.3
70.80721	1.1
72.08138	1.4
74.20975	0.5
78.73230	0.6
79.05446	0.6
80.00681	0.5
81.03378	1.7
85.02924	5.3
91.05453	2.4
93.91764	0.6
94.04190	0.9
95.04943	1.3
97.02872	2.1
97.79847	0.5
105.74821	0.6
109.02863	0.8
109.06566	0.7
115.01962	0.6
115.05457	5.7
119.04926	1.8
121.02856	4.4
122.03597	2.1
127.03891	1.1
127.99038	0.6
131.04863	0.7
137.05991	40.7
139.03857	1.6
143.04935	23.1
149.05969	0.8
149.08325	0.6
151.07536	5.7
160.05222	3.4
160.07585	0.6
161.05954	0.6
163.07567	0.9
164.07094	3.9
167.08598	1.6
175.07570	17.5
177.07869	12.5
178.08746	1.1
179.08534	1.7
183.08038	1.0
192.10208	100.0
193.10648	1.3
195.08025	1.4
197.05936	0.9
207.08075	4.8
210.07750	2.7
211.07608	1.5
221.06036	1.5
223.07587	1.6
224.08315	1.0
225.09180	1.0
227.10677	2.7
235.07590	4.6
236.08336	0.6
237.09184	1.2
238.06302	5.1
239.06892	1.4
239.10715	2.2
241.08652	1.7
249.05563	1.3
252.07732	0.6
253.08659	5.6
255.06633	0.9
255.10138	1.3
263.07056	1.0
266.05811	1.6
267.10165	3.0
269.08136	2.1
279.06540	0.8
280.07385	0.6
281.08099	15.9
283.06177	1.2
283.09521	0.8
287.12820	1.2
295.09729	3.3
298.08386	9.3
298.14078	0.9
299.12820	9.1
313.10617	7.7
330.13504	1.0
330.16977	21.7
354.15497	31.7
475.16086	5.5
492.22504	64.5
493.22787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2433
Annotation	Lindenanolide F
Peak:m/z	Relative Intensity
51.02394	3.5
51.30418	2.9
53.03950	5.7
55.01874	6.8
55.05510	16.6
65.03923	5.1
67.05511	65.1
69.03423	7.9
69.07078	14.8
71.56439	4.9
79.05493	30.2
81.07059	60.1
83.04994	6.0
83.08627	8.7
91.05485	40.6
93.07042	37.8
95.04370	5.6
95.04972	84.4
95.05556	5.4
95.08611	39.1
97.06539	6.9
103.05505	7.7
105.07030	60.5
106.11319	3.0
107.04955	4.5
107.08598	26.8
109.02865	2.8
109.06528	87.7
109.07256	5.2
109.10149	34.1
111.04431	5.5
111.08102	6.9
115.05473	9.5
116.06247	3.3
117.07051	17.3
119.04951	4.6
119.08581	39.1
121.06491	21.2
121.10158	15.1
123.08115	5.8
123.11723	6.5
128.06198	15.9
129.07005	27.6
130.07829	6.8
131.04965	4.3
131.07692	5.1
131.08568	35.5
133.06543	6.1
133.10112	18.0
135.08066	73.0
135.11714	8.2
137.09663	3.9
141.07027	11.8
142.07782	23.0
143.08574	39.6
144.05724	3.9
144.09358	6.7
145.06464	14.9
145.10127	32.3
147.08098	12.1
147.11757	10.3
149.06030	4.5
149.09709	5.5
149.13280	4.5
151.07588	3.0
153.07019	10.0
154.07805	8.3
155.08572	28.4
155.10730	3.2
156.09338	13.4
157.06580	5.7
157.10141	38.7
158.07304	8.5
159.08051	24.5
159.11681	20.3
160.08829	5.2
161.05966	2.9
161.09644	8.8
161.13263	21.7
163.14899	8.4
165.06996	18.1
166.07813	9.7
167.08568	15.5
168.09381	7.8
169.06544	4.9
169.10167	22.0
170.07376	4.1
170.10930	5.2
171.08070	24.3
171.11676	17.8
172.08844	5.6
173.09633	38.1
173.11804	7.3
173.13376	10.8
175.07663	4.3
175.11296	11.6
178.07735	3.4
179.08650	7.7
180.09422	8.5
181.06509	3.2
181.10152	18.9
183.08090	10.2
183.11699	17.3
184.08908	10.1
185.09639	24.0
185.13210	16.3
186.10452	8.6
187.07759	3.3
187.11246	9.7
193.10226	11.8
195.08179	6.0
195.11734	30.6
196.08859	4.4
197.09581	15.3
197.13359	7.5
198.10394	7.6
199.07616	4.5
199.11194	66.4
199.12837	4.7
201.09105	2.9
201.12788	10.8
201.16515	9.0
203.10634	5.6
206.05913	3.4
207.08405	3.0
207.11783	4.5
208.08920	4.2
209.09712	11.9
209.13330	4.5
211.11206	18.2
213.09195	7.2
213.12737	35.8
215.10811	3.5
219.17506	14.6
221.09683	3.9
223.11145	15.7
225.12865	5.8
227.10693	45.0
229.12392	12.6
231.13979	6.7
237.12773	4.8
237.18646	11.1
239.10625	5.0
241.12379	10.3
243.10283	3.6
245.11685	26.8
247.13260	27.4
259.13449	10.0
261.12997	3.5
269.11786	4.1
297.11230	4.3
313.31650	3.6
342.95166	2.8
349.18228	9.3
381.22540	3.7
399.19296	13.8
399.24161	4.0
401.25381	3.4
409.21732	6.5
411.23093	5.5
414.21942	44.6
417.24277	5.0
427.22781	20.9
429.24371	38.6
437.21521	4.6
445.23798	90.9
446.94821	3.4
447.25388	5.4
455.22031	16.9
473.23315	69.6
473.29742	5.5
491.24469	100.0
491.31076	12.8
491.37311	27.6
492.24789	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	491.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01863	6.4
67.05504	10.0
69.03433	7.0
69.38912	14.3
69.39339	14.0
76.00864	3.8
77.26468	3.6
79.05482	23.5
81.07048	15.7
91.05492	34.6
93.07049	12.9
95.04960	13.5
95.08592	7.1
98.20769	7.7
103.05473	6.3
105.07033	41.0
107.04952	5.8
107.08593	11.3
109.06496	6.2
115.05452	13.2
116.06216	3.9
117.07014	28.3
119.05019	4.3
119.08580	24.3
121.06514	11.2
121.10040	3.8
128.06232	27.1
129.07016	49.5
130.07762	7.1
131.08572	37.4
133.06517	8.7
133.10107	7.9
135.08052	16.8
141.06995	39.2
142.07794	32.7
143.05002	3.3
143.08574	60.4
145.06476	13.4
145.10144	24.2
147.08018	7.7
147.11600	4.0
149.05974	8.0
152.06261	9.9
153.06975	28.3
154.07791	15.3
155.08557	61.1
156.09395	16.6
157.06491	12.0
157.10127	66.6
158.07237	10.2
159.08080	17.5
159.11713	21.1
161.09627	6.5
163.07497	3.9
165.06992	58.2
166.07799	26.3
167.08582	38.9
168.09373	21.5
169.06512	9.8
169.10124	45.8
171.08034	24.7
171.11685	30.3
172.08818	4.3
173.05946	7.3
173.09607	25.2
175.11154	5.4
178.07736	6.1
179.08502	17.2
180.09401	32.4
181.06522	5.0
181.10126	39.3
182.07204	4.5
182.10954	4.9
183.08022	17.1
183.11707	50.2
184.07436	3.7
184.08867	15.1
185.09613	45.0
185.13268	8.9
187.07646	6.5
187.11192	6.3
189.09328	3.1
190.07811	5.7
191.08513	5.7
192.09352	8.7
193.10121	24.6
194.07297	4.5
194.53944	3.6
195.08017	10.3
195.11707	90.3
195.13423	6.9
197.09634	15.3
197.13258	13.1
198.10361	4.3
199.07561	9.5
199.11195	73.1
200.11794	4.2
201.12759	15.4
205.10136	6.9
207.11714	11.2
208.08817	5.4
209.09709	21.4
211.07445	3.5
211.11189	23.7
212.08295	4.4
213.09163	23.4
213.12680	18.1
215.10570	5.2
217.10233	4.6
221.09781	4.4
221.13283	3.9
223.11241	19.3
225.09128	11.9
225.12715	10.4
227.10675	100.0
229.12248	33.3
230.12570	4.5
231.11823	4.3
235.11227	7.7
239.10793	4.4
241.12260	49.5
245.11736	40.5
249.12616	3.9
251.10739	7.4
253.12297	7.9
254.38356	3.5
259.13232	5.3
269.11786	10.2
297.11356	5.0
307.48599	3.7
313.10815	16.5
315.12161	6.1
370.54984	3.6
381.22089	4.6
383.23819	5.4
409.21756	18.5
411.23184	12.8
427.22797	73.5
429.24323	5.7
437.21118	11.6
445.23846	16.9
455.22165	32.9
473.23376	44.2
491.24200	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.8
55.05501	8.3
67.05479	8.5
69.03437	5.2
69.07050	3.1
71.28735	4.5
79.05492	17.5
81.07064	16.9
81.79736	2.5
82.19804	2.6
91.05491	27.4
93.07055	19.0
95.04950	9.6
95.08599	4.3
103.05478	16.0
105.07043	35.4
107.08575	10.8
109.06534	2.9
115.05456	13.1
117.07012	22.0
119.08582	20.2
121.06509	6.4
121.10133	3.9
128.06221	15.8
129.07013	23.3
130.07767	5.7
131.04944	5.7
131.08568	23.2
133.06435	4.1
133.10109	6.2
135.08046	21.2
135.11722	3.3
141.06995	26.0
142.07748	15.4
143.08578	41.8
145.06497	8.6
145.10130	34.4
147.08052	6.1
147.11678	4.3
149.05975	8.6
149.09659	4.3
152.06226	4.2
153.06976	18.7
154.07779	19.8
155.08572	40.6
156.09325	8.6
157.06425	3.7
157.10124	27.4
158.07307	8.5
159.08095	14.1
159.11705	13.0
159.83163	2.9
161.06068	3.4
161.09613	6.0
165.07008	10.9
166.07753	6.3
167.08569	26.9
168.09305	14.0
169.06447	3.9
169.10130	62.3
171.08089	15.3
171.11723	26.3
173.09633	17.3
175.11143	5.7
178.07776	6.1
179.08565	15.7
180.09312	8.5
181.06451	5.7
181.10088	15.3
182.07266	8.4
182.10910	8.0
183.08061	7.6
183.11703	34.8
184.08839	6.2
185.09596	21.6
185.13271	9.0
185.79057	3.0
187.07527	6.5
187.11221	7.4
187.14801	9.7
191.08519	3.6
191.10631	4.6
192.09329	5.5
193.10107	11.6
195.08089	6.9
195.11734	18.9
197.09613	63.0
197.13252	34.3
199.11209	25.9
201.09120	10.3
201.12723	8.0
203.10614	3.5
205.10173	7.8
207.11688	20.4
209.09657	6.8
210.10478	3.2
211.11128	26.6
213.09090	5.2
213.12724	6.8
215.10664	18.7
215.14272	8.8
221.09500	4.1
223.11168	25.1
225.09024	11.0
225.12730	22.9
227.10616	14.1
229.12234	27.2
235.11243	3.3
239.10632	4.3
241.12230	10.8
243.10159	100.0
243.13797	58.9
245.11806	18.1
251.10628	5.0
253.12199	6.4
255.13699	4.7
257.11670	8.3
259.81705	3.2
269.11710	8.7
271.13196	5.3
287.12823	18.3
301.14203	14.4
313.14407	11.1
388.92416	3.4
409.21640	7.0
427.22546	14.8
437.20978	8.5
445.23715	10.5
455.21982	20.2
473.23209	18.8
491.24295	33.3
499.72330	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05510	1.8
57.03440	10.4
61.02919	1.4
69.03415	2.1
69.74168	4.3
71.01343	0.7
71.04997	77.9
73.02913	2.6
75.04473	3.3
81.03400	1.3
83.04991	7.3
85.02910	100.0
86.80920	0.8
87.04478	2.0
91.05476	0.8
97.02901	3.3
99.04446	1.3
103.03942	1.2
105.07040	2.2
109.02872	0.9
111.04434	4.6
124.05213	3.1
127.03948	2.8
129.05492	45.5
133.06508	1.2
137.05952	2.9
142.18243	0.8
145.04939	2.9
146.08153	1.3
147.06538	18.7
164.02106	0.8
164.09201	3.5
165.09103	7.7
180.08827	1.0
231.10251	0.8
273.09833	0.9
368.52213	0.8
396.50916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01865	3.9
55.05504	3.3
65.03944	1.6
67.05491	5.2
69.03418	3.2
69.07067	1.9
70.04265	4.5
76.88459	1.2
79.05508	7.5
81.07069	8.9
82.63527	1.3
83.04968	1.8
91.05477	18.7
93.07043	9.2
95.04948	3.2
95.08606	3.4
98.20765	1.3
103.05473	14.8
104.80789	1.1
105.06393	1.7
105.07042	23.6
107.04956	1.4
107.08562	4.4
109.02853	1.2
109.06503	2.3
111.08072	1.2
115.05444	5.1
116.06227	1.6
117.07018	11.4
119.08578	13.2
121.06480	3.8
121.60246	1.2
128.06215	13.7
129.07005	19.7
130.07782	4.4
131.04919	2.2
131.08585	15.6
133.06447	2.7
133.10152	3.4
135.08015	3.1
137.05975	2.0
141.06990	20.1
142.07784	11.0
143.08563	31.4
144.09378	1.9
145.06451	4.3
145.10129	25.3
147.08038	6.1
149.06007	5.8
151.07582	1.4
152.06200	3.9
153.06982	12.2
154.07782	18.2
155.06015	1.3
155.08560	37.2
156.09341	6.1
157.06491	2.2
157.10156	18.8
158.07263	4.8
159.08096	8.6
159.11699	5.8
161.06000	2.7
161.09647	2.4
163.07510	3.2
165.07008	10.8
166.07765	6.9
167.08585	18.5
168.09364	13.8
169.06505	2.7
169.10136	54.2
170.07280	4.1
170.10635	1.4
171.08072	13.8
171.11700	21.3
172.08878	1.2
173.05974	2.1
173.09637	8.8
173.13271	2.1
175.07550	4.7
175.11174	1.3
178.07802	4.6
179.08568	14.1
180.09334	5.6
181.06491	4.6
181.10126	10.9
182.07272	13.0
182.10893	9.0
183.08101	6.5
183.11688	19.8
184.08826	4.1
185.09613	16.4
185.13199	2.6
187.07527	3.7
187.11211	7.4
189.09145	2.3
191.08684	1.8
191.10686	4.8
192.09419	6.5
193.10167	6.4
195.08080	8.9
195.11693	19.3
196.08771	2.7
197.09633	64.5
197.13261	30.8
198.10196	2.7
199.07463	1.6
199.11186	14.0
199.14841	3.2
201.09108	4.3
201.12764	2.3
205.10143	6.5
207.08067	1.8
207.11684	10.2
208.08727	2.4
209.09601	6.4
210.10463	1.7
211.11200	21.1
213.09137	6.2
213.12753	3.8
215.10661	15.9
215.14252	2.9
221.09625	2.4
223.11186	26.7
225.09253	8.9
225.12737	21.0
227.10759	8.1
229.12202	20.1
231.10159	2.2
233.09724	1.6
235.11104	2.2
237.12700	1.5
239.10675	2.7
241.08495	2.3
241.12225	8.2
243.10159	100.0
243.13808	56.5
245.11746	7.0
251.10637	3.8
253.12231	3.0
255.13850	3.8
257.11652	2.2
259.13260	2.8
269.11801	7.4
283.13422	1.7
287.12787	22.5
301.14352	15.6
313.14279	12.7
323.93588	1.3
329.15421	1.6
383.19809	1.6
409.21558	6.9
419.20074	2.0
427.22745	8.1
437.21216	7.6
445.23407	5.1
455.22183	18.3
473.23297	13.5
491.24265	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	490.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34055	0.8
55.05513	1.2
55.34917	0.9
57.03446	1.8
59.10197	0.8
61.02926	2.2
63.13754	1.0
67.05495	1.6
69.03445	8.5
71.04994	2.6
71.55363	1.5
73.01247	0.9
73.02930	1.8
75.59297	0.9
79.05496	2.8
81.03426	2.4
81.07086	2.0
83.04990	1.4
83.08547	0.9
85.02915	15.3
91.05499	7.5
93.07045	1.9
95.04978	2.8
95.08614	2.3
97.02908	4.9
103.05482	2.6
105.07050	9.1
107.04983	2.8
107.08598	1.5
108.09023	0.8
109.02908	2.1
115.05470	10.2
117.07059	2.5
119.04931	2.5
119.08626	1.4
120.05758	1.1
121.06519	56.4
123.04453	1.8
127.03944	3.6
131.04872	1.5
132.05775	1.0
132.08119	2.8
133.06531	1.5
133.10143	1.9
135.04404	1.2
135.08070	25.3
137.05992	9.2
137.09683	0.9
143.04935	15.7
144.05688	2.7
145.06480	2.0
147.08017	2.7
149.09572	1.1
151.07579	5.0
159.06784	1.3
159.08047	7.6
159.11691	1.1
160.05263	2.4
160.07584	9.9
161.06001	1.2
162.09200	1.4
163.06288	2.7
163.07550	1.8
165.09134	2.1
167.07021	1.7
175.07573	47.9
176.06984	0.9
177.05661	1.0
177.07831	2.5
178.08626	8.9
180.10233	1.6
190.08603	2.2
192.10233	21.5
206.08151	16.2
208.08789	1.9
220.09718	100.0
221.09911	1.4
223.07678	1.3
223.11201	5.6
233.09796	0.9
251.07140	1.6
251.10670	7.2
253.08469	0.9
268.10992	1.3
275.10660	0.9
281.11731	1.6
283.13297	18.7
300.15982	4.8
310.14404	1.6
328.15448	91.1
329.15823	1.5
373.72607	1.3
386.05356	0.9
405.21011	0.9
472.10278	1.0
490.21765	4.5
504.23801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70242	0.6
56.38035	0.5
69.03431	0.7
69.50094	1.6
69.50523	2.9
72.08169	0.7
81.07053	0.5
82.96277	0.5
84.21599	0.5
85.02900	1.3
90.02284	0.5
93.19078	0.5
96.08132	1.0
101.53384	0.6
107.08652	0.7
109.02878	0.8
109.10165	0.8
114.09181	2.4
115.30891	0.6
123.11729	1.9
142.08614	0.9
165.07033	1.7
166.07779	1.1
167.08601	0.7
177.07039	1.2
179.08557	3.6
181.06465	1.1
181.10136	2.2
189.06985	1.2
190.07744	2.1
191.08566	13.4
192.08989	0.5
193.06477	1.6
193.12790	0.8
194.07288	3.6
195.08089	1.6
202.07661	0.6
205.06526	5.0
206.07228	0.8
207.08055	6.9
208.08841	2.5
209.09644	7.3
210.06776	0.9
217.06497	1.3
218.07263	1.3
219.08076	10.5
220.09018	0.7
221.06026	4.1
222.06752	13.8
223.07550	3.1
224.08310	0.9
225.09079	2.8
233.06004	4.2
234.06676	0.6
235.07704	3.3
236.08330	3.2
237.05615	0.7
237.09102	18.3
238.06462	0.7
238.09511	0.7
239.07123	2.7
247.07652	3.4
248.08466	0.8
249.05569	1.3
250.06267	2.6
251.07056	1.9
251.10703	0.6
253.08553	4.1
255.10164	1.3
263.07025	1.7
264.07886	1.2
265.08621	66.6
266.09189	2.4
267.06601	5.0
267.09952	2.8
270.08896	1.3
279.06512	1.5
279.10172	2.4
282.08890	23.7
283.09174	0.9
285.11121	1.0
296.12863	1.1
297.11237	70.7
298.11404	1.7
311.09103	1.7
311.12778	0.7
313.13391	0.7
328.15454	100.0
329.15823	2.4
408.95770	0.6
490.20642	15.5
490.26709	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	490.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01825	1.1
57.03426	2.9
61.02930	1.3
68.81100	0.7
68.86930	0.8
69.03443	6.7
70.69469	1.1
70.69810	1.7
71.04993	0.8
73.02896	1.5
81.03415	1.5
84.08158	1.1
85.02910	20.1
97.02909	4.0
99.04451	1.5
101.06506	0.8
109.02885	3.1
115.03952	0.7
124.07559	1.0
125.73816	0.8
127.03928	3.7
129.26031	0.7
136.94948	0.7
137.06009	1.3
145.05070	0.8
164.82878	0.8
165.07050	1.2
170.61531	0.8
177.06924	0.8
179.08574	1.6
191.08551	0.9
192.05711	1.0
193.06517	2.3
205.06534	2.4
207.08049	7.4
220.05220	2.7
221.05968	3.5
222.06807	1.3
235.07562	17.5
237.09108	1.5
238.06267	2.4
249.05487	4.9
250.06297	4.8
251.07037	4.3
253.08607	10.8
263.07056	15.3
265.08557	6.8
266.05707	1.6
278.05737	3.3
279.06509	4.2
280.07281	3.2
281.08102	49.0
282.08511	1.5
293.08105	12.0
294.08862	1.3
295.06085	0.9
296.06778	2.9
309.07614	3.4
311.09161	100.0
312.09515	1.9
323.09253	0.9
328.11877	14.6
328.15555	1.1
335.08865	1.2
473.14499	33.5
490.16824	9.7
499.40692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67926	0.4
53.03943	0.5
57.03415	0.9
61.02914	0.9
65.37289	0.5
69.03431	3.5
70.06570	0.6
71.04993	0.5
71.56096	0.6
81.03405	1.3
84.11138	0.5
85.02909	6.1
97.02898	3.4
109.02869	0.7
114.09175	0.6
127.03890	0.9
136.38054	0.5
147.04399	0.8
152.06151	0.9
153.07036	0.7
164.06989	0.5
165.07068	1.6
167.08585	3.5
177.06981	2.7
179.08586	1.5
181.06483	1.1
182.07236	0.8
182.31586	0.5
183.08179	0.8
189.06961	0.8
193.06491	1.7
194.07175	0.5
195.08093	4.3
197.09612	3.0
199.93646	0.4
205.06496	6.8
207.08066	2.2
209.06050	0.6
210.06847	1.1
220.05154	1.2
221.05994	6.9
222.06821	0.9
223.07552	4.6
225.09132	1.3
233.05942	4.0
235.07477	1.0
237.05339	0.9
238.06244	2.2
239.07069	0.7
240.07761	1.0
249.05569	2.6
250.06313	1.2
251.07074	12.6
253.08690	1.1
261.05557	1.5
263.07065	1.2
265.05045	0.6
265.08633	1.1
266.05750	4.8
267.06528	1.1
268.07236	1.1
269.08157	1.1
270.79733	0.6
279.06537	46.4
280.07141	2.7
281.08133	2.5
295.05972	0.9
296.06750	10.3
296.09641	0.9
297.07330	0.8
311.09146	100.0
312.09546	1.4
328.11789	7.5
328.15503	1.0
472.16327	1.4
490.16895	13.0
491.17172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03420	3.4
61.02909	2.5
69.03429	13.8
70.06587	1.3
71.01350	1.1
71.04984	1.3
71.57673	1.6
73.02930	2.0
73.06557	1.8
81.03391	3.6
85.02909	33.9
86.09660	1.0
96.08110	1.8
97.02905	7.7
103.03972	1.5
105.51515	1.1
107.04966	1.2
107.08514	1.2
109.02847	3.7
114.09180	5.6
127.03873	4.9
142.08650	1.2
145.04930	2.5
153.07025	1.2
154.00801	1.0
160.09727	2.1
165.06979	3.5
167.08478	2.6
178.08571	3.5
183.07974	1.6
193.04828	1.6
193.06502	26.5
195.08073	3.6
197.05913	2.1
197.09622	1.6
205.06523	1.3
207.08005	2.1
209.05992	2.3
210.06770	1.4
219.08128	1.3
221.06000	29.6
222.06644	2.6
223.07553	12.2
225.05634	1.1
233.05878	1.6
235.07452	3.9
238.06155	5.3
239.06987	2.5
249.05508	20.1
251.07065	41.4
253.08664	5.3
263.06979	1.7
265.08643	11.8
267.06506	3.7
268.07275	3.4
279.06540	100.0
280.06961	2.5
281.08121	11.4
283.09512	4.6
293.04987	1.6
293.08096	31.2
294.08795	2.4
295.06061	2.3
296.06641	7.6
296.09390	1.3
304.13681	1.5
309.07480	6.3
310.08243	3.9
311.09149	68.7
312.09341	2.0
317.07883	1.5
321.07587	1.8
328.11978	8.7
328.15454	2.6
335.08978	1.9
351.55481	1.2
473.07828	1.5
473.14505	33.4
490.16840	37.7
490.26492	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.4
55.01875	2.4
55.05515	20.1
57.03435	4.9
57.07073	2.5
59.04989	2.3
65.03934	4.9
67.05510	73.9
69.03432	1.4
69.07073	16.0
70.25846	3.0
70.26247	2.5
71.05005	2.7
79.05496	33.7
81.07065	45.5
83.04997	3.4
83.08607	6.3
85.06547	3.5
91.05482	27.3
93.07050	37.1
95.04962	4.9
95.08613	30.2
97.06544	3.6
97.10193	4.8
98.21220	3.0
105.04552	1.5
105.07037	25.7
107.08595	21.5
108.99320	1.3
109.06525	2.1
109.10164	42.9
111.08089	3.4
115.05499	1.5
117.07024	11.9
119.06056	1.2
119.08592	34.6
121.10157	20.0
123.08110	3.2
123.11742	2.1
125.09646	3.2
125.55421	1.1
129.07010	4.9
131.08588	23.5
133.10129	20.8
135.07991	2.2
135.11690	13.0
137.09636	3.7
139.11194	1.8
141.07072	2.4
143.08557	8.6
144.28188	1.4
145.10143	23.2
147.08025	1.8
147.11703	12.9
149.09576	2.5
149.13289	5.5
154.96852	1.5
155.08591	3.8
155.10698	1.5
157.10143	9.0
159.11684	14.1
161.13278	8.3
163.11179	1.5
169.10228	3.7
171.11740	5.8
173.11748	10.0
173.13306	10.6
175.14882	3.5
183.11719	5.2
185.13246	5.5
187.14880	4.7
189.16536	1.6
191.14302	1.6
193.10123	1.5
197.13298	4.9
198.96352	1.4
199.14871	4.0
201.16357	3.0
211.14917	3.5
213.14754	2.4
213.16563	1.8
225.16478	2.4
227.10751	1.3
241.19534	2.1
243.21124	1.7
253.19597	1.7
259.20642	3.0
261.22144	6.2
267.15683	1.4
271.20657	2.5
285.22266	2.5
299.23819	2.1
301.21683	1.8
315.23413	1.4
317.24802	2.2
355.00934	1.3
363.25507	1.5
377.26755	2.9
379.29865	10.1
391.28729	1.8
397.31110	14.4
415.32114	5.5
471.34714	12.8
489.29871	7.5
489.35855	100.0
490.36154	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90244	2.6
52.87259	2.3
53.03940	2.7
55.01874	3.4
55.05516	19.7
57.03415	3.3
57.07059	2.7
57.95850	2.6
65.03956	2.8
67.05510	71.8
67.05872	4.5
68.95515	2.2
69.07069	51.4
71.04990	5.1
71.56702	3.6
78.98791	2.3
79.05495	36.7
81.07061	100.0
83.04990	7.1
83.08608	13.7
85.06560	5.1
88.69099	2.7
91.05491	13.4
93.07052	55.0
95.04955	5.4
95.08611	84.0
97.06545	12.9
97.10150	8.9
99.08080	2.8
105.07037	16.6
107.08606	16.3
109.06501	4.3
109.10169	35.3
111.08100	3.7
111.11694	5.8
117.07021	5.5
119.08596	16.0
119.91109	2.7
121.10146	39.4
123.11723	15.1
125.09698	3.8
129.07004	2.9
131.08586	13.9
133.10144	10.9
135.08029	3.8
135.11720	22.8
137.13306	7.8
139.11192	27.7
143.08525	3.2
145.10126	13.0
147.11697	13.8
149.09549	2.6
149.13275	7.4
151.11284	3.4
155.10667	3.1
157.10205	4.1
157.12245	3.7
159.11717	7.5
161.13261	9.1
163.11246	3.0
163.14799	4.7
164.46758	2.4
165.12735	3.0
169.09981	3.0
173.13278	7.0
175.14856	3.2
185.13303	3.4
223.16988	4.4
243.21066	8.3
259.20538	4.9
261.22110	29.5
279.23184	77.2
297.24268	24.0
301.21750	4.0
330.21249	3.0
381.31384	3.0
399.32471	11.1
417.33792	31.9
435.34644	31.9
453.35678	11.2
489.28043	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	489.2276
Annotation	Fruticolide (sesquiterpene dimer)
Peak:m/z	Relative Intensity
53.03953	2.7
55.01863	4.0
55.05504	4.4
67.05513	13.5
69.03432	5.3
69.07063	4.0
71.55974	3.4
79.05508	13.0
80.19206	1.7
81.07077	12.0
83.04972	1.9
91.05487	21.6
93.07049	13.9
95.04984	7.8
95.08630	5.1
97.06555	2.6
103.05489	4.2
105.07042	23.1
107.04964	4.6
107.08608	5.8
109.02882	2.0
109.06552	2.0
109.10173	3.5
109.38438	1.5
115.05471	6.8
116.06250	2.3
117.07030	13.1
119.04941	3.9
119.08587	12.0
121.06518	7.4
121.10163	3.5
126.95312	1.5
128.06232	14.5
129.07031	20.1
130.07794	2.2
131.04953	3.4
131.08592	16.5
133.06485	3.9
133.10123	5.0
135.08067	5.0
135.11742	2.1
141.06987	21.8
142.07811	10.2
143.08566	28.4
145.06497	9.8
145.10101	10.5
147.08029	8.8
147.11670	2.5
151.07568	2.5
152.06235	3.9
153.07005	14.0
154.07791	13.0
155.08566	22.3
156.09361	7.4
157.06509	5.8
157.10130	16.3
158.07315	4.1
159.08069	11.6
159.11702	9.1
160.08841	2.5
161.06062	2.5
161.09656	3.8
161.13284	1.9
165.07010	15.5
166.07803	10.0
167.08575	14.3
168.09377	11.3
169.06511	6.5
169.10149	23.8
170.07344	4.9
171.08089	19.5
171.11668	10.0
172.08829	2.4
173.05965	3.1
173.09625	15.1
173.13286	3.3
175.07532	2.5
175.11288	2.1
178.07776	7.8
179.08562	11.6
180.09344	3.3
181.06480	6.2
181.10136	18.0
182.07315	5.3
182.10820	1.9
183.08080	12.3
183.11707	17.9
184.08844	9.3
185.09660	19.7
185.13249	2.9
186.10396	1.9
187.07591	3.0
187.11217	7.5
189.09082	1.9
190.07785	3.3
191.08539	3.3
192.09294	2.1
193.10149	17.9
194.07355	2.0
195.08115	7.0
195.11755	5.7
196.08865	6.4
197.09631	22.8
199.07584	4.8
199.11195	30.7
201.09105	3.4
201.12845	5.0
203.08653	2.4
205.10159	4.2
207.08069	3.1
207.11885	1.7
208.08754	2.5
209.09564	11.1
210.10432	2.9
211.07594	3.1
211.11194	34.7
212.11894	1.7
213.09175	6.1
213.12788	4.3
215.08888	1.8
215.10693	9.2
217.10173	2.6
220.08926	1.7
221.09663	8.5
223.07672	2.8
223.11147	9.5
225.09148	11.5
225.12743	3.8
227.10666	41.4
229.10382	1.8
229.12221	8.1
231.10159	2.2
233.09555	2.2
235.11127	3.2
237.09160	2.6
237.12770	2.1
239.10690	36.0
241.12212	9.3
243.10255	6.9
245.11723	39.9
249.12828	1.9
251.10707	4.2
253.12471	2.9
257.11713	25.9
259.13358	5.1
263.10843	1.7
269.11700	10.5
273.12793	2.2
291.13797	3.1
301.15741	1.9
337.14426	2.6
379.20831	2.4
389.18997	2.5
397.21967	3.0
407.20178	9.3
425.21188	21.5
435.19449	9.8
443.22198	27.3
447.22296	1.8
453.20663	27.9
471.21729	46.7
472.21475	2.5
489.22766	100.0
489.35666	6.3
490.23254	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	489.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01888	5.6
59.26095	3.2
64.66702	3.0
67.05503	12.3
69.03432	5.8
71.55750	4.6
72.60312	3.3
79.05498	17.8
81.07047	18.3
84.33033	3.3
91.05498	29.3
93.07056	14.4
95.04974	12.3
95.08623	6.8
103.05434	4.8
105.07050	48.1
107.04951	6.5
107.08609	11.1
109.06544	5.1
111.94951	3.4
115.05469	11.0
117.06313	3.5
117.07011	19.5
119.04951	6.8
119.08598	18.2
121.06509	14.4
121.10098	3.9
128.06213	21.8
129.07024	31.2
131.04959	7.9
131.08589	21.9
131.17784	3.2
133.06502	13.5
133.10165	6.5
135.08066	9.2
141.06985	22.0
142.07779	19.9
143.04959	4.4
143.08580	47.5
145.06499	12.6
145.10117	19.6
147.08107	12.6
149.06006	4.4
151.07600	18.4
152.06198	4.5
153.07005	13.2
154.07774	9.4
155.08562	39.2
156.09416	16.0
157.06468	8.1
157.10117	20.9
158.07365	3.6
159.08078	13.4
159.11661	7.6
160.08763	4.7
161.09636	4.9
161.13226	5.9
165.06996	29.5
166.07834	28.3
167.08542	9.5
168.09358	11.6
169.06534	7.8
169.10143	21.4
170.07277	5.5
171.08090	17.0
171.11711	35.2
173.09636	15.7
175.07784	4.2
178.07843	9.2
179.08601	13.3
180.09354	6.5
181.10143	89.0
182.07323	5.9
182.10728	3.5
183.08128	9.6
183.11746	16.9
184.08890	14.4
185.09642	16.5
187.11211	4.3
189.09056	4.1
190.07727	4.7
191.08647	5.8
192.09448	6.7
193.10135	19.5
194.10846	4.0
195.08020	9.7
195.11743	7.9
197.09631	12.5
199.11200	70.3
201.09000	6.2
201.12953	4.0
204.09360	4.8
205.10197	10.9
207.08209	5.3
207.11719	14.5
209.09607	20.6
211.07614	4.4
211.11143	25.8
213.09195	12.6
213.12431	3.7
215.10692	5.7
216.09192	3.5
217.10278	5.4
217.12279	12.2
219.11765	3.9
221.09680	7.0
223.11189	4.6
225.09138	6.1
227.10701	58.9
229.10219	4.4
232.09059	4.5
235.11185	8.6
239.10707	14.8
241.12292	4.8
243.10161	8.1
244.12578	4.0
245.11737	100.0
251.10670	12.5
253.12271	53.8
257.11716	17.2
269.11646	20.1
277.12216	4.7
279.14157	4.0
329.15146	3.8
337.14478	5.0
341.14984	4.2
345.15042	5.0
365.93219	3.8
379.20621	4.8
397.21890	5.3
399.19693	5.1
407.20023	16.7
407.62030	3.8
425.21143	48.8
435.19739	8.6
443.22372	21.7
453.20538	32.9
471.21786	44.5
489.22754	53.0
489.35321	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01863	4.0
55.05504	4.4
67.05513	13.5
69.03432	5.3
69.07063	4.0
71.55974	3.4
79.05508	13.0
80.19206	1.7
81.07077	12.0
83.04972	1.9
91.05487	21.6
93.07049	13.9
95.04984	7.8
95.08630	5.1
97.06555	2.6
103.05489	4.2
105.07042	23.1
107.04964	4.6
107.08608	5.8
109.02882	2.0
109.06552	2.0
109.10173	3.5
109.38438	1.5
115.05471	6.8
116.06250	2.3
117.07030	13.1
119.04941	3.9
119.08587	12.0
121.06518	7.4
121.10163	3.5
126.95312	1.5
128.06232	14.5
129.07031	20.1
130.07794	2.2
131.04953	3.4
131.08592	16.5
133.06485	3.9
133.10123	5.0
135.08067	5.0
135.11742	2.1
141.06987	21.8
142.07811	10.2
143.08566	28.4
145.06497	9.8
145.10101	10.5
147.08029	8.8
147.11670	2.5
151.07568	2.5
152.06235	3.9
153.07005	14.0
154.07791	13.0
155.08566	22.3
156.09361	7.4
157.06509	5.8
157.10130	16.3
158.07315	4.1
159.08069	11.6
159.11702	9.1
160.08841	2.5
161.06062	2.5
161.09656	3.8
161.13284	1.9
165.07010	15.5
166.07803	10.0
167.08575	14.3
168.09377	11.3
169.06511	6.5
169.10149	23.8
170.07344	4.9
171.08089	19.5
171.11668	10.0
172.08829	2.4
173.05965	3.1
173.09625	15.1
173.13286	3.3
175.07532	2.5
175.11288	2.1
178.07776	7.8
179.08562	11.6
180.09344	3.3
181.06480	6.2
181.10136	18.0
182.07315	5.3
182.10820	1.9
183.08080	12.3
183.11707	17.9
184.08844	9.3
185.09660	19.7
185.13249	2.9
186.10396	1.9
187.07591	3.0
187.11217	7.5
189.09082	1.9
190.07785	3.3
191.08539	3.3
192.09294	2.1
193.10149	17.9
194.07355	2.0
195.08115	7.0
195.11755	5.7
196.08865	6.4
197.09631	22.8
199.07584	4.8
199.11195	30.7
201.09105	3.4
201.12845	5.0
203.08653	2.4
205.10159	4.2
207.08069	3.1
207.11885	1.7
208.08754	2.5
209.09564	11.1
210.10432	2.9
211.07594	3.1
211.11194	34.7
212.11894	1.7
213.09175	6.1
213.12788	4.3
215.08888	1.8
215.10693	9.2
217.10173	2.6
220.08926	1.7
221.09663	8.5
223.07672	2.8
223.11147	9.5
225.09148	11.5
225.12743	3.8
227.10666	41.4
229.10382	1.8
229.12221	8.1
231.10159	2.2
233.09555	2.2
235.11127	3.2
237.09160	2.6
237.12770	2.1
239.10690	36.0
241.12212	9.3
243.10255	6.9
245.11723	39.9
249.12828	1.9
251.10707	4.2
253.12471	2.9
257.11713	25.9
259.13358	5.1
263.10843	1.7
269.11700	10.5
273.12793	2.2
291.13797	3.1
301.15741	1.9
337.14426	2.6
379.20831	2.4
389.18997	2.5
397.21967	3.0
407.20178	9.3
425.21188	21.5
435.19449	9.8
443.22198	27.3
447.22296	1.8
453.20663	27.9
471.21729	46.7
472.21475	2.5
489.22766	100.0
489.35666	6.3
490.23254	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	488.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01855	0.5
55.05522	0.6
57.03434	0.7
58.58545	0.4
65.03948	0.6
66.04733	0.5
67.05492	0.9
69.07072	0.5
69.82060	2.5
70.06597	0.5
72.08128	0.4
79.05492	3.6
81.07063	1.2
91.05497	3.6
93.07024	0.9
95.04982	1.1
95.08617	0.5
98.87280	0.4
103.05478	5.7
104.06249	0.6
105.06394	0.8
105.07047	13.2
106.07439	0.5
107.04955	2.7
107.08611	1.1
108.05787	0.5
109.02878	1.5
109.06532	1.5
109.10184	0.6
110.57834	0.5
115.05423	1.3
117.06999	0.9
118.04172	13.5
119.04949	1.7
119.08597	1.1
120.05732	1.4
121.06557	2.6
122.03669	0.6
122.07318	1.3
123.04444	0.5
124.05239	6.6
131.04926	1.2
131.08612	0.9
132.05688	0.5
133.06511	18.5
134.07275	1.8
135.04436	1.9
135.08044	3.7
136.06360	0.4
137.05986	2.2
143.08499	0.5
147.04424	1.8
149.05994	0.6
149.09673	0.7
150.06767	7.1
151.07587	2.9
157.10136	0.6
159.08110	0.6
161.05980	4.3
162.06816	0.4
163.07584	2.6
165.09131	12.9
167.07198	0.6
167.08577	0.5
170.23102	0.4
173.09656	0.5
175.07466	0.7
176.48927	0.5
177.05473	0.5
181.04965	0.5
185.09715	0.6
193.08629	100.0
194.09021	1.0
197.09404	0.4
207.41194	0.4
357.17123	0.5
366.62225	0.4
428.95105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78990	1.8
55.01378	2.0
55.01863	2.7
55.05493	3.8
61.08615	2.1
64.07784	1.9
67.05517	4.4
69.03418	8.5
69.37671	14.9
69.69221	2.1
79.05493	6.0
81.07052	4.4
91.05482	13.7
93.07048	6.2
95.04971	3.9
95.08613	3.6
103.05466	3.7
105.07031	16.9
107.04961	2.8
107.08585	3.5
109.06517	3.3
115.05454	3.8
117.06994	9.8
119.08571	9.8
121.06517	8.1
128.06248	8.5
129.07027	13.7
129.07861	2.8
130.07841	2.5
131.08582	10.6
133.06500	5.7
133.10121	2.5
135.08032	9.9
141.06976	11.4
142.07785	6.6
143.08542	20.7
145.06462	8.7
145.10127	8.0
147.08037	21.0
149.05975	6.9
153.07028	8.0
154.07771	6.1
155.08595	14.7
156.09319	6.0
157.06546	5.4
157.10123	14.0
158.07266	7.4
159.08047	9.5
159.11682	5.3
160.08838	2.6
161.09607	4.7
164.58794	2.0
165.06981	12.8
166.07800	6.2
167.08566	9.5
168.09366	4.2
169.06526	5.8
169.10164	15.4
170.07231	4.6
171.08078	26.8
171.11711	9.5
172.08852	4.2
173.09662	11.0
175.07571	3.7
178.07768	5.4
179.08591	6.0
180.09314	6.5
181.06487	9.0
181.10135	12.8
182.07285	7.3
183.08038	12.0
183.11725	6.0
184.08847	11.8
185.09592	24.1
185.13232	3.9
187.11191	11.6
189.12769	2.5
190.07782	2.5
193.10153	7.1
194.07256	2.7
195.08096	13.6
195.11696	8.1
196.08775	7.6
197.09618	40.0
198.10411	4.2
199.11191	25.7
201.09160	2.4
203.10680	2.8
205.10234	5.1
208.08827	11.2
209.09618	13.0
211.11186	29.0
213.09094	5.8
213.12782	15.8
215.10703	5.7
221.09668	5.7
223.11168	22.5
225.09088	3.9
225.12729	4.1
227.10674	17.2
229.12216	4.5
239.10747	12.6
241.12204	14.4
243.10133	21.6
243.13884	2.9
245.11740	74.4
257.11819	10.7
259.13312	100.0
263.14282	2.7
267.10034	2.1
269.11749	7.4
361.85574	2.5
397.21811	3.2
407.20352	3.8
425.21365	10.4
443.22162	73.1
444.22290	4.2
453.20084	3.4
471.21884	4.7
489.22736	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	488.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.59595	0.4
55.01851	0.5
56.37439	0.4
57.03436	1.0
59.72703	0.4
66.58655	0.4
67.05508	0.8
69.03412	0.7
71.46816	0.9
75.04508	0.6
79.05508	4.6
81.07069	1.0
90.04691	0.5
91.05486	3.6
92.06274	0.5
93.07039	0.9
95.04957	1.2
95.08642	0.4
103.05473	6.3
104.06267	0.7
105.07040	14.5
107.04975	2.7
107.08573	0.5
109.02886	1.4
109.06522	1.1
115.05473	1.3
117.07065	0.6
118.04168	13.7
119.04961	1.5
119.08507	0.5
120.05721	1.0
121.06510	2.1
122.07327	1.0
124.05205	5.9
124.46062	0.4
128.06209	0.4
131.04916	1.5
133.06506	19.7
134.07289	1.8
135.04376	1.5
135.08058	3.7
137.05977	2.0
143.08632	0.5
147.04411	1.9
149.06024	0.6
150.06770	7.0
151.07568	2.8
161.06052	3.6
163.07532	3.0
165.09135	12.7
169.10225	0.5
175.07547	0.9
193.08623	100.0
194.08969	1.4
218.68742	0.4
223.23135	0.4
229.12009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
55.93224	0.4
57.07085	0.6
57.81585	0.4
59.99529	0.4
67.05503	1.2
69.07072	0.6
71.56084	0.9
79.05482	0.7
81.07063	2.3
87.04472	1.5
91.05512	1.4
93.07050	2.2
95.08604	2.2
105.07041	3.0
107.08611	1.2
117.07045	0.4
119.08590	1.5
121.10104	0.5
122.92346	0.5
129.07024	0.6
131.08565	1.1
133.10164	1.4
135.11664	0.6
142.07764	0.7
143.08557	1.7
145.10075	0.7
147.11655	0.5
155.08658	0.5
157.10161	1.7
159.11687	1.1
161.13306	0.9
213.46211	0.5
253.12019	1.8
255.13559	1.8
257.15137	1.9
265.16440	0.5
269.11594	1.2
271.13065	9.3
334.10938	0.5
363.54773	0.5
399.28235	0.5
487.28238	100.0
488.28683	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
53.18192	1.2
55.05507	6.0
57.07089	1.5
63.44970	1.4
65.03936	1.8
67.05511	11.8
69.03440	1.3
69.07076	6.9
69.65092	2.6
69.65502	6.0
71.05000	1.7
74.09711	1.7
78.78222	1.6
79.05485	8.0
81.07070	19.6
83.04990	1.9
83.08617	3.7
85.06571	1.7
91.05487	15.9
93.07056	15.5
95.04963	3.7
95.08611	22.7
97.06533	3.4
97.10193	3.4
98.20776	1.6
103.05494	2.1
105.07038	48.2
107.08609	16.4
109.06494	1.8
109.10154	19.7
111.08101	1.9
115.05511	1.5
117.07053	5.4
119.08590	38.7
121.06506	2.9
121.10159	18.7
123.11703	9.6
129.07019	3.6
131.08621	12.1
133.10146	18.6
135.08069	2.0
135.11668	3.8
137.09663	2.1
141.07033	1.7
142.07845	2.9
143.08592	8.3
145.10143	32.1
147.11702	61.2
149.13271	9.0
151.11169	1.4
153.05508	1.4
155.08554	2.3
157.10167	5.5
159.08064	1.8
159.11696	9.4
161.09662	2.3
161.13289	15.7
163.11174	5.0
163.14764	1.9
165.12796	2.9
167.07028	2.6
169.10083	2.4
169.32880	1.3
171.11736	5.6
173.09644	7.3
175.07549	2.5
175.11235	2.7
175.14827	3.0
181.05014	3.6
183.11726	2.2
185.13281	15.4
187.11211	3.1
187.14891	5.3
189.12772	4.2
191.10663	6.4
195.11732	5.1
197.13324	2.4
201.16350	3.1
203.14349	5.2
203.17976	56.8
213.12790	2.7
215.14386	4.3
221.19066	15.3
231.13831	10.4
233.15392	1.6
249.14876	41.8
267.15939	100.0
268.16248	2.0
487.27179	1.7
487.34656	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	487.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01867	3.5
55.05494	1.7
56.05004	1.2
67.05506	3.0
69.03421	4.0
71.04990	1.0
71.56255	1.1
79.05498	6.5
81.03429	2.4
81.07065	7.2
83.04956	1.9
91.05480	10.2
93.07041	6.5
95.04970	3.4
95.08627	3.7
103.05470	3.3
105.07039	14.4
107.04961	2.0
107.08604	2.5
109.06520	1.6
109.10188	1.8
111.04456	0.9
115.05469	3.8
116.06268	1.4
117.07031	7.6
119.04919	1.2
119.08572	6.3
121.06559	2.8
121.10139	1.8
123.11670	1.2
128.06233	4.7
129.07008	9.7
131.04947	2.5
131.08565	9.5
133.06523	3.6
133.10141	3.1
135.08081	2.8
137.05989	1.5
141.06990	8.2
141.34732	1.0
142.07782	7.0
143.08560	8.1
145.02821	1.6
145.06499	11.6
145.10153	6.0
146.07239	1.1
147.04419	3.2
147.08037	4.7
147.11682	3.0
149.06082	2.0
151.07529	1.6
152.06180	2.7
153.07021	6.2
154.07771	5.5
155.08572	13.0
156.09271	1.5
157.06523	4.9
157.10124	10.5
158.07265	2.0
159.04469	1.5
159.08080	10.9
159.11708	4.3
161.06018	1.3
161.09628	3.3
163.07582	2.0
165.07005	13.7
166.07800	10.6
167.08603	11.8
168.05690	1.5
168.09366	2.7
169.06474	5.6
169.10114	9.5
170.07324	4.6
170.41223	1.0
171.08110	9.5
171.11664	2.5
172.08835	1.8
173.06009	2.4
173.09634	4.2
173.13399	1.2
175.07524	1.9
177.05504	3.9
178.07787	6.6
179.08495	6.4
180.09364	1.8
181.06544	4.2
181.10120	14.4
182.07303	4.2
182.10660	1.2
183.08055	20.1
183.11681	5.6
184.08832	4.4
185.06041	1.5
185.09631	19.1
187.07581	2.5
187.11229	3.1
190.07854	1.4
191.08597	3.4
193.06526	1.4
193.08600	3.3
193.10173	4.9
194.07275	6.7
195.08054	9.7
195.11707	2.3
196.08881	3.9
197.06000	1.8
197.09641	15.4
197.13266	1.1
198.10202	1.2
199.07672	1.7
199.11255	4.4
201.09213	2.2
205.06714	1.1
206.07335	1.3
207.08121	2.6
207.11742	1.2
209.09628	43.2
210.10196	2.0
211.07584	2.9
211.11200	13.1
212.97548	1.0
213.09090	8.7
213.12802	1.7
215.08928	1.4
215.10674	6.4
218.11060	1.2
219.08096	2.9
220.08858	1.8
221.09656	4.8
222.06841	1.2
223.07523	1.5
223.11244	2.1
224.08321	1.8
225.09117	6.6
226.09837	1.0
227.10672	8.7
229.08611	2.4
229.12268	1.9
231.10229	3.0
232.08833	2.1
233.09714	2.3
233.11696	1.4
234.10255	1.5
235.07564	1.5
235.11247	2.9
237.09126	13.4
237.12817	1.2
239.10622	5.2
241.08710	3.4
241.12318	1.9
243.10147	15.5
243.12157	1.3
245.09703	1.9
246.10471	2.6
247.11136	1.6
249.09203	1.2
249.12767	1.3
251.10822	1.6
255.10126	9.6
257.11768	8.9
259.09415	7.3
261.09076	1.4
261.12869	1.6
267.10083	2.0
269.11816	2.3
271.11249	3.1
273.09210	1.4
273.12701	1.6
274.09888	1.4
275.10660	1.3
285.12820	1.6
287.10794	1.1
289.12280	2.9
295.11200	1.3
297.12689	1.4
299.10724	1.5
299.14291	2.1
301.12317	1.8
309.12610	1.3
311.14371	1.9
325.12198	1.3
335.13559	1.7
339.13907	2.7
343.13000	1.3
351.13641	1.2
357.15039	1.9
359.16550	2.2
369.18484	2.4
375.15942	1.6
395.20340	3.0
397.17987	1.6
405.18475	4.2
408.17117	1.2
409.18164	1.2
415.18927	2.0
423.19553	13.2
424.19443	1.3
433.18210	1.4
441.20667	23.8
451.19156	9.2
459.21524	1.5
469.20126	13.6
469.32336	1.1
487.21204	100.0
488.21463	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01871	2.5
55.05518	2.4
60.21893	1.4
65.03932	1.5
67.05505	5.2
69.03419	3.7
69.07080	2.3
79.05500	6.0
81.03437	2.3
81.07054	9.1
83.04976	2.5
91.05485	10.7
93.07051	10.1
95.04972	4.2
95.08615	5.6
103.05481	2.5
105.07035	15.3
107.04938	2.5
107.08602	6.3
109.02924	2.1
109.06532	3.1
109.10130	2.2
111.16040	1.7
111.58706	1.4
115.05462	3.1
117.07030	5.4
119.04961	2.2
119.08596	9.7
121.06513	4.4
121.10133	2.9
123.11690	1.6
128.06235	6.2
129.06998	10.0
131.08617	10.4
131.09525	1.8
133.06508	1.9
133.10143	5.4
135.08069	4.2
135.11746	1.7
137.06001	3.1
137.09546	2.7
141.06981	6.1
142.07799	6.2
143.08566	8.5
145.06526	8.1
145.10156	7.4
147.04439	5.2
147.08052	3.5
147.11685	3.6
151.07590	2.0
152.06245	3.7
153.07001	4.7
154.07788	4.3
155.04895	2.2
155.08563	10.3
156.09383	2.0
157.06520	3.0
157.10146	11.6
158.07234	2.5
159.08020	8.9
159.11713	5.3
161.13315	1.7
163.07538	2.8
165.05713	1.7
165.06989	8.6
166.07838	8.3
167.08569	9.7
168.09259	3.8
169.06529	3.7
169.10158	10.5
170.07259	3.3
171.08090	7.0
171.11786	3.0
173.09718	2.9
173.13332	1.8
175.07562	2.1
177.05438	2.4
178.07820	3.4
179.08539	4.7
181.06529	3.1
181.10132	9.4
182.07315	4.9
183.08058	11.2
183.11720	4.6
184.08882	2.7
185.09641	14.5
185.13286	2.5
187.11183	1.8
193.10164	4.8
194.07318	4.6
195.08026	7.1
196.08875	3.2
197.05885	2.5
197.09624	9.5
199.07426	2.0
199.11224	5.0
201.09161	2.2
201.12749	1.8
203.10696	2.1
209.09659	27.8
211.11163	7.9
213.09073	8.9
215.10678	2.2
217.10257	2.1
217.12285	1.6
219.11623	1.9
221.09593	4.1
223.07472	2.5
223.11281	3.0
224.53314	1.5
225.09134	5.9
227.10701	6.4
229.12340	2.2
231.10098	3.6
237.09117	8.0
239.10738	3.9
241.08701	4.4
243.10085	8.2
245.11841	2.2
245.81906	1.5
249.03723	1.6
255.09991	7.0
257.11856	3.1
259.09726	4.8
261.09198	2.5
269.11627	2.0
283.09711	2.4
287.10828	1.6
289.12198	2.8
296.11899	1.8
335.12885	2.1
343.13260	1.5
361.14737	3.0
395.20346	2.0
397.18097	2.3
405.18549	3.3
413.13443	2.3
413.21500	1.7
415.18546	2.4
423.19571	9.0
433.17841	2.6
441.20789	13.5
451.19211	7.8
459.21765	2.6
469.20099	12.5
487.21194	100.0
488.21335	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.4
57.23945	0.4
58.06585	0.5
59.06112	1.7
61.49870	0.4
67.69450	0.5
69.07047	1.0
79.05463	0.5
81.07061	1.6
91.05489	0.8
93.07035	1.4
95.08598	1.1
105.07021	1.4
107.08595	1.1
109.06522	0.5
109.10168	1.2
116.73363	0.4
117.07072	0.5
119.08593	1.1
121.10189	0.5
123.11671	0.5
131.08560	1.1
133.10138	0.9
142.07802	0.4
143.08578	0.6
145.10120	1.0
146.20459	0.5
147.11626	1.1
148.91939	0.4
149.13223	0.5
157.10141	1.0
159.11775	0.9
161.13356	0.6
173.13391	0.4
177.09149	0.4
191.29509	0.5
201.20744	0.4
229.50621	0.6
255.13562	0.5
269.11496	6.8
372.61749	0.6
485.26639	100.0
486.26932	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2879
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05498	5.6
57.02138	1.9
57.03427	6.2
57.07080	27.3
63.51593	1.5
67.05506	10.1
68.85486	1.6
69.07080	8.3
71.04971	2.0
71.08640	17.8
71.11550	3.9
79.05496	8.6
81.07063	20.0
83.04956	2.1
83.08613	6.6
85.10181	8.0
87.04460	2.7
91.05499	8.9
93.07068	9.2
95.04960	3.5
95.08612	17.4
97.06524	2.6
97.10173	4.1
98.98472	27.4
105.07040	20.2
107.08605	7.6
109.10158	11.9
117.07037	3.2
118.80588	1.6
119.08595	10.6
121.10123	5.0
123.08057	1.6
123.11657	2.3
128.06216	1.7
131.08589	4.5
133.10141	14.4
135.11725	4.3
143.08554	3.6
145.10170	7.6
146.10326	2.0
147.11664	5.8
155.01054	12.1
157.10152	4.7
159.08020	3.1
159.11729	10.4
161.13242	5.1
163.14832	2.0
169.10143	2.8
171.11734	2.4
173.02155	2.1
173.09721	2.0
173.13367	2.2
175.14728	1.6
185.13298	2.4
187.11191	2.9
201.16373	4.6
203.17969	5.4
209.13182	1.7
209.34628	1.6
212.71378	1.7
229.12346	1.6
242.53387	1.7
269.18677	1.6
313.27390	100.0
313.43521	1.9
314.27649	1.8
449.26614	5.3
467.31592	2.6
473.38327	1.9
485.26566	9.2
485.33057	2.7
504.55389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01864	13.1
55.05513	29.3
57.03429	8.4
57.07078	11.8
61.64857	2.9
65.03935	4.1
67.05508	91.7
69.03432	45.8
69.07071	31.7
69.82419	16.4
71.01366	4.6
71.04987	3.8
71.08631	8.7
79.05496	41.4
81.03423	28.9
81.07059	100.0
83.04981	25.8
83.08618	17.7
85.02902	21.4
85.06541	7.1
85.10214	6.9
87.04478	3.8
91.05485	28.6
93.07051	45.2
95.04989	19.7
95.08609	79.2
97.02894	48.1
97.06535	9.9
97.10169	10.9
99.04452	8.4
99.08080	7.0
101.02360	3.2
103.03947	3.7
105.07032	24.9
107.04971	9.3
107.08589	25.2
109.02863	20.0
109.06533	5.7
109.10153	36.7
111.04450	26.1
111.08073	4.5
111.11741	3.5
112.39832	2.6
113.09628	6.3
115.03978	3.5
117.07029	8.6
119.08604	23.1
121.06492	5.5
121.10162	22.7
123.04456	15.5
123.08063	3.8
123.11709	17.4
127.03912	24.7
129.06999	5.4
131.08572	14.4
133.10146	25.9
135.04424	6.5
135.08072	4.7
135.11687	13.1
137.13229	6.3
139.03926	23.5
139.11174	6.3
141.05432	7.2
141.07004	3.6
143.08554	9.2
145.06305	3.1
145.10103	13.0
147.11685	15.2
149.09637	5.7
149.13268	13.2
151.03935	12.5
151.14790	3.6
153.05493	7.9
157.04938	6.7
157.10170	7.4
159.11726	13.6
161.13264	9.9
163.14839	6.6
165.12788	5.4
167.14293	4.5
169.04997	19.2
171.06548	6.8
171.07957	3.5
171.11751	4.0
173.13330	3.9
175.05959	3.2
175.11122	4.1
175.14816	5.3
175.33653	3.2
177.12747	4.8
179.14203	3.2
187.05951	3.7
187.14880	3.8
189.16621	3.1
191.14371	2.8
201.16426	8.0
203.18016	3.6
215.14380	4.7
217.15819	3.1
219.17407	6.1
226.99751	2.8
243.21022	4.7
245.22707	5.6
251.23737	3.2
261.22116	10.3
263.23685	9.9
279.23215	41.7
297.24124	3.8
303.22424	2.8
329.85950	3.2
333.24182	5.8
382.57300	3.7
413.27124	5.0
431.28174	5.2
449.28888	6.9
467.30493	10.9
485.31790	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	484.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58434	2.8
55.05509	3.4
57.07076	17.1
64.13104	3.3
67.05491	8.4
69.07072	8.2
69.21655	2.6
70.06586	12.9
71.08624	5.7
71.56918	4.5
79.05489	3.3
81.07063	9.8
82.62799	2.7
83.08643	4.7
85.10165	3.4
88.07644	21.6
89.06039	3.5
91.05504	4.2
93.07044	10.4
95.08605	11.4
102.09171	12.8
105.07029	17.8
107.08601	13.4
109.10172	9.8
119.08575	11.5
123.11703	3.7
129.07072	3.2
131.08524	3.5
133.10147	7.1
135.11682	3.3
147.11679	10.3
151.34595	3.0
155.08466	3.5
156.26639	3.3
157.10114	6.8
159.11700	4.9
161.13229	5.8
163.14828	5.6
168.09323	4.4
173.13274	5.0
183.11749	10.4
200.20111	20.4
201.12782	4.4
203.17943	17.2
211.11220	8.7
221.19064	5.4
228.23201	26.9
229.12274	7.2
247.13396	19.6
283.26306	23.3
311.29507	16.9
484.40207	4.7
484.47284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
53.88490	4.8
55.05505	10.6
57.07054	6.2
58.37297	4.1
59.04984	9.2
64.42986	4.0
67.05511	28.0
69.03419	5.9
69.07054	15.8
71.04956	5.4
78.55190	5.1
79.05495	22.5
81.07068	49.3
83.04957	7.7
83.08610	5.9
85.06551	5.3
91.05495	41.1
91.88831	4.1
93.07034	40.8
95.04966	22.0
95.08609	37.5
96.10480	4.1
97.06554	6.9
105.07027	70.1
107.04996	4.9
107.08600	48.0
108.08930	5.8
109.06492	6.9
109.10159	23.7
111.08038	5.3
112.02562	4.7
115.05492	4.8
117.07027	21.7
119.08583	54.7
121.06496	7.1
121.10133	30.6
123.11697	9.4
129.06989	18.5
131.08588	46.0
133.10139	31.2
134.10478	5.9
135.08066	5.8
135.11681	15.2
141.07002	8.9
142.07787	21.0
143.08519	29.0
145.06467	8.1
145.10124	57.1
146.10609	5.1
147.08035	7.7
147.11658	23.3
153.16866	4.9
155.08565	17.5
157.10144	38.6
159.07990	4.8
159.11711	65.8
160.12059	7.0
161.13297	22.5
162.13510	5.2
162.90790	5.1
163.11208	6.8
168.09338	16.4
169.10141	14.7
171.11740	7.7
173.13252	17.6
175.14862	8.4
177.12778	6.2
181.10071	13.3
183.11705	39.0
185.13254	19.8
187.11185	5.0
187.14687	8.0
189.16298	7.3
193.10106	10.3
195.11783	6.7
197.13216	4.9
199.14703	6.9
201.12711	13.7
201.16383	100.0
202.16660	5.7
203.17947	36.0
211.11211	17.8
219.17505	28.3
229.12228	28.6
230.12634	4.6
231.13838	8.6
247.13342	8.4
313.27322	5.9
374.05869	5.8
420.48700	4.8
431.29358	21.2
438.30649	6.3
449.30527	9.1
484.30981	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	484.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.5
55.01880	1.7
57.03443	24.0
61.02934	10.1
61.59544	1.7
67.07599	1.6
68.09604	1.8
69.03437	36.2
69.80798	1.8
70.10574	3.9
70.10978	5.6
71.01364	1.9
71.04990	2.7
73.02921	48.3
74.38401	2.0
76.54857	1.8
79.05501	2.5
81.03413	7.4
81.07076	4.0
85.02911	100.0
87.04470	2.7
88.73030	1.6
91.03976	2.2
93.07035	2.4
94.33424	1.6
95.08607	2.8
97.02905	51.6
99.04491	4.5
105.07039	4.5
107.08607	1.9
109.02912	8.7
115.03934	30.9
119.08559	2.9
120.08836	1.6
121.06526	2.1
127.03922	30.4
131.08574	1.7
133.04968	9.3
145.04961	45.5
145.10258	2.1
146.10498	2.4
150.07590	1.6
158.90649	1.7
159.11732	1.6
161.09631	2.3
163.06026	24.0
223.05998	4.2
241.07080	5.4
259.08203	4.3
280.43793	1.8
306.18939	1.7
449.71033	1.9
484.31024	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	484.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.5
57.07080	16.2
64.06598	6.7
67.05505	30.2
69.07066	25.3
69.64896	41.2
71.04999	10.8
79.05484	40.6
79.78624	6.9
81.07062	80.1
83.08613	10.8
85.06526	7.4
91.05482	45.8
93.07045	43.0
95.04949	14.1
95.08611	57.8
96.08941	7.7
97.10217	6.1
100.29967	6.1
105.07031	80.8
106.07326	7.8
107.08594	54.1
109.06501	7.9
109.10139	49.7
117.07015	29.6
119.08588	96.9
121.10138	44.6
123.11709	18.6
128.06271	7.3
129.06990	21.8
129.07912	6.8
131.08578	36.5
133.10120	36.9
134.35223	6.7
135.08069	13.2
135.11707	17.5
142.07794	13.4
143.08560	22.2
145.10123	54.4
146.10526	9.9
147.11694	75.7
148.12064	11.7
149.13271	21.0
153.07045	7.4
155.08591	21.9
157.10127	62.8
159.08073	7.2
159.11696	87.5
160.12042	10.5
161.13332	34.4
161.14450	5.8
163.07549	10.1
167.08669	6.9
168.09358	9.1
169.10107	10.1
171.11659	17.9
173.13263	14.6
175.11240	12.1
181.10168	15.7
183.11678	33.9
185.09636	7.4
185.13193	16.3
187.14906	7.7
191.10695	8.5
193.10153	11.7
195.11618	15.7
197.13269	12.4
199.11287	8.3
201.12683	10.8
201.16386	21.8
202.16734	7.9
203.17958	100.0
205.12077	6.4
211.11200	14.7
215.18082	9.6
219.17487	11.3
221.13269	9.4
221.18857	11.8
229.12259	29.6
232.52856	6.7
245.11641	13.0
247.13376	14.8
255.17540	11.9
310.37167	7.1
339.19565	27.0
346.42709	6.9
403.30127	9.8
416.93594	6.9
431.29230	17.9
449.30444	78.2
467.32047	8.4
484.25284	25.5
484.31476	18.1
484.47284	9.8
485.26044	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23394	4.5
55.01875	5.8
55.05501	18.2
58.93358	3.8
59.01685	3.8
64.71075	4.0
64.71476	3.4
67.05500	34.5
69.07059	18.4
71.21759	8.2
74.16541	5.1
76.51714	4.4
79.05505	34.4
81.07058	54.8
83.04980	5.4
83.08576	4.4
85.06527	7.7
91.05485	41.6
93.07054	52.7
95.04399	4.8
95.04984	10.5
95.08610	49.7
97.06531	7.0
97.10183	4.2
99.08097	7.2
105.07036	84.2
107.04948	6.3
107.08606	62.0
109.06493	12.6
109.10168	23.9
111.08092	7.5
115.05485	5.7
117.07038	40.7
119.08582	65.0
121.06525	7.2
121.10144	42.1
122.56166	4.1
123.08074	5.9
123.11724	9.0
128.06238	8.0
128.19429	4.5
129.06998	17.3
131.08566	46.4
133.10147	34.0
135.08015	16.9
135.11642	25.7
139.11128	4.6
140.37273	5.0
141.06967	10.3
142.07817	10.4
143.08548	30.4
144.09283	7.6
145.06450	6.9
145.10121	65.1
146.10451	4.4
147.08038	9.9
147.11717	33.9
149.09566	6.7
149.13240	16.4
153.07025	5.1
155.08568	22.4
156.09294	6.6
157.10136	47.2
159.08020	10.8
159.11693	83.1
160.12148	4.0
161.05956	5.2
161.09624	8.0
161.13269	45.5
163.14836	6.7
167.08575	6.6
169.10149	28.9
171.08040	9.9
171.11681	25.5
173.09633	17.0
173.13266	23.2
175.11142	10.3
175.14923	7.9
177.12708	13.7
181.10085	15.1
182.10962	10.2
183.08073	4.7
183.11682	19.2
185.09731	6.6
185.13248	23.3
187.07420	6.2
187.11169	7.9
187.14818	12.8
189.09132	5.1
189.12740	5.6
189.16341	8.7
191.14204	4.7
193.10216	6.2
195.11696	13.9
197.09660	5.1
197.13182	25.9
199.11244	8.4
199.14818	15.8
201.16368	20.0
203.10725	5.9
203.18106	4.3
205.12289	5.3
208.08658	5.5
209.13255	12.5
211.11195	6.3
211.14893	7.3
213.12735	6.9
213.16447	6.5
215.14334	18.2
217.12221	8.5
217.15886	16.3
219.17299	9.5
221.13194	6.2
223.14806	19.1
225.16417	11.1
227.14323	6.3
229.12183	7.3
229.15819	6.8
231.13779	7.7
233.15376	10.9
241.15895	9.0
243.17636	4.2
245.15437	7.4
251.14391	7.4
255.17586	5.3
257.15256	5.9
261.16281	6.2
269.15430	19.8
271.16898	6.0
285.14987	5.0
287.16467	12.2
401.28348	12.8
409.11349	3.9
419.29434	25.9
429.28128	8.0
437.30545	44.2
447.29312	32.6
455.31503	4.7
465.30176	58.1
471.87900	4.4
483.31161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38485	3.3
53.03946	8.1
55.01872	11.1
55.05518	25.5
57.03445	5.1
57.07085	8.1
61.02943	5.9
65.03932	6.2
67.05173	7.7
67.05514	100.0
69.03434	38.2
69.07089	22.5
71.01362	10.2
71.05000	13.7
73.02937	4.4
79.05499	68.8
81.03419	23.9
81.07069	98.0
83.04996	20.3
83.08638	10.2
85.02916	14.9
85.06538	6.2
91.05483	43.6
93.03423	7.6
93.07060	93.3
95.04975	24.5
95.08619	79.1
97.02903	84.9
97.06561	9.4
97.10167	6.6
97.77911	3.7
98.20724	9.2
99.04449	12.4
103.03927	4.2
103.24090	3.8
105.07043	55.5
106.42590	3.9
107.04981	8.7
107.08609	54.1
109.02920	17.1
109.06564	6.9
109.10174	40.2
109.74238	3.3
111.04461	30.7
115.03949	6.6
117.07037	25.2
119.08596	37.7
121.06480	3.9
121.10145	48.4
123.04454	13.3
123.08167	3.6
123.11698	18.6
125.02412	6.8
127.03931	25.3
129.07025	9.7
130.07834	3.9
131.08588	37.9
133.06551	7.0
133.10130	35.4
135.11720	42.9
137.13274	8.7
139.03926	10.2
141.05495	6.4
141.07022	4.1
143.08603	13.3
145.10158	30.3
147.11700	29.4
149.09686	4.4
149.13292	21.1
151.03943	14.4
153.05539	5.6
153.12807	5.6
155.08595	6.7
157.10170	14.4
159.11716	36.1
161.13275	17.7
163.14873	14.3
169.04961	30.9
169.10143	8.6
171.11714	6.8
173.13309	23.9
175.11287	6.2
175.14839	6.7
177.16451	10.7
179.14345	5.4
183.11742	5.9
185.09639	4.4
185.13284	4.3
187.06084	5.0
187.14822	10.0
199.11136	4.3
199.14915	7.9
201.16420	9.0
203.17944	5.0
211.11172	4.8
213.12636	3.7
213.16472	4.9
219.17438	4.2
233.22720	5.8
241.19716	6.4
243.21097	27.4
259.20630	17.2
261.22174	90.6
277.21848	4.1
279.23239	16.8
297.49826	3.8
301.21533	4.2
305.36826	3.6
315.23309	10.1
327.23529	5.4
345.24387	5.7
351.25516	6.7
357.24307	4.6
369.24414	5.8
383.26065	5.2
393.24442	7.5
399.25266	3.9
411.25140	8.5
429.26401	13.7
447.27832	20.1
465.28845	21.4
476.42151	4.4
483.29834	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	483.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03735	1.4
53.03944	9.3
55.01663	1.2
55.01880	10.5
55.05513	12.6
57.03442	7.1
57.07072	1.7
59.05015	1.8
61.02930	6.0
65.03954	2.1
67.05511	45.5
69.03439	25.7
69.06741	2.0
69.07065	9.9
71.01350	3.6
71.02314	2.9
71.04991	6.1
73.02899	3.4
79.05502	30.2
81.03427	22.6
81.07065	49.4
83.01350	1.8
83.04994	12.5
83.08619	3.5
85.02914	32.4
87.04485	3.4
91.05492	20.8
93.03416	2.1
93.07055	44.0
95.01348	2.9
95.04996	11.7
95.08620	34.5
97.02905	43.8
97.10180	2.8
98.29932	1.4
99.04464	10.1
99.08138	1.8
103.03951	5.8
105.07047	16.5
107.04964	1.9
107.08598	27.1
109.02891	32.3
109.06491	1.9
109.10159	19.7
111.00805	3.4
111.04462	13.3
113.02375	3.8
115.03922	2.6
117.07033	8.8
119.08593	14.3
121.10165	19.0
123.04427	12.1
123.08133	2.1
123.11705	7.2
125.02385	3.1
127.03926	100.0
129.07011	4.2
131.08566	18.3
133.10133	14.6
135.05438	1.5
135.11702	14.3
137.13271	2.2
139.03917	34.4
141.05447	7.0
142.07921	1.6
143.03459	1.7
143.08586	3.3
144.09366	1.8
145.04904	2.1
145.10146	14.6
147.11703	9.9
149.13223	9.0
151.03935	12.4
153.05476	2.4
155.08571	2.8
157.04953	5.0
157.10185	5.5
159.11717	14.1
161.09599	2.7
161.13275	8.4
163.11188	1.9
163.14851	7.0
169.03516	2.7
169.04980	27.2
169.06390	2.8
169.10123	3.4
171.11728	4.0
173.13226	9.0
175.11172	2.1
175.14891	2.7
181.10181	1.7
183.11777	1.9
185.13272	1.6
187.06021	23.5
187.14871	4.7
189.12798	1.5
195.11690	1.4
199.14952	3.6
201.16458	4.3
213.12877	1.6
219.17488	2.4
225.43874	1.6
241.19617	1.8
243.21103	10.6
252.20508	1.5
255.13991	1.8
259.20609	5.1
261.22150	41.1
262.22458	2.7
277.21628	4.7
279.23120	7.1
308.00992	1.8
327.23138	2.5
345.24335	2.1
357.24512	3.4
369.24231	2.0
411.24884	2.4
429.26639	4.6
447.27734	7.1
465.29053	7.4
483.29987	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	483.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.8
53.55685	2.6
55.01874	7.1
55.05525	21.9
57.07072	7.0
61.02938	4.2
61.51748	2.5
65.03939	5.7
67.05170	4.7
67.05512	72.2
69.03435	34.4
69.07086	19.5
70.69123	9.1
71.01342	6.4
71.04986	7.1
73.02930	4.1
79.05497	44.8
81.03427	27.6
81.07063	100.0
83.04993	16.9
83.08617	12.2
85.02909	11.5
85.06564	5.4
87.04454	4.2
87.13551	3.0
91.05487	39.1
93.07050	66.6
95.04989	16.4
95.08619	61.1
97.02900	62.2
97.10190	5.3
99.04456	7.6
101.02382	3.1
103.03944	5.8
105.07038	41.2
107.08607	43.7
109.02905	12.0
109.06548	3.4
109.10162	31.5
111.04454	25.0
115.03954	5.7
117.06963	15.7
119.08599	36.5
121.10153	31.9
123.04475	15.5
123.11714	14.4
125.02405	3.9
125.09525	3.1
127.03919	16.7
129.07053	3.6
131.08563	33.8
133.06487	3.0
133.10132	25.4
135.08073	3.8
135.11697	30.8
137.09604	4.5
137.13240	8.1
139.03905	9.5
141.05446	9.2
141.07002	3.4
142.07840	3.9
143.08562	9.9
145.10165	35.3
147.08099	5.2
147.11694	26.9
149.09744	3.2
149.10962	2.9
149.13255	22.6
151.03873	16.0
151.14728	3.2
153.05577	3.3
155.08592	6.1
157.10156	9.3
159.11693	29.5
161.13271	20.9
163.14818	12.3
169.05005	24.5
169.10097	5.4
171.08060	3.3
171.11734	6.7
173.09627	4.2
173.13263	19.6
175.14876	6.5
177.12773	4.9
177.16446	5.9
181.10056	2.7
183.11690	5.6
185.09442	3.5
185.13283	6.2
187.05969	8.1
187.14871	11.0
193.12346	3.2
199.07640	3.1
199.14844	3.6
201.16444	11.1
211.11217	2.9
233.22592	3.3
237.16335	3.3
241.19394	4.6
243.21152	20.9
259.20581	11.4
261.22150	80.9
271.05908	2.7
277.21704	6.5
279.23221	12.8
315.23169	8.5
339.23135	4.8
350.25168	3.0
351.25180	3.9
357.23886	3.8
369.24341	4.5
393.23950	3.9
411.25357	6.8
429.26523	12.2
447.27658	12.3
465.28931	17.7
483.30475	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	483.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	3.4
53.03952	6.9
55.01867	16.9
55.05516	29.9
57.03432	7.2
59.62655	3.7
61.60641	3.2
65.03953	5.3
67.05507	83.1
69.03435	47.8
69.07061	26.7
69.40642	24.3
71.04979	12.1
71.54536	3.8
79.05499	67.3
81.03431	35.3
81.07065	100.0
83.01341	5.2
83.04993	30.5
83.08626	15.3
85.02928	25.2
85.06555	7.2
91.05484	56.7
91.06009	5.5
93.07050	81.0
95.04977	22.1
95.08610	74.5
95.09165	6.1
97.02895	40.2
97.06541	12.1
99.04413	4.5
101.02452	4.0
103.03948	7.7
105.07052	56.5
107.04981	7.6
107.08602	54.8
109.02898	18.3
109.06539	8.5
109.10170	37.0
111.04436	24.4
111.08096	6.9
117.07029	26.4
119.08579	61.6
121.06508	4.3
121.10149	43.3
123.04449	14.5
123.11723	8.9
125.09613	4.2
127.03948	16.5
128.06250	6.0
129.07001	10.7
131.08575	40.9
133.06476	6.8
133.10139	41.2
135.04434	3.9
135.08113	7.6
135.11681	34.9
137.09714	4.5
137.62357	3.5
139.03900	16.8
141.05482	11.0
141.06924	5.1
142.07782	6.1
143.08604	18.1
145.06520	3.6
145.10114	34.6
147.08028	6.8
147.11700	26.2
149.09612	4.0
149.13284	18.1
151.03932	11.7
151.07617	4.3
151.11166	4.4
153.05478	6.7
155.08540	4.5
157.05005	7.5
157.10115	25.7
159.08066	8.5
159.11696	48.8
161.09685	5.7
161.13252	26.2
163.07645	3.5
163.11269	4.2
163.14798	12.9
165.12740	6.6
166.83867	4.0
167.08627	5.4
169.05016	23.6
169.10179	12.0
170.10928	3.7
171.06543	5.4
171.08047	4.9
171.11702	11.7
173.09628	4.2
173.13240	25.5
175.11166	3.9
175.14803	8.2
177.12671	7.7
181.10132	8.6
183.11687	15.7
185.13274	7.6
187.05968	8.9
187.11261	5.7
187.14851	6.5
189.16330	5.4
195.11734	7.2
197.13264	9.0
199.14874	11.2
201.16367	7.5
203.17929	5.8
209.13246	5.5
211.11189	4.6
211.14827	4.9
213.12788	5.5
213.16397	4.1
215.14398	4.5
215.17920	4.8
217.15843	9.2
223.14839	11.2
225.16359	5.9
241.15828	4.1
241.19551	5.4
243.21178	12.7
245.11670	4.5
253.15887	4.4
257.15421	4.1
259.20679	14.0
261.22165	29.0
269.15402	8.4
277.21695	37.4
287.16232	6.5
372.38718	3.8
379.75818	3.7
390.05490	4.1
419.29449	13.1
429.26822	8.0
437.30505	15.3
447.28854	16.9
465.29803	28.1
483.31091	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	30.5
57.03436	11.9
57.07077	12.4
60.13121	3.9
67.05507	23.0
69.07072	40.5
69.91817	11.9
69.92223	9.3
71.08629	7.6
79.05526	20.9
79.28095	3.7
81.07068	41.2
83.04981	4.7
83.08624	29.7
85.10181	5.3
89.59705	4.1
91.05482	24.7
93.07060	34.0
95.04992	6.8
95.08604	33.4
97.06526	6.5
97.10169	15.5
98.21523	4.4
98.98475	15.5
105.07038	44.0
107.08595	37.8
109.06507	4.2
109.10170	19.5
117.07031	21.5
119.08610	47.2
121.06544	8.6
121.10114	23.3
123.11743	8.1
125.09653	6.6
129.07022	7.9
131.08586	33.9
133.10150	24.4
135.08026	6.7
135.11723	11.7
142.06242	4.3
142.07719	9.8
143.08618	24.4
144.09366	5.7
145.10168	31.9
147.08049	8.7
147.11717	18.4
149.09639	4.8
149.13321	4.6
155.08635	5.4
157.10135	22.3
159.08102	5.3
159.11726	43.6
161.13309	12.6
163.14824	6.3
166.07796	4.8
169.10135	10.4
171.08125	5.2
171.11713	10.6
173.13293	14.2
175.11269	6.3
175.14879	7.9
181.10129	7.3
183.11708	10.2
185.09627	5.7
185.13338	10.5
187.14938	5.3
193.10176	5.4
197.13322	5.7
199.14896	5.9
201.16402	32.1
203.17947	14.4
215.14362	6.7
219.17426	10.5
227.10800	4.5
229.12283	9.1
234.91769	4.2
236.11954	4.3
280.25766	4.6
294.24121	5.0
311.25851	100.0
323.94556	5.1
359.67203	5.4
437.30191	8.3
447.28931	12.2
465.29758	16.6
483.30991	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	483.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93014	0.5
53.03943	1.7
55.01872	2.5
55.05514	3.1
57.07056	1.8
57.23883	0.7
57.65438	0.7
65.03928	1.2
65.91211	0.7
67.05513	5.6
68.99781	0.8
69.03087	0.7
69.03434	8.8
69.07078	5.5
71.04984	0.7
73.06533	0.6
77.03895	1.3
79.05498	6.9
81.03411	2.7
81.07063	13.4
83.04985	1.9
83.08617	1.5
85.02899	2.5
91.05484	8.0
93.07050	12.9
95.01345	0.7
95.04980	5.8
95.08609	13.6
97.02902	1.4
97.06530	2.1
97.10190	3.1
103.05454	1.4
105.03374	0.8
105.07040	8.8
107.05006	3.3
107.08604	13.4
107.89948	0.6
109.02872	3.0
109.06521	2.7
109.10157	8.2
111.04414	1.8
111.08075	1.7
113.02414	0.7
115.03933	0.7
115.05472	0.7
117.07017	1.8
119.04953	8.1
119.08591	12.3
121.06512	7.1
121.10156	10.6
123.04433	66.3
123.08076	2.1
123.11727	6.5
125.06026	1.2
125.09620	1.4
127.03863	0.7
128.06194	0.6
129.07007	1.4
131.08585	2.6
133.06509	1.4
133.10139	24.7
135.04417	2.6
135.08066	1.9
135.11696	10.3
137.06024	3.6
137.09663	3.1
137.13266	3.3
139.03917	3.8
139.11179	2.3
141.05495	1.5
143.04910	2.7
143.08577	1.5
143.10709	1.0
145.06433	1.4
145.10130	2.9
147.04419	26.2
147.08023	1.3
147.11700	4.6
149.05972	4.3
149.09618	1.5
149.13275	7.9
151.03918	7.9
151.07509	1.9
153.05493	6.3
155.08536	0.8
157.10147	1.4
159.04440	1.0
159.11731	2.6
161.06000	10.8
161.09666	1.4
161.13254	1.2
163.03925	2.0
163.07565	1.9
165.05487	100.0
165.12692	0.8
166.05830	1.0
167.07065	3.2
167.08354	0.7
169.04961	1.6
169.10046	1.3
173.05945	0.9
173.13274	3.0
175.07530	1.9
175.14842	16.8
177.05492	10.7
177.12799	1.0
179.07072	8.2
179.10681	0.7
181.04982	0.7
183.11662	0.7
185.13208	0.7
187.07576	1.6
187.11218	0.8
187.14877	1.0
189.05457	8.6
191.07051	10.7
193.06850	1.5
193.08615	24.3
193.15900	2.5
195.06474	2.5
199.11264	0.8
201.09126	1.0
201.16420	0.8
203.07019	1.4
205.08551	2.0
207.06529	14.6
207.08372	1.0
211.07390	0.9
215.07072	1.2
217.08585	1.2
217.15916	0.8
219.10251	1.1
229.08768	1.1
233.11836	0.9
243.10133	1.5
249.07602	2.5
257.08066	1.0
257.11761	2.7
271.13333	1.0
285.22290	0.9
295.17142	1.6
299.09192	3.9
303.08548	4.5
303.23248	1.5
313.17981	22.2
314.18436	0.8
317.10220	66.5
318.10590	1.4
329.10181	3.8
331.19067	17.9
335.07813	0.8
341.10181	3.3
343.11768	3.0
378.09616	1.6
465.22577	7.6
465.28479	1.4
483.11871	2.7
483.23734	10.9
483.30264	1.6
484.12418	1.1
484.99561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01880	2.4
55.05509	9.6
57.03440	1.2
57.07063	1.7
58.13028	1.5
65.03950	1.3
67.05510	14.5
68.99802	1.9
69.03436	15.5
69.07080	8.5
71.04996	1.5
71.56461	2.0
73.50683	1.5
79.05485	8.2
81.03411	3.8
81.07061	18.4
83.05005	2.7
83.08607	2.5
85.02917	2.9
85.06534	2.3
86.09699	1.4
91.05487	11.9
93.07054	14.5
95.04968	6.6
95.08611	19.9
97.02908	1.9
97.06555	2.6
97.10184	5.2
99.04493	2.2
103.05479	2.4
105.03420	1.5
105.07038	13.5
107.04971	3.1
107.08601	17.4
109.02887	3.1
109.06536	4.4
109.10162	11.0
111.04446	2.5
111.08087	1.8
115.05494	1.9
117.07056	2.6
119.04951	8.9
119.08583	16.5
121.06533	7.9
121.10155	13.0
123.04439	95.8
123.08079	2.7
123.11700	7.7
125.05961	1.7
125.09629	3.0
127.03941	4.1
131.08595	3.1
132.05672	1.3
133.06520	1.9
133.10155	21.1
135.04465	2.9
135.08037	4.0
135.11722	12.2
137.02345	1.8
137.06012	5.5
137.09633	6.8
137.13258	4.5
139.03949	5.8
139.11237	2.9
141.05499	3.3
142.07825	1.4
143.04897	2.3
143.08545	2.0
145.06483	2.3
145.10118	5.9
147.04427	36.8
147.08078	1.4
147.11700	5.5
149.05989	8.3
149.13272	5.0
151.03899	9.6
151.07590	1.7
151.11156	2.6
153.05499	6.8
155.08611	4.7
157.10149	2.6
159.11711	2.8
161.05972	9.9
161.09653	2.9
161.13315	1.9
163.03931	3.9
163.07542	5.9
165.05498	100.0
166.31163	1.3
167.07074	1.7
169.10124	2.2
169.63506	1.5
171.11642	2.0
173.05997	1.9
173.13316	3.1
175.07581	4.3
175.14868	19.8
177.05493	20.1
177.09082	2.0
179.07008	8.4
187.07608	1.6
189.05443	10.1
189.12729	1.5
191.07066	28.1
193.08632	9.6
193.15909	4.1
195.06563	3.5
197.13303	1.9
199.14804	1.4
203.07047	2.8
205.08585	2.4
206.33704	1.8
207.06522	13.7
219.10126	1.4
229.08580	1.7
231.06584	1.4
231.10402	1.6
249.07541	2.3
257.08020	1.8
257.11707	3.5
271.13239	1.4
273.07507	1.4
285.07767	2.0
295.17041	1.5
299.09073	7.1
303.08618	6.2
303.23120	2.2
313.18057	16.5
317.10229	74.8
322.07095	1.4
325.10690	5.1
325.17981	1.9
329.10339	4.3
331.19144	13.0
341.10074	8.0
343.11719	6.6
345.13223	1.9
385.48102	1.5
391.43417	1.3
423.17593	1.6
447.21448	5.0
465.22729	8.7
465.28876	2.4
472.78998	1.2
483.16522	4.3
483.23727	6.3
483.30045	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.00309	0.8
53.03941	1.1
55.01859	1.1
55.05506	2.1
57.07073	1.4
65.03941	0.9
67.05503	4.3
69.03434	6.9
69.07066	4.5
70.16173	3.0
70.29132	0.8
73.91637	0.7
77.03919	0.9
79.05495	6.0
81.03427	1.6
81.07064	7.7
83.04986	1.6
83.08603	1.0
85.02892	1.0
91.05489	6.5
93.07050	10.9
94.76030	0.7
95.01322	1.0
95.04984	4.4
95.08047	0.9
95.08614	9.4
97.02879	1.2
97.06506	0.7
99.04461	0.7
103.05466	0.9
105.07042	8.1
107.04953	2.4
107.08594	11.4
107.28799	0.7
109.02882	2.3
109.06520	3.2
109.10159	5.2
111.04432	2.3
115.05452	1.6
117.07019	1.4
119.04949	7.6
119.08614	9.3
119.09429	0.7
121.06512	4.5
121.10188	7.2
123.04437	64.3
123.11701	4.6
125.05950	0.8
125.09635	0.8
127.03912	1.0
129.06956	0.8
131.08568	2.1
133.06436	1.0
133.10135	20.7
135.04422	2.0
135.08055	1.3
135.11700	8.7
137.02312	0.9
137.05988	3.5
137.09647	1.7
137.13254	2.7
139.03900	4.4
139.11180	1.2
141.05466	2.1
142.07811	0.9
143.04901	2.2
145.10135	2.5
147.04417	25.4
147.08055	1.0
147.11661	2.7
149.05945	4.3
149.09590	1.2
149.13261	5.6
151.03922	7.6
151.07570	1.6
153.05498	4.4
155.08609	0.7
157.10129	1.5
159.04407	1.2
159.11641	1.3
161.05984	9.4
163.03920	1.6
163.07535	1.2
165.05487	100.0
166.05779	1.2
167.07072	2.4
169.04961	1.8
169.06377	0.7
169.10176	0.9
173.13283	2.9
175.07568	2.8
175.14836	12.1
177.05490	11.8
179.07048	8.8
187.07619	1.3
189.05495	8.7
191.07056	9.5
193.08618	22.7
193.10295	1.6
193.15996	0.7
195.06548	3.1
197.13232	0.7
203.07089	1.9
205.08662	3.5
207.06557	15.7
215.07014	0.8
215.10541	0.9
217.08632	0.7
217.15913	1.1
219.10246	1.8
222.21800	0.9
231.06514	1.3
233.11826	0.8
243.10197	1.3
249.07576	1.5
257.11728	3.7
271.62247	0.8
295.16885	2.8
299.09152	3.9
303.08701	4.9
313.17981	20.0
317.10220	69.6
318.10608	1.5
318.80563	0.7
329.10104	3.7
331.12155	1.1
331.19031	12.6
341.10269	3.2
343.11826	3.2
465.22809	6.2
483.23737	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	483.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01874	5.3
55.05504	9.2
56.48610	2.2
57.03452	2.4
66.63449	2.6
67.05516	18.1
67.05807	3.6
68.99793	3.2
69.03427	4.7
69.07058	6.5
71.57915	4.3
72.21910	2.0
75.71858	2.3
77.03896	2.3
79.05483	7.3
81.03424	3.6
81.07050	14.4
83.04976	8.8
91.05486	13.3
93.07057	18.3
95.04987	5.7
95.08611	42.4
103.05479	2.3
105.07014	16.2
107.04953	7.0
107.08593	13.3
109.02922	2.9
109.06599	3.1
109.10182	17.8
117.07002	2.8
119.04936	10.3
119.08601	18.7
121.06524	9.1
121.10165	13.8
123.04437	100.0
123.11698	8.5
133.10155	18.6
135.04414	4.2
135.08043	5.5
135.11714	10.5
137.05931	3.5
137.09628	60.9
138.04092	2.9
139.03903	38.8
139.11162	3.0
147.04417	39.2
147.11646	3.3
149.05975	8.1
149.13249	7.5
151.03906	14.3
153.05479	6.0
161.06007	11.7
163.03917	7.3
163.07544	10.1
165.05496	58.2
175.07596	5.0
175.14813	29.4
177.05495	22.8
179.07034	7.9
187.07486	2.9
189.05453	9.4
191.07031	34.2
193.08589	8.4
193.15929	21.0
199.07503	2.7
205.08514	3.1
207.06523	9.0
219.10152	2.6
221.08093	2.7
221.59200	2.4
243.10167	3.0
257.11554	3.6
265.89087	2.3
273.07605	5.5
277.12546	3.3
285.63693	2.7
291.08591	8.4
295.16992	3.7
299.09262	2.9
303.08719	11.4
313.17981	14.4
317.10110	20.1
325.10709	4.2
329.10071	9.6
331.12540	2.6
331.19070	17.0
341.10236	8.7
343.11755	17.4
343.18591	2.6
355.12051	3.2
465.22726	8.2
483.23450	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	483.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.9
55.01855	1.4
55.05507	2.8
55.55554	0.8
57.05168	0.8
57.07076	0.9
60.75807	0.8
62.88219	0.7
65.03927	1.1
66.92078	0.9
67.05498	4.6
68.99773	1.0
69.03434	10.6
69.07055	3.6
79.05476	4.7
81.03391	1.3
81.07050	7.0
83.04973	1.1
83.08644	1.1
85.02906	1.8
91.05498	8.2
93.07059	7.0
95.01294	0.9
95.04966	3.1
95.08614	10.1
97.10167	1.3
98.21545	1.4
105.03384	1.5
105.07042	6.8
107.04939	2.0
107.08605	9.0
109.02839	1.1
109.06513	1.9
109.10146	4.2
111.04452	1.9
115.05475	1.3
117.07004	1.2
119.04956	8.0
119.08582	13.0
121.06494	3.0
121.10151	4.4
123.04434	91.8
123.11716	4.5
125.09682	1.2
131.08597	1.7
133.06483	1.8
133.09134	1.3
133.10135	19.3
135.04411	2.6
135.08070	1.4
135.11702	8.3
137.02243	1.2
137.05951	4.6
137.09615	2.9
137.13280	2.6
138.95421	0.9
139.03908	5.5
139.11259	0.9
141.05461	2.5
143.04878	2.0
143.08609	1.2
145.10168	2.4
147.04413	33.5
147.11691	1.7
149.05974	5.0
149.13280	3.0
151.03882	5.5
151.07536	1.0
153.05502	7.6
159.11719	0.7
161.05991	12.6
161.09665	1.2
163.03876	3.2
163.07568	2.6
165.05481	100.0
166.05890	1.0
167.07144	1.0
169.10170	0.9
173.06010	1.5
173.13176	1.2
175.07481	2.2
175.14827	15.6
177.05476	20.4
179.07074	8.0
187.07556	1.8
189.05481	9.0
191.07036	10.7
193.08636	7.1
195.06514	2.8
203.07069	3.0
205.08626	3.6
207.06520	17.8
215.07071	1.6
219.10132	1.4
229.08679	1.3
243.10396	0.9
249.07507	2.0
285.07571	0.8
299.09128	6.5
303.08710	4.5
311.09067	1.8
313.17975	6.1
317.10199	90.1
318.10370	1.1
325.10840	2.0
329.10275	5.2
331.11752	1.3
331.18988	7.2
341.10251	6.9
343.11722	4.6
343.18890	1.7
409.16647	1.1
433.25848	0.8
447.21802	1.1
465.22766	5.8
483.23541	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	482.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	8.7
65.41804	5.0
67.05514	17.5
69.07071	20.4
69.93314	21.9
71.08627	6.8
79.05495	18.8
81.07059	47.8
89.05483	9.0
89.06032	100.0
91.05481	26.4
93.07059	29.3
93.64179	5.6
95.04964	8.0
95.08614	29.7
97.06522	8.1
105.07030	53.4
106.07384	7.1
107.07136	5.5
107.08604	31.6
109.06544	6.3
109.10153	19.2
111.08107	7.8
117.07025	13.4
119.08591	43.4
121.10118	15.3
123.11716	8.2
125.50995	5.8
129.07027	8.4
131.08580	17.4
133.08624	51.5
133.10153	21.7
135.11708	14.1
143.08681	6.8
145.10126	45.8
147.11703	10.9
155.08623	10.3
157.10123	23.3
157.82680	5.8
159.11670	46.9
161.13303	56.0
163.14832	14.8
173.13316	8.5
177.11221	20.8
178.01324	4.9
180.31161	5.7
183.11769	12.1
191.18057	8.6
193.10146	5.7
199.14915	10.6
201.16414	55.6
201.60579	5.6
211.11086	7.5
217.15907	10.2
219.17477	29.6
229.12296	15.3
283.17480	62.4
307.34518	6.7
401.28027	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36036	1.4
56.96560	5.1
61.02916	2.1
69.03439	7.4
71.05001	1.6
81.03404	3.9
85.02911	16.2
87.04493	2.0
91.03976	1.5
97.02910	7.1
98.97594	8.2
101.00896	3.3
103.02437	3.4
109.02860	1.6
110.97576	1.6
112.99189	1.4
113.00864	4.2
114.81397	1.3
115.02437	4.0
116.98658	3.5
117.04023	2.0
119.01921	6.4
120.30692	1.5
127.02425	2.1
127.03915	3.9
128.98586	2.0
129.04008	5.3
131.00208	3.7
131.01895	11.0
133.02496	1.9
133.03378	7.1
135.05092	1.7
137.05963	2.4
139.02409	1.6
141.03940	2.8
143.01918	4.4
145.01707	2.8
145.03438	10.5
145.04976	2.8
147.05046	44.6
149.01241	1.8
149.02946	1.9
151.57524	1.5
153.04036	2.9
155.01877	9.8
157.03494	3.6
159.05083	7.7
161.02960	2.9
161.05566	2.5
163.02757	2.7
165.06145	9.4
167.07013	1.5
167.89009	1.5
170.06186	1.8
171.05048	16.5
173.01465	1.6
173.02977	8.3
173.06633	3.8
175.04517	5.1
177.00703	1.7
177.05952	1.8
178.05028	1.6
181.03476	2.0
183.05052	9.6
185.03047	2.8
185.06621	8.3
189.06105	38.8
195.05106	3.4
197.02942	3.1
197.06635	3.1
201.06108	54.0
202.06302	1.5
203.04079	7.1
203.07689	9.1
207.05049	2.1
213.06055	4.6
215.07652	6.5
217.05612	1.7
219.01793	5.1
219.07167	8.5
221.05060	17.2
225.06081	20.8
231.07179	12.6
231.88412	1.4
237.02864	7.1
243.07231	3.5
245.05121	7.8
247.06662	2.1
252.08467	1.8
255.07196	3.9
259.06677	2.4
259.09262	1.8
261.08273	5.1
273.08231	6.6
279.03964	2.2
291.09271	100.0
292.09528	5.5
296.48196	1.8
307.06949	4.3
309.10324	29.2
321.10400	28.8
322.10562	3.0
333.61258	3.9
337.08078	2.7
355.09216	2.3
379.10669	1.4
447.09882	8.3
465.10748	22.1
483.11227	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05504	1.7
57.03442	3.6
59.04996	1.5
60.59240	0.5
61.02929	2.5
63.03344	0.5
67.05505	0.6
69.03434	7.7
69.07059	2.1
70.06590	0.6
71.01350	0.9
71.04996	12.2
71.08439	1.0
71.89845	0.6
73.02923	8.7
73.06561	2.9
79.05497	3.0
81.03406	0.9
81.07063	16.7
83.08620	0.7
85.02428	0.7
85.02913	9.5
87.04461	0.9
91.03936	0.6
91.05492	1.3
93.07051	9.8
95.04992	0.8
95.08601	2.2
97.02899	10.8
97.06520	1.1
99.04494	0.5
107.08605	8.1
109.02867	0.5
109.10160	1.9
115.03933	6.7
127.03926	3.1
129.67520	0.5
133.04984	3.4
135.11702	19.1
137.06007	0.9
145.04980	2.9
153.01862	0.6
153.12753	100.0
154.13104	1.2
163.06097	1.2
171.13794	1.2
177.05441	0.6
223.06094	0.8
241.07034	1.0
249.91454	0.5
259.08197	1.5
275.05048	0.5
278.23730	0.5
285.16919	0.7
295.10358	1.2
303.04443	0.5
305.05063	0.8
312.21707	0.5
315.28049	0.5
317.06552	1.7
318.06924	3.9
319.07178	3.9
320.07404	6.2
387.46222	0.5
482.21661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39893	10.6
57.89671	8.6
67.05505	18.4
69.07055	27.7
69.63405	71.3
79.05494	11.1
81.07055	36.7
83.57246	10.4
89.06038	100.0
91.05514	21.0
93.07030	21.3
95.08605	26.5
105.07037	38.2
107.08596	24.2
109.10161	18.3
119.08601	22.4
121.10162	13.2
133.08609	48.9
133.10097	21.5
135.11758	10.6
138.71747	9.5
143.08546	23.1
145.10132	26.9
157.10136	31.2
159.11705	11.8
161.13287	10.7
177.11220	26.1
183.11739	14.9
199.14883	14.9
203.14018	9.4
219.17578	13.1
283.17435	65.1
451.23468	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	481.2952
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
53.03921	2.8
54.31893	1.8
55.05513	3.6
55.36213	1.7
60.81945	1.6
67.05505	8.3
69.07068	5.0
69.71793	3.2
69.72189	10.2
79.05496	13.1
81.07056	21.4
83.04985	2.9
83.08619	2.2
91.05482	17.9
93.07059	18.9
95.04978	4.2
95.08630	9.7
104.25849	1.7
105.07034	33.5
107.04930	4.8
107.08595	13.5
109.06512	6.3
109.10156	8.1
113.40502	1.7
115.05399	2.1
117.07005	10.9
119.08586	22.8
121.06491	4.4
121.10147	24.6
123.08105	3.0
123.11745	2.3
128.06227	4.0
129.07022	10.7
130.07814	3.0
131.08569	18.7
133.06560	2.5
133.10112	10.5
135.08080	3.4
135.11658	3.3
137.06026	1.6
141.06966	4.1
142.07787	7.3
143.08600	13.1
144.09332	3.4
145.10141	18.5
147.08041	3.2
147.11696	7.1
149.13251	2.4
155.08556	14.2
156.09390	2.4
157.10136	18.1
158.84152	1.7
159.08051	8.1
159.11707	37.9
159.36086	1.9
161.09569	2.0
161.13286	10.5
161.19341	1.7
165.07008	2.6
166.07768	2.1
167.08603	4.1
168.09357	3.9
169.10141	12.4
171.08145	3.6
171.11731	6.2
173.09656	5.1
173.13287	6.6
175.11174	4.3
177.12737	4.7
179.08601	2.7
181.10126	5.5
182.10893	5.3
183.11682	11.7
185.09598	2.8
185.13298	7.3
187.11209	3.2
187.14810	3.7
193.10196	5.8
194.14813	1.8
195.11703	6.1
197.13257	20.8
199.14835	5.0
201.12772	3.8
207.11734	4.4
209.13306	2.5
211.11217	6.1
211.14914	3.9
213.12758	2.7
215.14294	12.6
217.15970	2.7
221.13347	5.2
223.14742	2.3
229.12157	2.4
229.15872	2.6
231.13695	2.3
233.15433	3.8
234.16185	1.9
239.14351	3.4
257.15390	2.4
266.22031	1.8
267.13950	2.1
303.15796	3.0
395.22046	1.9
399.26782	4.1
417.28027	4.3
427.26004	3.0
435.28894	3.4
445.27267	11.9
463.28452	100.0
481.29593	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05082	2.5
58.24097	2.5
66.09870	2.4
67.05495	6.2
69.07056	5.3
70.16148	5.5
70.16545	4.4
71.04985	5.0
79.05500	9.5
81.07066	15.7
83.04983	5.3
83.08619	2.8
91.05484	7.3
93.07048	11.1
95.04969	5.7
95.08608	8.7
98.20947	4.5
98.21474	2.9
105.07041	10.4
107.08595	23.3
109.06535	21.4
109.10147	4.8
117.07047	2.7
119.08576	17.0
121.10138	9.6
123.08107	5.0
123.11736	2.6
125.09653	3.0
131.08574	6.7
133.10147	8.9
135.11687	6.0
143.08463	2.8
145.10135	6.1
147.11687	9.2
149.13249	4.0
151.11203	4.7
153.30962	2.8
157.10144	7.9
159.11681	24.6
161.09663	4.9
173.13303	6.7
175.11198	3.2
175.14909	7.2
177.12740	7.3
189.16396	4.5
199.14842	9.9
201.16476	2.7
217.15915	13.4
235.16959	100.0
282.06433	2.4
286.19376	3.1
302.11014	2.8
424.28461	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	481.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04031	1.7
53.03946	8.3
55.01865	8.2
55.05504	7.8
57.03431	6.5
57.07060	3.1
59.05024	2.0
61.02921	3.1
65.03940	5.0
65.92180	1.7
67.05505	23.3
69.03440	19.9
69.07076	10.3
69.30695	2.1
71.01370	3.0
71.04996	5.5
71.55175	2.6
71.55539	2.3
73.02953	1.9
77.03893	1.8
79.05065	2.5
79.05500	31.7
81.03431	17.8
81.07060	31.4
83.01348	2.2
83.04986	7.9
85.02909	28.4
85.06551	4.0
90.30510	2.0
91.05487	37.5
93.07055	38.8
95.01334	2.5
95.04980	12.1
95.08614	23.7
97.02904	31.8
97.06551	5.9
99.04476	8.6
103.03957	6.2
103.05464	2.2
105.07034	51.8
107.04936	3.0
107.08601	25.3
109.02894	30.6
109.06536	4.5
109.10186	6.9
110.65305	2.3
111.00814	2.6
111.04436	6.0
111.08045	2.6
113.02374	2.5
115.03940	2.2
115.05477	2.6
117.07023	14.2
119.08594	40.5
121.06495	3.7
121.10149	17.5
123.03658	1.9
123.04431	11.4
123.08043	3.7
127.02975	4.8
127.03928	100.0
128.06210	5.0
129.07004	11.7
131.08595	25.9
133.10147	28.1
135.08028	4.6
135.11707	16.0
137.06021	3.7
139.03943	22.2
141.05472	7.6
141.07045	3.0
142.07733	4.1
143.08571	13.5
145.04955	3.8
145.10136	22.8
147.08104	3.1
147.11693	24.9
149.09647	2.6
149.13255	6.3
151.03917	8.1
154.07629	2.4
155.08562	7.4
156.09352	2.9
157.05045	2.4
157.10136	19.3
159.06573	2.5
159.11694	28.1
161.09650	6.1
161.13258	25.2
163.11211	4.1
163.14789	3.6
165.06996	2.7
167.08530	2.5
168.09381	2.4
169.04988	18.2
169.10126	5.1
171.08167	2.2
171.11705	12.2
173.09650	4.3
173.13208	10.4
175.11189	4.0
175.14844	8.5
177.12794	4.8
181.10072	5.3
183.11696	4.9
185.09636	2.7
185.13342	10.5
187.06049	26.1
187.11162	2.4
187.14897	4.1
195.11745	3.5
197.13240	9.4
199.11151	3.3
199.14790	6.4
201.12833	4.2
201.16393	5.0
207.11700	2.4
209.13187	4.4
211.11185	2.3
213.12723	3.3
213.16368	2.8
215.10681	2.6
215.14291	4.1
219.23343	2.2
221.13351	3.2
223.14932	3.7
229.12297	3.0
229.15778	2.4
241.15695	2.1
241.19514	14.6
257.19110	4.5
259.20590	40.5
275.20074	6.1
277.21753	11.1
367.22440	2.6
417.28253	3.7
445.26840	9.1
463.28290	15.1
481.28989	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	480.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.7
56.94968	2.2
60.79205	2.1
60.82925	1.7
63.26893	1.9
65.18869	2.5
67.05511	10.5
69.03425	3.0
69.07070	5.1
70.72791	6.1
79.05511	19.1
81.07065	39.8
83.08612	5.3
91.05488	26.4
93.07053	28.3
95.05002	3.4
95.08624	26.2
97.06524	2.8
105.07037	50.9
105.29583	2.3
107.08605	24.2
109.06548	2.8
109.10175	8.1
115.05470	2.3
117.07033	13.1
119.04939	2.8
119.08588	31.8
121.06527	4.3
121.10160	15.2
123.08099	2.4
123.30224	2.0
125.06005	3.5
128.06221	2.4
129.07013	7.4
131.08575	50.1
133.06537	3.0
133.10124	19.0
135.08105	5.0
135.11687	7.1
137.05966	3.4
139.07581	3.6
141.07063	2.2
141.43983	2.0
142.07777	5.8
143.08597	11.5
145.10130	43.1
147.08015	4.1
147.11671	13.0
148.07706	2.2
149.05971	5.7
149.09601	3.1
149.13258	3.4
151.07578	10.9
155.08569	11.5
156.09361	4.2
157.10135	29.0
157.16565	2.1
159.08095	6.2
159.11703	23.5
161.09709	3.5
161.13274	23.8
163.07584	13.1
163.14828	6.4
167.08559	3.2
168.09355	5.5
169.10216	11.1
170.10881	4.3
171.11690	6.9
172.12234	3.4
173.09624	6.9
173.13298	8.1
174.54514	2.5
177.09105	11.7
181.10103	2.2
182.10950	3.7
183.11703	7.5
185.13269	31.1
187.11278	3.9
187.14844	100.0
189.16353	3.3
191.10712	3.3
193.10114	3.7
195.11697	8.7
197.13289	12.7
199.11293	3.7
201.12772	3.0
205.15927	8.8
209.13350	2.5
211.11041	2.4
213.12776	24.5
215.14333	38.2
217.12045	2.7
225.12901	3.3
229.12206	3.3
231.13779	11.2
233.15378	65.5
241.12259	4.1
243.13853	3.5
254.34245	2.4
273.49985	2.0
337.87839	2.3
371.27448	2.3
399.26862	2.9
417.27884	24.7
427.26285	6.7
445.27234	26.3
463.28531	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	480.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58597	4.2
53.03937	4.4
55.05520	8.9
56.68498	3.6
58.13833	4.4
67.05515	14.2
69.07057	11.1
69.81045	21.0
70.95975	4.2
76.74223	3.8
79.05511	23.6
81.07069	47.1
81.12163	3.8
91.05479	28.5
91.45319	4.4
93.07056	32.4
95.04971	7.9
95.08606	31.1
98.21005	10.2
105.07042	85.2
105.07700	3.8
107.08612	37.8
107.80311	4.0
109.06553	13.1
109.10165	9.5
117.07034	4.2
119.08602	39.0
121.06532	9.5
121.10147	12.3
128.06229	13.7
129.06992	14.3
131.08578	24.9
133.10135	20.9
142.07780	23.4
143.08572	78.2
145.10129	22.9
147.11714	10.5
155.08565	7.2
156.09395	5.1
157.10162	70.5
159.11710	36.4
161.09644	10.6
161.13329	7.7
167.08513	4.6
169.10210	6.0
171.11676	20.1
173.13301	5.4
175.11159	5.2
183.11720	5.9
189.12819	5.9
189.16364	21.9
199.14862	100.0
217.15919	50.5
235.16931	25.4
235.71494	4.1
283.08698	4.0
343.40833	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	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.5
57.03448	6.4
57.06859	0.6
57.07081	6.7
67.05512	11.0
69.07074	19.6
69.39215	6.0
71.08620	2.9
79.05502	5.6
81.07066	12.5
83.04988	1.1
83.08632	11.4
85.10191	1.0
86.09728	1.2
91.05500	3.8
93.07050	9.3
95.04970	1.3
95.08618	11.6
97.06531	2.2
97.10174	6.7
98.21447	1.7
98.98458	0.9
99.08093	1.1
105.07033	5.7
106.07322	0.9
107.08603	5.6
109.06515	0.8
109.10152	6.6
110.06820	0.8
111.08084	1.5
111.11721	2.4
117.07014	2.2
119.08582	10.4
120.08927	3.8
121.06529	0.9
121.10149	6.2
123.11721	2.1
125.09624	0.9
128.06189	1.2
128.39890	0.7
129.07050	1.1
130.07382	0.7
131.08574	3.2
132.08929	1.5
133.10129	1.7
134.10510	1.2
135.08046	1.0
135.11717	4.9
139.11177	0.7
142.07773	2.1
143.08516	2.6
144.09056	1.0
145.10126	2.9
146.10457	1.0
147.11789	0.7
149.09633	0.9
149.13280	1.5
151.14862	0.8
153.07024	2.0
155.08586	4.5
156.08972	2.6
157.10150	7.4
158.10474	4.3
159.11699	3.2
160.12036	1.6
161.09700	0.9
161.13344	0.9
163.14777	0.8
168.09348	4.1
169.09883	2.6
170.10526	1.0
171.08180	1.0
173.13263	1.4
181.10104	1.4
182.10493	1.1
183.11708	8.7
184.12042	6.6
186.13651	1.1
187.14804	1.5
193.10204	1.7
194.10489	1.5
196.12102	0.7
199.11234	1.3
199.80472	0.7
200.11606	1.0
201.12808	1.4
202.13135	1.3
202.97804	0.7
211.11201	4.1
212.11589	4.1
216.06427	0.8
229.12219	3.9
230.12614	3.4
247.24142	1.0
264.05927	0.7
265.25333	1.6
308.29514	4.0
339.28967	100.0
340.29144	1.7
426.33890	0.8
444.26495	1.3
455.32425	0.7
462.27280	1.6
480.28015	1.9
480.34024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.309
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05520	13.7
57.03435	3.5
57.07068	5.0
62.06098	26.2
67.05506	13.6
69.07071	20.6
69.80710	6.3
71.08655	2.9
72.17792	1.5
73.17615	1.4
73.61369	1.4
75.46135	1.5
79.05498	7.8
81.07069	14.1
83.04996	2.1
83.08624	14.1
85.10179	2.4
86.01942	1.4
88.04019	2.5
91.05485	4.4
93.07025	7.3
94.07412	1.5
95.08607	16.0
95.71490	1.4
97.06514	1.9
97.10180	5.4
98.06047	2.7
98.98474	8.1
105.07063	7.5
106.07339	2.2
107.08597	6.4
109.10157	6.3
111.08149	2.3
111.11706	2.3
117.06999	2.6
119.08556	4.5
121.10127	8.8
123.11692	2.3
124.01625	2.6
129.07016	1.9
131.08560	3.5
133.10123	2.4
135.11716	4.1
142.02682	2.8
142.07767	2.1
143.08563	4.1
145.10146	3.1
147.08147	1.6
149.13217	1.8
151.93642	1.5
155.01122	7.2
157.10124	2.7
159.11702	3.1
160.12050	1.7
161.13243	2.9
165.06993	1.8
171.11765	2.6
173.13190	1.6
181.10173	2.5
183.11716	2.2
184.11836	1.5
185.13292	1.9
186.13908	1.7
198.13660	1.5
216.06367	3.6
229.12109	1.8
245.11826	2.2
247.24228	2.0
265.25183	4.0
297.60559	1.5
308.29498	28.4
339.28983	100.0
340.29266	2.0
374.07028	1.5
403.11929	1.6
419.25302	2.3
434.27811	1.9
462.27573	2.5
480.28455	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01879	3.3
55.05511	20.1
57.07076	90.9
67.05496	12.5
69.07070	41.3
69.49649	6.9
69.50062	14.9
71.08632	82.9
74.93861	3.0
77.88465	2.9
79.05502	15.6
81.07058	41.6
83.04977	16.4
83.08611	23.7
85.06552	3.8
85.10187	45.7
91.05485	6.9
93.07047	39.7
95.08604	36.5
97.06532	7.6
97.10182	17.7
99.08100	5.7
99.11736	11.1
101.06015	36.6
107.08591	36.6
109.06519	12.5
109.10156	19.6
111.08071	6.5
111.11710	8.0
115.07548	11.5
121.10130	24.1
123.11705	7.5
125.06015	4.5
125.09650	7.5
125.13297	6.4
127.07557	90.7
127.11214	2.8
129.05486	100.0
135.11688	19.8
137.13286	7.1
139.07541	10.4
139.11180	7.6
143.07068	7.4
149.13258	16.8
151.14810	3.1
153.09129	4.0
153.12755	4.4
157.08669	4.9
163.14859	15.1
167.10661	4.3
167.14281	8.3
171.10069	4.1
177.16379	13.4
181.12317	3.3
181.15891	5.3
191.14384	3.0
191.17973	10.2
205.19588	5.6
209.19098	5.8
213.14803	5.1
219.17493	3.4
219.21054	5.4
223.20511	3.9
247.20245	3.1
255.19504	3.6
280.77661	3.2
285.87659	3.1
289.28995	12.3
307.29929	10.5
317.28543	3.8
354.04672	2.9
479.37109	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.05514	37.0
57.07074	15.0
61.47277	3.0
67.05508	28.7
67.23483	3.2
67.33634	3.0
69.03418	5.2
69.06721	5.5
69.07072	68.1
70.15361	3.3
70.39757	12.0
71.05006	7.0
71.08633	9.6
73.06610	3.1
79.05500	16.2
81.02457	4.2
81.07060	65.9
83.05011	6.3
83.08622	29.6
85.10178	6.8
89.06036	21.5
91.05489	16.2
93.07042	25.7
94.05242	3.6
95.04971	13.9
95.08614	54.3
95.78860	3.3
97.06541	5.0
97.10188	22.2
99.04459	4.9
105.07037	20.3
107.08614	30.3
109.06506	12.1
109.10170	29.6
111.08071	7.4
111.11706	14.0
115.91440	4.0
117.07036	8.2
119.08622	17.5
121.06504	7.3
121.10149	15.1
123.04424	5.3
123.08102	11.0
123.11723	19.5
125.06014	21.3
127.03986	3.7
131.08585	13.2
133.08629	8.4
133.10141	12.8
135.08084	9.0
135.11719	5.8
137.05984	39.5
137.09604	4.2
137.13297	8.0
139.07535	53.9
139.76335	3.9
140.10298	3.8
142.07843	5.3
143.08565	8.7
144.09468	4.1
145.10117	13.6
147.11731	7.1
149.06012	4.1
149.09612	11.0
149.13330	3.9
151.07523	26.4
151.14886	6.6
155.08615	4.4
157.10155	11.4
159.08078	4.0
159.11757	16.6
161.09569	6.2
161.13235	7.9
163.07489	4.7
163.11240	5.3
165.05453	18.5
165.09161	10.7
167.07048	20.9
169.10094	4.6
171.11720	6.0
173.09602	7.9
173.13362	7.0
175.11197	10.2
177.09126	100.0
179.07062	10.1
181.08745	4.6
187.11247	7.0
193.08684	19.0
197.13333	5.5
203.10638	4.2
205.12244	9.9
207.13774	4.8
213.12657	5.9
219.13881	5.4
219.34518	3.5
221.11679	3.8
227.10806	4.2
231.13777	5.0
260.76105	3.7
291.19659	3.6
298.58328	4.1
305.28442	7.9
310.55624	3.7
319.22681	4.7
343.91028	4.1
383.33401	4.4
397.34479	4.7
401.34082	10.2
415.35666	10.8
425.34106	10.4
433.36804	6.4
443.35226	32.9
461.36380	47.4
479.35342	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	480.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01099	1.2
50.77111	1.3
53.03933	2.5
55.01877	1.7
55.05498	2.5
57.03442	10.6
57.07072	2.6
59.04972	1.7
60.86943	1.4
67.05502	5.5
69.03423	3.6
69.07073	7.0
71.04998	64.5
71.36398	2.4
73.02912	5.7
75.04487	3.6
78.83052	1.3
79.05504	8.4
81.07063	100.0
82.04694	1.2
83.04990	9.8
85.02912	83.6
87.04476	1.8
91.05422	1.9
93.07059	2.3
93.48379	1.5
94.80918	1.3
95.08617	20.7
97.02894	6.4
99.04405	1.6
101.05957	1.7
105.07018	2.6
109.02865	1.5
109.10155	2.9
109.81643	1.3
110.51349	1.3
111.04446	4.9
115.03893	3.5
123.11714	3.2
127.03902	4.1
129.05489	36.4
133.05009	1.4
133.06122	1.4
133.10091	1.9
137.05878	1.3
137.13274	23.8
145.04987	3.7
145.80542	1.5
147.06546	20.2
151.11156	1.9
164.09178	6.8
232.28325	1.3
242.37631	1.1
255.08620	3.3
277.40613	1.3
424.90448	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71984	0.7
53.03942	2.0
55.01865	1.1
55.05517	8.5
57.03426	0.9
57.07084	2.9
61.40242	0.7
62.37094	0.5
65.03930	1.3
67.05505	11.6
69.03428	1.1
69.07072	11.9
71.04993	0.8
71.07946	1.5
71.08612	1.0
73.12373	0.5
79.05502	5.9
81.03426	1.7
81.06583	1.3
81.07064	25.8
83.01356	1.5
83.04999	1.5
83.08221	0.5
83.08630	4.4
85.02901	0.7
85.06572	2.9
89.56830	0.5
91.05482	5.8
93.07045	4.6
95.01299	0.8
95.04967	2.6
95.08614	15.0
97.02921	1.1
97.06544	0.9
97.10162	1.5
99.00824	5.6
99.04462	1.9
105.07040	6.5
107.04939	1.2
107.08568	4.2
109.02905	0.7
109.06511	1.3
109.10161	6.2
111.08072	0.7
111.11685	0.7
113.02360	2.0
115.05487	1.5
115.91998	0.6
117.01849	1.2
117.07006	3.1
119.08593	5.5
121.06479	2.0
121.10161	1.9
123.08088	1.1
123.11723	2.6
125.05965	0.9
125.09673	0.6
128.06230	1.3
129.07005	2.9
131.04945	0.7
131.08568	4.4
132.87155	0.6
133.06540	1.3
133.10129	3.3
135.04495	1.2
135.08073	2.0
135.11723	2.1
137.05997	2.3
137.09555	0.6
137.13298	1.4
139.07538	0.7
141.06993	1.2
142.07771	1.4
143.08540	3.4
145.06517	0.8
145.10165	5.2
147.08046	1.2
147.11707	2.9
149.05994	1.1
149.09619	1.3
149.13292	1.0
151.07535	1.6
153.05504	1.3
153.07014	0.7
155.07085	1.1
155.08539	2.7
156.09346	1.4
157.10135	6.0
159.08069	1.2
159.11684	3.4
161.06000	1.2
161.09637	1.4
161.13324	1.1
163.04007	1.2
163.07597	2.2
163.11212	1.1
165.05638	0.8
165.06932	1.1
165.09138	1.2
167.08603	1.3
169.10185	2.1
171.08075	2.6
171.11746	1.4
173.09563	1.5
173.13327	1.7
175.07610	2.8
175.11244	1.8
177.05473	3.5
177.09091	1.9
177.12747	1.0
179.08611	0.8
181.04956	9.3
181.10152	1.3
183.06544	3.2
183.11697	2.4
185.09663	1.7
185.13283	1.8
187.11185	1.1
187.14830	1.0
189.09131	10.1
191.07057	1.7
191.10657	1.6
193.10132	1.1
193.12206	0.8
195.06543	21.3
195.11716	1.4
197.09612	0.9
197.13278	1.6
199.11134	1.4
199.14824	1.3
201.09074	0.9
203.07097	0.7
203.10695	2.0
205.08562	1.1
207.06549	1.7
209.08069	11.0
209.09859	0.8
209.13339	0.9
211.11212	0.8
213.09117	1.0
213.12758	1.4
215.10876	0.8
215.14345	1.9
217.08514	0.7
217.15862	1.1
223.09621	11.1
227.10745	1.2
229.12245	1.2
231.13811	1.0
233.15364	0.9
235.09697	1.6
237.11203	12.8
243.10075	1.0
249.11221	8.3
251.12828	4.2
263.12756	3.3
263.97708	0.6
265.14435	1.4
277.14426	1.2
279.15909	1.5
289.48029	0.6
291.16068	0.7
293.17526	1.3
302.04230	1.1
305.17636	0.9
307.19107	4.2
317.06522	2.2
319.19061	2.8
333.20944	0.7
415.26608	0.8
433.27322	1.0
443.26151	1.1
443.31549	8.8
461.32645	100.0
462.33273	3.6
479.27716	6.1
479.34305	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	479.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01867	3.2
55.05502	6.8
57.03439	3.3
67.05513	11.7
69.03431	5.6
69.07079	12.7
69.87935	8.9
76.96671	1.8
79.05508	18.2
80.03528	1.6
81.07066	27.5
83.04980	6.6
84.96176	1.6
91.05493	18.2
93.07050	24.3
93.81928	1.6
95.04955	8.1
95.08624	22.5
97.06538	7.2
97.10188	2.0
103.05513	2.0
105.07047	37.0
107.04962	28.9
107.08614	17.1
109.02898	2.5
109.06551	6.2
109.10186	11.2
111.11749	4.4
115.05431	3.4
117.07006	10.3
119.04944	1.9
119.08601	19.4
121.06523	12.1
121.10151	11.2
123.08097	3.4
123.11711	4.6
128.06238	5.8
129.07011	11.7
130.07704	2.4
131.08575	17.0
133.06520	2.9
133.10143	15.6
135.08080	12.5
135.11697	7.3
141.06995	4.3
142.07806	7.2
143.08566	18.6
144.09399	2.8
145.06477	4.5
145.10123	17.6
147.08076	6.1
147.11739	11.3
149.09625	2.7
149.13229	3.9
151.07582	1.8
153.07010	3.3
154.07851	4.1
155.08527	9.1
156.09377	4.0
157.10152	25.7
158.07356	2.3
159.08078	6.3
159.11694	14.5
161.09622	5.9
161.13274	16.3
163.14867	3.3
165.06969	2.2
167.08621	5.9
168.09338	2.8
169.10175	9.3
171.08061	6.5
171.11742	15.0
173.09613	7.8
173.13303	3.6
175.11215	5.0
175.14853	3.9
179.08638	3.5
181.06561	2.3
181.10156	6.6
182.07333	3.2
183.08080	4.9
183.11719	6.9
184.08934	2.8
184.12509	3.8
185.09645	6.7
185.13243	10.7
187.11276	2.4
187.14885	4.4
189.12801	2.0
189.16420	5.0
193.10167	3.0
195.08032	5.1
195.11870	4.1
196.08830	2.4
197.09648	18.9
197.13326	4.7
198.10471	2.2
199.11221	11.8
199.14857	23.9
201.09138	3.3
201.12872	2.6
201.16412	4.2
203.14284	3.5
209.09688	4.9
209.13420	1.9
211.11195	5.6
211.14818	8.2
213.09171	3.8
213.12839	3.7
213.16423	18.4
215.10753	2.9
215.14270	3.2
217.15910	27.5
219.08092	2.4
221.09515	2.2
221.13283	2.7
223.11235	8.2
225.09172	3.8
225.12724	6.1
227.10710	4.8
229.12289	2.7
229.15906	4.1
231.13962	2.5
231.17444	59.5
234.10304	3.7
235.11252	2.1
235.16904	7.0
237.12891	3.9
239.10744	3.4
239.14288	6.2
243.10205	27.0
245.11707	20.0
249.12804	6.9
253.12408	2.1
255.10022	2.6
263.14624	2.0
267.13846	14.2
269.11685	2.4
287.12863	4.7
295.13278	2.9
313.14340	13.4
319.13345	3.4
337.07797	2.0
337.14569	2.4
415.26340	4.6
443.26056	11.6
461.26923	69.9
479.27975	100.0
480.28662	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3371
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
51.02383	0.7
53.03943	1.1
55.01871	1.8
55.05306	0.9
55.05518	9.8
57.03448	1.1
57.07071	2.0
60.21269	0.7
65.03960	0.9
67.05238	1.0
67.05518	11.7
69.03442	1.9
69.06730	0.9
69.07079	16.5
70.67964	1.5
70.68337	1.7
79.05498	6.7
81.03428	1.2
81.06582	1.5
81.07063	27.9
83.01340	1.0
83.04971	1.6
83.08607	5.4
85.02927	0.7
85.06551	2.8
91.05482	5.7
93.03389	0.9
93.07063	6.9
95.01319	1.3
95.04981	2.7
95.08051	1.5
95.08617	19.4
97.06511	1.9
97.10167	1.9
99.00812	7.2
99.04457	2.3
99.08117	0.9
103.05485	0.9
105.07044	10.1
107.04974	1.4
107.08591	4.3
109.06521	1.9
109.10172	7.8
111.94079	0.8
113.02367	1.3
115.05484	1.6
117.07021	2.9
119.08598	6.0
121.06519	1.8
121.10155	1.8
123.08120	1.2
123.11724	1.9
125.06015	1.4
128.06218	1.3
129.07011	4.7
131.08586	6.4
133.06531	1.1
133.10136	5.3
135.04413	0.8
135.08095	3.0
137.06013	2.5
137.13330	1.3
139.03958	0.8
141.06969	1.1
142.07791	2.0
143.08527	4.6
145.06445	1.0
145.10147	5.8
147.08089	1.6
147.11693	3.1
149.06061	1.2
149.09621	0.9
149.13211	0.8
151.07565	1.7
153.05496	2.9
153.06848	1.3
154.07736	0.9
155.07092	1.3
155.08617	2.7
157.10147	6.2
159.08028	1.8
159.11705	5.2
161.06061	1.4
161.09607	1.8
161.13275	1.5
163.03960	1.8
163.07539	1.7
163.11206	1.0
165.09236	1.0
167.08482	1.8
169.10144	3.2
171.08064	2.9
171.11729	3.1
172.45995	0.8
173.09700	2.6
173.13255	1.0
175.07567	3.1
175.11261	2.2
177.05502	5.1
177.09189	1.3
181.04973	11.0
181.10165	2.4
183.06563	3.4
183.08040	0.9
183.11691	3.0
185.09645	1.8
185.13358	1.8
187.07558	1.2
187.11293	1.3
187.14906	1.2
189.09120	12.2
189.12804	1.1
191.07037	1.2
191.10724	1.8
193.10326	1.4
193.12210	1.0
195.06544	27.4
195.08232	1.6
195.11752	2.4
197.09674	1.2
197.13283	2.5
199.11255	1.8
199.14938	1.8
201.09099	1.3
203.10736	2.5
207.06487	2.0
207.11905	1.0
209.08078	10.9
211.11296	2.0
213.12698	1.5
213.16486	1.3
215.10703	1.0
215.14386	1.5
217.12407	0.9
217.15919	2.1
221.08154	1.6
223.09648	15.7
223.11589	1.0
223.14903	1.2
227.10582	1.2
231.13918	0.8
235.09703	1.7
237.11201	15.2
243.10194	1.6
245.11707	1.1
249.11208	10.9
251.12791	5.6
263.12915	2.2
265.14407	1.5
277.14334	1.0
279.15884	1.9
291.16006	1.6
293.17441	1.9
305.17459	1.7
307.19080	3.4
317.06702	1.3
319.19214	2.1
333.20700	1.1
333.51038	0.9
369.24536	0.9
405.73056	1.0
415.26416	0.8
443.26059	2.1
443.31763	6.1
461.27133	4.3
461.32669	100.0
462.33121	3.0
479.27902	5.6
479.33859	29.5
480.34174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.2
55.01867	7.9
55.05512	15.0
67.05514	40.5
69.03438	7.9
69.07064	24.8
69.70892	36.7
71.40945	5.5
79.05493	40.4
80.48323	5.7
80.76050	6.0
81.07071	68.8
83.08619	15.2
91.05487	53.8
91.91829	5.2
93.07059	45.5
95.04973	22.0
95.08625	51.6
97.10168	10.6
105.07031	88.9
107.04995	9.6
107.08608	42.2
109.06490	11.7
109.10184	19.8
115.31120	6.4
117.07024	27.7
119.08586	66.9
121.06483	8.1
121.10145	18.1
123.08009	7.4
123.11712	7.9
128.06247	25.1
129.07016	37.7
131.08592	58.1
133.06526	8.6
133.10100	34.2
135.04453	7.0
135.08066	24.7
135.11694	11.0
141.06970	12.4
142.07811	20.8
143.08566	68.6
144.09325	8.0
145.06512	12.5
145.10126	61.7
146.51973	7.5
147.08060	10.8
147.11687	20.5
149.09636	11.5
149.13245	8.4
151.07600	9.4
155.08537	33.8
156.09242	11.1
157.06502	23.5
157.10146	67.0
159.08012	8.8
159.11687	54.0
161.02361	8.3
161.09592	10.4
161.13264	14.0
165.07066	17.5
168.09395	10.8
169.10129	24.9
170.10959	10.8
171.08125	15.3
171.11736	28.5
173.09679	11.7
173.13268	12.8
175.07535	17.8
175.11212	23.6
180.09377	17.0
181.10112	11.6
182.10834	6.4
183.08081	6.6
183.11725	29.8
185.09578	8.0
185.13284	100.0
187.07544	6.4
187.14743	13.7
189.09219	8.7
189.12743	7.3
191.10596	5.8
195.11719	54.6
197.04434	30.1
197.13272	21.0
199.11172	14.3
199.14809	13.8
201.12834	8.1
201.16405	9.1
209.13359	9.3
211.11206	8.9
213.12755	44.9
215.14279	11.9
221.13326	6.4
225.12721	9.2
229.12366	6.5
229.15884	9.5
231.13806	64.3
233.15396	8.9
243.13927	12.2
261.88290	7.0
301.85266	6.0
317.06644	11.0
433.27557	15.6
443.25800	18.3
461.26862	36.4
479.27545	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	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03940	0.4
55.01871	0.4
57.03431	0.9
61.02922	1.4
66.79058	0.4
67.21972	0.4
68.01947	0.4
69.03432	3.0
69.95798	0.8
69.96212	1.1
71.04998	0.8
71.59339	0.4
73.02904	0.3
75.56705	0.3
77.67181	0.4
81.03411	1.5
85.02912	8.6
91.03963	0.5
92.02608	0.8
93.03420	0.8
97.02895	3.2
98.21432	0.6
101.76771	0.5
103.12316	0.4
106.38923	0.4
109.02872	0.9
119.75204	0.4
127.03916	1.9
139.03922	0.8
145.04959	1.5
151.03966	0.6
153.01845	6.2
165.01793	0.5
201.05537	0.6
203.03360	0.7
217.05009	0.5
218.05775	0.8
228.04211	0.9
229.04977	2.4
245.04480	1.1
246.05260	1.1
256.03699	0.4
257.04413	1.8
273.04047	1.2
274.04669	3.3
285.03961	3.9
302.04230	11.7
317.06580	100.0
318.07065	2.0
359.21933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77551	1.6
53.03942	2.4
55.01872	3.5
55.05500	7.0
63.40128	1.6
65.03934	2.5
67.05514	10.4
67.06149	1.6
69.03427	2.0
69.07055	7.0
70.86284	5.4
71.07353	3.1
79.05494	18.7
81.03415	6.1
81.07059	17.6
83.04990	3.8
83.08611	3.3
86.09692	11.7
87.10025	3.6
91.04967	2.7
91.05486	30.3
93.07056	19.6
95.04967	8.3
95.08622	14.6
97.06539	2.4
103.05447	3.3
105.06393	3.2
105.07042	46.3
107.04948	5.9
107.08597	18.2
109.02885	6.1
109.06555	3.6
109.10161	4.9
114.47888	1.9
115.05451	6.5
116.06262	2.7
117.07012	16.2
119.08587	99.1
121.06502	5.0
121.10137	7.0
123.04439	4.2
123.08057	3.3
123.11674	2.6
124.99986	4.9
128.06242	10.4
129.07010	19.6
131.08569	32.2
133.06465	2.4
133.10138	20.5
135.08035	6.6
135.11647	4.6
141.06984	15.4
142.07799	28.4
143.08575	29.4
144.09348	7.0
145.06470	7.7
145.10135	26.8
147.08043	5.2
147.11688	6.4
149.13255	3.5
151.07562	3.2
152.06212	2.1
153.07005	18.1
154.07750	4.8
155.08560	51.7
156.09346	7.5
157.10138	85.2
158.07300	2.4
158.10794	2.6
159.08052	8.8
159.11693	26.8
161.09598	5.7
161.13249	10.1
163.01561	3.6
163.07562	2.5
163.14813	3.8
165.06967	5.7
166.07773	6.2
167.08563	15.7
168.09351	49.7
169.10155	14.8
170.10924	3.3
171.08057	7.6
171.11726	8.7
173.05975	2.2
173.09630	9.6
173.13255	13.3
175.07547	2.4
175.11150	3.6
178.07756	5.1
179.08585	2.5
181.06491	5.0
181.10114	22.4
182.10710	1.8
183.08076	3.9
183.11705	100.0
184.08850	2.1
184.11960	3.0
185.09616	6.9
185.13271	9.8
187.07515	2.2
187.11157	7.4
187.14812	4.2
189.09047	2.6
189.12782	2.2
193.10141	29.2
195.07957	3.9
195.11670	5.7
196.08826	10.4
197.09576	6.0
197.13336	2.5
199.11230	11.2
199.14786	6.7
200.34927	1.8
201.09134	2.4
201.12788	16.8
201.16467	2.8
205.12193	3.2
207.11771	2.1
209.13278	2.0
211.11179	56.6
211.14594	2.0
213.12694	3.9
213.16414	6.4
215.10718	3.7
215.14317	4.0
217.15849	6.4
219.70326	2.0
225.09270	2.1
227.10654	2.9
229.12256	48.9
231.13759	3.4
231.17436	7.2
233.15363	2.9
243.10159	4.9
243.14024	2.0
245.11726	3.8
302.04205	1.9
313.14359	2.7
339.28937	7.0
415.26349	3.7
419.25543	1.9
420.26273	2.3
433.27365	4.1
443.25732	7.1
461.26993	18.0
479.27643	18.2
479.34085	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	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.46712	0.3
51.56933	0.3
54.11158	0.3
57.03431	0.5
61.02649	0.4
61.02932	6.9
69.03420	0.9
70.69296	0.4
70.69627	0.7
73.02906	1.3
74.37545	0.3
79.93833	0.4
85.02917	5.4
91.03960	3.8
92.02605	1.3
93.03386	1.5
97.00445	0.4
97.02898	2.8
99.04428	0.4
106.95551	0.3
118.69261	0.3
119.85182	0.3
121.02847	1.0
124.97198	0.3
127.03848	0.6
139.03905	1.0
151.03880	0.4
153.01842	5.9
165.01862	0.6
201.05692	0.5
217.04974	0.5
228.04204	1.2
229.05042	2.7
231.03087	0.5
245.04500	1.0
246.05276	1.5
257.04556	2.5
260.03223	0.4
273.03949	1.4
274.04721	3.6
284.03268	0.5
285.03973	4.3
302.04236	10.8
317.06570	100.0
318.07077	2.1
364.86264	0.4
381.83920	0.4
426.43588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01875	0.6
57.03440	0.9
59.04990	0.2
61.02929	1.8
65.03938	0.3
67.70612	0.1
68.99797	0.2
69.03432	3.6
69.26894	1.2
71.04980	0.5
73.02895	0.6
81.03422	1.9
83.01380	0.1
85.02910	9.8
87.04446	0.5
91.03956	0.3
92.02621	1.0
93.03404	1.1
97.02899	3.4
99.04449	0.6
109.02867	1.1
111.00829	0.2
121.02869	1.0
122.03651	0.2
126.03131	0.4
127.03915	1.9
132.38293	0.1
137.02356	0.3
137.05969	0.1
139.03896	1.1
145.04968	1.7
145.06075	0.2
145.06551	0.1
148.05132	0.1
148.08499	0.1
151.03923	0.8
153.01833	8.3
153.82681	0.1
163.03897	0.1
165.01805	0.7
166.02621	0.2
177.05554	0.3
183.02965	0.2
183.04430	0.1
200.04709	0.3
201.05455	0.7
203.03409	0.5
217.04996	1.0
218.05843	0.6
219.02863	0.2
228.04167	1.7
229.04965	3.8
231.02878	0.4
239.03310	0.2
245.04440	1.3
246.05234	1.9
256.03671	0.2
257.01843	0.1
257.04446	2.5
260.03159	0.4
261.07526	0.4
271.06140	0.3
273.03909	1.9
274.04712	4.1
284.03116	0.6
285.03940	4.9
288.06296	0.2
301.03293	0.1
302.04218	13.2
303.04590	0.2
315.04443	0.1
316.05850	0.2
317.06558	100.0
318.06909	1.5
329.06558	0.6
341.06729	0.2
359.07620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01877	1.7
55.05514	5.5
55.13522	1.0
56.05038	5.9
57.03426	2.7
57.07072	2.7
58.06603	1.0
60.04530	94.2
61.02913	3.5
65.03934	2.1
66.92753	0.9
67.05510	11.1
68.02316	1.0
68.05016	1.3
69.03439	7.7
69.07073	7.4
69.85304	1.5
69.85698	2.4
70.06586	1.3
71.04990	1.5
71.08659	0.9
72.04510	3.7
73.02913	1.4
74.06080	6.8
79.05492	6.9
80.04997	1.0
81.03410	3.8
81.07056	10.7
82.06573	2.1
83.04967	1.7
83.08620	4.9
84.04502	4.4
85.02911	13.9
86.06089	4.0
90.05547	2.1
91.03964	0.9
91.05493	6.8
93.07063	5.1
94.06597	0.9
95.04965	2.0
95.08609	10.8
97.02905	7.0
97.06528	1.5
97.10170	2.0
98.06050	1.3
99.04451	1.9
102.05526	5.2
104.07110	2.1
105.07052	6.0
107.04951	1.7
107.08587	3.7
109.02861	1.8
109.06556	1.1
109.10158	4.1
111.04433	2.9
112.07640	1.1
114.38474	0.8
117.06999	1.1
119.08563	4.4
121.10170	3.0
123.11703	0.9
125.05995	2.4
125.09623	1.0
126.84602	1.0
127.03921	2.9
129.06963	1.7
129.11157	0.8
131.08591	3.4
133.10135	2.6
135.11676	1.9
137.05988	20.4
141.07072	1.3
143.08539	2.1
145.04924	1.0
145.10178	1.7
147.04445	1.3
147.08028	1.2
153.05463	3.7
155.08566	1.3
157.10266	1.3
159.08121	1.6
159.11723	2.8
160.11986	1.3
173.09662	1.0
173.13297	1.1
175.11211	1.2
180.07787	6.5
188.09245	1.3
189.12807	1.0
199.11320	1.3
201.12799	1.8
204.08720	1.0
206.10300	3.5
211.11234	0.9
215.14384	1.1
222.09784	1.3
223.32545	0.9
224.11308	5.9
229.12222	1.5
229.15933	1.2
230.16252	2.1
231.45287	1.0
251.00270	2.4
262.25372	2.2
268.26523	1.1
280.26364	10.8
293.04858	0.8
298.27380	12.4
298.30658	1.1
316.28482	100.0
317.28787	2.7
321.41678	1.0
358.29333	6.1
424.30524	1.0
442.31482	3.6
444.10336	0.9
460.25769	2.9
460.32614	4.4
478.27179	4.1
478.33759	42.8
479.28510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98685	0.7
53.03934	1.1
55.01880	0.7
55.05509	3.8
63.96696	0.7
65.03943	0.8
67.05519	3.8
69.03434	4.9
69.07084	1.2
69.28686	5.6
79.05492	6.7
81.06585	0.9
81.07062	14.5
83.04980	0.6
85.36754	0.7
91.04963	1.0
91.05492	13.6
93.07053	8.5
95.04987	1.7
95.08613	7.0
97.06532	0.7
98.20730	1.5
103.05465	2.3
105.07044	27.2
107.04948	1.3
107.08002	0.8
107.08615	5.2
109.10144	1.3
115.05476	2.7
117.07028	8.0
119.04878	1.2
119.08592	18.7
121.06503	2.9
121.10143	2.1
123.11726	0.7
128.06219	6.7
129.07013	15.3
130.07791	1.0
131.08582	18.7
131.10085	0.9
133.06511	3.8
133.10146	4.8
134.10515	0.7
135.08119	0.9
137.05962	2.0
141.07002	3.1
142.07797	11.2
143.08575	32.6
144.09383	2.9
145.06528	1.7
145.10130	17.9
147.08089	5.3
147.11774	1.4
149.13287	0.9
151.07556	15.7
153.06969	1.8
154.07782	0.9
155.05919	0.8
155.08562	15.1
156.09372	6.9
157.06523	12.8
157.10141	50.1
158.10587	0.7
159.08080	2.4
159.11702	16.6
161.05978	1.4
161.09550	0.9
161.13290	4.7
163.07529	3.2
165.07002	11.0
166.07758	1.1
167.08572	3.8
168.09370	2.4
169.10117	6.6
170.10931	14.2
171.08080	7.4
171.11676	6.0
173.13300	1.4
175.07568	9.8
177.09138	0.9
179.08536	1.8
180.09348	13.8
181.10028	1.6
183.11699	4.7
185.09859	2.9
185.13277	100.0
186.13623	2.0
187.14839	4.6
189.09122	4.0
193.10184	1.2
195.11713	46.4
196.12000	0.9
197.13293	1.4
198.10423	1.3
201.12665	1.1
203.10561	1.0
203.14365	1.4
207.11713	1.0
209.13237	1.3
211.11200	1.1
211.14885	1.0
213.12758	64.7
214.13150	1.1
215.14378	1.2
219.13641	0.7
223.14813	1.0
229.12247	2.0
231.13824	35.3
232.14311	0.7
243.13867	1.1
281.97406	0.6
356.41531	0.6
397.25424	1.1
399.26865	0.8
415.26248	5.7
425.24777	1.2
443.25931	6.3
461.27048	4.5
496.94855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.74908	1.2
55.05516	10.4
57.03432	3.9
61.02034	1.3
62.06096	29.7
64.61569	1.2
67.05510	21.5
69.07069	13.3
69.65681	8.0
79.05495	7.3
81.07065	25.2
83.08614	5.5
91.05470	4.4
91.31450	1.2
93.07070	7.6
95.08614	17.8
96.57040	1.2
97.06559	2.0
97.10195	2.1
98.06049	1.9
98.98484	7.8
105.07014	5.1
107.08602	3.8
109.10143	6.7
119.08604	3.0
121.10160	2.6
123.11672	2.5
133.10152	2.6
135.11700	3.5
137.20181	1.5
149.13275	1.9
155.01068	6.3
161.13193	2.9
163.14792	2.1
173.02063	1.8
176.71837	1.4
177.16257	1.5
198.05208	1.6
205.60336	1.3
216.06296	3.1
232.43391	1.3
263.23679	6.4
282.67792	1.5
306.27936	12.6
337.27380	100.0
460.28177	2.5
478.29596	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.8
55.05495	3.0
55.74038	3.3
55.81697	2.6
57.07080	4.3
67.05500	9.5
67.79453	2.7
69.03416	3.4
69.07070	3.6
79.05495	14.9
81.07057	17.7
91.05479	20.6
93.07059	23.9
95.04955	5.3
95.08639	14.8
103.05457	6.5
105.07037	62.8
105.26690	3.2
107.08596	13.5
109.06471	3.8
109.10136	5.5
115.05509	4.1
117.07003	12.7
119.08601	30.8
121.10157	8.7
128.06232	10.3
129.07028	14.5
131.08572	32.4
133.06471	7.2
133.10129	11.4
137.05937	4.1
141.06995	8.4
142.07803	18.3
143.08574	39.6
145.06511	3.4
145.10158	22.0
147.08051	4.6
147.11691	5.4
151.07539	47.6
153.06935	3.1
155.08562	13.2
156.09363	7.9
157.06636	3.2
157.10136	63.9
159.08080	3.6
159.11696	33.9
161.05960	4.3
165.07083	6.6
165.09149	3.4
167.08562	6.1
168.09372	5.0
169.10168	12.7
170.10916	15.0
171.08078	5.3
171.11728	15.2
173.13344	4.5
175.07651	4.6
175.11212	3.5
180.09328	7.9
181.10127	9.0
183.11746	18.6
185.13269	100.0
185.14876	6.5
186.13628	3.9
187.14864	5.9
195.11679	45.7
196.12337	3.1
197.13188	5.0
198.10385	3.5
199.11252	9.6
201.12753	4.8
205.10216	3.5
209.13225	4.9
211.11119	5.0
213.12761	63.4
214.13548	3.4
215.10779	4.0
215.14360	4.6
223.14822	3.5
227.10661	4.1
229.12157	10.1
229.54057	3.4
231.13792	25.1
233.13190	4.3
257.15338	3.9
415.26355	37.2
425.24786	10.6
443.20032	5.7
443.25848	74.2
461.26880	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	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03949	1.0
55.01862	0.8
55.05516	10.8
57.03443	7.1
57.07068	1.3
62.06041	0.4
65.03938	0.8
67.05508	25.8
69.07072	15.9
70.89988	0.6
70.90324	0.8
71.04970	0.7
71.08633	0.8
79.05499	7.3
81.07059	25.5
83.04985	1.4
83.08617	6.6
85.06544	1.0
91.05480	5.4
93.07041	7.6
95.04974	0.9
95.08612	18.0
97.06528	1.5
97.10178	3.5
98.06034	0.7
98.98492	0.4
99.08119	0.5
105.07043	5.7
106.07324	0.4
107.08604	4.3
109.10168	6.6
111.08064	0.9
111.11737	1.0
117.06953	0.4
118.66349	0.3
118.67217	0.4
119.08597	4.0
120.08836	0.4
121.06483	0.4
121.10141	2.9
123.08051	0.4
123.11701	3.4
124.01598	0.6
129.07025	0.6
131.08565	0.9
133.10136	2.9
135.08075	0.6
135.11694	1.6
137.13234	1.2
142.07756	0.4
143.08501	0.6
145.10101	1.0
147.11707	1.6
149.13268	0.9
151.14844	0.5
155.08542	0.4
157.10114	0.9
159.11684	1.1
161.13263	1.8
163.14827	0.9
166.78394	0.4
175.14815	0.8
181.10100	0.5
183.11723	0.8
184.12077	0.5
185.13271	0.7
188.32759	0.4
197.09924	0.4
216.06290	0.5
245.22774	0.6
263.23730	1.4
306.27933	6.4
337.27380	100.0
338.27789	2.0
460.25723	0.7
461.26624	0.5
478.26743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.1
57.07076	8.2
65.03939	2.7
67.05509	43.7
69.07073	30.5
69.57050	7.5
69.57481	6.7
71.05001	15.5
71.08634	4.8
79.05489	25.7
81.07063	100.0
83.08629	11.2
91.05481	25.6
93.07053	81.6
95.05000	6.5
95.08613	94.9
97.06523	3.1
97.10181	11.4
105.07034	54.0
107.08603	60.3
109.06535	8.4
109.10165	55.2
111.08084	13.0
111.11755	7.7
113.09641	5.4
117.07022	7.5
119.06174	2.5
119.08588	86.8
120.15360	2.4
121.10153	52.2
123.08051	4.2
123.11716	26.7
127.07556	2.6
131.08588	18.9
133.10139	34.5
133.11052	2.2
135.11707	30.3
137.06020	2.1
137.09570	5.1
137.13307	6.7
139.07584	5.0
143.08620	8.1
144.09381	2.8
145.10132	29.2
147.11703	33.1
149.13268	45.2
151.07562	3.0
157.10123	15.8
159.11714	41.8
161.13266	33.2
163.14835	23.6
164.75600	2.1
169.10161	3.0
171.11732	8.4
173.13275	19.5
175.14856	17.8
177.16422	9.0
179.14345	4.7
183.11710	3.1
185.13287	7.6
187.14801	17.2
189.16402	15.1
191.18037	8.2
197.13298	3.9
199.14900	10.8
201.16341	14.0
203.17961	18.6
205.15961	2.9
205.19493	3.0
211.14700	2.7
213.16443	9.2
215.17972	15.1
217.19525	29.3
225.16560	3.4
227.18039	8.4
229.19586	9.8
231.21172	8.7
239.17970	4.4
241.19644	3.5
243.21132	4.5
245.22820	3.1
255.21111	4.9
257.22720	8.7
259.24258	3.4
267.21265	3.4
269.22574	4.2
271.24246	3.6
281.22708	3.0
283.24326	4.1
285.25864	7.6
297.25751	5.1
299.27554	4.2
321.39069	2.3
325.29108	5.3
327.30569	7.0
395.32684	3.0
419.36520	12.1
445.37021	8.9
459.39871	14.0
477.40994	76.1
493.54535	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	477.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02676	6.6
53.03941	14.2
53.24296	6.1
53.40725	8.1
53.56583	6.2
55.01878	10.0
55.05519	46.4
57.03436	12.0
66.06919	7.2
67.05506	55.8
69.03419	12.3
69.07075	21.2
69.89941	28.4
79.05490	57.0
81.03442	33.8
81.07056	80.5
83.04996	17.3
83.08629	16.2
88.34502	7.3
91.05489	91.4
91.80405	7.0
93.07054	62.1
93.48993	6.7
95.04963	25.5
95.08619	42.4
97.02850	7.3
97.06513	12.9
97.10175	25.1
98.20810	8.8
103.05425	9.6
105.07043	91.0
107.04958	21.1
107.08603	43.8
109.02895	15.0
109.06531	13.6
109.10130	17.3
111.04483	9.3
117.07030	50.2
119.08599	96.4
121.06530	28.6
121.10169	17.6
123.11720	9.8
125.09605	14.7
128.06218	27.3
129.06999	49.3
130.07851	12.6
131.04970	8.5
131.08557	88.1
133.10165	45.0
135.08067	14.7
135.11768	13.9
137.05989	16.2
137.09660	9.3
141.07021	33.9
142.07782	36.9
143.08597	63.2
145.06493	19.9
145.10152	63.3
147.04454	14.5
147.08066	14.1
147.11725	13.0
149.05972	9.9
149.09593	16.6
151.07584	9.1
153.06978	16.8
154.07776	16.0
155.08574	80.0
157.10167	97.3
159.08075	17.0
159.11713	45.6
161.09644	21.3
162.89272	8.2
165.06993	16.8
165.09108	13.0
166.07829	12.0
167.07129	13.1
167.08595	25.5
168.09351	50.5
169.06461	9.9
169.10109	45.4
171.08058	18.6
171.11650	23.8
173.09691	17.1
173.13223	18.0
175.11195	13.4
177.09166	13.4
179.08600	8.5
179.10611	10.4
181.05043	13.1
181.06595	9.7
181.08684	7.6
181.10155	30.1
182.10878	9.2
183.11699	100.0
185.09653	17.7
185.13290	30.8
187.11218	27.6
187.14751	8.2
189.09178	10.0
189.11243	7.2
189.12794	10.2
193.10202	29.2
193.12199	13.0
195.11713	22.0
197.09654	12.8
197.13245	20.7
199.11227	30.5
201.09081	9.5
201.12756	21.0
205.12273	20.2
207.11719	16.1
209.09685	12.2
209.13405	8.6
211.11214	72.8
211.14769	10.3
213.08987	7.4
213.12773	27.3
215.10805	8.9
215.14305	18.5
217.12285	10.1
220.12605	7.5
223.11261	9.4
225.12714	11.0
227.10655	20.1
229.12260	74.4
231.13866	16.1
243.10181	9.6
245.11610	8.0
265.16003	7.7
273.15152	8.8
330.02484	6.8
349.21747	9.6
367.22675	33.7
385.23901	39.4
395.23770	19.9
403.24448	9.9
413.24771	32.0
423.23227	27.4
431.26117	22.0
441.24664	50.5
459.25598	75.8
459.34439	6.3
477.27090	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
54.35806	1.2
55.01857	5.3
55.05511	7.2
65.03936	3.3
67.05510	12.4
69.03424	3.6
69.07054	3.9
70.98234	1.4
70.98561	2.3
71.05006	2.5
79.05500	15.4
81.03420	2.5
81.07069	15.1
81.39836	1.1
83.04988	7.8
85.06513	1.6
91.05489	18.5
93.07043	14.1
93.08344	1.3
95.04955	5.6
95.08596	9.2
95.44979	1.2
97.06544	3.4
97.10160	2.2
103.05505	2.0
105.07039	29.1
105.07748	1.5
107.04951	5.0
107.08604	15.1
107.47121	1.3
109.06519	4.6
109.10154	4.0
111.08099	1.4
115.05454	4.1
117.07022	15.1
119.04958	2.4
119.08585	36.6
121.06484	9.9
121.10150	5.9
123.08083	1.9
125.09640	1.8
128.06227	5.9
129.07010	16.6
130.07768	4.2
131.08580	26.0
133.06505	3.2
133.10139	10.3
135.08087	11.8
135.11633	1.9
137.05913	1.8
141.07018	11.7
142.07816	13.0
143.08565	25.4
144.09340	3.1
145.06471	8.7
145.10136	30.7
145.11279	1.9
147.08063	12.1
147.11674	5.4
149.09624	1.8
149.13251	3.0
152.06325	1.7
153.07008	5.9
154.07779	7.2
155.08560	28.6
156.09354	13.2
157.06512	4.5
157.10147	29.1
158.07297	2.1
159.08060	15.5
159.11700	29.2
160.08894	1.6
161.09622	6.2
161.13240	3.0
165.07027	4.7
166.07811	3.6
167.08540	15.7
168.09328	6.2
169.06432	2.2
169.10136	27.3
170.07324	2.9
171.08060	14.6
171.11691	17.6
172.08810	2.0
173.09631	12.4
173.13268	8.1
175.07538	2.1
175.11217	5.5
177.12775	6.9
178.07841	2.2
179.08562	7.0
180.09363	2.4
181.06467	1.8
181.10095	14.0
182.07350	3.0
182.10936	12.5
183.08070	5.5
183.11681	12.9
184.08815	7.5
185.09645	18.9
185.13301	7.7
187.11230	5.4
187.14842	8.5
189.12820	2.6
191.08479	2.2
193.10196	4.1
193.12244	1.8
194.10902	3.5
195.08133	7.5
195.11737	7.2
196.08804	2.2
196.12535	1.7
197.09650	22.2
197.13263	33.1
198.10420	2.0
199.11185	22.8
199.14833	5.1
201.09114	3.2
201.12787	4.5
203.10750	2.2
203.14320	1.5
205.10164	1.9
207.11722	3.2
208.08717	1.9
209.09723	6.2
209.13266	14.6
210.10480	1.6
211.11197	11.9
211.14833	13.8
213.09116	4.8
213.12811	5.6
215.10855	2.4
215.14322	49.6
217.12312	2.3
219.08037	1.6
221.09636	3.4
221.13271	4.4
223.11227	5.8
224.12021	1.8
225.09196	5.4
225.12788	5.9
227.10646	8.5
227.14259	11.8
229.12299	2.0
229.15871	12.5
233.09741	2.5
233.15379	17.4
234.10492	2.9
235.11278	3.4
237.12846	2.1
239.10703	4.6
239.14288	6.8
241.08669	3.2
243.10152	23.2
245.11737	40.3
245.15393	6.8
249.12752	6.5
255.13707	1.6
257.11856	1.6
259.13306	5.4
265.12247	2.4
267.13837	12.3
285.11185	1.6
287.12616	1.7
313.14349	12.5
385.23892	3.9
413.25027	2.7
423.23349	1.8
431.25864	3.0
441.24286	16.6
459.25293	34.7
477.26410	100.0
478.26303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
55.01874	9.1
55.05512	10.9
56.61869	2.5
57.42056	2.5
65.03949	5.5
67.05511	23.5
69.03425	7.1
69.07073	7.2
71.55928	5.2
79.05497	40.7
81.03414	7.2
81.07063	73.9
83.04954	4.8
91.05491	58.4
93.07055	57.2
95.04974	18.3
95.08615	30.2
97.06523	3.7
103.05466	6.8
105.04552	3.5
105.07041	88.4
106.07403	3.3
107.04945	8.2
107.08598	41.3
109.02935	4.1
109.06554	7.5
109.10176	8.9
115.05464	9.9
117.07027	34.3
117.19187	2.8
118.18199	2.8
119.04890	4.8
119.08592	62.0
121.06522	13.0
121.10152	25.7
123.08066	3.5
123.11700	3.6
128.06238	22.8
129.07025	37.0
130.07771	4.5
131.04945	3.1
131.08585	69.8
133.06519	8.6
133.10130	26.9
135.08060	10.8
135.11694	11.3
141.06978	14.6
142.07790	25.1
143.08566	93.9
144.05692	6.1
144.09364	11.4
145.06470	15.0
145.10130	54.7
145.11266	4.0
147.08052	17.6
147.11676	13.4
149.06012	9.7
151.07535	5.0
153.06998	11.9
154.07770	3.7
155.08556	23.8
156.09319	14.5
156.30328	3.3
157.06543	8.3
157.10146	59.1
158.07291	5.5
158.10878	4.1
159.08058	21.8
159.11717	78.6
161.06029	3.7
161.09615	7.2
161.13264	29.4
163.14828	10.5
163.85429	3.6
165.06985	14.1
166.07826	9.0
167.08607	14.8
168.09348	6.4
169.06425	5.2
169.10164	27.9
170.10919	8.0
171.08092	23.4
171.11703	32.0
172.08882	5.3
173.06033	4.1
173.09663	13.7
173.13280	29.6
175.07571	9.8
175.11168	4.3
175.14844	9.7
177.09143	5.2
178.07753	6.4
179.08572	15.2
179.14178	3.1
180.09270	6.9
181.10147	26.6
182.10945	7.7
183.08076	12.9
183.11726	25.6
184.08821	9.6
184.12558	4.8
185.06035	4.0
185.09677	16.0
185.13239	23.3
187.07570	6.1
187.11200	10.5
187.14850	25.0
189.09126	2.9
189.12703	4.9
191.10693	3.6
192.09366	7.3
193.10141	10.7
194.07098	3.2
194.10858	6.0
195.08047	7.6
195.11690	19.2
197.09634	16.4
197.13306	24.4
198.10474	4.2
199.07552	5.0
199.11186	28.5
199.14839	100.0
201.12703	14.6
201.16386	7.8
203.06998	5.0
203.10637	3.7
205.10188	7.2
205.15854	4.4
206.11055	4.1
207.11754	10.4
208.08806	5.6
209.09671	15.4
209.13286	25.4
211.07558	3.8
211.11159	9.7
211.14830	9.1
213.09146	5.9
213.12767	16.3
215.10742	5.8
215.14320	10.3
217.15955	8.2
219.11737	5.0
221.13321	7.3
223.11287	14.1
225.09152	7.1
225.12833	6.9
227.10745	20.6
227.14281	35.0
229.12279	8.4
233.13326	6.3
233.15430	16.2
235.11237	4.1
237.09097	3.6
239.14343	3.9
241.12291	9.1
245.11710	24.2
245.15471	7.8
247.11186	4.3
249.12624	4.2
251.10701	12.7
253.12160	6.2
257.11572	4.4
259.13327	22.1
269.11636	28.1
283.13336	3.8
287.12897	5.1
295.13306	8.0
297.11343	6.2
297.14828	3.3
313.10730	9.7
315.12244	50.4
363.19537	5.8
379.18524	3.1
385.25424	4.4
391.19128	6.3
395.23633	4.4
413.24857	18.1
415.26572	21.9
423.23123	3.5
431.25821	69.6
441.24249	21.5
449.27005	6.6
459.19229	6.1
459.25345	80.2
477.26367	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
55.05505	11.0
65.03937	3.5
67.05506	20.2
69.03424	4.8
69.07055	12.1
69.26884	4.1
69.47982	13.1
69.48407	15.5
79.05510	31.3
81.07069	29.1
83.04993	4.1
83.08618	4.9
91.05481	57.9
91.41446	4.2
93.07058	29.0
95.04982	49.6
95.08633	24.3
97.06544	8.7
98.20737	4.6
98.21291	12.5
103.05466	9.1
105.07042	97.6
107.08606	31.3
109.06527	37.7
109.10147	5.9
111.08082	13.7
115.05425	6.6
116.06223	6.0
117.07011	29.0
119.04977	5.7
119.08582	56.5
121.06525	26.1
121.10135	10.0
123.08060	6.7
128.06230	15.3
129.07036	22.2
131.08586	45.5
133.06468	23.2
133.10120	14.7
135.08080	68.6
141.06992	10.6
142.07802	22.2
143.08575	45.0
144.09352	7.0
145.06430	5.9
145.10130	41.3
147.08055	9.9
147.11670	14.1
149.09602	5.9
149.13263	5.0
151.07542	62.3
153.06979	13.9
154.07764	7.3
155.08592	26.7
155.74620	3.9
156.09337	13.4
157.10146	78.6
159.08072	20.3
159.11723	32.8
160.08791	7.3
161.09583	7.3
163.07523	11.2
165.07011	11.6
165.09134	7.5
166.07822	5.6
167.08569	12.1
168.09348	22.6
169.10114	21.8
170.10925	22.6
171.08058	10.6
171.11725	25.3
173.05991	14.3
173.09659	15.4
173.13240	21.7
175.07614	6.9
175.11209	27.2
177.09093	4.8
179.08551	5.1
180.09348	9.1
181.10120	17.4
183.11723	49.6
185.09634	9.3
185.13263	72.5
187.07550	4.6
187.11230	8.3
187.14838	4.3
189.09105	7.3
191.10593	3.6
193.10112	13.9
195.11679	19.0
196.08847	6.4
197.09613	8.2
197.13310	14.4
198.10399	5.0
199.11226	5.7
201.12764	27.6
203.14371	3.8
207.11647	7.0
209.09619	5.3
209.13249	7.1
211.11195	41.3
211.14720	3.8
213.12770	41.6
215.10713	4.3
215.14383	6.0
217.12251	8.8
221.13293	7.1
225.12671	5.7
227.10654	5.1
229.12271	46.2
231.13773	12.7
241.12268	6.7
243.13745	8.5
247.13283	48.4
277.77869	3.9
293.15451	5.1
309.18237	4.7
333.18668	4.0
347.19977	5.7
385.25098	7.4
413.24719	16.1
423.22946	5.6
431.25854	35.1
441.24258	17.2
459.25354	49.6
477.26413	100.0
477.32257	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	477.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.05513	6.6
60.01417	2.8
65.03934	3.8
66.94257	3.0
67.05509	14.7
69.03418	4.1
69.07063	4.4
69.59848	15.0
69.60256	5.6
71.40290	2.8
79.05495	28.1
79.74149	2.4
80.33846	2.4
81.03400	4.4
81.07078	17.4
83.95998	2.4
91.05488	47.5
93.07050	26.2
95.04951	8.4
95.08604	13.4
97.02872	3.3
103.05431	4.9
105.06388	5.3
105.07039	66.4
107.04952	5.0
107.08619	15.6
109.06509	5.4
109.10191	3.2
115.05415	11.2
117.07037	24.8
119.08588	62.9
121.06518	9.9
121.10093	3.5
128.06226	22.7
129.07005	34.1
130.07808	4.2
131.08554	33.3
133.06491	9.7
133.10129	15.5
135.08051	8.4
141.06985	29.6
141.81041	3.1
142.07796	26.9
143.08562	50.1
144.09235	3.0
145.06471	7.4
145.10147	37.1
147.08070	11.3
147.11713	6.3
149.06017	5.2
149.09616	3.2
151.07571	9.8
153.07007	17.2
154.07784	12.1
155.08560	68.6
156.09343	9.9
157.06461	6.4
157.10149	69.8
159.08052	9.7
159.11682	17.3
161.06017	3.6
161.09605	4.2
163.07532	5.6
165.07001	16.0
166.07788	9.6
167.08606	23.9
168.09354	41.9
169.06438	5.4
169.10143	37.8
170.10872	5.8
171.08151	4.9
171.11729	43.3
172.08711	3.1
173.09593	9.5
173.13281	6.5
175.07527	5.4
175.11220	4.8
178.07777	14.0
179.08621	13.7
180.09323	6.7
181.06509	7.0
181.08955	2.9
181.10178	36.5
182.10896	6.4
183.08102	8.2
183.11703	100.0
184.12268	4.4
185.09612	6.5
185.13242	14.9
187.11200	7.3
187.14841	3.6
189.12726	6.6
191.08495	5.6
191.10623	4.8
192.09314	8.4
193.10184	28.7
195.07980	4.4
195.11736	20.6
196.08664	7.0
197.09592	12.9
197.13254	32.9
199.11206	33.2
199.14880	6.1
201.09026	4.0
201.12709	14.9
205.10085	6.2
207.07945	3.3
207.11679	14.1
209.09576	7.4
209.13216	9.7
211.11192	67.1
213.12718	7.7
215.10791	3.6
215.14423	6.5
217.10254	5.3
217.12299	7.3
219.11653	6.5
221.13251	5.8
223.11201	7.7
225.12759	59.0
227.10771	6.5
227.14172	3.5
229.10257	2.9
229.12241	68.2
231.11729	3.8
231.13675	6.0
233.13234	7.0
235.11230	5.0
235.14816	4.1
237.12698	7.7
241.12131	4.5
243.13788	16.5
245.13293	3.6
251.14102	3.8
261.12671	5.1
263.14246	4.4
279.17322	3.3
281.15634	4.2
293.15439	3.9
301.15811	3.3
307.17007	4.7
365.76547	2.7
377.22858	4.6
383.80801	3.6
385.24500	3.4
395.23578	17.9
405.22141	6.4
413.24753	22.5
423.23230	32.7
431.25595	14.1
441.24197	36.2
459.25308	54.3
477.26672	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.9
57.03431	4.2
58.04495	1.7
62.06091	32.6
67.05506	35.8
69.07072	11.0
69.35985	14.4
69.36408	3.4
74.09684	3.0
79.05504	19.7
81.06642	2.6
81.07064	28.9
83.04993	2.4
83.08620	4.0
91.05489	11.5
93.07047	21.5
95.04974	3.4
95.08617	25.0
97.46642	1.6
98.06058	5.3
98.98469	9.8
105.07016	6.5
107.08593	11.8
109.06538	2.1
109.10139	5.7
117.07037	2.3
119.08570	8.5
121.10159	9.6
123.11713	2.6
129.06865	1.6
131.08600	3.3
133.10114	6.1
135.11679	5.7
145.10139	4.9
147.11617	2.3
149.13287	2.6
155.01080	3.0
157.10120	4.0
159.11642	3.0
159.20554	2.0
161.13231	2.6
168.91782	1.9
173.13202	2.3
183.11612	1.7
216.06371	5.0
222.15639	1.7
243.20969	2.2
261.16174	1.7
261.22079	6.1
266.98798	1.8
276.39310	1.6
304.26352	48.1
310.17761	2.0
335.25797	100.0
441.24240	1.9
457.68857	2.2
458.26230	2.5
460.84769	1.9
476.26199	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	476.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25471	4.6
53.03939	6.0
55.05508	11.0
59.60320	3.8
66.00983	5.3
67.05505	30.6
69.03409	4.3
69.07081	22.0
69.95583	19.8
71.94853	4.3
79.05505	54.2
81.07065	84.4
83.08597	5.6
91.05488	60.4
93.07052	59.0
95.04968	8.5
95.08627	41.0
97.06549	7.2
103.05455	4.2
105.07036	96.9
107.08607	39.4
108.08864	4.7
109.06514	4.4
109.10149	15.8
115.05463	9.7
117.07020	52.3
119.08591	81.8
121.06499	4.2
121.10143	18.4
128.06218	7.8
129.07014	30.6
131.08578	50.4
133.10153	32.5
135.04445	6.7
135.07996	5.1
135.11699	30.6
141.06972	20.4
142.07755	17.7
143.08568	27.2
144.09309	10.4
145.10136	42.6
147.11665	12.6
149.13312	6.5
153.06982	11.9
155.08577	27.9
156.09335	5.0
157.10141	49.9
158.10516	8.0
159.10448	7.9
159.11713	91.2
161.13275	88.4
163.07506	8.1
163.14786	5.8
165.07028	10.3
166.02283	5.1
167.08524	17.8
168.09377	6.5
169.10100	28.6
170.10570	4.6
171.11674	18.6
173.13242	10.2
179.08527	10.4
180.09264	5.3
181.10121	28.4
182.10776	5.7
183.11684	37.3
184.08786	7.0
184.12175	5.8
185.09697	5.2
185.13264	36.0
186.13583	5.1
187.11130	5.4
187.14777	7.4
189.09221	5.1
192.09328	5.7
193.10123	14.2
195.11682	24.5
197.13271	24.9
199.11150	5.9
199.14806	12.7
201.12665	5.6
203.10680	12.8
205.12164	19.9
207.11737	13.3
209.13217	15.5
211.11147	11.8
211.14868	11.3
212.11641	7.8
213.12711	6.6
213.16391	7.3
221.13260	14.4
223.14873	17.0
225.16374	14.0
227.10690	9.7
229.12280	23.9
230.12636	15.1
231.13676	6.1
235.14870	11.8
237.16464	24.8
239.17999	5.9
241.12210	5.8
249.16258	11.9
251.17915	10.8
263.17987	15.1
265.19482	4.8
277.19604	9.9
283.16879	9.1
285.18411	5.2
297.18515	33.9
303.07910	5.2
309.18475	16.2
319.24200	67.2
321.25735	6.5
337.25360	8.6
347.23907	10.3
349.35501	5.1
365.24802	100.0
399.42484	4.5
399.47906	4.4
412.23447	8.8
430.24634	10.6
458.23953	12.1
476.25052	17.7
477.26373	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05519	6.9
57.03443	6.5
65.03931	1.1
67.05508	27.4
69.03439	0.9
69.07070	6.8
70.94511	0.9
70.94849	0.9
71.04981	0.9
74.06796	0.6
79.05065	1.0
79.05499	13.7
81.07061	23.5
83.04955	1.2
83.08608	2.7
91.05484	8.6
93.07046	17.0
95.04955	1.9
95.08611	18.7
97.06535	1.0
97.10136	0.7
98.06052	0.7
98.98470	1.0
105.07030	4.2
107.08608	6.6
109.10166	6.7
117.07014	1.2
119.08600	3.7
121.10181	5.2
123.11679	1.7
131.08575	2.5
133.10126	2.1
135.11674	2.6
135.87703	0.6
145.10112	1.9
147.11717	1.7
157.10066	1.1
159.11711	1.4
161.13237	0.7
173.13351	0.9
175.11203	0.8
206.42990	0.6
216.06299	0.9
261.22275	0.8
275.67999	0.7
304.26407	3.9
335.25806	100.0
336.26218	2.3
430.25165	0.7
458.24185	1.0
476.25186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01855	1.5
55.05513	1.7
57.03444	15.0
61.02932	5.3
67.05515	1.3
68.26794	0.9
69.03133	1.1
69.03440	14.6
71.01337	2.1
71.05002	61.1
71.56535	1.7
73.02921	22.3
75.04465	3.3
79.05506	2.5
81.03415	2.7
81.07044	1.9
83.04989	5.7
85.02913	83.0
87.04468	3.0
91.05507	5.8
93.07041	3.7
95.04991	2.0
97.02897	19.2
99.04485	1.1
103.05487	1.5
105.07033	27.6
109.02888	2.2
109.10159	1.1
111.04439	3.7
115.03941	14.0
117.07015	2.7
118.07820	1.8
119.08566	1.7
121.10153	1.3
123.04462	4.9
127.03933	8.1
129.05496	31.6
129.06976	1.4
131.08554	1.6
133.04965	4.0
133.10144	100.0
134.10402	1.0
145.04968	5.3
145.06483	3.0
146.08133	1.5
147.06540	14.7
147.07954	6.5
147.11702	18.0
149.09665	8.3
151.03731	1.1
151.07578	1.5
162.07666	1.3
164.09160	6.2
165.09145	25.0
166.13480	1.2
175.11252	6.0
182.13251	1.1
187.11177	5.1
217.12228	5.5
223.05913	1.3
225.09360	1.2
243.13797	1.4
261.08871	1.1
279.15939	2.2
461.61462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47499	0.5
70.73562	0.5
70.73923	1.4
85.02891	0.8
88.44727	0.5
97.02879	0.6
98.21427	0.5
130.45622	0.6
149.52846	0.5
165.07031	1.6
166.07800	1.4
167.08714	0.7
177.06970	0.8
179.08566	2.9
180.09288	0.6
181.06502	1.3
181.10162	1.5
189.07037	1.6
190.07799	1.6
191.08572	12.9
192.09232	0.6
193.06459	1.2
194.07286	4.1
195.08058	2.1
201.06984	0.5
205.06532	4.5
207.08052	6.4
208.08792	2.9
209.09633	6.1
211.07565	0.9
217.06517	0.9
218.07268	1.7
219.08054	9.7
221.06023	1.9
222.06775	13.3
222.08949	1.0
223.07523	3.4
224.08368	1.1
225.09085	3.2
233.05971	3.9
234.06691	0.6
235.07564	2.2
236.08357	3.1
237.09123	17.6
239.07050	2.2
247.07550	4.3
249.05574	1.1
250.06247	3.5
251.07062	2.0
251.10577	0.6
252.07845	1.4
253.08601	2.5
254.09235	0.6
255.10214	1.2
263.07089	1.2
264.07709	1.1
265.08615	57.6
266.09244	2.3
267.06570	4.7
267.10168	7.7
269.08176	0.7
270.08798	2.7
279.10147	1.8
280.69589	0.5
282.08859	22.1
282.11240	1.1
283.09637	1.2
297.11230	100.0
298.11499	2.9
299.11530	1.9
314.13885	28.3
315.14316	0.8
440.17184	0.7
476.19138	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01855	1.5
55.05513	1.7
57.03444	15.0
61.02932	5.3
67.05515	1.3
68.26794	0.9
69.03133	1.1
69.03440	14.6
71.01337	2.1
71.05002	61.1
71.56535	1.7
73.02921	22.3
75.04465	3.3
79.05506	2.5
81.03415	2.7
81.07044	1.9
83.04989	5.7
85.02913	83.0
87.04468	3.0
91.05507	5.8
93.07041	3.7
95.04991	2.0
97.02897	19.2
99.04485	1.1
103.05487	1.5
105.07033	27.6
109.02888	2.2
109.10159	1.1
111.04439	3.7
115.03941	14.0
117.07015	2.7
118.07820	1.8
119.08566	1.7
121.10153	1.3
123.04462	4.9
127.03933	8.1
129.05496	31.6
129.06976	1.4
131.08554	1.6
133.04965	4.0
133.10144	100.0
134.10402	1.0
145.04968	5.3
145.06483	3.0
146.08133	1.5
147.06540	14.7
147.07954	6.5
147.11702	18.0
149.09665	8.3
151.03731	1.1
151.07578	1.5
162.07666	1.3
164.09160	6.2
165.09145	25.0
166.13480	1.2
175.11252	6.0
182.13251	1.1
187.11177	5.1
217.12228	5.5
223.05913	1.3
225.09360	1.2
243.13797	1.4
261.08871	1.1
279.15939	2.2
461.61462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01868	7.1
55.05516	35.9
57.03413	6.4
57.07074	5.2
59.04988	3.4
65.03954	4.1
67.05508	71.0
68.42066	2.7
69.03430	4.1
69.07072	32.2
71.05000	7.1
71.57870	4.8
72.74348	2.9
79.05498	42.3
81.07062	100.0
83.04980	8.0
83.08635	20.6
85.06520	3.8
91.05487	39.8
92.05808	3.0
93.06497	3.7
93.07056	50.9
95.04987	8.7
95.08611	77.2
97.06503	9.8
97.10172	27.6
98.69153	3.0
99.04481	3.1
103.05452	6.0
105.07028	43.8
107.04951	5.3
107.08609	50.1
109.06532	7.9
109.10159	41.3
111.08043	3.6
115.05523	4.6
117.07025	14.1
119.08573	33.5
121.06507	7.7
121.10137	28.0
123.08073	6.0
123.11710	17.2
125.09637	26.2
128.06203	9.5
129.07022	22.0
131.08582	28.9
133.06444	6.1
133.10135	21.9
135.08109	5.2
135.11667	21.3
137.09674	4.7
137.13255	6.4
139.11176	3.9
141.07040	7.9
142.07751	11.4
143.08568	24.6
143.10648	14.5
144.09236	4.4
144.56465	3.3
145.06453	5.0
145.10106	24.6
147.11687	12.3
149.09656	6.2
149.13274	9.9
151.07509	4.0
151.11171	4.3
153.12750	4.0
154.07704	6.3
155.08569	20.4
156.09352	4.6
157.06499	3.8
157.10139	28.5
159.08028	5.7
159.11725	20.8
161.09657	8.6
161.13203	12.1
163.11229	3.4
165.07082	7.0
167.08600	10.6
168.09320	9.6
169.10107	16.9
170.10802	3.6
171.08119	4.8
171.11682	14.0
173.09630	8.6
173.13303	10.8
175.11116	4.6
175.14702	4.8
177.09142	4.0
177.12781	3.6
178.07780	4.0
181.10168	15.4
182.10869	7.4
183.11664	25.2
185.09595	6.0
185.13289	10.8
187.11171	6.0
187.14835	5.8
191.10588	3.5
193.10161	7.0
195.07982	4.5
195.11697	13.4
195.13641	4.3
197.09601	9.1
197.13333	19.7
199.11147	8.5
199.14885	5.2
201.09167	4.7
201.12665	3.2
203.14244	3.3
205.10139	4.5
207.11711	4.4
209.09531	3.9
209.13322	4.4
209.15253	3.7
211.11160	11.3
213.12819	7.4
215.10747	4.7
215.14401	5.1
217.12303	3.2
223.14934	3.8
225.12744	10.4
227.10765	7.3
229.12274	18.6
243.13853	16.7
243.21103	7.4
261.22156	26.6
276.24014	3.2
278.09424	3.2
279.23206	69.7
283.69641	3.4
297.11066	3.5
297.24225	15.8
299.97223	3.2
375.97913	3.6
385.30966	10.6
400.75156	3.5
403.32034	27.4
411.23059	4.2
421.21442	4.0
421.33371	20.2
429.24155	13.5
439.23077	4.7
439.33948	10.8
457.23746	25.6
475.24722	31.1
475.35605	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	475.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.8
55.05502	14.1
55.89588	5.4
67.05499	23.9
69.03432	8.3
69.07069	15.5
70.01472	5.3
70.62408	5.8
71.06836	10.4
73.59212	5.1
79.05502	42.9
81.03443	10.5
81.07065	54.8
83.05003	9.0
83.08628	8.1
91.05495	56.4
93.07068	43.2
95.04971	17.5
95.08623	35.8
97.02921	5.6
97.10141	6.4
103.05473	5.3
105.07037	55.6
107.04965	9.7
107.08603	25.6
109.02881	6.8
109.06567	6.6
109.10158	19.6
115.05452	14.2
117.07021	26.1
119.04947	9.4
119.08590	45.2
121.06530	19.3
121.10143	17.7
123.11710	8.9
125.09681	6.1
128.06224	17.6
129.07030	34.4
131.08549	40.6
133.06506	12.7
133.10133	17.9
135.08076	9.7
137.05995	9.5
137.09596	5.7
141.07013	21.9
142.07776	15.5
143.08569	50.1
143.73103	5.3
145.06465	14.5
145.10158	31.0
147.08015	11.4
147.11647	10.4
149.05966	7.9
149.09589	7.6
151.07535	10.7
153.07033	15.4
154.07700	11.2
155.08536	39.8
156.09381	11.4
157.06551	6.1
157.10170	54.1
159.08057	6.7
159.11725	27.9
161.06027	7.9
161.09680	11.3
163.07573	8.1
163.11160	8.9
165.07048	10.8
165.09134	21.9
165.99661	6.1
166.07730	7.2
167.08594	22.7
168.09325	18.3
169.10133	33.2
171.08081	10.3
171.11703	30.8
173.09644	13.8
173.13161	6.2
179.08629	10.3
180.09357	6.9
181.10167	32.6
183.08061	9.9
183.11728	43.8
185.09636	13.6
185.13271	19.7
187.11220	12.7
191.21240	6.2
193.10205	13.3
195.11700	23.6
196.08923	12.0
197.09636	9.2
197.13246	13.2
199.11206	14.5
201.12897	5.8
205.12247	6.1
207.11800	7.0
209.09592	16.8
211.11209	33.1
213.12753	14.3
215.10638	8.8
217.12361	6.9
219.11768	6.6
223.11148	9.5
225.12759	16.5
227.10701	20.0
227.12628	8.3
229.12254	27.9
231.13795	7.7
233.13354	7.9
293.13080	8.1
377.21335	6.8
411.23077	20.0
421.21368	11.5
429.24203	23.2
439.22574	13.4
457.23843	55.1
475.25018	100.0
475.33951	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	475.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01877	1.5
55.05510	3.3
65.03928	1.6
67.05501	7.1
69.03427	1.5
69.07071	1.7
70.89278	1.8
70.89616	2.0
71.81902	1.0
79.05492	9.2
81.07070	6.9
83.08605	1.2
90.84561	1.0
91.05481	13.5
93.07073	7.7
95.04966	5.3
95.08614	5.0
105.07027	16.9
107.04972	1.9
107.08610	10.0
109.10139	1.4
110.04378	1.0
113.06030	1.6
115.05449	3.1
117.07027	6.2
119.08603	10.6
121.06504	3.5
121.10149	2.4
123.08066	1.1
128.06261	4.2
129.07021	7.6
131.08580	8.3
133.06468	2.8
133.10138	4.3
135.08061	100.0
136.08401	1.8
141.07025	4.4
142.07761	7.1
143.08598	10.2
145.06456	5.9
145.10136	18.1
147.08043	3.6
147.11694	3.3
149.09669	4.8
149.13353	1.1
151.07564	2.9
153.06961	5.9
154.07838	2.0
155.08563	10.1
156.09341	7.2
157.06519	2.0
157.10136	12.0
158.07277	8.8
159.08063	14.6
159.11728	7.1
160.08838	14.2
161.09622	15.7
163.07591	4.3
165.06993	5.2
166.07817	6.8
167.08560	4.1
168.09380	4.9
169.06467	3.9
169.10103	6.9
170.10901	1.6
171.08081	6.5
171.11699	6.8
172.08824	3.8
173.09636	57.5
173.13306	1.8
175.07503	1.5
175.11224	8.0
176.37169	1.2
177.09099	2.4
179.08609	4.0
180.09338	3.1
181.10109	8.6
182.07320	1.3
182.10904	1.7
183.08060	8.9
183.11710	10.5
184.08852	18.8
185.09621	8.8
185.13252	14.7
186.10428	1.7
187.07509	1.2
187.11169	2.6
187.14737	1.6
189.09113	3.9
189.12784	3.8
193.10191	2.8
195.08073	1.9
195.11691	8.7
196.08940	1.1
197.05997	1.5
197.09630	8.8
197.13264	3.7
198.10449	2.2
199.11195	51.7
199.14928	1.8
200.11833	1.2
201.09131	2.8
201.12741	5.8
203.10704	2.2
205.10068	1.6
206.10910	2.0
207.11749	2.5
209.09616	15.4
209.13220	4.0
210.10294	1.6
211.07504	1.3
211.11174	5.2
212.08401	8.7
212.12047	1.3
213.12816	7.1
217.08553	2.4
217.12289	2.1
225.12743	4.6
227.10684	36.3
227.14236	2.4
229.12215	7.0
231.13844	4.5
237.12852	3.0
239.14334	3.1
241.12234	2.1
243.10197	2.6
243.13731	1.4
245.11740	58.5
249.12764	2.2
255.13802	5.5
257.15530	1.6
265.12253	1.9
283.13364	2.4
289.06561	1.2
394.33566	1.3
411.23251	2.8
429.24298	11.9
439.22583	4.4
447.25391	1.9
457.23779	13.8
475.24799	17.9
475.30563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
54.75351	2.9
55.01885	3.7
55.05500	7.1
63.77942	3.1
65.03958	3.1
65.07535	3.0
67.05489	12.6
69.03433	4.2
69.92033	13.0
79.05500	18.8
81.03413	5.3
81.07059	16.8
83.08617	4.0
91.05487	36.2
93.07043	18.0
95.04955	9.7
95.08589	12.6
98.21445	4.4
103.05447	3.5
105.07033	42.3
107.04945	4.0
107.08584	12.8
109.02859	11.7
109.06536	4.9
109.10178	4.3
115.05469	10.1
117.07014	19.7
119.04955	3.0
119.08580	26.4
121.06503	10.5
121.10134	4.7
128.06218	17.6
129.07019	30.4
131.04941	5.1
131.08582	34.3
133.06456	6.6
133.10117	13.7
135.08046	9.6
137.05986	6.7
141.06973	25.5
142.07803	22.0
143.08578	56.5
145.06470	12.6
145.10121	25.5
146.07253	3.9
147.08060	13.8
148.10138	3.1
149.06064	3.7
149.09717	4.8
151.07501	7.5
153.06967	20.5
154.07799	13.6
155.08559	59.1
156.09351	16.2
157.06435	5.5
157.10159	42.1
158.07283	3.8
159.04456	4.0
159.08116	14.8
159.11678	15.5
161.09578	3.3
163.07512	8.7
165.07002	11.0
166.07762	5.8
167.08583	26.0
168.09380	20.9
169.06375	3.4
169.10150	62.1
171.08055	13.3
171.11707	34.2
173.09625	16.1
173.13228	7.5
175.07553	10.7
175.11169	9.1
179.08572	12.0
180.09337	7.7
181.10121	26.3
182.10878	18.9
183.08046	8.7
183.11726	35.2
184.08922	7.3
185.09630	13.3
185.13292	31.5
187.07597	6.1
187.11171	12.9
187.14903	5.6
189.09071	7.1
192.09375	6.3
193.10129	5.6
194.10927	4.6
195.08034	4.3
195.11694	18.7
197.09583	11.1
197.13275	100.0
199.07599	3.7
199.11223	22.9
199.14851	6.9
201.09134	10.1
201.12788	8.4
203.10713	7.6
203.14317	5.1
207.11711	12.4
209.09605	9.6
209.13211	10.7
210.10464	4.4
211.11169	14.3
213.12833	20.4
215.10690	7.9
215.14311	12.1
217.12184	7.8
219.11661	4.3
225.12767	52.3
227.10632	10.3
229.12189	10.0
231.13835	32.9
237.12718	6.6
239.10648	4.6
241.12224	8.9
243.13820	71.2
245.11707	29.4
259.13278	29.2
287.12585	3.5
347.76370	3.0
381.17465	3.2
401.21332	4.2
411.23187	13.5
421.21957	4.8
429.24240	72.2
439.22641	11.1
447.25357	14.4
457.23712	83.3
458.24329	4.6
475.24850	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01868	4.0
55.05499	7.6
57.03437	2.6
58.68369	2.1
67.05499	11.9
69.03425	3.3
69.07055	7.8
69.39850	10.4
69.40273	8.2
69.62000	2.7
77.40714	2.3
79.05502	16.2
79.05880	3.1
81.07056	22.7
83.04974	3.5
83.08605	4.3
85.80160	2.4
91.05488	32.2
93.07059	14.3
95.04965	8.5
95.08620	10.9
97.06543	3.0
98.98470	9.8
103.05472	3.8
105.07041	32.5
107.04927	2.6
107.08583	9.1
109.02936	2.9
109.06497	2.9
109.10161	6.3
115.05451	5.3
117.07058	16.5
119.04824	3.1
119.08586	92.9
121.06506	9.6
121.10117	3.7
128.06248	12.8
129.07014	18.3
129.34106	2.1
130.07793	3.1
131.08559	25.2
133.06488	5.0
133.10129	8.9
135.08055	6.4
136.99991	7.4
141.06989	16.2
141.53423	2.1
142.07788	21.4
143.08595	29.0
144.09355	3.8
145.06479	6.3
145.10129	29.4
147.08067	5.0
147.11674	3.9
149.05978	4.4
151.07567	3.5
153.06970	9.6
154.07787	8.0
155.01028	7.4
155.08559	43.5
156.09380	26.0
157.06508	4.5
157.10146	62.8
158.07262	6.7
159.08046	10.0
159.11714	38.8
161.09589	2.9
161.13266	4.7
165.06972	14.0
166.07803	6.9
167.08566	21.5
168.09341	9.3
168.53598	2.2
169.06398	3.3
169.10138	63.7
169.62653	2.4
170.10869	2.7
171.08064	13.2
171.11697	24.2
171.69579	2.4
172.08841	2.6
173.06015	2.4
173.09630	13.7
173.13231	5.4
175.11256	5.7
178.07744	2.7
179.08575	10.0
180.09297	11.0
181.06473	3.3
181.10094	24.0
182.07216	3.4
182.10951	28.5
183.08089	5.4
183.11684	21.7
184.08809	6.8
185.09642	11.8
185.13252	12.8
187.11159	8.0
192.09332	12.6
193.10191	8.2
194.10815	2.6
195.08032	8.5
195.11679	20.6
197.09599	7.6
197.13281	100.0
198.10318	4.6
199.11192	33.9
199.14818	8.6
201.09074	2.9
201.12735	6.8
207.11688	17.5
209.09628	9.6
209.13283	12.6
210.10352	4.8
211.11186	20.6
211.14731	3.0
213.09184	3.1
213.12717	10.9
215.10750	3.6
219.11710	4.2
221.09706	2.8
221.13254	2.5
223.11165	8.3
225.12756	28.2
227.10716	29.7
227.14240	4.1
229.12228	8.6
233.13388	2.6
235.11153	2.5
235.14780	2.8
237.12683	4.6
241.12209	4.9
243.13794	4.3
245.11676	31.7
247.11188	2.8
251.10634	6.4
253.12354	5.7
255.13889	4.0
259.13217	13.6
269.11633	5.1
271.13272	6.6
297.11267	5.8
315.12247	6.3
339.28842	9.9
349.17969	8.1
377.17529	3.8
383.23901	4.5
393.22116	4.8
395.18588	5.8
400.48709	3.0
409.95547	2.3
411.23230	16.6
413.24570	7.2
421.21579	4.1
429.24365	40.0
431.25967	4.0
439.22681	12.3
457.23764	50.8
467.21622	2.2
475.24548	67.1
475.34860	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	475.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.1
55.01872	2.9
55.05511	5.4
65.03954	3.4
67.05515	13.1
69.03424	4.9
69.07094	1.9
71.05025	1.7
71.55887	2.3
77.03932	2.2
79.05505	20.9
81.03403	2.4
81.06594	1.6
81.07068	30.0
83.04981	2.0
91.05489	36.3
93.07046	17.4
95.04973	7.0
95.08625	10.3
100.28603	1.6
103.05476	4.9
105.07040	54.8
107.04992	4.6
107.08603	11.4
109.02876	1.6
109.06544	3.4
109.10175	2.5
115.05445	12.2
116.06190	2.2
117.07031	27.1
119.04928	1.8
119.08588	23.2
121.06544	9.6
121.10139	4.7
128.06241	20.7
129.07010	39.1
130.07787	3.7
131.04926	2.4
131.08577	38.5
133.06534	5.7
133.10121	9.4
135.08093	4.5
136.99966	1.6
139.30342	1.3
141.06998	25.7
142.07794	34.2
143.08577	57.7
144.09395	8.4
145.06509	8.7
145.10144	27.8
147.08092	7.9
147.11707	3.8
149.05966	4.5
151.07584	1.9
152.06238	2.7
153.06998	17.1
154.07782	12.5
155.08571	68.6
156.09344	20.3
157.06561	8.5
157.10144	68.9
158.07262	6.5
158.10736	2.2
159.08136	11.3
159.11710	47.3
160.08865	1.5
161.09596	4.4
161.13246	9.9
163.07518	2.6
165.07005	19.5
166.07791	9.5
167.07253	2.9
167.08592	30.2
168.09354	18.5
169.06526	5.3
169.10143	52.1
170.07236	2.2
170.10757	2.8
171.08078	20.4
171.11691	29.8
172.08829	2.1
173.06021	2.3
173.09653	14.6
173.13272	9.8
175.07582	6.3
175.11171	5.6
177.12836	2.2
178.07813	6.0
179.08627	8.8
180.09386	9.0
181.06552	4.4
181.10146	25.9
182.10925	28.2
183.08112	10.7
183.11696	27.9
184.08911	10.5
184.12346	3.6
185.06024	2.0
185.09654	13.6
185.13260	27.6
186.10155	2.1
187.07642	3.3
187.11211	15.8
187.14894	2.9
189.09145	2.4
189.12808	2.0
191.08531	3.8
192.09331	7.5
193.10144	14.8
194.10921	4.0
195.08049	11.6
195.11708	24.0
196.08884	3.0
197.09622	14.1
197.13280	100.0
198.10323	2.7
199.07539	1.9
199.11198	43.2
199.14783	12.5
201.09151	2.7
201.12759	5.6
203.14276	2.6
204.09294	1.8
205.10168	4.4
207.08139	3.0
207.11716	23.9
208.08929	2.6
209.09691	12.7
209.13188	7.7
210.10394	2.1
211.07559	1.8
211.11180	15.7
213.09114	3.8
213.12717	15.2
215.06985	3.1
215.10719	3.9
215.14340	5.7
217.10132	2.9
217.12152	2.4
219.11700	4.3
221.09680	3.2
221.13210	3.5
222.10455	1.8
223.11206	12.0
223.14767	1.9
225.09181	3.8
225.12762	26.5
227.10693	41.8
227.14252	3.4
229.10234	2.6
229.12274	10.4
231.13766	9.0
233.09677	3.4
233.13449	2.7
235.11160	2.5
237.12790	5.0
239.10741	3.7
241.12334	6.4
243.13805	16.4
245.11723	33.2
247.11256	3.0
249.08893	1.8
249.12863	2.1
249.16545	2.2
251.10684	6.2
253.12241	4.1
255.13940	2.7
257.13434	1.8
259.13147	7.6
263.14209	1.8
269.11697	14.8
277.15811	3.7
279.13907	2.3
287.12857	5.2
295.09656	3.2
297.11160	11.7
313.10690	24.0
315.12296	6.8
383.23642	3.1
393.21982	5.7
395.24011	2.0
411.23196	14.7
413.24808	27.5
421.21597	3.7
429.24283	78.6
430.24469	3.5
431.25781	8.0
439.22681	11.4
447.25363	4.7
457.23825	44.7
467.40167	2.2
475.24796	45.0
476.25552	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	475.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.05516	3.6
65.03955	2.5
67.05504	9.4
69.07079	2.9
70.07511	9.9
79.05508	16.9
81.07061	16.3
82.65742	2.5
91.05498	33.4
93.07043	26.5
95.05004	5.6
95.08586	3.3
103.05492	6.2
105.07043	28.8
107.04968	5.7
107.08607	7.4
109.02850	6.0
109.10162	2.8
115.05460	6.6
117.07014	20.4
119.08616	14.9
121.06538	7.9
128.06227	15.2
129.07024	27.2
131.08592	19.7
133.06506	5.1
133.10146	3.4
135.04402	4.7
137.06021	2.1
141.07001	27.6
142.07816	17.6
143.08591	33.2
144.09343	3.9
145.06499	8.3
145.10150	12.3
147.08012	2.7
149.06001	5.1
152.06221	3.0
153.06976	17.7
154.07780	6.4
155.08582	51.0
156.09360	6.9
157.06422	3.5
157.10158	39.6
159.08064	5.8
159.11662	7.8
159.81995	2.2
161.06091	3.0
163.07600	2.6
165.07027	9.1
166.07784	8.0
167.08562	13.4
168.09370	29.5
169.06624	2.8
169.10150	24.0
171.08076	6.2
171.11678	13.0
173.06001	3.1
173.09749	5.6
173.13240	5.5
175.07582	3.4
178.07805	11.3
179.08589	5.6
180.09424	3.2
181.06563	3.0
181.10135	26.7
182.10925	4.7
183.08105	4.8
183.11714	81.0
184.08812	2.9
185.13303	13.2
187.07524	4.8
192.09355	3.4
193.10172	22.3
195.08051	3.3
195.11743	10.8
196.08878	4.7
197.09692	6.0
197.13255	20.6
199.11189	8.6
201.09186	13.2
201.12715	9.1
203.08609	4.5
207.11671	7.5
209.09576	3.6
209.13278	6.7
211.11215	27.6
213.12775	7.8
216.48128	2.6
225.12762	23.8
227.10684	3.9
229.12273	100.0
231.13770	11.5
237.12793	2.6
243.13838	33.1
245.11844	3.6
411.23502	5.5
421.21356	3.9
429.24307	22.6
439.22656	8.9
457.23816	32.1
475.24908	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Kaempferol 3-(3''-acetylrhamnoside)
Peak:m/z	Relative Intensity
55.05505	7.3
57.03445	5.8
57.83861	4.8
67.05485	6.0
71.05000	65.9
71.23531	6.4
73.33599	3.9
77.32767	4.1
79.05490	5.7
81.07044	7.6
83.05002	33.0
85.02901	19.3
87.04472	9.1
91.05486	6.2
93.07076	6.2
95.04987	5.0
95.08612	11.4
97.02891	4.7
109.10174	6.2
111.04446	69.6
113.06001	24.9
114.30014	4.2
114.58806	4.1
116.14532	4.6
117.05518	7.2
117.06995	5.3
121.02872	6.0
123.11676	4.8
124.81805	4.5
129.05489	87.8
137.06004	8.0
145.06709	3.8
145.10104	5.4
151.07526	13.2
153.01765	4.6
165.09181	21.0
166.09467	8.7
167.07188	5.3
171.06514	21.3
179.17194	4.4
189.07590	32.0
191.10727	5.5
205.12135	6.9
286.84583	4.6
287.02609	8.8
287.05545	100.0
472.58844	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1238
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
53.03955	1.2
55.01853	1.1
55.05513	5.5
57.03432	1.5
61.02928	2.2
67.05518	5.8
69.03432	60.4
69.07066	3.1
70.18687	2.1
70.19038	3.2
71.01371	1.6
71.04996	5.6
74.15151	1.0
79.05492	4.3
81.03419	2.4
81.06733	0.9
81.07066	9.4
83.04984	16.0
83.08613	2.0
85.02908	9.9
85.06570	1.2
87.04457	1.5
88.35744	1.0
91.05493	5.3
93.07034	5.0
95.04985	3.1
95.08608	4.3
97.02896	1.2
97.10164	1.6
98.20869	1.5
102.04466	1.1
105.07038	4.1
107.04962	3.1
107.08579	3.1
109.02914	1.6
109.06564	1.7
109.10166	3.4
111.04466	13.4
115.05523	1.2
117.07011	2.0
119.08567	3.2
121.02857	4.8
121.06506	1.2
121.10155	2.4
123.04417	1.2
123.11684	1.5
127.03883	2.2
129.05487	30.3
129.06964	2.2
131.08591	2.4
133.10123	2.9
135.11763	1.4
137.02368	1.2
137.05978	2.3
137.09581	1.7
141.06958	1.6
143.08517	1.7
145.10146	3.1
147.04448	1.4
147.08078	1.2
147.11649	1.7
149.05980	1.1
149.09676	1.4
151.07564	4.2
153.01825	3.4
157.06544	1.3
157.10141	2.1
159.08054	1.3
159.11716	2.5
161.06044	2.0
161.09645	2.4
163.07559	2.2
165.01843	2.3
165.09117	3.9
165.34395	1.2
167.07036	4.1
169.04968	1.5
169.10118	1.3
171.08073	1.4
175.07500	1.1
175.11255	0.9
183.11713	1.7
185.09720	1.8
189.07611	6.8
189.09123	1.7
197.09641	1.7
213.12746	1.3
217.08572	1.5
241.04950	1.5
287.05505	100.0
288.05594	1.4
329.06390	1.3
335.70984	1.1
351.12396	1.3
379.08130	1.2
383.15186	1.2
383.21939	1.9
397.09399	1.9
429.24219	1.6
457.25153	2.0
475.26221	5.6
475.32645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94590	0.7
55.01858	0.9
55.05511	4.6
57.03443	10.7
57.07072	8.2
57.57428	0.8
59.05004	1.2
61.02926	2.7
69.03439	10.8
70.06612	1.1
70.55326	2.0
71.01354	1.4
73.02505	1.3
73.02917	25.5
83.08624	2.0
85.02908	16.1
87.04473	2.7
89.06036	24.0
97.02889	19.2
101.09657	10.6
107.07069	26.2
109.02835	1.0
114.09160	1.4
115.03934	11.4
127.03930	3.6
133.04965	3.8
139.03923	0.9
145.04926	3.8
163.13300	100.0
164.13626	1.0
171.26631	0.9
181.87039	0.9
184.43716	0.9
186.72867	0.7
241.19916	0.7
271.56656	0.8
295.10117	1.0
312.08624	0.9
312.21725	1.0
371.14499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03946	0.7
55.01868	1.1
57.03439	1.1
65.03944	0.5
66.04721	0.7
67.05502	0.9
69.03439	0.8
74.10977	0.4
79.05129	0.5
79.05507	4.5
81.03417	0.7
81.07040	1.5
83.04975	0.7
91.05492	4.6
93.07027	1.6
95.04974	1.0
95.08627	0.6
97.06535	0.5
97.10169	0.5
103.05470	5.3
104.06228	0.4
105.07042	12.8
107.04961	3.0
107.08612	0.6
109.02876	1.3
109.06507	1.3
109.10159	0.6
111.04440	0.5
115.05490	1.3
117.07026	0.8
118.04170	13.8
119.04938	1.7
119.08598	1.1
119.52531	0.4
120.05742	1.0
121.06512	1.9
121.10155	0.6
121.43734	0.4
122.07285	1.2
123.04468	0.5
123.08078	0.7
123.99336	0.4
124.05234	6.1
131.04953	1.5
131.08589	0.5
133.06506	19.0
133.10086	0.5
134.07234	1.6
135.04419	1.8
135.08084	3.5
137.05986	1.5
143.08568	0.5
145.06509	0.8
147.04419	3.4
147.08044	0.5
148.04858	1.4
149.06003	1.0
150.06781	7.9
151.03918	0.6
151.07547	3.2
157.10069	0.6
158.10419	0.4
159.03191	0.4
159.11745	0.5
160.05254	0.6
161.06017	4.7
163.07533	2.6
164.08331	0.8
165.09132	12.5
167.06932	0.7
173.09695	0.5
175.07603	0.8
178.06279	0.9
179.07047	0.9
183.11774	0.5
185.09581	0.5
191.10712	0.5
193.08623	100.0
194.08975	1.5
199.11185	0.5
227.12744	0.7
370.94272	0.5
475.26147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78753	1.1
53.03940	1.6
55.01865	1.8
55.05500	2.5
63.47460	1.0
65.03932	1.7
67.05499	3.5
67.59100	1.1
69.03436	1.5
71.57707	2.0
74.09715	2.1
78.04722	2.3
79.05498	8.2
81.03426	2.1
81.07056	10.3
85.06519	1.3
91.05483	15.1
93.07043	11.4
95.04973	5.6
95.08601	3.3
97.06505	2.1
103.05476	4.7
105.07043	15.7
107.04970	6.1
107.08618	9.3
109.06522	4.4
109.10133	1.6
115.05451	3.9
117.06999	8.0
118.04060	1.2
118.94711	1.1
119.04935	3.2
119.08595	10.0
121.06525	13.3
121.10104	2.3
122.03657	1.5
123.04440	7.0
124.05233	2.2
128.06223	2.3
129.07014	5.9
131.04947	3.8
131.08588	7.9
133.06509	4.9
133.10152	11.2
135.08060	3.4
135.11650	1.8
137.05984	22.7
141.06963	2.9
142.07762	3.6
143.08575	7.5
145.06549	5.9
145.07536	1.1
145.10159	7.1
147.04395	2.5
147.08041	4.6
147.11725	1.8
148.05141	1.7
149.05981	5.8
149.09587	1.6
151.07529	1.9
152.04651	2.2
153.05479	2.0
153.06995	2.4
153.09108	1.8
155.08499	2.7
156.09277	1.6
157.10132	6.0
159.08073	3.5
159.11621	3.3
161.05966	4.6
161.09659	5.9
163.07550	2.4
163.11179	1.2
165.07043	1.9
165.09100	5.1
167.07051	100.0
168.09236	2.0
169.10083	2.3
171.08025	2.0
171.11673	5.8
172.05238	1.4
173.06021	6.8
173.09601	1.6
175.07590	2.5
176.04652	2.3
177.05478	7.3
177.09122	2.3
178.06313	2.1
179.10709	5.1
180.09413	1.2
181.05000	1.7
181.08614	20.3
181.10103	3.7
182.10663	1.3
183.06506	3.0
183.11630	2.5
185.09628	3.4
185.13234	4.2
187.07565	2.3
187.14943	1.4
189.09068	2.0
191.07013	8.5
193.08624	5.7
195.11603	2.0
197.09750	1.7
199.11180	5.5
201.05513	1.6
201.09126	1.9
203.10724	2.2
205.08624	4.1
207.10097	2.5
209.08066	4.9
210.08881	24.1
211.09612	8.3
211.11314	1.9
213.12697	1.8
217.08658	1.6
219.10237	3.1
223.11359	1.7
227.09013	10.1
229.12190	1.9
231.10196	1.6
233.08014	14.8
233.11743	1.9
235.09579	3.9
241.12289	2.3
243.10112	2.1
245.11761	2.0
255.10100	1.2
267.10001	2.0
269.11761	1.6
277.21664	1.4
283.13306	1.5
329.07794	1.2
335.16272	1.3
339.19492	1.5
353.17328	3.5
363.15833	1.4
367.19003	1.7
377.17807	1.8
385.19870	2.3
395.18549	5.3
396.19589	1.4
413.19528	2.4
436.58539	1.2
456.22195	1.2
474.24207	5.8
475.24768	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01375	0.5
53.03949	0.6
55.01870	0.8
57.03434	0.9
58.50973	0.5
61.02905	0.9
61.65602	0.5
63.76559	0.5
69.03137	0.5
69.03442	5.5
69.61082	1.1
69.61489	2.7
71.04973	0.5
76.20450	0.6
81.03410	1.9
85.02426	1.0
85.02911	13.0
87.04459	0.9
97.02913	3.5
98.20814	0.7
109.02885	0.8
127.03905	1.8
128.53221	0.5
139.03871	0.6
139.32623	0.5
139.87120	0.6
145.05005	0.8
146.69745	0.5
155.86386	0.5
164.07077	0.7
165.07025	2.0
167.08611	0.6
176.06381	0.7
177.06963	5.2
178.07802	1.9
179.08594	4.0
189.07019	4.7
191.08578	2.5
193.06525	0.9
194.07332	2.9
195.08005	1.2
196.08730	0.7
204.08073	1.2
205.06511	19.7
206.07185	1.3
207.08105	5.7
209.09601	1.6
210.06842	0.8
218.07188	0.7
219.08087	2.5
219.69901	0.6
221.05927	1.5
222.06781	12.5
222.08958	1.0
223.07510	2.3
225.09030	0.6
233.05989	20.3
233.08362	1.0
234.06664	2.5
235.07564	52.8
236.08022	1.6
237.09122	15.3
238.06236	1.0
247.07481	0.9
249.09216	0.8
249.32532	0.5
250.06252	3.7
250.08693	4.3
251.04416	0.9
251.07042	19.0
252.07822	2.6
253.08591	1.9
263.07053	32.0
264.07831	4.7
265.08615	33.2
267.06732	0.6
267.10153	2.4
268.07318	0.8
277.08554	2.0
280.07275	9.0
280.10059	0.6
281.08069	0.7
282.11386	2.6
283.09671	28.7
294.11362	1.1
295.09671	100.0
296.09937	2.5
312.12335	22.5
313.12640	0.7
331.41647	0.6
412.59766	0.6
438.15485	0.8
456.16202	1.3
457.14886	5.3
474.17596	12.2
475.17987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03418	0.7
65.03936	0.5
66.04717	0.8
70.22677	1.8
72.08165	0.7
73.54040	0.5
79.05493	4.5
81.03391	0.7
81.07066	0.9
90.04737	0.5
91.05485	3.6
93.07047	1.0
94.04166	0.5
95.04963	1.1
103.05480	5.4
105.07042	13.0
107.04960	2.2
107.80327	0.5
108.05759	0.6
109.02882	1.3
109.06507	1.6
111.39506	0.4
115.05428	1.0
117.07059	0.7
118.04171	13.6
119.04920	1.8
119.08582	0.9
120.05737	1.2
121.06509	2.3
122.07289	2.0
123.08094	0.7
124.05211	7.7
131.04903	1.3
132.05640	0.6
133.06500	19.4
134.07275	1.9
135.04413	2.1
135.08080	3.4
137.05984	1.6
145.10159	0.7
147.04443	2.4
149.02399	1.0
150.06781	7.5
151.07498	3.2
157.10211	0.6
161.06018	4.2
163.07527	2.5
164.08304	0.8
165.09126	12.7
175.07510	0.5
178.31381	0.5
179.07057	0.9
185.71896	0.5
193.08618	100.0
194.09021	1.3
307.44385	0.4
474.23526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.05502	14.1
57.07072	6.4
67.05506	30.7
69.07054	15.3
70.68662	5.7
70.69019	7.2
71.04973	7.3
77.16872	2.8
79.05496	26.6
81.07058	100.0
83.04989	3.3
83.08630	6.7
85.06544	4.7
91.05489	34.0
93.07053	66.0
95.04958	10.8
95.08044	5.1
95.08611	59.8
97.06548	6.5
97.10152	4.7
105.07034	74.6
107.08606	56.8
109.06501	13.0
109.10174	31.3
109.10847	4.7
111.08075	6.0
117.07031	14.2
119.08587	74.0
121.06520	4.9
121.10152	53.6
123.08044	6.5
123.11708	18.2
125.09584	3.9
129.07036	4.5
130.07744	6.2
131.08577	24.9
133.10165	34.0
134.98183	10.5
135.08058	7.0
135.11694	22.8
137.13300	3.6
143.08554	10.7
144.09279	5.8
145.10124	50.2
147.11664	9.8
149.09654	6.4
149.13232	13.6
149.18906	3.8
151.11192	8.3
155.08527	4.4
157.10115	10.3
159.11705	45.7
161.13272	89.1
163.11157	12.0
163.14764	8.4
171.11610	4.9
173.13260	14.4
175.14819	9.9
177.16412	12.9
179.14282	7.5
183.11702	6.7
187.14761	3.7
188.92426	4.2
191.14233	4.7
191.17984	7.3
195.11589	4.6
197.13170	5.4
199.14813	4.3
201.16402	46.5
219.17480	33.3
237.18494	17.2
245.13405	3.6
339.28931	3.8
391.00073	3.4
473.34753	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	473.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02869	4.0
51.75555	3.6
55.05501	16.1
57.07063	6.1
67.05505	27.7
69.03445	3.3
69.07086	18.6
71.57108	5.0
74.77695	4.6
76.34604	3.5
79.05498	26.6
81.07058	82.4
83.08616	11.0
83.44898	4.3
91.05481	42.3
93.07056	59.0
95.04967	9.6
95.08618	63.5
96.97375	3.8
97.06541	5.4
105.07042	87.9
107.08597	53.7
109.06512	9.3
109.10156	30.6
111.63912	5.1
113.09631	4.0
117.06995	12.4
119.08588	65.0
121.06540	4.0
121.10152	51.6
123.08051	5.0
123.11712	24.5
124.80477	4.0
125.09680	3.9
127.11185	4.6
129.06955	5.3
131.08592	26.4
133.10120	24.9
134.98192	11.0
135.11713	24.3
143.08569	8.0
144.09435	5.1
145.10153	49.2
147.11717	11.2
149.09587	4.2
149.13295	13.2
157.10136	8.8
159.11726	42.3
161.13268	100.0
163.11217	9.3
163.14848	7.8
173.13266	13.5
175.14821	7.6
177.12666	4.3
177.16396	12.8
191.17998	7.7
195.11609	4.5
198.52963	4.5
201.16411	45.3
219.17455	35.2
223.39584	3.7
237.18518	25.8
255.19604	6.3
339.28922	3.7
364.36316	3.8
473.25586	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	473.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18300	2.3
55.05521	7.1
65.03931	2.1
67.05508	18.4
69.07073	11.0
71.56818	3.6
79.05495	17.2
81.07059	42.9
82.07305	1.9
83.08675	2.8
88.29844	2.0
91.05478	23.0
93.07047	26.9
95.04996	8.6
95.08024	1.7
95.08611	52.8
97.06522	4.7
97.10185	2.6
99.04453	2.7
105.07036	49.4
107.08591	24.8
109.06539	4.8
109.10178	21.4
111.08111	3.7
117.07040	8.0
119.08585	38.4
121.10142	27.4
123.08062	2.9
123.11701	13.8
129.07040	4.0
131.08591	15.9
133.10129	20.7
135.11716	10.9
137.09676	3.3
142.07811	2.4
143.08603	3.0
145.10118	24.1
145.10941	2.0
147.11700	8.9
149.09624	3.5
149.13275	5.4
151.11284	2.6
157.10147	7.9
159.11690	22.2
161.13261	100.0
163.11197	3.6
163.14873	3.7
165.09123	5.1
168.09470	3.2
171.11722	2.3
173.13251	6.1
175.14885	8.1
176.22710	2.2
177.12659	3.1
177.16403	7.9
179.14386	4.0
181.10095	2.5
183.11740	4.9
186.01637	2.7
187.14833	2.7
189.12860	3.5
191.18028	7.4
195.11668	2.8
201.16389	37.9
202.25362	2.0
203.18005	2.9
210.19078	2.2
211.11154	2.9
219.17451	34.2
237.18478	19.3
255.19772	2.7
295.05057	2.2
437.34256	2.8
473.23077	4.1
473.34427	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	472.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	22.9
62.97452	22.6
67.05505	40.9
69.07053	38.3
73.73055	19.7
74.09710	47.1
78.01565	20.0
79.05489	38.6
81.07040	46.2
91.05489	38.0
95.08603	29.5
105.07047	100.0
107.08552	45.6
109.10136	31.5
117.07009	34.1
119.08568	64.8
121.10172	40.3
125.78544	19.2
133.10136	36.7
143.08574	21.2
145.10152	36.6
147.61839	23.5
157.10127	26.7
159.11769	54.4
161.13304	97.8
170.48672	20.7
172.86035	20.9
183.11708	26.9
184.48712	21.2
222.63103	20.4
283.26254	82.1
314.81345	20.8
425.04572	24.7
472.34335	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	473.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05507	2.8
65.03939	2.5
67.05508	6.1
67.52996	1.2
68.39464	1.2
69.03419	1.5
69.07083	2.6
71.04993	1.3
71.56171	2.1
75.91399	1.2
79.05482	10.9
81.03448	1.0
81.06635	1.9
81.07059	18.2
83.04996	1.9
83.08562	0.9
83.97079	1.0
88.36367	1.1
89.83670	1.0
91.05487	16.5
92.50590	1.1
93.07055	11.9
95.04971	3.5
95.08628	7.1
103.05502	2.2
105.07042	18.2
107.04968	2.2
107.08616	8.5
109.06532	1.9
110.29527	1.3
110.30280	1.1
115.05468	4.5
117.07011	8.7
119.05013	1.4
119.08585	14.5
121.06510	3.5
121.10182	6.5
123.04450	1.6
128.06213	8.0
129.07016	12.9
131.04916	1.7
131.08578	11.0
133.06464	1.8
133.10115	4.4
135.04411	1.2
135.08047	3.3
135.11707	2.5
141.07011	10.2
142.07809	9.2
143.08556	14.6
144.09338	1.7
145.06519	5.2
145.10141	10.6
147.08070	3.9
147.11691	3.3
149.09616	1.6
152.06192	1.8
153.06950	5.7
154.07790	4.4
155.08568	14.4
156.09364	5.9
157.06516	2.6
157.10152	19.7
158.07278	2.9
159.08069	5.4
159.11679	12.0
161.06122	1.6
161.09625	2.3
161.13318	2.7
163.07605	1.5
165.06979	10.1
166.07866	5.6
167.08543	10.9
168.09412	3.5
169.06467	2.9
169.10144	14.3
171.08040	6.0
171.11676	12.6
173.09636	5.0
175.11215	3.2
176.67639	1.0
177.09222	1.8
178.07788	3.9
179.08595	5.4
180.09297	5.5
181.06447	2.0
181.10127	10.3
182.07292	1.6
182.10928	2.8
183.08066	4.2
183.11703	11.9
184.08862	4.0
185.09599	5.9
185.13327	3.8
187.07568	1.2
187.11206	2.5
189.09163	2.3
189.12794	1.7
191.08611	1.6
192.09340	2.2
193.10193	6.5
194.07208	1.6
195.08104	4.0
195.11723	17.1
196.08916	1.3
196.12343	1.2
197.09610	9.5
197.13271	7.6
199.07666	1.4
199.11226	10.1
201.12804	1.8
202.07889	2.1
203.08614	1.8
204.09328	1.5
205.10225	1.7
206.10884	1.7
207.11792	3.5
207.42181	1.3
208.08858	1.3
209.09624	4.3
209.13240	2.7
211.11169	7.8
213.09184	1.9
213.12753	4.6
215.10658	3.7
217.10223	2.4
217.12228	1.9
219.11823	2.3
221.09612	2.6
222.10353	1.6
223.11174	8.5
225.09087	3.1
225.12737	2.4
227.10684	8.8
229.12251	3.2
232.12192	1.3
235.11305	2.1
237.09106	1.7
239.10712	2.2
241.12170	6.1
243.10217	3.1
245.11629	6.4
247.11035	1.4
249.12848	2.1
251.10594	1.6
251.14594	1.3
257.13269	1.3
259.11316	1.3
269.11761	3.0
271.11166	1.5
271.14890	1.7
273.12778	1.2
313.10641	7.7
313.15936	1.6
325.15915	2.0
347.16577	2.3
351.17209	1.4
355.20801	2.1
367.20624	1.7
381.22385	2.6
393.16583	1.3
399.23172	2.2
409.21603	7.5
411.23419	10.9
412.20810	1.3
427.22714	28.5
429.24402	4.0
437.21237	4.4
445.23938	2.4
455.22171	16.3
473.23276	100.0
474.23380	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	472.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81928	0.5
58.45941	0.5
59.55078	0.6
65.03932	1.0
67.05492	0.7
68.05023	3.4
69.03426	1.4
70.06588	5.7
70.71951	1.6
79.05511	3.2
80.05002	0.9
81.03430	1.1
81.05798	2.4
82.06582	1.6
83.04973	1.3
84.08134	1.0
85.02908	4.1
86.06084	0.7
88.04005	1.2
91.05489	18.4
94.06576	6.4
94.47554	0.6
95.04987	3.7
96.08138	35.1
97.02892	0.7
99.64847	0.5
103.85587	0.4
109.02895	0.8
111.04469	1.4
112.07615	10.4
114.09177	100.0
115.09521	1.0
115.37833	0.5
119.04964	13.3
120.08728	0.5
127.03926	0.7
130.08659	1.3
136.05209	2.0
137.06006	1.1
142.08643	21.2
151.07556	31.3
158.08122	4.3
160.09708	40.4
161.10031	0.6
190.76599	0.6
194.05914	0.5
194.08147	0.6
206.67210	0.6
240.12389	0.8
268.11896	4.9
286.12857	9.8
304.13940	16.0
452.51746	0.5
454.20923	4.1
472.21851	79.5
473.22275	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	472.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73648	21.3
57.37901	21.8
67.05500	55.4
69.07046	35.5
76.68678	23.2
77.79070	20.2
79.05479	60.9
81.07057	100.0
91.05473	53.4
93.07068	65.3
95.08593	86.7
105.07027	80.6
107.08606	60.1
109.10175	52.3
113.08640	23.5
119.08569	69.7
131.08537	27.7
133.10088	42.3
135.11783	29.6
139.07509	29.4
145.10135	49.8
147.11711	39.6
157.10135	33.3
159.11665	57.9
161.13249	76.0
165.24936	27.6
199.14844	41.4
205.12198	50.5
436.13678	25.4
472.34402	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67484	0.4
57.03424	0.7
57.98802	0.7
58.99588	14.0
59.64075	0.5
61.02927	0.8
67.05514	0.8
68.05034	1.1
69.03421	2.0
70.06601	2.7
71.55630	0.6
76.02215	0.6
76.61916	0.5
79.05518	0.9
79.93105	0.5
81.03407	0.9
81.05801	0.8
82.06574	0.9
83.04974	0.8
84.08147	0.8
85.02916	3.6
86.06084	0.8
86.09705	0.6
86.99065	8.9
87.04469	0.8
88.03992	0.7
91.05466	0.8
94.06567	2.4
95.05018	0.5
96.08134	10.5
97.02898	1.2
99.04445	0.6
100.02207	55.8
100.07635	0.6
105.00097	17.3
105.07030	0.8
109.02847	0.6
110.06032	0.5
111.04449	0.6
112.07614	6.3
114.09174	30.5
119.08585	0.9
126.03765	1.2
127.03916	1.1
130.08623	0.6
137.05959	0.8
138.05444	0.6
139.03899	1.6
140.07050	0.9
142.08627	4.9
144.01151	0.8
146.02713	79.5
147.11627	0.8
151.07547	0.8
158.08145	2.3
160.09723	5.6
164.07076	1.8
167.07022	0.5
172.04298	2.2
230.08134	1.4
258.07550	1.2
266.12152	0.5
268.11841	1.9
286.12866	4.6
292.13681	3.0
304.13907	9.6
310.11185	1.0
310.14716	3.7
472.20123	100.0
473.20502	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.2
57.07070	6.4
67.05510	17.9
69.07079	11.7
71.04976	3.3
79.05489	15.4
81.07063	81.1
82.07369	2.4
83.04970	3.4
83.08612	5.2
85.15174	2.5
89.06038	12.9
91.05486	26.6
93.07054	28.8
95.04959	4.7
95.08051	4.0
95.08614	47.8
97.06536	5.1
97.10193	5.4
98.21354	13.0
100.71263	2.3
103.05467	2.8
105.07036	72.4
107.08604	33.8
109.06511	6.1
109.10177	37.1
117.07043	9.3
119.04926	2.8
119.08591	61.3
120.08877	2.8
121.06491	4.2
121.10140	23.1
123.08111	2.5
123.11723	10.8
125.09592	2.7
128.06255	3.2
129.06990	8.9
131.08553	18.2
133.06522	2.9
133.08662	3.7
133.10149	31.2
135.11719	9.6
137.09630	2.8
141.07028	2.4
142.07765	2.8
143.08595	12.8
145.10135	22.5
147.08029	3.4
147.11696	80.6
149.13306	7.1
151.07610	3.3
155.08582	5.6
157.10190	22.0
159.11693	31.7
161.13251	19.8
163.14813	5.0
165.12720	3.5
169.10136	3.6
171.11716	7.6
173.13232	4.0
175.07541	4.3
175.11159	5.4
175.14856	5.0
181.10175	2.9
183.11722	4.5
185.09680	4.6
185.13275	27.1
187.11247	2.7
187.14879	5.2
189.12534	3.1
195.11725	5.5
197.13329	4.1
199.14790	3.8
200.80292	2.5
201.12621	3.1
201.16380	6.7
203.14563	5.2
203.17976	93.4
205.10400	2.4
205.12256	2.7
211.11214	3.7
211.14476	2.2
213.12831	12.8
215.14302	3.3
219.17499	3.8
221.19034	10.4
229.21474	3.4
231.13817	100.0
237.16473	3.1
249.14891	28.0
267.16119	2.6
271.20477	3.0
284.17728	2.5
306.64069	2.9
405.31641	5.3
423.32639	4.4
433.31174	5.3
451.31778	9.5
469.33221	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79465	0.3
51.45291	0.3
55.05507	0.8
63.02375	0.6
65.03944	1.1
67.05507	0.3
67.10378	0.2
69.03433	0.5
69.07070	0.3
69.86596	0.2
71.36272	0.5
78.04702	0.2
79.05482	0.8
81.07064	0.5
83.04973	0.8
88.07289	0.2
89.03920	9.8
91.05482	8.2
93.07034	0.4
93.41886	0.2
95.04970	0.7
95.08601	0.6
103.05469	0.2
105.07027	0.9
106.04191	0.7
107.08594	0.5
109.06525	0.4
109.10184	0.3
111.04444	10.8
117.03383	27.6
119.04948	12.8
119.08574	0.8
123.07975	0.3
124.05220	0.4
129.07034	0.4
133.10144	0.4
134.03656	1.8
135.04443	0.9
145.02852	53.8
145.10129	0.8
146.03197	1.0
147.04416	43.8
147.11679	0.3
148.04741	0.4
149.05989	7.9
157.10072	0.4
158.06015	0.3
159.11722	0.4
161.09634	0.3
161.13266	0.3
162.03169	0.3
163.03972	0.7
175.14873	0.3
177.05476	100.0
178.05774	1.3
186.05562	1.7
233.07857	0.4
244.59532	0.3
257.08157	0.4
287.09134	2.1
303.80756	0.3
469.15027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01859	0.4
55.05514	1.9
63.02378	0.7
65.03938	0.9
67.05517	1.9
69.03444	0.4
69.07059	1.0
71.04997	0.4
71.55251	0.4
71.55654	0.4
72.95133	0.3
78.04730	0.4
79.05507	1.7
81.07060	2.9
83.04980	1.4
83.08620	0.7
85.06561	0.4
89.03922	8.9
91.05490	10.1
93.07043	2.8
95.04963	1.1
95.08614	2.2
97.06535	0.5
103.05478	0.8
105.07047	2.8
105.36871	0.3
106.04132	0.5
107.04948	0.6
107.07988	0.3
107.08590	2.3
109.06554	0.7
109.10161	1.3
111.04453	12.3
111.05216	0.7
117.03389	25.0
117.07054	0.8
119.04099	0.7
119.04951	15.5
119.08588	2.6
121.06544	0.6
121.10132	1.6
123.04417	0.6
123.08120	0.4
123.11675	0.6
124.05213	0.3
125.09630	0.5
125.47308	0.3
129.07004	0.9
131.08583	2.0
133.06497	0.5
133.10120	1.8
134.03647	1.6
135.04422	1.6
135.08054	0.6
135.11691	0.7
141.07010	0.5
142.07796	0.5
143.08551	1.5
144.09381	0.6
145.02856	53.0
145.10149	2.5
146.03242	0.5
146.10349	0.3
147.04420	52.8
147.11688	1.6
148.04778	0.5
149.05995	8.9
149.09586	0.5
149.13278	0.7
151.04031	0.4
151.11243	0.4
155.08505	0.7
156.09279	0.5
157.10159	1.7
158.05951	0.6
159.08115	0.4
159.11708	2.2
159.12843	0.3
161.09665	0.5
161.13263	1.3
163.03853	0.7
163.11128	0.4
165.09087	0.4
169.10207	0.8
171.11667	1.0
173.09616	0.5
173.13258	0.7
175.11105	0.6
175.14746	0.5
177.05484	100.0
178.05894	1.2
181.10152	0.6
183.11649	0.5
185.09715	0.4
185.13321	0.7
186.05547	2.2
187.11220	0.7
187.14806	0.5
189.12756	0.4
189.16373	0.5
195.11711	0.4
197.13228	0.4
199.14876	0.9
201.12793	0.4
201.16469	0.4
203.10751	0.5
203.14285	0.5
203.17894	0.6
209.13371	0.4
215.14359	0.8
217.12181	0.5
217.15775	0.4
219.11835	0.4
229.12267	0.6
231.13910	0.4
257.07990	1.0
273.18295	0.4
287.09174	2.4
309.20370	0.5
371.41129	0.4
451.29065	0.4
451.32166	0.5
469.14587	2.2
469.32773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.05509	7.3
55.68647	6.1
57.07072	11.6
67.05499	42.3
69.07058	17.6
69.48129	41.2
71.08630	8.3
79.05481	28.7
81.07062	100.0
83.08630	10.0
89.06030	61.7
91.05476	52.1
93.07041	61.9
95.04962	14.5
95.08607	52.2
98.20772	13.3
105.07039	79.1
107.08592	58.6
109.10148	39.4
114.88075	5.5
117.07011	20.8
119.08600	47.8
120.08964	6.2
121.06470	8.4
121.10148	25.8
123.11723	13.6
129.07005	10.3
131.08618	31.1
133.08565	23.1
133.10132	19.8
135.11694	95.1
141.06941	8.1
143.08543	16.8
144.09297	6.9
145.10095	26.2
147.11707	23.6
153.21150	6.3
155.08565	9.6
157.10130	22.6
159.11710	71.7
161.13275	48.0
162.13727	6.9
163.14835	8.2
169.10027	9.9
171.11684	7.2
173.13249	10.1
175.11307	6.7
177.11172	13.2
181.10185	7.5
183.11732	19.6
185.13258	10.6
187.14816	6.9
195.11726	11.1
197.13130	11.3
203.17928	8.9
227.18027	8.1
231.13786	8.8
273.18484	13.9
283.17566	32.4
387.30243	8.9
432.28873	6.4
433.30774	20.0
450.30713	13.8
460.07678	7.2
468.31400	10.1
468.37854	10.6
473.08810	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	468.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87902	1.2
53.03940	2.9
55.01875	2.2
55.05507	1.7
57.03436	2.1
61.02936	1.6
61.11314	1.1
67.05517	1.2
69.03451	6.9
69.64613	8.5
71.04996	2.4
73.02900	1.7
74.66441	1.5
80.57857	1.5
81.03421	9.7
81.07087	1.5
85.02426	2.5
85.02911	34.0
97.02902	12.7
99.04453	21.8
103.03945	34.6
109.02874	11.8
113.33968	1.3
115.03928	1.5
115.05445	1.5
117.05743	4.6
117.07041	3.6
118.06563	1.6
121.06486	1.5
127.03923	33.5
129.06999	5.6
130.06543	12.3
132.08075	5.9
137.06036	1.3
143.07298	25.0
144.08096	69.7
145.04965	19.8
154.06516	2.1
155.07300	1.9
156.08110	20.3
157.08876	5.3
158.06050	2.9
158.09666	100.0
160.07596	8.5
162.09201	5.9
163.06015	4.4
167.07333	6.4
168.08101	22.5
170.05975	1.6
170.09666	4.1
172.07610	4.7
174.09093	6.3
180.08060	4.0
181.08876	2.7
182.09610	6.7
183.06680	1.3
184.07582	26.2
186.09155	95.4
187.06009	2.3
194.09694	2.0
196.07547	2.8
196.11195	3.1
198.09138	3.5
204.10216	85.4
206.09671	2.9
210.09138	4.2
214.08620	1.8
222.09137	1.7
224.10733	9.5
228.10222	7.3
234.09090	3.8
240.10023	1.6
252.10178	22.7
270.11301	20.2
288.12332	7.5
306.13361	4.2
414.15396	10.3
432.16556	45.7
433.16992	2.1
450.17615	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	468.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
67.05501	3.3
69.03414	3.8
69.07055	2.5
70.06584	2.2
71.04974	1.6
71.58012	1.8
79.05477	2.8
81.03400	2.0
81.07043	4.2
83.08609	1.2
85.02917	10.6
87.08060	0.8
89.04728	1.1
91.05469	4.5
93.07039	6.3
95.04955	1.5
95.08599	14.5
96.08127	5.9
97.02882	3.7
104.35963	0.9
105.07008	7.5
107.08599	7.3
109.02914	1.3
109.06512	14.5
109.10150	16.5
109.10850	1.8
111.08070	3.4
118.06514	3.4
119.08574	11.3
121.06473	1.5
121.10130	11.3
123.04351	1.2
123.08051	3.0
123.11711	3.3
127.03878	1.8
129.07013	2.4
131.08562	5.3
133.06528	1.4
133.10121	22.5
135.08069	1.4
135.11655	1.5
137.06047	1.6
137.09610	5.9
138.05438	1.1
139.03928	1.3
143.08618	7.0
145.05011	1.6
145.10124	6.6
146.06020	3.9
147.11681	6.5
149.09621	4.6
151.11113	1.8
156.09348	1.9
157.10120	11.9
157.11356	1.7
159.11700	4.2
160.07516	1.2
161.09622	2.5
161.13261	1.5
163.11174	2.0
171.11678	10.2
173.13251	10.1
175.11208	4.7
178.04955	1.2
178.08665	4.7
183.11664	1.0
185.13286	1.2
187.14859	1.4
189.12788	1.9
189.16428	2.8
206.04605	2.1
213.16383	29.3
227.80460	1.0
231.17410	24.2
231.19550	2.0
249.18526	13.9
375.08505	1.0
411.23758	100.0
412.23950	2.3
445.41016	1.2
463.29535	0.9
468.29572	49.4
469.29980	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.4
57.07077	8.4
67.05512	39.9
69.07079	13.8
71.01264	6.0
71.01604	7.8
79.05498	22.6
81.07067	46.8
83.08616	9.5
85.24786	4.4
91.05482	35.2
93.07051	47.0
95.04980	24.6
95.08614	66.3
97.06536	7.9
98.98462	10.1
105.07040	68.4
107.08619	47.1
109.06532	15.1
109.10175	55.6
111.08159	5.0
117.07037	18.5
119.08591	52.8
121.06528	7.2
121.10180	33.9
123.08068	10.4
123.10931	4.9
123.11705	24.8
129.06992	10.0
131.08583	28.7
133.10135	39.2
135.08044	9.7
135.11696	28.7
137.09628	7.2
142.07794	11.5
143.08577	18.9
143.86867	5.0
145.10143	41.2
147.11713	37.9
149.09619	12.2
149.13306	9.6
151.11215	5.7
154.07851	5.0
155.01082	14.1
157.10178	30.7
159.11703	40.2
159.17191	5.9
161.06161	4.8
161.09673	9.1
161.13266	17.3
163.11217	6.9
168.09320	7.7
169.10176	5.4
171.11682	10.2
173.13263	16.5
175.11211	7.2
175.14769	6.3
181.10164	7.2
183.11708	22.8
185.13261	13.7
187.11307	7.1
191.18021	10.4
199.14848	5.6
201.12772	8.5
201.16409	29.5
203.17979	100.0
211.11234	6.8
215.14255	7.6
219.17451	90.6
229.12306	15.0
243.13951	6.2
247.13336	21.0
313.27283	20.8
368.68762	4.8
431.29422	17.4
449.30399	8.1
467.31696	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	467.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.9
53.03947	7.9
55.01861	5.2
55.05516	16.4
57.03440	9.0
57.07066	2.7
61.02914	6.5
61.50741	1.3
65.03930	6.4
67.05507	51.3
69.03432	100.0
69.07063	9.8
71.01347	3.6
71.04980	4.6
71.57973	2.8
72.97243	1.7
73.02901	5.2
77.03908	1.6
79.05498	49.4
81.03422	51.1
81.07059	50.6
82.07375	1.6
83.04985	37.5
83.08608	5.3
85.02415	2.7
85.02905	33.3
87.04448	3.7
91.05492	21.2
93.06483	2.4
93.07049	38.4
95.04970	27.0
95.08608	33.0
97.02283	2.8
97.02899	43.8
97.06522	12.5
97.10170	3.3
99.04460	39.6
103.03953	14.9
103.05428	2.5
105.07034	24.9
106.07373	2.0
107.04953	21.2
107.08601	27.1
109.02916	8.0
109.06524	3.0
109.10165	19.0
111.04449	60.4
111.08030	2.0
112.71282	1.6
115.03929	3.2
117.07019	10.8
119.08587	19.6
121.10136	25.7
123.04453	11.3
123.08060	3.0
123.11672	9.9
125.05984	11.9
127.03910	7.8
129.05473	2.3
129.07011	2.8
131.08577	16.9
133.10129	12.7
135.04407	9.0
135.08043	1.8
135.11719	19.1
137.09584	2.1
137.13228	3.6
139.03871	1.7
141.05472	13.6
141.07098	1.6
142.07773	2.0
143.08548	7.4
145.10124	13.3
147.08102	1.5
147.11678	12.1
149.09613	1.5
149.13284	10.6
151.03973	1.5
151.11244	1.9
152.44289	1.5
153.05464	23.8
155.08508	4.0
156.09348	1.7
157.10098	8.2
159.11711	15.5
160.12042	2.3
161.09564	1.9
161.13214	8.0
163.14807	4.3
169.04953	3.7
169.10008	2.0
171.06526	49.0
171.11687	4.5
173.09584	2.3
173.13240	8.8
175.14888	3.1
177.12775	2.3
177.16339	2.8
183.11676	2.5
185.13240	3.5
187.11247	2.0
187.14880	7.1
189.07671	8.4
189.16406	1.8
196.12137	1.7
197.13342	1.9
199.14804	3.2
201.16359	4.9
203.14326	1.8
203.18002	3.2
207.08636	2.3
213.12488	1.5
217.15741	2.0
243.21130	10.4
251.26457	1.7
261.22162	32.7
262.00269	1.5
263.23682	2.5
279.23190	2.0
431.28641	2.5
449.29556	10.2
467.30823	16.6
475.98465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38808	1.0
53.03939	4.0
55.01673	1.1
55.01880	15.4
55.05265	1.7
55.05514	22.4
57.03437	7.0
57.07076	5.5
65.03935	4.8
67.05509	95.0
68.05839	1.1
69.03433	17.7
69.07073	21.8
71.01350	1.7
71.04992	3.9
71.08627	3.8
71.55920	1.0
73.02921	3.2
73.36121	1.1
74.35476	1.1
77.97588	1.0
79.05497	28.3
81.03424	10.4
81.07062	100.0
83.01408	1.1
83.05000	7.2
83.08621	13.6
85.02910	26.8
85.06564	2.4
85.10168	1.1
91.05486	23.6
93.03406	1.9
93.07053	29.3
94.07823	0.9
95.01326	1.0
95.04977	10.4
95.08612	75.8
97.02897	13.8
97.06540	5.5
97.10182	8.4
99.04450	2.0
99.08084	2.9
103.03938	2.1
103.05477	1.0
105.07031	20.3
107.08604	16.3
109.02879	2.5
109.06515	2.2
109.10162	34.9
111.04462	7.2
111.08076	2.7
111.11707	2.1
113.09634	2.6
115.03944	3.0
117.07026	5.5
119.04848	0.9
119.08584	16.3
121.06606	1.2
121.10143	16.9
123.04446	11.0
123.11715	18.6
125.02377	1.7
125.09616	2.6
127.03893	2.8
127.11182	1.5
129.07005	3.4
131.08603	7.8
133.10139	16.5
135.08034	1.6
135.11708	10.4
137.13286	7.1
139.03912	16.9
141.05458	5.0
142.07794	2.3
143.08594	3.7
144.09308	1.2
145.10110	7.4
147.08029	1.3
147.11705	11.7
149.09608	2.2
149.13248	6.8
151.03888	6.3
151.14854	2.4
153.05479	1.9
153.12750	1.6
155.08560	2.2
157.10123	5.5
159.06569	1.6
159.11690	10.3
161.09583	1.4
161.13312	9.8
163.14835	8.3
165.12872	1.3
165.16443	1.9
169.04964	12.3
169.10162	1.3
171.11844	1.6
173.13298	3.3
174.60393	1.0
175.14867	8.5
179.17961	1.6
181.09993	1.2
183.11682	2.9
185.13298	3.8
187.06021	10.1
187.14845	1.6
189.11238	1.6
189.16408	4.0
197.13362	1.7
199.14758	1.5
201.12929	1.2
201.16406	3.1
203.14339	1.4
203.17894	6.0
207.11633	1.2
213.12576	1.1
217.19447	1.2
219.17380	1.6
228.02798	1.2
231.13786	1.4
231.22153	1.2
243.21016	1.2
245.22649	11.7
259.20853	1.2
261.22192	1.2
263.23724	25.0
388.80984	1.0
389.47925	1.2
403.29755	2.0
431.27777	1.3
449.29184	7.8
467.30478	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05510	2.1
57.03437	11.8
57.16178	1.8
57.29537	1.5
57.89004	1.6
60.04525	3.7
63.12974	1.6
68.38644	1.6
69.03428	10.2
69.07076	15.9
70.06602	2.2
71.04996	68.6
71.08623	8.2
71.21469	3.3
73.02919	2.6
75.04466	2.0
81.03413	5.8
83.04982	4.0
84.04503	2.5
84.08149	2.6
85.02907	100.0
86.09698	4.7
91.62244	1.6
96.08126	1.8
97.02908	18.0
97.06521	2.4
99.04464	3.2
109.02879	6.8
111.04428	2.3
114.09170	10.0
116.98663	2.1
120.08092	2.0
121.06507	2.2
123.04426	3.7
127.03925	10.6
129.05475	22.5
130.06506	3.6
136.07588	4.7
137.05995	2.6
138.09161	2.7
139.03891	6.2
142.08635	74.1
145.04929	8.3
146.06007	3.5
146.08119	1.6
147.06543	7.4
154.04967	2.2
157.07639	12.1
158.06000	2.6
163.03870	1.7
164.09222	4.8
175.08685	3.5
184.09679	43.8
192.55539	1.8
193.98009	2.1
203.08208	1.8
208.09691	7.9
235.10893	2.0
245.09338	3.5
250.10721	5.3
286.12872	5.3
293.08539	1.6
304.10425	2.5
304.13913	50.8
305.05765	2.9
305.14816	5.4
407.11685	2.2
449.15701	2.6
467.18188	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	466.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14225	3.9
55.05516	11.1
67.05506	20.1
69.07055	9.4
69.93418	22.4
79.05494	14.9
81.07053	32.3
83.08617	8.0
87.04480	5.7
89.06022	8.6
91.05478	17.6
93.07050	28.2
95.08612	42.1
96.08946	5.2
105.07045	39.5
106.07362	4.8
107.08605	34.4
109.10170	26.3
117.07003	8.3
119.08601	32.0
121.10133	14.3
123.11731	5.9
129.07045	6.3
131.08589	10.4
132.08920	6.0
133.08556	5.2
133.10123	19.7
134.10461	4.9
135.11742	7.2
141.06985	5.9
143.08571	10.2
144.99731	5.1
145.10158	18.0
147.11688	100.0
148.12126	5.7
155.08565	14.3
157.10136	24.1
159.11697	21.8
161.13280	16.4
168.09335	7.3
169.10085	6.5
172.37250	4.9
173.13257	11.0
183.11713	18.9
193.10155	11.5
193.11885	4.3
199.14726	4.9
201.16368	10.2
203.17957	83.8
203.19751	7.2
204.18340	5.7
211.11156	9.4
219.17558	8.5
229.12158	22.4
247.13213	10.1
355.14911	4.9
372.21570	5.0
433.48685	4.7
466.30167	14.4
467.30920	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	467.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61440	0.4
71.55032	0.6
83.76708	0.4
111.94730	0.5
164.03098	0.5
180.96951	0.5
198.97972	0.5
216.98964	2.1
218.24664	0.4
219.01971	0.5
222.97858	0.8
235.00018	9.7
235.02303	0.9
236.00240	0.7
240.98947	3.9
253.01059	1.8
259.00031	29.9
260.00201	2.2
261.03064	1.0
264.98807	2.7
273.98691	1.1
277.01077	28.8
278.01242	2.0
279.01303	0.5
283.00018	67.0
284.00146	4.8
285.00284	0.7
291.99832	0.8
301.01077	100.0
302.01212	8.2
303.01367	0.4
315.02744	0.9
316.99213	0.6
319.02155	4.9
320.02264	0.7
324.02823	3.1
359.00159	1.0
364.99207	0.6
383.00235	0.6
401.01233	3.7
407.00000	5.2
408.00836	0.5
425.01190	34.1
426.01169	2.6
443.02277	85.3
444.02341	8.6
445.02496	1.0
457.03888	1.5
461.02951	0.9
466.03864	5.8
467.03763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.05508	8.4
57.07084	4.2
66.55067	2.7
67.05516	24.7
69.06740	3.8
69.07070	23.5
70.47018	9.1
79.05502	16.8
81.07059	100.0
83.04969	2.5
83.08613	6.6
91.05479	8.0
93.07047	21.7
95.05013	3.1
95.08611	61.0
95.22483	2.8
97.10129	4.0
103.46743	2.6
105.07027	12.1
107.08616	23.7
109.10155	25.1
109.10850	3.5
111.11741	4.0
119.08576	8.6
121.10162	21.8
122.07310	3.6
123.08058	3.8
123.11703	15.0
131.08585	3.1
133.10191	6.1
135.08078	3.0
135.11693	15.7
137.13289	11.1
138.06757	6.3
145.10091	3.9
147.11696	6.0
149.13255	14.2
151.07545	62.7
161.13335	4.1
163.14835	5.7
165.09140	3.5
166.06259	29.0
175.07571	3.5
175.14842	3.1
177.08978	5.7
177.16370	3.9
188.07083	3.2
189.09082	6.3
189.16362	4.0
190.08632	5.2
191.10727	6.3
203.10770	4.4
205.12271	5.1
205.19464	3.4
206.07983	13.1
217.12244	4.3
217.19319	3.1
245.22656	3.7
281.84979	2.7
300.11667	3.1
317.55972	3.5
354.17380	3.2
409.30865	6.4
466.33105	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	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88740	0.6
53.03951	0.8
55.01865	0.6
55.05512	1.2
57.03440	4.2
57.07077	1.1
57.84660	0.5
61.02927	1.5
62.88647	0.5
67.05507	3.3
69.03432	7.5
69.07062	2.2
70.45770	2.1
71.01364	0.7
73.02926	10.9
79.05505	7.3
81.03410	0.7
81.07063	100.0
82.07384	0.9
85.02913	12.9
87.04478	3.0
91.03979	0.8
91.05488	0.6
93.07079	1.0
93.32046	0.5
95.08615	16.0
97.02901	9.8
98.20798	0.6
109.02877	1.3
109.10172	1.0
115.03943	9.1
119.08564	0.6
123.11722	0.8
127.03928	3.9
131.08571	0.5
133.04988	9.8
137.13261	21.5
145.04955	5.8
163.06055	2.6
194.78841	0.6
195.86040	0.6
222.27843	0.5
223.06081	0.8
241.07249	1.7
259.08203	1.7
295.10443	0.9
394.84537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89292	1.2
54.88828	1.4
55.05514	2.2
57.03445	9.4
57.07068	3.1
61.02919	4.4
65.75373	1.7
67.05500	6.6
69.03428	10.2
69.07061	6.1
69.19360	1.3
69.62843	1.3
69.63892	1.4
70.33562	4.6
71.01315	1.7
73.02921	21.5
73.36183	1.8
79.05509	11.2
80.08581	1.5
81.07062	100.0
85.02910	19.5
85.03381	2.6
91.05509	1.9
93.07046	5.2
95.08612	23.8
97.02914	19.5
103.03975	1.4
107.08576	3.9
109.02886	1.9
109.10134	4.2
110.48381	1.6
111.11709	2.7
115.03945	17.6
127.03896	7.7
133.04958	6.8
137.13263	25.4
145.04948	8.9
150.07594	1.6
155.14276	1.9
163.06085	4.1
193.62608	1.8
223.06020	2.9
239.83528	1.7
269.17496	13.5
295.10254	2.7
304.77890	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01845	1.3
55.05503	1.2
57.03442	9.4
57.07075	2.2
60.04564	1.1
61.02927	2.3
67.05508	3.0
69.03078	1.4
69.03436	21.8
69.07073	2.8
70.06578	1.2
70.20042	2.5
71.04994	1.4
73.02572	1.1
73.02930	14.1
79.05498	6.7
81.03427	3.8
81.07063	100.0
82.44722	0.8
85.02911	30.4
87.04465	9.4
91.05492	4.6
93.07066	3.5
95.04971	3.2
95.08618	11.8
97.02899	24.1
97.10165	1.1
99.04457	1.5
103.05495	1.7
105.07025	3.1
107.04987	1.6
107.08607	3.5
109.02876	3.0
109.06543	2.0
109.10155	1.8
111.04416	1.1
115.03937	27.0
117.07008	1.4
119.08601	3.5
121.06519	54.2
121.10166	2.0
123.04434	2.7
125.09631	1.3
127.03931	6.4
131.08620	1.2
133.04977	22.7
133.10197	1.2
135.04408	1.5
135.08064	4.5
135.11763	1.1
137.06007	13.0
137.13266	58.4
145.04987	10.0
145.06540	1.8
147.08133	1.2
147.11725	1.4
149.08432	3.6
150.07643	3.6
159.04411	1.2
161.05989	1.9
163.06090	7.0
165.09186	2.5
166.26003	1.0
167.07077	4.2
174.06757	1.2
174.13959	1.3
177.21501	1.0
178.08760	2.4
180.10249	2.5
182.23445	1.2
191.03413	1.3
219.08069	2.1
221.09618	4.7
222.10449	1.5
223.06038	1.9
235.07663	1.2
236.08353	2.0
239.10806	3.3
241.07089	2.7
247.42703	1.1
249.09172	3.8
250.10040	1.8
251.10791	1.5
252.07755	1.7
253.12256	1.2
259.08093	5.3
265.08646	1.7
267.10187	14.3
276.07837	1.1
277.09119	1.0
281.11746	5.3
282.12494	17.1
282.15338	1.4
295.10135	6.7
299.15170	1.6
304.05304	2.0
317.19727	2.8
323.12775	2.3
341.13974	2.8
344.15076	4.1
431.18735	2.3
449.19589	8.3
466.12411	1.9
466.22348	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3004
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
50.38705	2.1
55.05508	3.7
57.07074	3.5
67.05505	14.8
69.07079	11.7
69.97593	10.9
79.05506	10.0
81.07059	31.2
82.56737	2.0
83.08652	3.9
91.05487	21.6
93.07052	24.3
95.04974	5.7
95.08611	19.7
97.02861	2.9
97.06557	2.3
105.07040	32.1
107.08592	25.1
109.06541	4.0
109.10159	11.0
111.98472	2.0
115.05415	2.4
117.07052	7.6
119.08588	67.4
121.06519	3.5
121.10153	12.3
123.11760	7.0
128.06248	4.5
129.07040	11.1
130.07768	2.1
131.08560	12.0
133.10141	15.0
135.08073	4.8
135.11693	13.9
141.07021	9.5
142.07800	22.6
143.08548	19.1
144.09334	4.0
145.06508	2.7
145.10144	22.9
147.08142	4.3
147.11665	13.6
149.09674	2.3
149.13269	5.0
151.07564	2.5
152.06250	2.3
153.07024	9.9
155.08554	24.5
155.76546	2.5
156.09363	2.6
157.10144	80.9
159.08081	3.6
159.11700	22.9
161.09673	3.7
161.13332	9.7
163.11115	2.5
163.14897	3.2
165.06949	3.8
166.07819	5.1
167.08606	16.2
168.09351	48.2
169.10112	11.8
170.10901	3.6
171.08101	2.3
171.11731	9.2
173.09685	6.3
173.13264	10.0
175.11246	4.7
175.14847	5.0
178.07811	3.1
181.06592	4.3
181.10135	24.5
183.08191	3.2
183.11702	100.0
185.13258	12.4
187.11249	4.5
187.14902	3.7
187.91301	2.2
193.10167	34.9
195.11777	6.5
196.08904	9.9
197.13367	3.6
199.11287	5.2
199.14865	6.5
201.09117	2.9
201.12770	5.0
201.16467	6.7
203.18016	8.0
209.13277	2.7
211.11198	84.0
213.13126	2.5
215.10754	3.2
215.14371	3.1
217.15977	3.7
219.17387	3.4
225.12758	2.5
227.10762	6.9
227.18127	3.1
227.89293	2.6
229.12207	27.1
241.12268	2.9
245.11700	11.3
265.16003	2.3
277.16049	2.4
285.22696	2.5
303.05103	2.6
335.19574	2.2
365.21216	3.4
401.28461	3.1
419.29733	2.9
429.28171	4.6
447.28979	15.1
465.19888	4.6
465.30170	81.3
466.30188	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05513	3.1
57.07066	1.2
59.01449	1.2
61.74379	1.0
67.05508	8.2
69.03426	1.2
69.07065	4.0
69.80109	4.4
77.37000	1.0
79.05501	8.0
81.07061	16.3
83.08622	2.6
91.05485	11.3
91.06591	1.0
92.05848	1.1
93.07048	11.6
95.04962	3.0
95.08621	13.7
98.20725	1.4
99.29013	0.9
105.07040	24.5
107.08607	15.3
109.06542	1.1
109.10174	11.8
117.07011	7.2
119.08589	22.2
121.06544	2.7
121.10139	7.1
123.08111	1.3
123.11742	6.5
128.06236	2.4
129.06985	6.7
131.08571	14.7
133.06509	2.1
133.10135	14.0
135.08064	5.2
135.11713	4.0
141.07036	1.8
142.07808	4.1
143.08571	12.4
145.10126	15.7
147.08072	1.3
147.11693	27.0
147.12781	1.8
149.09631	1.3
149.13292	1.8
155.08574	4.9
156.09367	1.5
157.10118	13.5
159.08087	2.4
159.11676	13.3
159.30609	1.0
161.09665	2.2
161.13277	9.4
163.14824	1.3
165.06993	1.4
166.07875	1.4
167.08559	2.9
168.09344	3.9
169.10176	5.0
171.08064	3.1
171.11679	8.9
173.09691	4.8
173.13239	6.5
175.11215	1.8
175.14880	1.6
181.10126	7.3
183.11679	8.8
184.08905	2.5
185.09665	2.2
185.13283	4.2
187.11238	1.6
187.14839	3.0
189.16373	5.6
193.10202	2.3
193.15787	1.2
195.11705	2.1
197.13277	1.5
199.11224	8.5
199.14906	2.4
201.16351	7.8
203.17966	100.0
204.18335	2.2
207.11914	1.2
209.13257	1.6
211.11192	7.5
211.14754	1.1
213.12619	1.2
213.16417	2.5
215.10567	1.5
215.14195	1.7
215.17940	14.7
217.12274	1.1
225.16461	1.3
227.10715	4.3
227.14156	1.3
227.17955	4.0
229.12279	4.5
231.13875	1.4
241.12209	2.2
245.11742	25.4
259.13293	8.6
281.15308	1.4
303.16928	1.0
401.28464	1.6
411.26895	1.3
419.29532	1.5
429.27820	8.0
447.29016	28.3
465.30139	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82020	3.0
53.03946	7.4
55.01859	11.4
55.05513	22.6
57.03436	10.3
57.07071	5.4
65.03941	6.3
65.49407	3.4
67.05510	87.0
69.03438	41.3
69.07071	24.7
70.59784	11.3
71.01350	7.1
71.04996	5.3
73.02895	3.4
76.46069	3.0
79.05500	68.0
81.03426	33.4
81.07066	100.0
83.05001	21.1
83.08613	13.1
83.56804	3.5
85.02908	14.3
85.06562	3.4
91.05499	59.7
93.07053	81.4
95.04978	26.7
95.08618	76.5
97.02901	34.0
97.06544	10.7
97.10165	7.1
99.04461	8.7
99.08148	4.0
103.03967	4.4
105.07038	66.8
107.04951	11.1
107.08613	54.8
109.02887	6.6
109.06504	11.7
109.10169	35.3
111.04464	24.0
111.08100	4.5
115.05470	5.6
117.07035	33.5
119.07794	6.0
119.08591	60.5
121.06488	9.1
121.10163	43.5
123.03527	3.0
123.04395	15.8
123.08044	7.9
123.11707	13.1
127.03921	10.9
129.06993	14.4
130.07826	7.6
131.07687	5.5
131.08577	45.4
131.11382	3.3
133.06538	4.0
133.10141	42.0
135.08089	10.5
135.11716	25.1
137.05986	4.8
137.13283	6.8
139.03902	9.2
141.05479	11.1
141.06999	8.3
143.08571	27.1
145.06483	7.0
145.10138	46.7
147.08073	7.2
147.11697	33.4
149.09695	4.2
149.13306	22.0
151.03902	6.7
151.11209	4.3
151.14857	3.6
153.05486	5.0
155.08577	12.3
157.10118	23.2
159.08104	6.9
159.11699	53.3
161.09619	11.7
161.13303	29.3
163.07568	5.1
163.11165	4.3
163.14812	10.8
167.08675	3.3
169.05020	23.8
169.10144	12.5
171.06633	5.5
171.08069	4.1
171.11685	19.7
173.09653	6.6
173.13232	22.5
175.07494	3.6
175.11284	4.7
175.14868	8.4
177.12852	5.5
177.34431	3.2
179.08636	4.0
179.14055	3.5
181.10139	11.5
182.10999	4.0
183.11674	11.0
185.04449	8.0
185.09589	6.7
185.13257	13.9
187.05984	5.1
187.11177	5.5
187.14828	12.3
189.12766	5.6
189.16388	8.1
195.11722	6.3
197.13263	7.9
199.11125	6.2
199.14821	14.4
201.16411	12.2
203.14276	7.4
209.13284	5.1
211.11270	3.6
211.14691	3.6
213.12856	4.5
215.14270	6.2
217.15930	8.9
221.13417	3.8
223.14845	5.9
224.94818	3.5
225.16383	4.0
229.12212	7.4
233.15344	4.9
241.19551	10.0
243.21146	9.0
259.20621	14.4
261.22168	31.0
263.23749	4.7
267.13803	5.1
277.21692	7.7
301.21695	3.9
303.04971	3.6
303.23367	7.4
313.21539	4.7
315.23288	6.9
329.24710	4.9
339.23135	5.5
345.24533	4.4
357.24313	7.9
358.75793	4.0
393.23984	6.3
401.28241	7.4
411.25287	16.9
419.29239	11.9
429.26700	27.8
433.90915	4.4
440.20914	3.7
447.28500	39.1
465.29321	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03943	7.3
55.01875	26.6
55.05509	25.7
57.03442	9.9
57.07064	3.9
65.03947	10.0
67.05508	93.1
69.03433	28.0
69.07075	24.6
71.01337	3.0
71.04980	6.8
71.55151	2.7
73.02908	4.7
79.05495	89.4
79.23203	1.7
81.03410	18.9
81.07062	93.4
83.01339	4.2
83.04975	10.9
83.08629	12.8
85.02906	37.3
85.06539	5.6
87.04430	1.9
89.51542	1.7
91.05479	58.4
93.03378	2.9
93.07047	100.0
95.01342	5.1
95.04973	22.4
95.08612	75.0
97.02900	24.0
97.06524	8.9
97.10176	5.2
99.04443	7.1
99.08086	3.0
101.02380	2.0
103.03973	4.0
103.05471	2.3
105.04559	3.1
105.07040	47.6
107.04976	2.1
107.08602	55.2
109.02877	4.8
109.06515	6.5
109.10164	30.5
111.04445	14.8
111.08064	4.5
113.09660	2.0
115.03958	6.3
115.05438	2.9
116.06245	2.8
117.07014	22.6
119.08587	37.4
121.06542	1.9
121.09319	3.5
121.10154	52.3
123.04406	16.5
123.08026	5.3
123.11700	11.2
127.03911	4.5
127.45824	1.8
129.06993	5.6
131.08572	39.2
133.06468	2.3
133.10135	29.7
135.08057	4.9
135.11703	39.2
137.09601	2.9
137.13260	5.4
139.03905	18.5
139.11157	3.8
141.05479	5.7
141.07036	3.2
142.07748	2.1
143.08575	8.9
144.09314	1.9
145.06493	2.5
145.10126	34.4
147.08034	2.8
147.11685	23.1
149.09634	3.2
149.13245	25.3
151.03900	10.2
151.14832	2.2
155.08609	3.3
156.09366	2.3
157.10161	17.2
159.06627	1.8
159.08040	2.3
159.11699	36.8
161.09666	2.5
161.13258	16.3
163.11176	2.5
163.14857	10.7
168.09367	2.4
169.04979	19.1
169.10146	6.9
169.35965	2.1
171.11707	8.4
173.13234	19.0
175.11139	2.9
175.14828	6.4
176.72983	2.0
177.16391	4.5
181.10121	2.3
183.11661	7.6
185.13246	5.5
187.06001	14.1
187.14838	8.8
189.09096	2.2
189.16362	2.3
193.10158	3.2
195.11755	3.3
197.13269	2.7
199.11201	3.6
199.14832	4.3
201.16400	5.9
203.05580	2.2
203.18056	2.2
207.11687	2.5
211.11215	4.0
213.12712	2.4
225.12729	2.4
229.12196	2.7
231.13972	2.0
233.22586	2.8
243.21132	15.9
245.11659	2.7
259.20554	3.3
261.22165	65.2
277.21490	2.2
303.05060	2.4
345.24268	4.8
381.45166	2.0
393.24326	2.1
399.25076	3.0
424.28864	2.0
429.26694	3.2
447.28000	13.4
465.27258	13.5
465.28464	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	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01873	14.4
55.05514	37.1
57.03430	12.1
57.07050	3.5
61.02913	5.7
62.64265	2.8
65.03630	3.3
65.03944	12.2
67.05508	91.4
67.05865	4.8
69.03079	5.6
69.03436	94.4
69.07078	21.1
71.01342	6.1
71.04992	13.6
71.57419	3.2
73.02924	7.3
74.13554	3.0
74.16962	3.0
79.05060	4.4
79.05495	64.2
81.03423	40.5
81.07064	100.0
83.04988	33.5
83.08615	11.9
85.02915	18.4
85.06520	5.1
87.04462	3.6
89.02354	3.0
91.05487	52.4
93.07047	65.3
95.04977	31.4
95.08613	78.2
97.02921	21.5
97.06525	9.4
97.10142	8.3
99.04486	8.1
101.02395	4.2
103.05483	4.8
105.07037	66.9
107.04940	9.5
107.08595	50.2
109.02875	11.1
109.06503	9.0
109.10163	37.1
111.04459	49.0
115.05476	3.1
117.07030	24.2
119.08589	48.7
121.06506	7.9
121.10159	38.2
123.04432	26.3
123.08105	8.7
123.11713	15.2
125.02320	5.5
125.09571	4.0
127.03891	11.6
128.06241	7.7
129.07019	13.5
130.07793	3.2
131.08580	33.9
133.06505	10.8
133.10115	30.7
135.08084	7.0
135.11700	30.1
135.99689	3.0
137.06009	5.4
137.09607	5.7
139.03886	22.2
139.11165	3.3
141.05455	20.9
141.07069	5.8
142.07780	6.5
143.08586	21.6
145.06503	6.5
145.10150	45.1
147.08002	6.7
147.11684	26.6
149.13214	17.5
151.03928	5.1
153.05429	6.9
155.08565	11.3
157.10138	26.2
159.08061	7.0
159.11702	35.9
161.09604	5.2
161.13278	20.6
163.14807	5.2
167.08510	4.2
168.09261	4.1
169.04974	20.1
169.10175	13.0
171.06514	5.0
171.11699	14.6
173.09630	9.0
173.13287	19.1
175.11215	5.5
175.14839	7.1
177.12767	4.1
181.10150	8.9
183.11716	12.0
185.09697	5.2
185.13290	13.4
187.06122	5.1
187.11084	3.9
187.14850	10.4
193.10126	3.9
195.11719	8.5
197.13251	14.9
199.11302	4.5
199.14780	10.9
201.09047	4.1
201.12744	3.8
201.16351	7.4
203.10797	3.6
207.11664	5.1
213.12747	5.5
213.16530	6.3
215.14407	5.9
221.13266	3.6
223.14771	6.9
229.12259	8.1
239.10794	3.9
241.15701	3.7
241.19641	4.0
243.21146	11.3
253.15895	4.0
259.20624	14.1
261.22134	33.5
267.16916	3.8
277.21622	13.6
292.46423	3.1
315.22891	5.9
369.24377	3.6
393.24423	4.3
399.25165	6.0
411.25323	8.8
429.26678	16.8
435.27710	6.6
447.28391	24.4
465.29221	40.8
482.17102	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	465.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.96204	1.1
63.76175	1.1
69.03432	2.6
69.07092	1.0
69.19971	1.1
70.72240	3.0
71.04981	1.6
79.05479	1.6
81.03427	1.5
85.02914	2.8
91.05502	1.8
93.07066	1.9
94.06573	2.6
97.02917	2.0
103.88963	1.4
106.06544	2.0
107.04917	1.3
108.08186	1.6
110.06065	1.7
120.04504	1.1
120.08099	2.1
121.06498	6.5
122.06053	1.5
123.04434	4.9
132.08067	2.4
134.06032	4.6
139.03914	2.0
140.07085	2.4
142.08655	1.9
146.06017	4.2
148.07578	5.2
149.05991	1.5
152.07060	1.7
160.07559	1.2
162.05537	9.6
164.07121	6.3
166.06267	4.6
168.06741	2.4
170.91252	1.3
174.07887	1.6
175.08699	1.8
176.07077	3.1
177.05551	1.1
178.08656	4.2
179.09013	1.6
181.08609	8.7
185.10800	1.6
188.07169	1.3
188.74850	1.1
194.08124	3.1
199.08707	4.2
200.09427	1.5
201.10263	5.7
202.08688	1.2
206.08191	1.3
208.09729	1.2
213.10243	3.9
214.08772	2.6
214.10925	1.8
215.11835	5.2
216.01587	1.1
225.10159	1.2
227.08157	2.5
227.11829	5.2
229.09769	4.1
229.13420	2.4
239.11810	3.2
241.09805	3.6
241.13365	2.4
242.08121	1.4
243.11304	4.9
253.13470	1.6
255.11288	9.9
256.12134	2.2
257.12924	3.5
259.10837	1.8
267.11325	2.6
269.09424	2.0
269.12915	5.9
273.12411	4.4
274.13174	1.5
275.13947	2.4
281.12933	2.5
283.10806	2.5
285.12411	2.5
287.13821	5.7
295.10889	2.5
297.12415	6.1
298.13272	2.2
299.13922	12.1
301.11829	1.8
302.12567	2.5
303.04996	1.7
303.13504	11.1
311.13739	1.3
315.13440	30.4
316.14188	16.8
317.14877	4.5
325.11572	1.4
327.13513	1.7
329.15149	2.2
343.12906	4.1
345.14603	2.5
355.16476	2.0
357.14606	3.0
365.14847	1.6
369.14624	2.2
375.15582	11.8
383.16034	3.5
387.15631	2.7
393.14319	4.0
399.15628	11.6
401.16891	2.4
411.15607	9.3
419.18085	2.0
429.16647	36.5
447.17648	71.0
448.17950	2.4
465.18723	100.0
466.18649	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	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
54.11297	1.4
57.03439	33.5
59.04985	1.9
61.02929	12.5
66.89425	1.5
67.05492	3.1
69.03075	2.8
69.03433	41.4
69.07078	2.8
70.73615	3.4
71.01359	4.0
71.05016	1.9
73.02921	71.9
77.03893	2.0
79.05499	23.1
81.03432	7.9
81.07065	5.1
83.01308	1.5
85.02908	100.0
87.04476	4.2
91.03973	2.8
91.05483	11.1
93.07050	57.6
95.04990	3.3
95.08611	2.0
97.02897	52.1
99.04435	3.7
105.07049	6.7
107.08604	39.5
109.02880	9.0
113.02330	1.6
115.03935	40.7
117.06990	2.4
119.08596	4.2
121.63567	1.4
127.03928	24.1
129.07047	2.1
132.06570	1.7
133.05005	13.3
133.10132	9.0
135.11702	97.9
137.05902	1.6
145.04968	30.3
150.07623	5.5
159.11710	1.7
163.06055	9.0
182.22253	1.8
184.07390	1.9
191.08479	2.3
193.04918	1.9
208.75887	1.6
220.08826	2.6
223.06085	6.5
235.07558	6.0
241.07133	4.4
246.95547	1.5
247.07468	3.6
248.08150	1.6
259.08151	2.6
263.07043	19.2
267.16046	2.2
275.61090	1.6
277.08676	2.3
278.09384	39.9
279.09808	2.0
295.10321	3.4
417.13577	2.8
447.14453	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	465.103
Annotation	Hyperoside
Peak:m/z	Relative Intensity
53.03942	0.5
61.02927	2.2
68.99822	0.4
69.03432	3.0
69.89620	1.7
69.89996	0.8
72.16453	0.3
73.02898	0.5
81.03409	1.5
85.02435	0.6
85.02915	8.1
87.04475	0.5
91.03948	1.1
97.02906	3.6
99.04512	0.6
105.32885	0.4
109.02860	1.2
111.00780	1.1
111.88369	0.4
121.02864	1.0
127.03947	2.0
132.33704	0.4
137.02361	3.7
145.04967	0.7
153.01855	4.1
155.04903	0.5
165.01802	1.9
166.02107	0.4
173.06007	0.8
183.02908	0.6
183.04475	0.5
187.04034	0.5
201.05447	1.9
212.36632	0.4
219.02731	0.4
229.04953	5.3
232.16840	0.5
246.05391	0.5
257.04440	2.5
274.04813	0.5
285.04016	1.1
298.51892	0.4
303.05011	100.0
304.05466	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	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01876	16.8
61.02916	1.6
62.95889	0.8
67.05516	1.7
68.99784	2.9
69.03423	5.3
70.06597	1.4
71.11881	1.5
71.12210	1.8
77.03931	1.5
79.05479	1.2
81.03432	1.6
83.01373	2.4
85.02911	18.1
89.19096	1.0
91.05478	2.0
95.04961	3.4
97.02896	3.8
99.00831	1.0
102.05605	0.9
105.03380	2.1
107.04960	3.9
109.02883	6.2
111.04435	1.9
112.01893	1.1
116.51379	1.0
119.04927	2.8
121.02813	1.7
123.04443	100.0
124.04772	1.7
124.42378	1.0
125.02415	1.5
127.03909	1.8
133.02817	1.9
135.04417	8.0
137.02342	5.6
137.05981	1.3
139.03920	7.4
140.07140	1.0
141.01833	4.0
141.08958	1.0
147.04408	8.7
149.02388	5.6
149.05981	1.9
151.03922	9.2
153.01781	2.4
159.04497	1.1
161.02364	1.3
161.05997	1.4
163.03970	6.3
164.07114	2.9
165.01859	9.9
165.05516	4.7
175.03941	2.3
177.01878	6.5
177.05478	4.9
178.08633	1.1
179.03424	14.3
183.02913	29.1
187.03955	2.5
189.05414	1.7
191.03401	4.7
193.04971	2.1
195.02921	5.3
203.03392	2.2
205.01314	3.7
205.04924	6.0
207.02855	8.2
209.04482	1.6
217.05051	1.8
219.02908	1.9
221.04451	5.6
223.02412	14.2
229.05159	1.1
231.02850	2.1
233.04503	13.5
235.02399	2.5
249.03949	11.2
261.03955	9.2
267.04971	32.4
277.03445	1.5
279.04861	5.5
289.03540	1.5
295.04391	7.6
297.06091	14.0
299.05310	1.2
303.05115	3.7
307.04520	1.2
313.05545	40.9
317.06598	2.2
321.06345	3.2
325.05469	3.9
359.07593	2.8
369.06100	2.6
393.06116	1.2
401.08865	2.8
411.07294	5.1
419.09674	2.1
429.08188	6.9
447.09064	6.1
465.09973	6.6
465.15768	4.4
465.19376	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	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01865	2.2
55.05504	3.0
57.03439	17.7
59.64655	0.8
61.02938	5.1
65.03949	0.9
67.05521	1.9
69.03085	1.1
69.03436	17.7
69.07065	1.5
71.01347	2.3
71.51321	1.2
73.02921	30.0
73.81184	0.8
79.05061	1.2
79.05495	14.6
81.03401	2.8
81.07058	2.1
81.93790	0.8
85.02910	30.2
87.04456	3.3
91.05493	10.6
93.07051	58.5
94.07393	0.8
95.04951	3.6
95.08601	1.3
97.02899	26.7
99.04477	1.8
103.03941	1.0
105.04530	0.7
105.07036	5.0
107.04958	1.1
107.08604	59.8
109.02878	3.5
109.06507	2.3
115.03168	1.2
115.03943	19.9
119.08592	3.6
121.10134	1.0
123.04430	1.3
127.03919	10.6
132.06593	0.9
133.04980	9.7
133.10118	2.6
135.11703	100.0
136.12007	0.9
137.06029	0.8
143.08536	1.0
145.04967	11.6
147.11688	1.4
150.07623	2.3
155.59166	0.9
159.11632	1.1
163.06047	4.0
175.11024	0.8
177.12700	1.1
193.04979	0.9
219.13640	0.9
223.06024	2.0
231.13744	1.2
241.07054	4.1
249.14833	1.4
259.08133	2.8
261.14740	1.4
295.10214	2.2
302.07440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01869	1.5
61.02925	1.8
67.03925	0.7
69.03443	3.0
69.22286	3.4
69.22712	2.9
72.12382	0.6
79.05486	1.8
81.03416	1.1
81.82954	0.5
85.02919	6.8
87.04466	0.7
91.05490	0.9
93.07049	1.3
95.03376	0.7
95.04948	1.5
97.02885	3.4
98.21452	1.3
99.04486	1.5
103.05479	1.6
107.04963	100.0
108.05310	0.9
108.53678	0.6
109.02868	1.0
117.07054	1.3
119.04967	1.6
121.02907	1.0
121.06506	8.4
123.04433	3.9
127.03942	2.0
131.04933	14.0
133.06477	0.8
137.06036	0.7
143.04922	1.4
145.04927	0.7
145.05333	1.0
145.06505	11.1
147.04427	5.1
152.04745	0.6
153.05492	10.9
153.06726	0.9
159.04424	21.0
160.05185	0.6
163.06264	0.9
163.07518	0.8
167.07088	2.0
175.07578	1.0
176.04683	1.2
178.08653	2.8
179.05728	1.2
179.07063	2.5
179.08630	2.3
183.08107	1.5
185.09616	1.0
191.07054	8.9
194.08200	5.3
197.09683	1.3
207.07976	3.5
219.29872	0.6
225.09090	9.0
235.07587	2.0
253.08620	20.1
254.09332	1.3
255.06573	1.5
256.07434	0.6
270.08932	2.7
285.11249	37.4
286.11740	0.7
287.05191	1.0
301.06992	1.8
302.07495	3.7
302.13885	60.8
303.14258	1.5
464.19202	75.5
465.19574	3.3
477.65161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
54.60670	1.4
55.01873	5.6
55.05523	3.5
57.03445	13.7
59.04993	1.4
61.02933	8.6
61.45393	1.3
67.05509	3.7
69.03434	22.8
69.07072	2.8
71.01369	3.0
71.04983	2.1
71.07018	3.5
73.02924	44.6
79.05499	16.5
79.97444	1.4
81.03420	5.8
81.07063	6.2
83.05000	2.0
85.02913	51.2
87.04472	3.2
91.03947	2.0
91.05492	17.1
93.07051	66.5
95.04960	3.5
95.08614	4.8
97.02905	34.3
99.04490	3.5
105.07018	8.1
107.08604	67.6
109.02901	6.0
109.06539	2.2
109.10163	2.7
115.03938	19.9
117.07019	2.5
119.08580	5.6
123.04422	6.2
123.11726	2.3
127.03924	16.0
131.08527	1.4
133.04964	17.6
133.10172	7.7
134.10529	3.4
135.11703	100.0
145.04970	20.8
147.11699	2.3
150.07646	1.9
159.11693	3.0
163.05981	8.0
165.05487	3.3
177.12637	1.7
223.06012	3.1
231.13817	2.4
241.07115	4.4
249.14909	2.1
259.08191	5.2
267.15829	1.7
295.10278	2.2
302.07312	1.7
303.05029	2.6
312.16370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
53.03943	2.4
55.01868	2.8
55.05518	24.0
57.07086	10.4
61.32082	1.4
67.05497	8.9
69.07071	24.1
71.08625	1.9
71.56400	1.9
73.02916	1.7
79.05494	7.9
81.07070	15.8
83.04990	47.8
83.08623	13.1
91.05504	10.4
93.07062	17.4
95.04954	2.9
95.08620	20.3
97.06540	1.6
97.10159	6.0
99.08082	1.8
105.07031	12.6
107.08599	9.7
109.06525	6.0
109.10175	9.9
111.08080	5.7
111.11699	2.0
117.07013	5.4
119.08589	11.3
121.06515	34.1
121.10157	5.6
123.08091	5.6
123.11716	4.7
127.07542	13.6
128.06247	3.1
129.06963	2.7
131.08580	6.6
133.10153	6.1
135.08066	16.2
135.11716	4.6
137.09639	9.3
137.13287	2.8
139.07555	68.9
141.06946	2.4
142.07787	2.9
143.08572	6.2
145.10196	8.6
147.11665	2.2
149.09644	4.2
149.13306	2.8
151.07570	3.3
153.09119	7.5
155.08611	3.9
156.09383	2.8
157.10081	8.7
159.11728	6.1
161.09738	2.2
161.13283	3.2
163.07576	12.3
163.11220	2.8
165.09149	8.5
167.10664	3.6
169.08620	2.0
169.10164	3.7
171.11684	5.2
171.13824	17.7
173.09636	3.6
173.13226	2.5
175.11218	1.8
177.09085	3.3
181.08612	15.0
181.12276	3.3
183.11731	2.8
185.09637	2.1
185.13237	2.5
189.16325	2.1
195.11859	2.2
197.09872	1.9
199.14876	4.4
203.17915	1.9
211.11259	1.8
215.14351	1.7
215.17941	1.9
217.15804	2.6
237.14862	2.2
307.22720	2.2
445.27023	5.2
445.36871	69.3
446.37137	2.1
463.27960	10.6
463.37860	100.0
464.38120	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	464.1919
Annotation	Naamidine B
Peak:m/z	Relative Intensity
53.03936	1.5
55.01855	0.9
56.25763	0.4
57.03434	2.9
61.02927	3.6
62.04524	0.4
69.03083	0.6
69.03436	11.2
71.05000	0.7
71.55740	0.6
73.02907	1.7
74.08680	0.4
77.03933	0.5
81.03424	3.3
85.02914	13.6
86.09701	0.5
87.04458	1.9
91.05475	1.7
95.04965	0.6
97.02909	5.6
99.04446	1.5
103.03923	0.6
104.05308	0.8
105.03394	0.6
107.04958	1.0
109.02883	1.9
115.05466	7.6
119.04948	1.5
123.04440	50.2
127.03921	2.9
129.06961	0.4
131.04904	1.8
137.04994	0.9
137.05983	9.8
143.04932	27.4
144.05586	0.8
145.04974	1.2
147.04428	0.7
151.03937	0.5
151.07568	3.0
154.04990	0.8
160.05208	3.8
161.05984	5.6
163.06314	8.2
163.07568	1.6
164.06989	0.6
175.07570	24.3
176.08310	1.7
178.08647	87.4
179.08585	2.9
192.10237	0.4
207.08066	4.1
225.09114	3.5
235.07513	2.6
239.10733	0.5
253.08662	5.1
254.09270	0.7
255.06512	0.6
264.10184	0.7
270.08878	1.7
274.20517	0.4
285.11240	25.5
302.13879	32.9
452.69312	0.5
464.19199	100.0
465.19647	2.9
467.65823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05515	15.5
57.07080	33.9
58.22648	1.6
67.05507	7.7
69.07078	26.0
70.16937	3.8
71.08634	25.8
79.05496	6.8
80.61000	1.4
81.07055	20.0
83.08620	16.4
85.10174	13.4
91.05488	5.4
93.07024	9.1
95.08608	16.6
97.06520	3.4
97.10172	10.4
98.21507	2.6
99.04451	3.8
99.11707	2.3
103.38968	2.0
105.07029	6.3
107.08594	4.9
109.06528	14.1
109.10148	8.1
111.08145	2.6
111.11721	4.0
119.08574	6.4
121.06535	2.5
121.10154	5.1
123.08058	11.1
123.11723	3.3
125.06010	15.0
125.09647	2.8
127.07563	43.9
133.10112	5.1
135.08051	3.6
135.11636	3.7
137.05998	5.8
137.09610	4.3
139.07544	100.0
145.10101	2.0
147.11653	3.9
149.05956	1.9
149.09613	2.6
149.13268	2.4
151.07506	7.4
161.13203	2.0
163.07558	2.0
165.09120	3.1
167.07054	4.8
177.09137	13.2
179.10716	1.8
219.13794	2.0
235.02623	1.6
249.14774	2.0
301.28833	5.1
305.24231	1.6
319.29971	12.9
322.30640	1.5
347.33121	17.6
373.30954	6.3
399.36240	4.4
403.35992	1.7
417.37247	21.6
427.35712	3.7
445.27164	2.3
445.36789	56.0
463.37875	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.0
55.09720	1.6
57.07085	33.5
67.05514	9.1
69.07078	24.3
71.08635	23.8
71.42633	2.1
79.05492	6.5
81.07058	17.7
83.08635	16.2
85.10200	12.9
91.05463	4.4
93.07043	8.7
95.04945	1.7
95.08611	17.4
97.02889	2.1
97.06545	4.5
97.10160	9.6
99.04437	5.2
105.07016	8.0
107.04952	2.3
107.08592	5.7
109.06533	12.8
109.10161	7.5
111.08054	2.5
111.11709	4.6
119.08586	5.9
121.06477	2.7
121.10148	3.6
123.08090	9.2
123.11723	2.9
125.05994	13.6
127.07561	40.0
133.10147	3.3
135.11752	2.6
137.05997	4.7
137.09627	4.1
139.07553	100.0
145.10078	2.1
147.56732	1.6
149.06000	4.4
149.13290	2.0
151.07562	6.9
151.14818	2.3
159.11658	2.7
161.13354	1.8
163.07521	2.0
165.09088	2.2
167.07037	6.2
169.08676	1.8
177.09116	11.1
179.10669	1.8
193.12270	2.8
268.52512	1.6
276.07947	1.6
279.49066	1.6
301.28769	4.7
319.29984	9.9
339.65933	1.9
347.33145	15.2
373.30942	4.1
399.36099	2.3
403.82864	1.7
417.37372	16.1
445.36734	32.9
463.37845	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	463.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.5
54.24244	4.3
55.01864	4.5
55.05501	14.4
65.03934	7.9
67.05509	38.7
69.03431	14.8
69.07065	21.2
70.38464	6.5
70.38816	16.0
79.05494	42.1
81.07062	83.3
83.04991	9.8
83.08627	10.9
91.05491	67.6
93.07044	74.7
95.04979	18.3
95.08622	53.8
97.06537	10.9
105.07031	96.5
107.04983	7.3
107.08601	82.4
109.06514	16.3
109.10181	36.9
111.08065	6.1
115.05476	11.0
117.06995	29.0
119.08595	77.3
121.06525	17.0
121.10149	59.9
123.08114	7.1
123.11712	10.3
125.09634	18.5
128.06236	12.9
129.07047	27.7
130.07820	4.5
131.08566	52.9
132.93007	4.9
133.06525	8.4
133.10127	56.8
135.08063	31.5
135.11710	28.5
137.05969	6.7
137.09665	5.8
141.06978	14.7
142.07793	22.4
143.08601	44.5
144.09261	5.0
145.06479	10.9
145.10138	59.2
147.08087	11.1
147.11722	21.6
149.06064	5.2
149.09660	6.1
149.13234	9.3
151.07581	7.1
151.11192	12.4
153.07001	8.4
155.08569	27.7
156.09344	16.1
157.10138	58.3
158.07262	5.8
159.08118	12.6
159.11717	51.7
160.08842	4.9
161.09622	11.2
161.13283	15.3
163.07529	6.1
163.11224	6.4
165.07042	11.8
166.07797	9.4
167.08598	12.0
168.09378	11.0
169.10161	27.9
171.08043	12.2
171.11711	27.3
173.09641	21.3
173.13231	17.5
175.11212	13.4
177.12750	5.9
179.08542	8.1
181.10190	28.5
183.08167	9.1
183.10246	5.1
183.11659	25.9
185.09662	10.4
185.13260	16.9
187.11215	7.6
187.14838	11.6
189.16394	5.8
189.64244	4.9
192.09412	7.0
193.10130	15.0
194.10898	5.5
195.11726	17.8
195.45834	4.3
197.09653	13.8
197.13232	15.9
199.11198	33.2
199.14935	23.0
201.09155	5.8
201.12772	6.0
201.16411	22.5
203.10619	5.0
203.17941	8.8
207.11606	9.7
209.09721	10.0
209.13274	14.3
211.11186	11.0
211.14865	10.5
213.12646	6.7
213.16374	12.0
215.10709	5.4
215.14243	8.5
215.17982	7.7
217.12291	7.5
217.15814	5.3
218.10902	4.6
219.17462	7.8
221.13338	11.3
223.11285	6.7
223.14926	5.5
225.12860	7.8
225.16382	7.6
227.10701	20.0
229.12192	7.4
233.13303	9.4
235.11298	5.9
235.14738	9.0
237.12810	5.6
243.10172	9.5
245.11722	71.4
247.14882	7.1
249.12788	8.6
251.14409	5.1
255.13982	5.1
261.11115	9.0
269.11676	8.7
297.15042	5.4
299.16385	9.0
309.18423	5.4
311.16473	7.1
313.17957	6.2
319.17050	5.7
325.18002	13.3
377.21130	10.3
381.20856	5.0
399.27014	6.5
403.22504	5.6
413.92621	4.6
417.27957	13.4
427.26178	12.9
445.27515	46.8
463.28638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
51.11789	0.8
52.85500	0.7
58.24257	0.8
69.25523	5.4
69.25948	2.9
69.33018	0.9
71.97132	0.8
85.02898	1.9
91.67780	0.9
109.02904	1.1
121.02802	1.0
133.14317	0.9
141.01886	1.4
149.02405	1.5
149.05945	3.2
151.03902	4.6
163.03923	0.9
165.01842	10.4
167.03407	1.9
173.62592	0.9
175.03992	1.2
183.02939	2.5
187.03793	1.1
189.01782	1.0
195.02943	1.7
254.05623	0.9
261.03967	1.4
270.05255	3.7
271.05963	3.0
282.05209	5.5
286.04623	2.0
296.06824	9.8
297.07639	3.0
298.01627	1.3
298.04761	18.6
299.05386	1.1
300.06287	6.7
301.07083	4.7
308.06683	1.3
310.04770	4.3
310.08365	3.3
311.09091	4.5
312.02722	1.1
312.06213	2.0
313.07053	100.0
314.07593	7.0
320.06854	2.0
324.06348	10.3
325.07162	6.9
325.10675	1.6
327.04950	1.0
327.08606	2.1
328.05786	15.5
335.09180	1.5
336.06323	2.2
337.07022	1.4
338.07874	7.0
339.04871	1.8
339.08640	15.9
341.06705	1.5
343.08130	67.8
344.08563	2.0
348.06229	1.6
349.06744	1.1
351.08582	1.5
352.05469	1.2
353.10251	13.4
363.08661	2.6
364.05792	1.7
367.08127	42.7
376.05881	1.7
379.08228	9.5
381.09686	3.0
391.08109	8.0
394.06918	3.1
397.09204	21.6
409.09192	21.6
427.10260	22.5
445.11316	11.2
463.12289	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
70.07677	0.1
70.90495	0.3
123.04320	0.1
139.03900	0.1
145.73370	0.1
153.01828	0.3
156.83406	0.1
160.80377	0.1
161.74200	0.1
229.04883	0.3
257.04486	0.2
258.05243	16.0
259.05646	0.4
286.04721	35.9
287.04999	0.6
301.07062	100.0
302.07437	2.5
320.51447	0.1
406.72278	0.1
445.20734	0.1
463.12689	0.6
474.25653	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
54.39987	0.7
54.75801	0.9
57.03428	3.2
57.31261	0.6
62.15479	0.7
62.50655	0.8
63.78891	0.6
70.39223	2.5
71.04998	26.0
75.04487	1.2
85.02911	26.6
93.03368	0.9
98.20942	1.0
99.88145	0.9
104.47911	0.8
109.99957	0.8
121.02880	0.9
129.05495	5.3
151.03996	1.2
153.01831	6.4
164.06979	0.8
165.01750	0.9
215.82762	0.8
228.04170	2.1
229.04985	2.6
245.04480	1.7
246.05269	1.4
257.04611	1.8
273.03937	1.5
274.04733	4.3
282.32599	0.8
285.03894	3.1
286.04611	1.8
301.07101	3.4
301.32648	0.8
302.04224	10.1
317.06586	100.0
318.06934	2.3
329.06778	1.0
399.86584	0.8
403.45273	0.9
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	Isoscoparine
Peak:m/z	Relative Intensity
50.46032	0.8
51.37960	0.8
71.14320	1.8
79.01839	1.6
81.03417	1.4
85.02897	2.4
109.02820	0.9
119.08504	0.8
123.04463	1.4
137.02333	7.4
141.01820	1.0
149.05991	2.3
151.03925	14.2
151.05052	1.6
165.01830	6.5
167.03410	0.9
171.03017	0.8
175.04001	1.9
177.01854	2.1
183.02908	2.2
187.03867	1.2
189.05505	1.3
192.04247	0.9
193.05026	0.8
195.02960	1.0
204.19505	0.9
205.05025	1.3
215.03517	0.9
216.04269	1.2
217.04953	5.1
229.05034	1.1
231.06540	0.9
241.08713	1.3
243.02878	2.2
243.06606	4.9
259.06009	1.3
261.03943	2.3
270.05212	4.2
271.05988	4.0
272.06845	3.6
282.05258	2.9
283.06061	1.7
284.06790	1.8
285.07642	2.9
286.04825	1.9
286.08389	3.7
295.06055	1.8
296.06805	3.7
297.07666	1.5
298.01587	1.8
298.04718	19.4
299.05460	4.8
300.06302	10.4
301.07016	3.3
301.15594	1.7
309.07578	1.4
310.04755	5.4
310.08328	4.9
311.05487	8.0
311.09058	2.1
312.06320	10.2
313.07056	89.5
314.07806	21.8
314.11304	1.6
315.08472	1.0
324.06302	6.9
325.07050	13.3
325.10602	1.5
327.05032	1.4
327.08633	12.1
328.05801	23.0
336.06253	1.0
337.07114	1.8
338.04025	0.8
338.07806	11.8
339.05127	0.9
339.08670	6.2
340.05869	1.8
341.06503	3.0
343.08133	100.0
344.08591	2.3
348.06503	1.6
351.08615	1.3
352.05786	3.1
353.06329	1.5
353.10190	17.4
355.08234	3.4
357.09793	1.2
364.05652	1.3
366.07437	1.6
367.08173	26.4
373.09268	6.3
379.08029	3.5
381.09686	5.8
385.09137	2.0
391.08142	3.5
394.06979	1.2
397.09207	19.5
397.14026	1.4
398.09708	1.0
409.09183	15.2
427.10284	36.6
427.16162	1.8
428.10883	1.5
445.11328	50.6
446.11246	1.5
463.12363	75.6
464.12720	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	462.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27501	0.3
55.01873	1.1
57.03437	2.9
61.02928	2.3
69.03441	3.5
69.13404	0.3
70.05157	1.1
70.05573	0.8
71.01350	0.8
71.05002	0.4
73.02923	12.7
75.04491	0.5
79.05479	0.7
81.03400	0.6
85.02912	8.5
85.07852	0.4
89.79158	0.3
91.03962	0.5
91.05486	3.9
93.07043	1.2
97.02895	6.4
99.04456	0.4
105.07037	20.1
109.02884	0.7
115.03944	3.8
115.05453	0.7
117.07035	1.2
118.07816	1.5
119.08600	0.5
127.03899	2.0
129.07011	1.1
131.08575	2.9
133.04979	3.1
133.10139	100.0
134.10486	1.1
143.08562	0.4
145.05000	2.9
145.06459	1.0
147.11682	2.5
150.07654	1.3
157.06520	0.6
161.04478	0.5
163.06010	1.2
171.11700	0.9
173.13228	0.7
175.11212	2.1
187.11203	1.1
199.11218	1.1
201.12958	0.4
215.42082	0.3
217.12384	0.5
223.06087	0.8
229.12273	1.1
241.07114	0.8
247.13329	2.7
259.08151	0.8
259.13367	0.6
302.04291	0.8
317.06543	4.6
353.48026	0.4
396.89001	0.4
446.34695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04046	0.3
57.03445	4.8
61.02941	1.7
69.03437	2.6
70.05959	0.7
70.06364	1.3
71.01358	0.4
73.02922	10.6
78.23565	0.3
79.05495	0.6
85.02914	5.2
87.04492	0.4
91.05493	3.4
93.07038	0.8
97.02905	6.2
103.05434	0.4
105.07040	18.5
106.92516	0.3
107.08553	0.4
107.99536	0.3
109.02884	0.4
115.03933	4.9
117.07014	1.4
118.07812	1.2
119.07762	0.3
119.08562	0.4
127.03926	1.2
129.07062	0.4
131.08557	1.8
132.06578	0.6
133.04988	1.1
133.10141	100.0
134.10460	1.5
145.04988	1.8
145.06425	0.6
147.11713	2.3
150.07640	1.3
163.06032	0.5
171.11760	0.4
175.11212	1.0
187.11273	0.9
199.11218	0.6
201.12874	0.4
217.12212	0.5
223.06100	0.6
229.12212	0.7
247.13356	1.3
259.08136	0.4
259.13382	0.6
277.14401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34627	0.7
53.02006	0.7
55.47377	0.6
56.72102	0.6
57.03443	0.7
57.20716	0.7
57.46845	0.6
69.03436	2.5
70.81243	0.8
70.81628	1.9
73.06577	1.3
75.11309	0.6
75.68423	0.6
76.37414	0.9
78.27715	0.6
79.04648	0.6
79.05502	1.1
81.03416	0.8
85.02905	4.9
91.05492	2.5
93.07034	1.1
95.04980	0.8
97.02883	1.6
99.04467	0.8
99.44597	0.7
100.16747	0.6
103.05473	1.2
105.07036	1.3
107.04962	89.8
114.09186	0.7
115.05473	7.7
117.07013	1.6
118.06489	0.8
119.04980	1.0
119.88538	0.6
120.04465	0.8
121.02885	1.6
121.06521	7.5
127.03912	1.1
131.04955	2.0
131.08554	0.9
132.08128	1.0
136.07568	1.2
137.05981	10.5
139.03943	0.8
143.04935	17.0
145.06491	8.6
146.06018	1.4
147.04364	0.8
147.06332	0.9
147.08058	0.7
151.07553	2.3
157.10184	0.9
157.40161	0.7
159.04413	1.0
160.07617	1.2
161.08096	0.8
163.07556	2.2
164.07072	2.4
166.05034	1.0
174.09158	0.8
175.07611	7.2
176.06982	0.7
177.07854	1.6
177.09203	1.1
178.08620	3.1
180.10204	2.2
181.06494	1.1
181.10126	1.2
191.08582	2.1
192.10208	14.6
194.07347	2.2
206.11893	0.9
209.09625	4.5
210.06740	0.7
211.11090	0.9
219.08070	1.0
225.09186	1.0
237.09102	8.6
246.41591	0.7
247.13359	1.5
254.09450	1.2
265.14386	3.0
269.11740	21.4
271.13333	1.1
282.11319	2.0
283.15704	0.9
298.12830	1.3
299.12967	0.8
300.12723	6.2
300.15952	100.0
301.16351	2.8
415.13663	1.1
434.47394	0.7
462.21320	88.0
463.21902	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2125
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
53.03947	1.2
57.03451	1.0
59.59011	0.5
61.02923	0.9
69.03442	3.2
71.08131	1.0
72.64237	0.6
73.02893	0.9
77.56158	0.6
79.05494	0.9
81.03415	0.7
85.02906	4.7
87.04476	0.7
91.05493	1.7
93.07044	1.0
95.04987	0.8
97.02894	1.7
99.04410	0.6
103.05449	0.8
107.04964	60.4
108.05293	1.1
109.02879	0.6
115.05469	7.4
117.06981	1.2
119.04919	0.6
120.94293	0.5
121.02917	0.7
121.06519	5.9
123.04417	0.7
127.04000	0.9
131.04974	1.5
137.05980	6.7
141.05177	0.7
143.04933	13.7
145.06506	7.3
145.85359	0.7
149.06004	0.9
151.07564	1.2
155.06151	0.7
161.06039	0.8
162.06693	0.7
162.09241	0.9
163.07587	1.1
175.07535	6.4
177.07898	3.1
177.09163	0.6
178.08720	1.3
180.10257	2.1
181.06490	0.7
181.10182	0.7
191.08568	1.0
192.10205	16.5
194.07272	1.3
195.08081	0.7
197.09676	0.7
206.11771	0.9
209.09610	5.4
219.07957	1.2
237.09030	5.2
239.07123	0.7
241.86624	0.6
254.09583	0.6
263.41391	0.6
269.11755	14.5
283.08679	0.7
288.81277	0.6
300.15964	33.4
301.16397	1.2
310.12680	0.6
310.61700	0.6
389.64670	0.6
396.06204	0.6
432.96274	0.6
462.21292	100.0
463.21497	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.212
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
53.03933	0.8
55.07229	0.5
57.03432	0.6
58.21964	0.6
61.02927	0.7
66.65199	0.5
69.03435	3.3
71.05039	0.6
71.26620	1.3
76.16227	0.5
79.05490	1.0
81.03407	1.8
81.07078	0.8
84.71716	0.6
85.02917	6.4
87.04442	0.6
91.05482	2.9
93.07030	0.8
95.04967	0.9
97.02899	1.6
99.04453	0.8
101.35294	0.5
105.07033	1.5
107.04965	0.9
109.06541	1.6
115.05456	11.9
121.06510	100.0
122.06865	0.9
127.03883	0.7
127.87930	0.6
133.06462	0.7
135.08073	7.2
137.05984	13.1
143.04936	24.8
144.05733	3.3
145.04991	0.8
145.06454	1.1
145.10136	0.6
147.08006	1.1
151.07570	1.6
154.08638	27.9
159.08067	9.3
160.05139	1.1
161.06052	0.9
161.84314	0.7
163.02676	0.6
163.06308	1.1
175.07553	13.2
178.08641	12.6
191.08566	1.0
192.10211	0.9
208.08817	3.0
219.08195	1.0
223.11145	5.8
229.12270	0.9
236.08363	1.4
243.68140	0.6
251.10716	7.7
253.08664	2.0
268.11060	1.5
283.13306	24.8
298.14328	0.9
300.15958	51.7
301.16367	1.2
418.93900	0.8
419.90100	0.6
462.21249	90.3
463.21466	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01870	10.9
55.05516	7.6
57.03426	5.7
57.07077	22.5
61.02912	3.4
65.03944	2.8
67.05179	1.8
67.05506	18.5
68.99786	1.9
69.03433	23.2
69.07055	6.7
71.01363	2.0
71.04996	2.6
71.08633	17.7
71.11918	1.7
71.12260	1.9
73.02911	2.3
76.39668	1.4
79.05479	6.2
81.03418	23.9
81.07066	20.5
83.04990	10.0
83.08616	7.6
85.02909	27.7
85.10182	7.8
91.05495	8.5
93.07045	5.5
95.01301	2.6
95.05005	7.6
95.08610	21.8
97.02892	39.2
97.10150	5.3
99.04458	8.7
103.03946	4.6
103.73885	1.6
105.07028	6.6
107.08594	6.1
109.02885	49.0
109.06519	1.9
109.10159	9.8
111.00768	2.1
111.04463	10.4
113.02383	3.4
115.03926	2.2
117.06980	3.8
119.08597	7.1
121.02889	1.8
121.10112	4.0
123.04411	13.4
123.11697	3.6
125.13242	2.9
127.03921	100.0
128.04231	1.6
128.06235	3.7
129.06973	3.4
131.08545	5.6
133.10124	3.4
135.08041	3.8
137.13216	2.6
139.03902	31.8
139.86601	1.4
141.05476	7.0
141.07004	2.3
142.07796	3.4
143.08551	7.6
145.10121	6.2
147.11710	3.1
151.03908	13.5
155.08543	3.3
157.04987	10.0
157.10114	8.1
159.11749	7.1
169.04964	25.5
169.10126	3.4
171.11673	3.1
183.11713	3.6
185.13283	4.5
187.06021	16.9
187.11218	1.8
193.10300	1.7
195.11674	2.2
197.13303	2.8
211.11195	1.6
211.14806	2.4
213.12727	3.0
215.14249	2.4
217.15857	1.6
223.14713	2.3
229.12411	2.0
231.13861	3.3
239.23723	11.5
256.10889	1.4
352.99622	1.5
397.24844	2.6
415.26096	4.0
425.24225	2.2
425.29300	3.1
443.25610	9.0
461.26770	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	461.2898
Annotation	Spongianolide A
Peak:m/z	Relative Intensity
53.03939	12.2
54.34898	3.2
55.01863	11.0
55.05514	32.7
56.67411	3.7
57.03445	5.4
65.03941	8.2
66.58037	3.8
67.05509	71.3
69.03421	6.5
69.07072	25.9
69.63709	6.8
69.64100	12.7
71.05001	7.7
79.05497	66.1
81.06587	5.5
81.07063	81.0
83.00156	3.4
83.05027	8.5
83.08629	26.6
85.06567	6.5
89.61097	3.4
91.05489	100.0
93.07043	63.7
94.87878	3.7
95.04979	16.9
95.08618	47.9
97.06552	5.6
97.10171	8.0
99.08096	4.7
103.05460	9.3
105.04510	4.0
105.07047	88.5
107.04958	11.6
107.08595	37.4
109.06532	13.9
109.10158	25.4
111.08060	7.9
115.05480	10.6
116.06168	3.9
117.07027	56.4
119.04933	5.4
119.08599	53.0
121.06522	16.8
121.10166	24.6
123.08064	9.5
123.11710	4.6
125.09648	9.5
128.06221	17.1
129.07022	68.3
131.04948	4.7
131.08583	85.5
133.06516	10.7
133.10152	25.7
135.08052	16.4
135.11688	9.6
137.09613	6.4
141.06979	32.6
142.07802	20.5
143.08562	61.8
144.09346	5.8
145.06558	18.5
145.10136	53.3
147.08058	18.2
147.11646	19.1
149.09619	8.9
149.13280	7.0
153.07033	8.6
154.07780	10.2
155.08582	42.7
156.09291	5.1
157.06525	6.5
157.10141	51.6
159.08067	14.3
159.11713	43.4
161.09576	10.7
161.13268	9.6
163.07513	4.7
165.06999	9.3
167.08591	17.6
168.09378	8.8
168.33316	4.2
169.10133	35.1
170.10773	5.2
171.08055	13.0
171.11725	29.4
173.09641	13.7
173.13303	9.7
175.11215	10.4
179.08604	11.3
181.10190	21.9
183.11691	27.5
185.09647	11.8
185.13281	21.6
187.11189	13.7
187.14900	6.8
189.08998	4.4
189.12822	4.9
193.10126	10.0
195.07872	4.6
195.11713	24.2
197.09581	9.3
197.13342	22.5
199.11237	8.5
199.14864	13.2
201.09180	6.8
201.12808	7.4
204.46156	3.9
207.11732	10.6
209.09615	5.3
209.13278	14.9
211.11243	9.2
211.14845	8.8
213.12775	12.4
213.16377	10.5
215.10951	5.1
215.14317	13.8
217.15889	5.5
219.11652	4.2
219.13829	4.1
221.13293	13.3
223.14815	14.0
225.12724	8.2
225.16356	5.5
227.10773	6.6
229.12309	7.2
229.16019	6.5
231.13678	5.6
235.15007	4.3
237.16599	5.7
239.14445	5.1
241.15979	7.9
243.10243	6.6
243.13799	4.3
245.11674	6.5
253.15941	7.2
257.15573	4.9
267.14050	4.1
271.16949	8.7
305.22696	4.3
315.20917	4.4
323.23727	12.5
333.22217	14.5
341.24704	12.8
351.23163	36.8
369.24335	41.7
387.25275	17.4
406.97794	4.0
415.26816	7.0
443.28018	64.2
461.28049	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01842	0.6
55.05502	2.5
63.87988	0.5
65.03937	1.2
67.05238	0.6
67.05515	7.0
67.55701	0.6
69.07066	2.0
69.46960	1.4
69.47374	3.0
71.08636	0.8
72.87305	0.6
79.05495	9.6
81.07056	17.3
83.08603	1.1
85.57240	0.7
91.05485	15.3
93.07047	11.3
95.04961	1.9
95.08614	6.4
97.06551	1.0
98.20727	1.2
98.21365	1.3
103.05457	1.7
105.07034	26.6
107.08596	5.0
109.06555	0.7
109.10105	1.5
110.56084	0.7
115.05437	2.3
116.06244	1.2
117.06217	1.3
117.07021	14.2
119.08581	21.3
121.06520	1.2
121.10172	1.6
125.06007	1.1
128.06203	5.0
129.07011	10.7
130.07768	2.8
131.08574	23.1
131.09525	1.4
133.06497	1.9
133.10130	4.6
134.10484	0.8
135.08015	1.1
135.11702	0.8
137.06001	1.2
141.06978	5.1
142.07793	8.9
143.07503	0.8
143.08566	13.8
144.09349	6.7
145.06482	1.0
145.10126	12.7
147.07994	1.5
147.11694	1.9
149.05960	1.5
149.13303	0.8
151.07529	5.2
152.06169	0.7
153.05911	0.7
153.07014	1.6
154.07785	2.0
155.08569	11.3
156.09358	3.2
157.06480	1.3
157.10135	22.8
158.10831	0.8
159.11696	100.0
160.12067	1.3
161.06006	1.0
161.09612	1.0
161.13255	1.8
165.07031	3.6
165.09149	1.5
166.07768	2.3
167.07054	2.8
167.08578	5.0
168.09329	2.4
169.06546	0.9
169.10127	10.9
170.10910	2.4
171.08064	1.8
171.11700	10.2
173.09613	1.6
173.13242	5.1
175.07614	1.8
175.11179	1.0
177.12775	0.9
178.07750	1.2
179.08580	2.5
180.09299	3.0
181.10100	5.0
182.10899	1.8
183.08076	0.8
183.11687	7.4
185.09666	1.7
185.13258	14.7
186.13675	0.7
187.07616	1.0
187.11162	1.4
187.14806	2.8
192.09369	1.8
193.10118	3.2
195.11710	9.3
197.09636	1.1
197.13258	9.3
199.11183	2.1
199.14836	4.0
201.12759	2.0
203.08626	0.7
203.14198	1.0
207.11780	3.2
209.09624	1.1
209.13275	2.4
211.11110	3.7
211.14793	1.0
213.12764	10.9
214.60788	0.6
215.10741	0.6
215.14326	1.4
217.12259	2.2
219.11685	1.0
221.13248	1.6
223.11137	1.1
223.14783	1.2
225.12732	4.4
227.14317	1.4
229.12189	3.6
231.13855	2.2
233.13246	0.9
237.12796	1.5
239.14349	1.2
241.12326	0.9
243.13847	8.3
249.12779	1.0
261.12738	0.8
267.13828	1.2
285.14819	1.0
335.20096	0.9
369.26071	1.0
397.25290	2.8
407.23920	1.2
415.26288	20.1
415.31744	1.3
416.26465	0.9
417.27847	2.2
425.24683	4.9
443.25812	11.5
443.31149	0.6
461.26831	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	461.2688
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03933	2.5
55.01873	2.3
55.05502	5.0
60.00973	0.9
67.05508	9.1
69.03427	2.9
69.07058	3.6
71.28701	2.1
79.05494	13.6
81.03419	2.0
81.07057	15.5
83.04975	3.3
83.08585	1.4
85.06514	1.8
91.05477	17.1
93.07048	12.9
95.04973	10.9
95.08619	9.6
97.06515	2.3
103.05482	2.0
103.59173	1.1
105.07035	26.8
107.04942	3.4
107.08608	11.4
108.86888	1.0
109.06527	11.0
109.10176	4.3
111.08102	2.0
115.05453	2.4
117.07022	9.1
119.08595	18.6
121.06511	6.5
121.10153	9.0
123.04387	2.7
123.08085	4.4
123.11639	1.4
125.09660	1.2
126.25337	1.1
128.06241	6.1
128.99597	1.1
129.07014	12.3
130.07834	1.3
131.04974	1.5
131.08565	20.4
133.06543	3.0
133.10143	18.1
135.04453	1.4
135.08017	6.6
135.11748	2.1
141.06979	5.7
142.07773	5.8
143.08568	21.2
144.09370	1.9
145.06482	4.5
145.10136	21.1
146.07266	1.4
147.08090	7.2
147.11702	5.5
149.09648	4.2
151.03867	1.5
151.07539	2.2
153.07039	2.7
154.07779	3.7
155.08563	15.6
156.09367	4.8
157.06548	1.8
157.10118	16.9
158.10884	1.3
159.08072	8.3
159.11694	18.2
161.06000	1.6
161.09630	14.9
161.13281	3.8
163.11174	2.3
165.07019	1.8
165.09140	2.6
166.07813	2.6
167.07253	1.1
167.08592	6.1
168.09302	4.8
169.10141	15.1
170.10860	1.6
171.08104	3.1
171.11723	17.2
172.12451	1.4
173.09663	6.5
173.13277	6.6
175.07535	2.6
175.11217	3.1
175.14876	1.6
179.08600	2.6
181.10109	9.0
182.10941	3.8
183.11716	13.0
184.08853	1.3
184.99414	1.0
185.09621	4.4
185.13278	5.3
187.07675	1.2
187.11157	9.2
187.14832	4.7
193.10196	2.1
194.11040	1.8
195.08032	1.5
195.11635	5.9
196.12469	2.9
197.09659	2.1
197.13234	9.7
199.11198	6.3
199.14821	9.9
201.12802	9.4
201.16396	7.9
203.14281	1.8
209.09724	1.9
209.13341	2.5
211.11299	3.0
211.14824	17.2
213.09322	1.2
213.12738	6.0
213.16272	1.6
215.14386	5.1
217.12228	1.8
217.15868	4.5
219.11644	1.3
221.13101	2.2
223.11229	1.7
223.14836	2.6
225.12775	2.0
227.10669	4.4
227.14383	4.8
229.12350	2.1
229.15880	17.7
241.12361	2.4
241.15909	2.1
245.11673	9.6
249.12735	1.3
259.13229	8.4
282.08795	1.3
319.26031	1.1
351.23337	1.1
369.24200	2.3
403.22736	3.8
425.24606	2.6
431.25723	1.8
433.27707	1.4
443.25894	12.7
458.52899	1.3
461.26944	100.0
462.27155	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80116	0.5
53.03942	1.0
55.01871	0.8
57.03430	0.8
60.33297	0.4
66.93971	0.4
67.05495	0.7
69.03435	0.6
71.07178	0.5
71.07524	1.2
78.73618	0.5
79.05496	2.0
81.03415	1.0
81.07076	0.5
85.02906	1.6
87.18871	0.5
91.05473	1.0
95.04967	1.3
95.08629	0.7
99.04506	0.6
105.06991	0.8
107.04961	100.0
108.05299	1.0
109.02876	0.7
119.08558	1.0
127.03936	0.8
135.08017	0.5
137.02339	0.5
139.03896	0.6
151.07523	0.7
165.01839	2.1
177.05461	0.6
183.02969	0.6
189.05403	2.5
193.04999	1.1
202.07925	0.4
203.07085	2.0
204.04228	0.8
205.04970	18.5
206.05782	1.3
217.05014	3.2
217.08632	0.6
219.02840	0.5
219.06494	0.7
227.07051	0.8
228.04498	0.5
229.05032	0.7
230.05710	0.6
231.06522	5.1
234.05304	1.0
235.06023	12.7
244.07304	0.8
245.08055	2.2
254.05472	0.5
255.06485	0.8
259.06003	2.2
271.06128	1.7
282.05347	1.3
283.06058	1.0
299.09171	2.5
301.07153	1.6
311.09146	40.2
312.09509	0.7
323.09171	1.9
337.10800	2.5
341.10208	36.3
342.10281	0.7
351.12479	3.0
361.10757	0.6
365.10217	25.4
377.10168	5.0
379.11786	1.3
389.10217	6.1
395.11292	10.9
405.69186	0.5
407.11310	11.1
425.12347	9.7
443.13391	6.0
461.14716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01870	3.3
55.05499	1.2
57.03441	5.3
58.08270	0.9
59.05006	10.1
61.02932	5.2
67.05517	1.2
69.03439	12.5
70.06607	1.0
71.01370	1.0
71.04980	1.9
71.55656	1.0
73.02909	5.0
73.06562	24.0
81.03427	3.6
83.05001	0.9
85.02914	29.4
86.09711	1.1
87.04479	3.5
91.03960	1.0
91.05486	1.1
92.05019	2.2
94.06573	7.6
95.01389	0.8
95.04976	1.1
97.02890	12.8
99.04462	2.2
103.03941	2.7
104.42207	0.9
106.06526	1.3
107.08585	1.7
109.02898	2.4
111.04474	1.8
115.03919	4.2
117.05732	1.9
117.09126	2.7
118.06572	11.3
120.04475	23.7
120.05322	1.5
123.04439	4.1
127.03909	5.0
130.04985	0.9
130.06541	5.7
131.10677	2.9
132.04613	0.8
132.08110	12.8
133.05028	1.3
136.07603	17.6
139.03905	7.7
144.08122	1.3
145.04958	1.9
146.06020	34.9
148.07608	3.2
149.11737	17.8
151.03929	2.2
152.10754	6.2
156.08148	0.9
158.06047	2.8
159.06812	1.1
160.07600	27.0
172.07600	7.1
176.07153	1.2
178.08707	2.2
183.06953	0.9
184.07645	4.2
186.09189	0.8
188.06976	0.9
190.08691	1.5
196.07491	1.1
198.09193	2.8
202.08656	4.2
214.08730	4.5
216.10284	0.8
220.09839	1.2
226.08623	2.7
232.09653	1.0
238.10751	2.4
244.09723	3.2
256.11786	1.2
262.10815	3.1
280.11844	9.3
298.07227	6.3
298.12894	100.0
299.13303	1.7
314.15829	1.4
322.07520	0.9
420.71814	0.9
460.12097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
57.03442	8.9
59.04988	0.6
61.02941	3.5
69.03432	6.3
70.06573	0.6
71.01365	0.5
71.57725	0.8
73.02924	20.0
81.03423	1.4
85.02914	10.3
87.04469	1.1
88.99792	0.5
91.03983	0.7
91.05492	0.6
97.02889	7.2
99.04486	0.6
104.05003	0.8
109.02880	1.5
112.67013	0.5
115.03928	6.2
127.03936	2.6
133.04974	1.4
145.04968	1.9
148.02167	70.9
149.02498	0.4
149.05980	0.5
166.03236	100.0
167.03477	1.5
179.91606	0.6
205.06491	0.6
206.36626	0.5
223.07495	1.0
251.07016	1.6
281.08060	2.5
298.07205	1.6
298.14279	0.7
328.08499	12.4
347.59979	0.5
443.13507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.05511	13.1
57.07079	4.3
60.44687	2.4
66.29731	2.6
67.05519	13.8
69.03423	3.5
69.07057	10.7
70.64947	2.6
71.31612	3.6
71.31947	3.1
72.07092	2.4
72.61581	2.7
79.05491	22.4
81.03449	4.0
81.06642	3.8
81.07068	41.2
83.04974	3.6
83.08602	4.3
88.08569	2.3
89.06069	3.0
91.05484	44.5
91.06018	4.9
91.79252	2.7
93.07039	27.7
95.04966	8.7
95.08600	19.0
99.40194	2.5
103.05489	6.2
105.07037	61.5
106.65128	2.8
107.04951	4.8
107.08600	20.0
109.02858	3.3
109.06555	5.8
109.10151	7.5
115.05480	10.4
116.69411	2.6
117.07028	26.2
119.08591	51.9
121.06491	11.9
121.10151	9.0
123.04362	2.7
123.08096	4.2
123.11699	2.7
128.06227	25.6
129.06998	43.2
130.07791	2.8
131.08574	50.2
133.06531	6.7
133.10129	13.8
135.04323	3.1
135.08063	7.5
135.11717	6.4
137.05962	3.3
141.06998	10.4
142.07806	22.2
143.08560	74.2
144.09309	8.8
145.06506	7.7
145.10126	39.3
147.08049	13.4
147.11739	4.9
151.07544	23.8
153.07010	9.6
154.07784	4.3
155.08565	40.7
156.09319	8.1
157.06500	29.7
157.10144	74.2
159.08035	6.4
159.11697	53.3
161.05925	4.9
161.09654	5.2
161.13271	11.6
163.07555	15.8
163.46010	2.7
165.07011	26.7
166.07825	3.5
167.08597	14.3
168.09383	13.3
169.10164	18.4
170.10902	9.4
171.08014	20.7
171.11623	14.0
173.05997	3.9
173.09621	7.3
173.13287	6.3
175.07625	20.7
175.11218	9.2
177.09100	4.0
179.08527	6.5
180.09387	23.7
181.06610	3.1
181.10109	11.6
182.10928	3.1
183.11717	37.6
183.54044	3.3
185.09686	5.6
185.13261	100.0
187.11217	4.8
187.14853	10.8
189.09128	6.6
191.10730	6.7
193.10155	7.1
195.09909	4.6
195.11714	94.5
197.13365	8.9
199.11209	5.1
201.09119	3.2
201.12784	5.5
203.14314	4.0
207.11821	4.7
209.09738	3.3
209.13260	6.5
211.11107	14.8
211.14706	2.9
213.09308	3.5
213.12749	38.8
215.10696	6.2
227.10635	3.9
229.12288	44.7
230.13014	3.1
231.11664	5.0
231.13794	36.7
243.13783	3.2
279.13623	2.7
315.18018	4.3
316.18436	4.0
395.23575	4.5
413.24768	9.1
415.26328	3.7
441.24164	14.8
459.25290	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	459.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75079	6.8
55.01881	9.7
59.82208	5.9
60.20208	6.1
64.12852	6.2
69.03429	15.0
70.06591	13.6
71.54882	7.3
72.08154	11.6
81.03391	8.8
83.68651	6.6
84.04499	8.9
84.62929	5.4
85.02913	42.6
94.89975	6.6
97.02890	20.8
98.97604	7.2
103.00618	6.4
112.03951	9.1
116.07133	6.9
119.01920	18.0
121.01682	15.2
127.02144	6.9
127.03939	17.7
130.05003	26.9
136.95607	8.6
139.04005	7.9
143.01932	14.5
145.04987	7.8
145.06090	11.0
155.01759	14.5
159.03258	8.2
161.02937	14.9
165.27632	6.9
167.01657	12.0
169.03194	7.5
178.04990	8.0
182.24005	7.1
184.04332	7.8
190.19769	6.2
193.03210	29.0
235.06371	7.4
244.07137	9.0
285.08533	20.2
296.05869	11.8
304.13257	7.9
313.08398	12.2
321.10309	12.1
330.11237	59.5
394.31271	7.0
441.14432	8.5
459.12628	100.0
459.19769	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	459.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01859	1.2
56.96555	1.0
57.03441	3.8
61.02920	2.0
67.05516	0.5
69.03439	7.1
70.06592	0.4
70.68349	0.9
70.68684	0.5
71.01349	0.6
71.04988	1.2
71.47518	0.4
73.01658	0.4
73.02917	2.4
75.04485	0.6
81.03414	1.7
83.06100	0.9
84.04525	2.5
84.08149	0.7
85.02496	0.6
85.02911	6.1
87.04465	1.4
91.03971	0.4
96.08172	0.6
97.02884	3.4
98.97600	4.0
99.04468	1.0
99.05551	0.6
109.02883	1.1
112.03940	1.1
114.09206	1.0
116.98635	1.7
119.01917	1.8
127.03914	1.7
128.98647	0.7
129.06659	1.0
130.05003	4.0
131.01964	0.9
133.07616	7.2
134.99681	0.6
135.09215	0.8
137.05972	2.4
139.03923	3.8
140.04262	0.9
142.01015	0.5
143.01898	0.9
144.06837	0.6
145.03416	0.6
145.07614	39.3
146.08348	1.2
147.02596	1.0
147.04381	0.7
147.09181	4.5
149.06096	0.4
150.05426	0.5
151.06381	0.7
153.06630	0.8
155.01639	2.4
155.08058	0.6
158.99681	1.5
159.09138	2.2
161.02986	2.1
162.07854	0.6
163.03955	2.1
163.08676	43.8
164.04276	1.2
166.07315	0.5
166.08597	0.9
167.01668	1.7
173.03004	0.5
175.02136	0.7
175.08679	0.5
177.00726	1.4
181.06152	0.7
184.02272	0.7
184.04283	0.7
185.10884	0.4
187.08763	0.6
189.10362	0.7
193.03181	4.0
195.05025	0.9
196.02194	0.5
205.09831	0.6
210.05931	0.7
217.09764	0.5
219.01776	1.1
219.05055	1.6
219.11302	0.6
221.05295	0.5
235.10789	0.6
237.02844	1.7
237.06154	0.8
244.04378	2.8
245.05016	0.4
251.13892	0.7
253.85339	0.4
261.12460	0.6
263.14008	0.8
267.13446	1.2
279.07138	0.9
279.13409	16.5
280.13971	0.4
281.15042	2.7
291.07407	0.5
293.10861	0.6
296.05984	0.8
297.14474	26.5
298.08154	0.6
309.08527	2.5
313.08557	1.9
321.08197	0.8
321.14609	0.9
330.11298	6.5
336.07156	0.5
348.06989	2.0
351.15649	1.7
381.10281	2.3
381.16907	0.6
399.10721	1.3
441.14023	1.7
441.19662	2.2
459.19778	100.0
460.20157	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05498	7.1
57.37505	2.0
65.03916	3.9
67.05515	13.7
69.03408	4.1
69.07050	4.0
70.03374	8.4
79.05495	15.9
81.03416	3.9
81.07062	19.6
83.04979	3.8
85.41036	2.2
91.05475	36.2
93.07038	16.2
95.04974	5.6
95.08596	12.6
103.05457	2.6
105.07034	42.7
107.04983	2.8
107.08595	12.8
109.10142	4.7
112.38041	2.0
115.05446	8.3
116.06225	2.3
117.07007	15.7
119.04931	2.5
119.07799	2.7
119.08583	31.9
121.06470	5.5
121.10143	5.4
127.71766	1.8
128.06204	14.2
129.06990	24.3
130.07753	3.0
131.04970	1.9
131.08566	30.4
132.09341	2.1
133.06447	4.6
133.10146	11.7
134.61038	1.9
135.08041	6.5
135.15407	1.9
137.05995	4.5
141.06969	19.0
142.07828	19.5
143.08571	38.8
144.09373	2.7
145.06488	7.2
145.10138	20.1
147.08018	9.6
147.11685	4.9
149.06000	4.3
149.09622	2.4
151.07565	8.3
152.06230	2.3
153.06989	17.7
154.07744	10.7
155.05963	2.4
155.08562	53.8
155.59564	2.0
156.09413	9.6
157.06535	2.6
157.10126	46.8
159.08060	8.4
159.11688	11.9
161.09578	5.3
161.13181	2.8
161.27298	1.8
161.61163	2.0
163.07486	2.4
163.11253	2.1
165.07030	9.5
165.09128	3.3
166.07777	8.6
167.07213	3.9
167.08553	18.9
168.09366	33.6
169.06415	5.0
169.10136	38.4
170.10820	3.8
171.08037	6.1
171.11700	21.3
173.09581	8.2
173.13269	6.7
175.07547	5.7
175.11160	2.7
178.07785	8.9
179.08548	10.8
180.09326	7.1
181.06503	6.4
181.10101	27.2
182.10892	7.1
183.08237	3.6
183.11700	79.6
184.08870	2.7
184.12393	5.1
185.09628	5.5
185.13266	18.2
187.11227	5.5
189.12709	3.6
191.08470	2.7
191.10794	2.0
192.09283	4.5
193.10150	20.1
194.10756	2.9
195.08002	4.6
195.11708	15.5
196.08765	6.8
197.09639	11.9
197.13284	17.3
198.10353	2.4
198.67570	2.4
199.11183	17.2
199.14781	3.4
201.12614	9.3
203.08514	4.7
205.10068	6.4
206.10873	2.8
207.11676	12.5
209.09615	4.7
209.13260	6.7
210.10175	2.1
211.09277	3.8
211.11185	58.9
212.11931	4.4
213.12709	5.7
215.08701	2.4
215.10692	4.6
215.14328	3.4
217.10249	2.8
217.12033	3.6
218.10892	3.7
219.11713	8.1
220.12355	2.2
221.13280	8.3
223.11113	7.1
223.14838	2.2
225.12738	30.2
227.10602	9.2
227.14423	1.9
229.10124	4.3
229.12251	44.9
230.10881	3.4
230.13048	6.2
231.11629	4.5
231.13728	3.6
232.12560	3.3
233.13234	6.2
235.14833	5.0
237.12708	6.0
241.12231	3.2
243.11748	2.9
243.13931	6.6
245.13263	5.0
247.11032	3.1
247.14844	4.9
249.12785	4.0
251.14362	3.0
255.11501	3.1
255.13931	3.4
257.13074	3.9
261.12769	4.4
263.14301	3.4
265.15897	3.2
267.13846	3.9
273.16455	2.6
281.15469	3.5
283.14801	3.5
297.12289	2.2
307.16946	5.0
371.19980	2.2
377.22525	4.1
395.23691	13.4
405.22299	5.8
413.20148	2.7
413.24786	25.3
423.23242	19.3
431.26135	4.4
441.24271	35.6
459.25256	100.0
460.25479	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	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12520	3.7
53.03957	10.3
55.01878	19.7
55.05508	6.5
57.03422	6.9
64.49369	4.0
67.05508	50.0
69.03440	38.6
69.07067	10.5
69.44296	28.0
71.04995	11.7
73.02934	8.8
79.05499	34.0
81.03414	32.0
81.07059	52.1
83.04984	5.7
85.02895	11.2
90.03670	3.8
91.05505	23.7
93.07059	40.9
95.08614	40.6
97.02906	36.2
97.06564	4.8
97.10796	4.0
99.04469	71.8
105.07034	18.4
107.04908	4.3
107.08631	23.2
109.02892	35.7
109.06543	5.7
109.10159	21.7
111.04402	6.5
117.07021	9.4
119.08574	29.7
121.10185	21.5
123.11739	8.0
127.03930	100.0
131.08566	14.5
133.10110	10.9
135.11728	12.5
143.08585	4.8
145.05006	13.7
145.10152	8.2
147.11697	6.9
149.13239	5.1
155.08473	4.2
157.10103	5.9
159.11765	8.5
161.13191	9.2
163.14825	5.4
167.08495	4.6
173.13261	8.4
182.10570	4.3
183.11668	7.1
189.93459	4.2
199.57497	3.9
204.28148	4.1
227.10645	5.3
228.11200	5.2
261.22076	26.0
277.21542	8.5
279.23166	7.3
423.27463	17.8
458.23959	11.2
459.25333	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	18.9
55.01862	8.6
55.05510	23.5
57.03435	9.1
65.03960	5.2
67.05509	87.7
69.03439	45.5
69.07065	22.4
71.04996	9.8
71.56211	5.8
73.02915	5.7
79.05500	69.6
81.03425	86.5
81.07062	100.0
83.04977	7.7
83.08611	12.6
85.02890	28.6
85.06543	5.1
91.05498	68.8
93.07050	92.5
95.04969	17.4
95.08614	74.6
97.02911	42.8
97.06545	6.6
97.10218	5.4
98.32693	4.5
99.04435	7.1
105.07050	71.4
107.04987	5.5
107.08607	51.0
108.04503	5.6
109.02886	26.7
109.06538	14.1
109.10182	38.8
111.04470	8.1
117.07028	27.2
119.08584	49.4
121.10139	40.6
123.04427	7.0
123.11713	12.9
127.03916	18.1
129.07036	19.3
131.08575	51.7
133.10150	29.0
135.08041	9.3
135.11708	31.4
141.07001	7.8
142.07814	13.1
143.08583	20.7
145.04950	5.6
145.10114	27.9
146.10509	4.6
147.08009	6.1
147.11684	20.4
149.05910	4.8
149.09561	7.3
149.13269	8.6
151.07492	6.2
151.11179	5.4
155.08542	15.9
157.10115	42.1
159.11725	29.0
161.09627	8.4
161.13303	13.6
163.11189	5.8
165.08997	5.0
167.08524	5.7
168.09297	7.6
169.10129	17.1
171.08081	5.6
171.11728	13.7
173.09686	7.4
173.13290	15.2
175.11243	8.0
181.10104	14.0
183.11728	11.0
185.09599	7.8
185.13263	10.9
187.11191	7.9
187.14818	10.3
189.12764	5.7
195.11739	8.8
197.13293	9.4
199.11134	10.5
199.14705	7.4
201.12872	4.7
211.11134	9.5
211.14912	7.3
213.12852	5.6
229.12299	7.7
233.67711	4.5
243.13939	6.7
261.22202	15.9
275.23502	5.1
285.22150	6.2
289.21646	7.5
289.76041	4.3
291.23169	6.5
297.22101	4.6
303.23163	15.2
343.01172	5.0
351.23224	8.9
369.24185	24.1
387.25296	12.8
400.61111	4.6
405.26331	21.8
413.24866	5.4
458.24149	17.6
459.25189	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	458.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
58.92556	0.7
68.05010	0.7
69.03430	1.4
69.07072	0.7
70.06590	2.4
71.01359	0.6
71.04993	0.7
71.55373	1.0
73.50024	0.6
79.05513	0.6
81.03425	0.7
82.06587	1.0
84.08132	1.2
85.02923	3.8
85.06533	0.6
88.03983	0.8
91.05509	0.9
93.07029	1.1
94.06574	2.0
96.08132	4.4
97.02891	1.7
98.97552	1.3
103.05470	7.4
107.04974	1.8
109.02876	0.8
112.07574	2.6
113.05989	1.0
114.09180	12.7
116.98619	1.0
120.08115	100.0
121.08465	1.2
127.03928	1.0
130.04967	0.9
130.84372	0.6
131.04951	2.6
131.07051	1.7
137.05981	0.9
139.03905	1.9
140.07040	0.6
142.08626	1.6
145.07637	0.7
149.06010	2.4
149.80151	0.7
151.06252	0.6
158.08134	1.3
158.99738	0.6
160.09714	1.9
163.03952	1.0
163.08640	1.0
164.07083	2.9
166.08658	46.9
178.08691	0.9
183.03044	0.8
236.09254	0.7
237.02716	1.2
268.11807	0.9
286.12900	0.8
296.11343	4.1
296.14697	1.0
297.14450	0.8
304.13968	1.5
330.11365	1.2
350.90964	0.6
458.16284	12.7
459.19925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.05510	2.5
56.60297	1.9
65.03928	2.5
67.05496	4.5
69.07058	2.7
70.89888	4.8
79.05491	8.0
81.07052	7.8
83.04972	2.3
91.05480	17.3
93.07051	14.2
95.04980	8.0
95.08598	4.1
102.81400	2.0
105.07047	9.6
107.04975	5.1
107.08591	4.4
109.10139	3.1
115.05453	4.3
117.07038	9.5
119.04942	8.4
119.08574	7.1
121.06547	7.1
121.10192	2.3
128.06213	5.1
129.07028	7.3
131.08551	10.4
133.10123	3.0
137.06004	2.3
141.07014	6.1
142.07765	5.0
143.08548	9.3
145.06477	9.4
145.10120	6.2
147.04399	9.2
147.08066	4.6
147.11703	4.2
148.04799	5.0
153.06985	5.3
154.07762	3.0
155.08566	8.2
157.10075	6.6
159.08076	7.8
161.05992	3.4
163.07558	3.4
165.06981	3.0
167.08537	9.0
169.06638	2.3
169.10153	7.0
171.08073	5.9
173.05824	2.3
173.09627	4.3
177.09109	3.9
178.07823	2.6
179.08568	6.9
181.10205	4.9
183.08073	4.7
185.09618	3.2
187.07567	5.8
188.08345	23.7
189.09203	3.0
193.10182	6.0
195.08099	4.4
195.11685	2.6
196.08846	2.4
197.09679	9.4
198.06673	2.4
199.07562	3.3
201.09074	3.4
203.08702	3.4
205.10181	3.6
207.07990	4.6
207.11697	4.0
209.09653	7.4
211.07613	3.5
211.11205	6.2
213.09164	11.1
215.08746	3.4
217.10216	3.4
219.11766	4.5
220.08856	2.1
221.09599	8.5
222.10397	2.4
223.11258	6.4
225.09117	3.8
225.12546	2.2
227.10657	3.6
229.10289	2.6
231.11874	4.3
232.08862	2.0
233.09686	5.2
234.10417	2.5
235.11259	5.0
239.10674	4.7
241.12303	3.8
243.09970	3.6
245.09538	3.2
245.13301	3.1
246.10387	2.4
247.11240	4.1
247.14734	2.1
249.12640	2.4
255.11775	5.0
257.13370	2.4
258.10403	3.0
259.11179	5.6
261.09042	3.0
261.12933	3.4
261.16266	2.5
263.10730	4.8
263.14169	2.3
267.09897	2.7
271.14755	5.5
273.12772	8.6
281.11725	4.2
281.49399	2.2
283.11258	4.8
284.11923	2.4
286.11990	14.7
289.12537	2.5
289.15881	6.3
291.13776	4.4
299.14355	10.1
301.12149	5.0
313.16043	4.1
317.15439	8.5
319.13351	3.4
327.13742	2.2
329.11835	3.9
331.17151	3.1
335.16339	3.8
337.14343	6.1
341.15305	3.6
345.14874	9.7
359.16641	12.7
363.15826	6.7
365.14124	2.3
369.14951	3.1
377.17551	10.5
381.17105	3.3
387.15927	7.6
405.17001	34.9
423.18063	100.0
441.18878	3.0
458.24927	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	458.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03001	0.7
64.67363	0.9
65.03941	1.1
67.05511	1.3
68.05031	3.7
69.03439	1.8
69.84441	2.4
69.84834	1.7
70.06600	6.4
70.77406	0.8
79.05526	2.1
81.03447	0.8
81.05792	2.0
82.06597	1.5
83.04959	1.1
84.08136	1.4
85.02908	5.7
88.04029	0.9
91.05489	13.6
94.06575	6.5
96.08141	35.5
97.02877	0.9
98.20834	1.4
109.02882	1.2
109.06536	1.0
110.06061	0.8
111.04431	2.3
112.07626	8.8
114.09179	100.0
119.04950	7.0
123.04449	1.3
127.03973	1.0
130.08675	1.2
137.05992	25.8
138.06401	0.8
139.03922	4.6
142.08650	21.7
147.04634	0.9
150.07880	1.1
151.03979	1.2
151.07539	1.5
158.08173	3.7
160.09712	40.9
163.03940	3.4
164.04315	2.2
179.03484	1.0
186.06181	1.0
259.06113	1.3
260.06332	2.1
268.11887	3.9
282.57416	0.9
286.12784	6.6
297.14587	1.0
304.13986	14.2
412.11371	1.5
430.79675	0.8
440.19614	3.9
441.25537	1.1
458.20319	72.0
459.20605	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	457.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
57.03444	3.0
67.05502	2.7
69.03430	4.5
69.55257	12.8
70.06590	2.4
71.04999	4.1
79.05486	3.6
81.07053	6.9
83.04963	3.0
85.02926	4.9
91.05473	6.1
93.07060	4.8
95.08616	6.9
97.02863	2.3
105.07016	6.5
107.08607	8.8
109.10168	2.9
111.08164	2.5
117.06975	2.3
118.38223	1.8
119.05010	2.2
119.08598	30.2
121.06527	2.5
121.10142	4.0
123.04433	2.6
127.11181	4.6
128.11534	2.3
131.08612	4.4
133.10133	17.1
135.07991	2.0
137.05951	11.7
139.03918	11.6
141.01060	2.3
143.08572	6.6
145.10115	3.1
147.08061	2.3
149.09647	5.8
151.03888	5.2
151.07567	7.6
157.10143	52.9
159.11740	7.0
161.05931	3.1
161.09634	12.3
163.03979	2.8
164.07086	2.5
165.09167	2.9
171.11685	8.9
172.36037	2.4
175.07594	3.2
175.38322	2.4
179.10741	4.4
189.12718	5.3
191.07101	2.6
197.13231	2.8
199.12973	4.3
199.14828	90.7
203.10768	2.8
213.16389	76.2
217.12288	3.5
217.15921	16.3
223.14810	4.1
225.52209	2.0
231.17438	5.5
241.15916	12.2
259.16959	100.0
260.17361	3.3
268.61212	2.3
277.12662	2.6
277.18024	29.2
288.48856	2.0
289.07251	4.3
295.09558	2.1
295.19055	59.7
358.30719	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1659
Annotation	Calanthoside
Peak:m/z	Relative Intensity
55.05529	0.7
55.19614	0.5
65.03920	0.6
66.45107	0.5
67.05495	0.9
68.05045	3.2
69.03429	2.9
69.69341	2.2
70.06598	4.5
72.22721	0.5
79.05485	1.6
80.05018	0.7
81.03412	2.3
81.05804	2.7
82.06598	2.8
83.04990	1.2
84.08143	1.2
85.02914	9.4
86.06055	1.0
87.00862	0.7
88.04030	0.7
90.58501	0.5
91.38940	0.5
94.06572	18.1
96.08137	37.1
97.02927	1.5
98.20761	1.0
100.07623	1.4
109.02895	0.8
110.06066	1.1
111.04482	1.4
112.07620	20.4
114.09176	100.0
115.09539	0.6
121.02824	0.9
123.04414	0.8
127.03888	0.6
128.07045	0.6
130.08669	2.7
137.02356	4.7
140.07095	1.9
142.08646	15.3
158.08136	8.1
160.09709	21.0
161.02330	0.7
175.76204	0.5
179.03450	1.1
200.53261	0.5
240.12343	0.6
268.11786	3.5
286.12863	6.2
293.79236	0.5
296.11383	1.8
304.13913	9.9
409.88223	0.5
422.14688	1.2
440.15582	7.8
458.16583	91.1
459.16895	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49321	7.2
53.03954	5.9
55.05511	7.3
65.03970	8.2
67.05502	22.6
69.03455	7.8
79.05495	28.4
81.07056	25.0
91.05489	40.3
93.07050	26.2
95.04990	15.5
95.08620	24.7
96.23483	7.1
103.05474	5.9
105.07037	52.7
107.04894	6.3
107.08614	20.4
109.10174	11.9
115.05458	11.9
117.07000	20.8
119.08582	21.3
121.06548	9.3
128.06232	16.1
129.07016	20.8
131.08609	30.0
133.06577	7.7
133.10118	12.1
135.08032	11.2
137.05957	6.9
141.07002	23.9
142.07794	18.0
143.08575	24.2
145.10146	20.4
147.04410	7.3
149.05922	8.1
151.07565	12.9
152.06183	7.3
153.07019	27.9
154.07829	11.5
155.08565	41.9
157.06517	9.3
157.10172	27.2
159.11723	13.3
163.07555	10.2
165.06950	30.2
165.09145	24.4
166.07828	15.8
167.08633	30.6
168.09360	18.3
169.10120	45.9
171.11749	12.8
173.09645	8.9
178.07819	14.8
179.08621	26.2
180.09334	20.8
181.10156	52.1
183.08063	6.5
183.11748	43.7
185.13182	7.9
191.08566	11.5
192.09401	13.3
193.10150	26.6
195.08136	12.4
195.11725	44.7
197.09622	7.0
197.13303	21.6
199.11250	8.0
203.08574	15.0
205.10159	22.0
207.11774	22.5
209.09642	16.6
209.13104	8.4
211.11252	29.3
215.08534	8.8
216.09439	8.1
217.10176	17.0
219.11783	15.9
221.13388	8.6
223.11189	23.9
225.12691	29.9
227.10745	28.2
228.09525	8.5
229.10184	13.2
229.12280	22.7
230.10844	10.8
231.11732	16.1
233.13268	17.6
241.12282	16.0
244.12427	10.8
245.13232	8.5
247.14851	7.8
253.07404	6.3
253.12457	8.3
255.11604	8.4
255.13928	8.5
257.13174	13.7
259.14722	7.3
261.12772	13.5
261.16449	7.6
267.11697	10.7
268.12381	7.8
269.13135	8.8
270.14343	6.4
275.14267	7.0
279.13876	17.4
283.14838	9.1
294.13995	6.4
295.14560	8.7
305.15582	7.7
309.16287	11.7
326.16394	6.7
351.17429	7.6
365.22751	9.3
367.20508	9.7
375.21063	18.5
393.21927	33.5
403.20593	18.1
411.23242	75.5
421.21725	100.0
439.22769	66.7
457.23691	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
65.03939	0.9
69.93022	1.4
79.05495	0.6
81.07059	1.0
83.04990	3.0
86.80003	0.3
91.05488	13.2
93.07056	0.6
95.04951	1.4
95.08625	0.7
98.21432	0.4
105.07030	0.6
107.04942	0.7
107.08591	0.8
111.04445	7.5
119.04949	25.9
119.08573	0.5
121.06496	0.4
121.10156	0.3
123.04437	1.0
126.32465	0.3
129.07039	0.4
131.04878	0.3
131.08521	0.7
133.10112	0.5
141.07033	0.4
142.07755	0.4
143.08588	0.4
145.10194	0.4
147.04417	100.0
148.04758	1.1
155.08528	0.5
157.10110	0.6
159.11732	0.4
161.13358	0.4
163.07532	0.4
165.09177	0.8
169.10092	0.4
173.05898	0.3
175.07491	0.4
175.11244	0.4
183.11690	0.3
187.07538	0.3
193.08641	0.3
209.86719	0.3
213.09233	0.5
257.08099	2.7
264.52338	0.3
335.11542	0.5
457.24393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11352	1.6
51.81186	1.3
53.03948	3.2
55.01865	5.0
55.05509	2.0
56.54852	1.3
57.03186	2.0
57.03439	22.0
59.05005	1.8
60.52811	1.5
61.02937	11.8
65.97246	1.3
67.05502	3.6
69.03084	1.8
69.03435	35.0
69.07061	3.7
70.06594	1.7
71.01348	3.5
71.05000	4.7
71.08633	1.8
71.55285	2.5
73.02922	56.4
78.26593	1.4
79.05521	1.7
81.03428	6.7
81.07063	7.1
81.47423	1.5
83.04981	2.8
85.02914	100.0
87.04469	3.7
91.03947	4.6
91.05499	7.1
93.07043	5.3
95.08592	2.3
97.02283	2.9
97.02905	52.7
99.04445	6.2
105.07021	4.5
107.04948	2.5
107.08576	2.6
109.02911	12.2
109.10146	4.0
115.03938	27.9
119.04929	3.6
119.08577	2.0
123.04448	1.9
127.03928	33.3
131.08522	2.1
133.04970	22.9
133.10161	3.2
135.53059	1.4
139.03885	5.9
145.04970	54.8
145.10175	1.8
147.04445	8.0
148.04706	3.6
149.02374	2.5
150.07588	2.0
163.06029	21.0
175.03955	2.3
189.09120	1.9
207.06529	5.5
220.98494	1.8
223.06053	4.4
241.07149	4.3
259.08246	6.5
448.24976	1.6
456.12610	2.2
456.24631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
53.21692	1.3
55.01866	3.6
57.03151	1.4
57.03438	26.4
59.04996	1.6
59.24881	1.2
61.02934	13.7
67.05502	2.6
69.03084	2.2
69.03436	34.5
71.01347	3.2
71.02241	3.2
73.02918	50.4
80.92397	1.1
81.03431	7.4
81.07039	2.9
85.02907	100.0
87.04457	2.1
91.03931	3.6
91.05481	3.1
93.07029	1.9
94.78625	1.4
96.04485	1.3
97.02898	48.6
99.04429	3.7
107.08561	1.9
109.02876	9.1
109.10163	2.2
115.03940	33.8
127.03921	28.2
133.04994	10.3
135.99379	1.3
139.03906	3.0
139.93993	1.3
145.04962	53.0
150.07654	3.7
163.06036	19.3
165.09123	1.4
175.11206	1.6
183.49030	1.3
202.71780	1.2
223.06064	2.8
241.07140	5.0
259.08154	4.6
394.71890	1.5
456.23734	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11352	1.6
51.81186	1.3
53.03948	3.2
55.01865	5.0
55.05509	2.0
56.54852	1.3
57.03186	2.0
57.03439	22.0
59.05005	1.8
60.52811	1.5
61.02937	11.8
65.97246	1.3
67.05502	3.6
69.03084	1.8
69.03435	35.0
69.07061	3.7
70.06594	1.7
71.01348	3.5
71.05000	4.7
71.08633	1.8
71.55285	2.5
73.02922	56.4
78.26593	1.4
79.05521	1.7
81.03428	6.7
81.07063	7.1
81.47423	1.5
83.04981	2.8
85.02914	100.0
87.04469	3.7
91.03947	4.6
91.05499	7.1
93.07043	5.3
95.08592	2.3
97.02283	2.9
97.02905	52.7
99.04445	6.2
105.07021	4.5
107.04948	2.5
107.08576	2.6
109.02911	12.2
109.10146	4.0
115.03938	27.9
119.04929	3.6
119.08577	2.0
123.04448	1.9
127.03928	33.3
131.08522	2.1
133.04970	22.9
133.10161	3.2
135.53059	1.4
139.03885	5.9
145.04970	54.8
145.10175	1.8
147.04445	8.0
148.04706	3.6
149.02374	2.5
150.07588	2.0
163.06029	21.0
175.03955	2.3
189.09120	1.9
207.06529	5.5
220.98494	1.8
223.06053	4.4
241.07149	4.3
259.08246	6.5
448.24976	1.6
456.12610	2.2
456.24631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05504	0.5
65.03937	1.4
67.05496	0.4
68.99788	2.1
69.03421	1.2
70.59436	0.4
70.92312	0.9
70.92657	0.4
83.04977	1.3
93.03397	0.9
95.04946	0.6
97.02879	0.9
107.04965	0.9
111.04446	6.5
121.02892	0.8
123.04425	5.3
135.04410	1.0
139.03912	100.0
140.04308	0.5
148.99567	0.4
151.03899	4.0
153.05394	2.3
163.03920	14.8
181.05006	1.2
184.07550	1.5
186.05464	0.5
187.06345	0.5
188.07161	0.9
196.07440	0.5
198.05653	1.0
200.07082	1.2
201.07748	0.6
202.04959	1.1
202.08676	0.6
212.07088	6.2
213.07674	0.5
215.05832	1.1
216.06555	2.5
217.07361	1.6
222.05437	0.5
224.07051	1.1
228.06575	2.2
229.07324	3.9
230.04576	0.8
230.08138	25.1
231.08688	1.4
240.06557	17.3
241.07268	2.2
242.08063	1.8
243.05298	1.7
244.06071	4.7
250.05075	1.4
252.06628	1.0
253.07384	0.8
254.08171	1.4
256.06076	6.5
257.06912	1.4
258.07645	9.3
259.08417	22.2
264.59659	0.4
266.08411	0.6
268.06085	14.1
268.09052	0.7
269.06549	0.5
270.07648	1.2
272.09253	0.9
276.08707	2.4
280.06107	2.4
284.05533	0.4
285.06323	0.7
286.07104	9.7
288.08844	1.0
298.07153	3.4
300.08804	3.6
318.09766	17.2
319.09720	0.7
378.09775	4.9
379.10593	1.0
388.08157	1.0
396.10831	1.3
397.11694	6.3
406.09192	4.0
424.10352	2.6
438.11880	1.9
456.12927	50.7
457.13248	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.1
55.05505	2.3
57.03236	0.9
57.03440	9.5
57.07059	5.2
61.02914	2.4
62.69401	1.1
67.05507	8.8
69.03442	3.0
69.07066	2.1
69.65070	3.5
69.65477	3.5
71.04996	59.6
73.02903	2.4
75.04476	2.1
76.68366	1.1
81.03423	2.3
83.04977	9.1
84.11917	1.2
85.02908	84.0
85.06530	4.3
87.04462	2.9
95.04974	15.6
97.02873	5.0
99.04447	2.0
109.02879	1.4
111.04462	11.8
113.06010	59.3
127.03893	4.1
127.07537	2.7
129.05482	31.0
131.07043	100.0
139.03864	3.8
145.04971	9.9
145.08569	5.9
147.06517	15.8
163.03952	2.6
163.05971	3.8
164.09169	2.9
181.08528	1.7
223.18407	1.4
276.12317	1.5
293.12283	8.0
438.17816	1.5
454.51624	1.3
456.13293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
55.01870	2.8
55.05501	1.0
57.03437	23.2
59.05023	1.3
61.02929	10.2
67.05491	1.4
69.03431	36.2
69.74706	0.8
71.01348	3.6
71.04987	2.8
73.02920	50.0
79.05527	1.3
81.03415	4.8
81.07050	2.7
85.02907	100.0
86.03246	1.4
87.04464	3.6
91.03957	4.5
91.05491	1.7
93.07055	1.2
95.08628	1.5
97.02895	48.8
99.04443	4.0
103.03970	0.9
105.07099	1.0
107.08567	1.1
109.02886	7.9
109.10195	1.3
115.03933	31.8
121.63968	0.9
127.03916	31.5
131.08592	1.0
132.06561	1.9
133.04958	8.6
135.50169	0.9
139.03894	1.7
145.04964	51.8
147.04349	1.4
150.07597	2.1
163.06015	17.2
165.05486	1.0
166.09557	0.9
213.24327	0.8
223.06032	3.4
241.07173	4.5
259.08243	4.1
291.39111	0.9
295.10400	2.0
307.20865	0.9
360.56900	1.1
456.23892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11211	0.5
53.49804	0.6
55.01868	0.8
65.03938	1.0
68.99792	1.8
69.03434	1.1
79.05481	0.6
83.04959	1.0
85.02904	1.5
93.03401	0.9
95.04977	0.7
107.04959	0.7
111.04458	5.6
114.09204	0.7
115.07552	0.9
121.02885	0.8
123.04422	4.6
135.04469	1.1
139.03914	100.0
139.84396	0.6
140.04263	0.8
151.03900	2.9
153.05519	1.4
163.03926	13.9
181.04933	1.7
184.07558	1.6
188.07043	1.4
198.05540	0.7
200.07077	1.0
202.04982	1.0
212.07121	5.1
216.06662	2.1
217.07214	1.0
224.07082	1.4
228.06638	1.4
229.07332	2.8
230.08138	22.4
231.08835	1.2
240.06575	15.6
241.07385	1.0
242.08096	1.5
243.05305	1.1
244.06102	4.8
250.05034	1.2
252.06613	1.2
253.07349	0.8
254.08208	1.1
256.06073	6.3
257.06882	1.3
258.07684	8.1
259.08411	21.6
260.08829	0.9
268.06055	13.8
270.07602	1.4
271.08530	0.9
276.08694	2.0
280.06094	1.9
281.19125	0.6
283.05298	0.7
285.06494	0.8
286.07141	6.8
298.07202	3.1
300.08652	3.7
312.08630	0.6
318.09787	11.3
370.11615	0.6
378.09781	4.2
379.09897	0.7
397.11523	5.6
406.09320	4.1
424.10297	2.5
438.12024	2.1
456.12924	43.9
457.13098	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12082	8.5
55.01871	12.1
55.05509	34.7
57.03411	10.8
65.03909	13.2
67.05496	45.8
69.03423	32.7
69.07057	40.6
70.84650	25.4
71.04980	13.4
72.50086	10.0
74.69930	8.3
79.05489	34.0
81.03445	22.4
81.07059	100.0
82.06570	11.5
83.04984	41.6
83.08598	13.7
85.02908	44.6
85.06540	30.0
91.05447	46.4
93.07071	46.0
95.04975	26.9
95.08605	61.3
97.02863	14.8
97.06531	21.4
97.10203	18.0
99.04460	13.4
100.07588	15.8
105.07035	55.1
107.04937	12.6
107.08601	54.8
109.02849	11.3
109.06506	17.6
109.10159	43.5
111.04436	11.1
111.08086	30.5
114.09174	13.7
117.07037	18.2
118.26597	9.8
119.04896	17.7
119.08607	64.5
121.06513	19.0
121.10141	64.1
123.04430	30.2
123.11706	29.4
125.09605	25.9
127.03924	20.8
129.07048	14.2
131.08556	30.6
133.10117	27.2
133.38252	8.7
135.08096	29.4
135.11713	19.4
137.05965	22.1
137.09612	26.4
137.13254	13.7
139.03889	25.0
139.11176	10.5
143.08609	13.4
145.06497	15.6
145.10124	44.0
146.08145	13.8
147.04404	63.0
147.11676	26.7
149.09630	37.6
149.13263	12.5
151.11119	15.5
153.09087	18.4
157.10118	19.5
159.11681	24.6
161.09581	16.1
161.13258	13.9
163.11201	14.6
165.09120	35.8
171.11662	14.6
173.09679	28.1
173.13286	27.2
174.32594	10.7
175.11174	17.5
179.08589	9.6
187.11188	15.5
187.14815	28.6
198.14891	11.3
202.48776	8.9
205.12312	18.5
207.06538	12.0
215.17993	11.4
223.14604	10.0
233.18991	13.6
235.98308	11.0
256.06250	9.9
257.18896	17.4
271.79712	10.0
275.20120	97.1
285.06049	19.0
293.21094	54.9
330.51367	10.8
455.11218	29.9
455.21225	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01872	0.5
55.05516	1.5
65.03945	1.7
67.05512	1.3
69.07061	0.5
69.58102	0.4
69.59664	2.4
69.60072	1.1
79.05499	1.4
81.07030	0.9
83.04976	1.9
87.49821	0.4
89.03923	7.0
91.05486	14.3
93.07033	1.0
95.04981	0.8
95.08578	0.8
98.20701	0.5
105.07048	1.3
107.04964	1.7
107.08597	0.9
109.06532	0.6
109.10183	0.5
111.04445	22.0
117.03392	7.3
119.04944	29.2
119.08575	1.4
121.10146	0.7
124.27672	0.5
133.10161	1.2
135.04425	14.0
135.08121	0.5
135.11642	0.5
143.08513	0.5
145.02853	9.2
145.10104	0.6
147.04414	100.0
148.04771	1.5
157.10100	0.9
159.11639	0.6
161.40355	0.5
163.03915	67.1
164.04237	1.2
171.11787	0.8
186.05537	0.5
201.16347	0.5
257.08121	2.3
344.08658	0.5
455.13269	1.3
455.22989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2643
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
50.01864	1.5
51.83199	1.5
55.05500	3.2
57.03430	3.0
67.05502	4.5
69.03439	3.8
69.07079	2.0
70.37875	4.8
79.05485	4.1
81.03425	4.3
81.07057	7.9
83.04977	4.5
85.02908	6.7
85.06535	3.6
87.16527	1.7
91.05482	9.7
93.07017	5.7
95.04984	3.1
95.08604	7.1
97.06509	1.9
104.48396	1.8
105.07014	7.6
107.04945	6.9
107.08566	7.4
109.02842	2.5
109.06522	3.4
109.10133	3.8
111.08077	2.6
113.09634	2.4
119.04955	19.3
119.08584	7.9
121.10146	5.5
123.04314	1.8
123.08107	2.8
125.09628	3.4
131.08575	5.1
133.10124	6.8
135.08047	3.9
135.11653	2.5
137.09621	9.0
145.10106	3.4
147.04422	100.0
147.08002	2.4
147.11682	2.6
157.10159	3.5
159.11700	4.2
163.11188	3.2
165.09196	10.4
165.10387	1.8
173.13248	5.5
175.14871	3.3
189.12668	2.1
199.14839	2.0
201.05505	4.6
250.62820	2.2
257.19055	4.5
275.09235	17.5
275.20062	22.0
293.21060	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	455.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57442	0.8
70.59197	0.7
71.45858	0.9
77.98179	0.7
84.56356	0.8
112.89607	5.2
321.69357	0.9
455.11670	100.0
456.12076	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	455.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01415	0.4
53.03951	0.7
55.05526	2.2
63.02387	0.9
65.03938	1.9
67.05512	1.5
69.03433	0.9
69.07082	0.8
70.17030	1.5
79.05484	2.2
81.07059	2.0
83.04988	4.1
89.03929	8.8
91.05490	13.5
93.07062	1.5
94.32772	0.4
95.04993	1.1
95.08626	1.6
98.21427	0.5
105.07038	1.8
107.04958	2.6
107.08601	1.1
109.06544	0.6
109.10174	0.8
111.04452	28.3
117.03391	8.8
117.06997	0.6
119.04955	22.1
119.08596	1.5
121.02892	3.1
121.06519	0.6
121.10165	1.2
129.07047	0.7
131.08592	0.9
133.10150	0.7
135.04431	19.6
135.08038	0.6
135.11670	0.7
141.06932	0.6
142.07808	0.6
143.08612	0.6
145.02863	14.6
145.10110	1.5
147.04424	80.1
147.11679	1.0
148.04770	1.1
155.08562	0.7
157.10136	1.2
157.12514	0.4
159.11697	1.0
161.09634	0.5
163.03922	100.0
164.04271	1.1
171.11670	0.8
173.09627	0.6
183.11681	0.5
186.05418	0.6
197.13310	0.6
199.11232	0.5
201.09097	0.5
209.83553	0.4
257.08167	0.5
273.07547	1.3
275.09021	0.6
291.97284	0.4
326.46698	0.4
455.13327	1.4
455.23248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.9
58.99856	3.0
69.03430	8.5
69.80346	2.1
71.41589	3.9
75.56646	2.0
79.97235	2.3
82.99860	4.0
85.02910	14.8
95.04939	2.5
97.02894	9.0
98.97575	3.1
101.00888	35.9
103.02441	3.1
107.08577	2.2
109.01401	3.2
110.97589	2.1
113.00870	4.6
114.09164	5.0
115.02419	3.0
117.04006	5.0
119.01933	69.8
123.04456	4.6
125.00885	2.3
127.02441	13.7
127.03893	5.1
131.01913	22.2
133.03430	7.0
135.05144	2.3
137.02960	6.5
139.03883	2.7
141.03984	8.9
143.01913	70.7
145.03474	94.6
147.01381	4.5
149.02953	3.3
155.01917	44.9
157.03494	18.1
158.99599	2.5
159.05055	21.1
161.02974	70.6
163.04617	16.0
165.03928	2.9
167.01924	32.2
167.07051	6.2
169.03474	49.4
171.01398	4.5
171.05031	9.1
173.02988	66.1
174.03091	2.5
175.04573	6.3
177.00673	2.0
179.01932	3.2
181.03488	3.2
183.05077	15.4
185.02979	100.0
185.06563	3.5
186.03236	3.6
187.04550	75.6
189.02428	14.1
191.04039	4.7
197.03004	15.2
199.04550	8.8
201.02411	2.2
201.06067	7.1
203.04031	52.3
205.05399	2.2
207.03526	4.6
209.02979	5.0
211.04549	38.1
213.02478	14.5
215.04088	15.0
219.07092	3.5
221.05066	5.9
223.04570	6.2
225.02556	2.8
227.04015	15.1
229.05609	23.4
231.03462	24.0
231.06979	4.6
233.05096	5.6
237.02452	4.4
241.05400	3.1
243.03604	2.6
245.05116	34.6
251.02568	3.4
251.06117	4.6
252.07855	3.8
255.03612	14.8
257.01556	4.8
257.04871	2.9
259.06604	4.6
261.04617	2.8
263.06097	10.7
267.03351	2.6
267.07312	2.6
273.04636	2.8
275.02524	43.1
275.06021	6.6
281.07224	41.1
287.02374	5.5
293.03488	8.2
299.02576	26.8
302.69873	2.4
305.03714	14.1
317.03668	16.1
317.07059	3.9
319.08960	3.0
321.10471	14.1
323.08145	4.3
335.04666	16.9
349.09811	4.5
351.07715	5.4
365.05582	6.3
365.09235	5.9
419.06665	28.2
437.07846	51.6
455.11093	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.81013	0.5
55.05505	2.5
57.03442	4.2
57.07080	23.1
62.06091	24.7
67.05502	5.5
69.07078	4.6
69.73593	0.5
70.67918	1.0
70.68253	0.9
71.08635	16.7
81.07059	6.8
83.08629	4.5
85.10191	8.9
89.05999	0.7
91.05441	0.9
93.07042	1.5
95.08610	7.8
97.10159	2.5
98.98477	6.0
99.11700	0.6
107.08631	0.7
109.06660	0.6
109.10186	3.9
111.11672	0.7
121.10124	0.6
121.37639	0.5
123.11737	1.6
124.01569	1.7
133.10144	0.6
138.22906	0.5
142.02708	1.1
145.09999	0.6
155.01048	7.2
188.01472	0.6
198.05260	1.2
216.06393	2.8
220.37949	0.6
239.23808	1.7
282.27921	12.4
313.27371	100.0
314.27710	2.5
393.24008	5.4
436.28366	1.8
454.34186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22207	1.3
52.95609	1.3
53.03948	1.8
55.01871	2.9
55.05512	4.5
56.80046	1.3
57.03440	34.5
57.07074	3.0
59.05001	1.4
60.38990	1.3
61.02926	16.2
67.05504	5.0
69.03432	39.6
69.07068	15.2
70.26466	5.2
71.01351	3.5
71.04990	8.7
73.02919	70.0
79.29993	1.5
81.03420	5.1
81.07064	5.6
82.07426	2.0
83.08619	4.6
85.02909	100.0
87.04450	3.6
91.03952	3.9
91.05460	2.8
93.07029	4.0
95.04945	2.0
95.08602	5.2
97.02890	54.7
98.21447	1.3
99.04449	4.2
103.03954	1.7
105.07057	2.1
106.32610	1.7
107.08623	3.5
109.02872	7.9
109.06537	1.6
115.03934	38.6
121.06503	1.5
127.03922	29.0
131.08565	1.8
132.06566	2.4
133.05003	9.5
135.08060	2.3
139.07536	3.2
143.14328	4.4
145.04961	44.9
147.04353	1.8
150.07651	4.6
153.12778	3.0
163.06042	10.4
165.12883	1.8
171.13762	2.5
183.13797	2.6
209.15317	2.3
221.15340	3.1
223.06058	5.8
239.16464	2.2
241.07130	4.5
259.08084	4.0
269.17505	4.5
287.18427	2.2
295.10202	2.7
305.19528	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	454.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.6
55.05507	5.9
57.03440	22.7
57.07077	3.4
57.98048	1.4
58.05499	1.4
59.04993	3.0
61.02927	16.5
65.01601	1.7
67.05505	7.1
69.03436	29.0
69.07071	13.7
70.06586	3.4
71.01349	4.8
71.04986	6.6
71.05352	1.9
71.57591	1.9
73.02923	70.2
74.93388	1.6
79.05516	3.4
81.03416	8.9
81.07047	10.8
83.04988	4.0
83.08622	6.8
85.02909	100.0
87.04483	4.5
91.03948	3.9
91.05486	6.6
93.07053	5.7
95.04961	3.1
95.08615	4.9
96.08963	1.8
97.02896	55.5
97.06525	1.9
99.04450	4.0
100.11241	4.3
103.03928	3.3
103.05521	1.9
105.07066	5.1
107.04991	1.7
107.08596	4.0
108.08961	1.7
109.02869	6.9
109.06522	2.9
109.10152	2.6
111.04411	2.5
111.08096	1.8
113.38473	1.8
115.03943	28.8
115.05225	1.7
117.06957	2.0
119.04994	2.7
119.08612	3.4
121.06509	2.2
121.10211	2.6
123.04414	3.4
123.08050	2.6
123.11713	3.2
124.07639	2.4
127.03925	32.0
131.08588	3.1
133.04974	26.0
133.10167	2.1
135.11769	2.3
136.67473	1.5
137.05898	2.7
137.09590	2.1
139.03951	2.7
139.07484	2.8
143.14319	3.5
145.04973	47.3
145.10172	2.8
147.04366	8.0
147.11740	2.2
150.07623	2.8
151.07562	3.8
153.12778	3.5
159.11705	2.1
163.06023	14.5
165.09097	2.1
169.10150	2.2
179.14326	2.0
181.93304	1.4
182.15417	4.0
210.14954	4.1
217.07146	1.9
223.05971	4.5
238.63533	1.7
241.07124	3.9
259.08179	6.1
269.17487	2.2
295.10233	2.8
297.12360	2.8
381.79013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.01864	1.5
55.05516	5.2
57.07068	1.5
57.11318	0.9
65.03928	1.3
67.05517	11.0
69.07085	9.4
71.04997	1.8
71.13808	2.3
75.63362	0.9
79.05498	9.5
81.07067	21.9
83.04984	2.8
83.08638	3.2
85.06579	1.4
91.05488	14.2
91.26561	1.1
93.07055	17.7
95.04979	4.1
95.08614	14.8
97.06544	1.9
105.07046	22.1
107.04964	1.9
107.08611	14.4
109.06538	2.9
109.10165	13.1
110.38438	1.1
111.08069	1.7
117.07045	17.2
119.08598	19.9
121.06536	3.0
121.10156	11.5
123.04494	1.5
123.08049	1.1
123.11732	7.7
125.09634	2.4
128.06207	1.2
129.07042	5.7
130.07817	1.1
131.08586	21.3
131.09517	1.4
133.06517	1.5
133.10152	13.4
135.08096	3.1
135.11693	7.1
137.13327	1.0
141.07028	5.9
142.07829	2.9
143.08562	7.5
144.09322	1.7
145.06529	1.0
145.10139	15.6
147.08067	3.5
147.11717	12.2
149.09628	2.2
149.13318	5.9
151.11217	1.9
155.08566	10.1
156.09340	1.6
157.10139	11.4
159.08116	4.4
159.11711	24.5
161.09680	3.0
161.13289	8.4
163.11113	2.1
163.14873	2.1
166.98865	1.0
167.08633	2.2
168.09357	1.4
169.10172	7.5
170.89618	1.1
171.11734	6.0
173.09660	2.2
173.13275	12.0
175.11212	3.2
175.14932	1.5
177.12735	6.1
179.14348	2.0
181.10159	1.6
182.10896	1.7
183.11731	12.2
184.12558	1.2
185.13248	6.3
187.11201	3.2
187.14832	7.0
189.12804	2.8
189.16400	3.0
195.11783	2.5
197.13248	12.8
199.14830	12.7
201.12802	1.9
201.16437	4.3
203.14438	1.4
203.17996	4.7
205.12354	2.2
209.13284	2.1
211.14810	2.2
213.12834	1.1
213.16527	2.1
215.14357	4.7
215.17862	1.3
223.13251	1.8
225.16519	1.6
227.17885	1.4
229.16075	1.4
229.19557	14.0
233.15436	3.6
239.17986	36.2
240.18527	2.5
241.19626	4.0
243.21202	1.2
251.16342	6.6
253.19490	1.8
257.18970	11.3
269.19122	1.2
271.20645	3.0
417.31815	2.7
425.34598	1.7
435.27731	1.2
435.32877	20.8
453.33765	100.0
454.33908	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.66072	4.7
53.03939	6.3
55.05505	14.8
55.37793	5.0
57.07062	6.9
60.51247	4.9
65.55372	4.6
67.05515	28.8
69.07081	34.0
71.00794	10.4
71.01126	8.0
74.81950	4.3
75.60233	5.6
79.05499	27.5
81.07068	85.7
83.08612	11.4
89.06034	7.2
91.05489	36.1
93.07063	46.6
95.04977	10.4
95.08609	49.5
105.07027	88.8
107.08607	60.5
109.10151	36.6
117.07028	27.1
119.08595	62.4
121.10133	39.9
123.11696	23.0
128.06227	7.1
129.06985	11.3
131.08571	43.3
131.44763	4.7
133.10138	33.0
135.11705	18.9
143.08549	19.7
145.10153	49.0
147.08069	7.1
147.11707	26.0
149.13252	13.9
155.08586	8.6
157.10135	18.0
159.11711	47.0
160.12064	6.6
161.13271	100.0
163.14861	32.9
169.10074	10.0
171.11674	14.7
173.13330	8.9
175.11273	5.6
175.14859	9.4
177.12778	8.7
180.86240	4.9
183.11691	16.3
185.13231	18.6
187.14789	24.5
189.16386	12.9
195.11716	10.1
197.13217	15.7
199.11093	6.9
199.14798	11.7
201.16370	21.2
203.14316	6.1
203.17973	14.8
211.14738	5.4
213.12726	6.6
213.16396	7.0
215.14317	5.9
215.17957	6.4
227.17937	12.5
229.16042	6.0
229.19553	10.7
231.13832	12.2
233.15373	9.6
241.19650	5.8
253.19652	8.4
255.17331	6.4
273.18472	8.4
275.20117	9.7
285.21899	5.2
371.56357	5.6
389.32062	6.5
389.49390	4.6
407.33096	14.2
417.31567	8.4
435.32675	56.9
453.34100	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	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03939	6.6
55.05507	23.5
57.07072	10.3
65.03934	6.2
67.05510	33.0
69.07072	36.5
69.43903	4.2
71.08599	4.2
79.05505	33.0
81.07063	100.0
83.04973	9.8
83.08639	22.9
91.05483	35.1
93.06483	4.0
93.07055	60.9
95.04936	7.4
95.08053	5.5
95.08615	71.3
97.06524	7.2
97.10165	9.2
98.20983	22.1
105.07041	80.1
107.04955	7.7
107.08603	73.1
109.06538	12.3
109.10168	50.5
111.04439	9.3
111.73179	4.2
115.05465	5.4
117.07013	26.5
119.08592	53.8
121.06511	5.6
121.10143	53.2
123.04435	4.4
123.08091	10.0
123.11693	16.7
129.06990	12.9
131.08583	45.0
133.10124	33.4
135.08057	9.2
135.11684	20.7
137.05992	4.3
141.05544	4.2
142.07724	4.5
143.08551	27.8
145.10123	54.6
147.08087	5.2
147.11685	27.1
149.09619	6.3
149.13275	12.7
151.11237	4.5
153.05455	15.5
155.08574	10.9
156.09430	5.6
157.10159	27.3
159.07979	4.3
159.11717	46.2
161.09578	4.8
161.11986	5.0
161.13274	59.4
163.11159	5.9
163.14815	69.3
169.10146	17.5
170.10672	3.8
171.11751	21.0
173.13287	23.7
175.07558	4.9
175.11327	4.1
175.14859	12.7
177.12721	5.7
181.10057	7.2
182.11049	3.8
183.11707	12.5
185.13292	20.0
187.11143	6.6
187.14804	18.7
189.09065	5.7
189.16353	9.2
195.11716	7.3
197.13327	10.9
199.14886	13.5
201.09070	4.4
201.12700	4.8
201.16399	17.9
203.17931	17.0
209.13361	4.1
211.11096	4.9
213.16492	7.7
215.14316	10.7
215.17975	5.2
217.12254	6.1
217.15842	4.8
219.13776	5.1
225.16335	10.7
227.18050	8.4
229.12274	4.6
229.15964	4.5
231.13800	5.8
233.15268	12.0
235.20372	4.6
239.17937	5.9
244.56645	4.1
245.15297	6.8
245.19087	6.3
247.17065	6.1
255.17426	7.2
271.16815	8.1
273.18564	7.2
289.17786	4.1
291.19516	4.5
293.71207	4.2
294.82193	3.7
335.19501	3.9
389.32053	12.8
407.33127	21.1
417.32104	12.9
435.32959	36.7
453.34241	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05511	3.7
56.08870	0.7
57.07066	1.1
58.22145	0.7
65.03935	1.0
67.05509	6.6
69.07075	6.6
69.82645	4.6
71.04996	1.8
73.29808	0.8
73.64249	0.7
76.86543	0.7
79.05502	5.3
81.07062	16.0
83.04992	1.5
83.08633	2.0
85.06549	0.9
91.05482	9.3
93.07054	12.1
95.04984	1.4
95.08611	12.5
97.02951	0.9
97.06525	1.5
97.10152	1.1
103.05473	0.8
105.07040	17.7
106.07391	1.3
107.08596	10.4
109.06526	2.0
109.10175	9.0
117.07024	13.6
119.08578	16.3
121.06523	1.5
121.10143	9.9
123.08176	0.9
123.11715	5.2
125.09618	1.5
128.06232	1.7
129.07030	5.1
131.08582	16.5
132.08926	0.9
133.06467	0.9
133.10155	10.4
135.08072	1.1
135.11694	6.7
137.13304	1.3
141.06993	5.2
142.07780	1.6
143.08559	7.3
144.09317	1.6
145.06505	2.0
145.10130	13.9
147.08032	1.6
147.11697	9.1
149.09662	1.3
149.13324	4.5
155.08530	8.7
157.10143	8.3
159.08099	2.8
159.11697	20.9
161.09650	1.3
161.13219	7.5
163.11212	1.0
163.14818	0.9
167.08578	1.4
168.09380	1.7
169.00529	0.8
169.10162	7.3
171.11708	5.3
173.09663	1.8
173.13290	7.4
175.11188	1.3
175.14890	1.8
177.12802	4.6
179.14395	1.3
181.10165	1.4
182.10950	0.9
183.11719	11.1
183.79921	0.8
185.13261	6.0
187.11130	1.5
187.14780	4.9
189.12778	1.2
189.16377	2.3
195.11803	1.8
197.13280	9.1
199.14848	10.6
201.12863	2.1
201.16428	3.1
203.17928	6.0
204.18298	1.5
211.14832	1.6
213.12755	0.9
213.16409	2.3
215.14304	4.4
215.18034	1.8
217.15863	1.0
223.13324	2.5
227.18134	1.0
228.50674	0.8
229.16034	1.1
229.19553	12.6
233.15387	2.7
237.16364	1.1
239.17964	32.4
239.20430	1.6
240.18503	1.6
241.14294	1.2
241.19574	3.2
251.16245	5.1
253.19560	1.4
257.19031	10.9
269.18878	1.1
271.20578	2.2
273.18463	1.0
417.31592	2.9
425.34677	1.3
435.32706	21.9
436.32996	1.9
453.33710	100.0
454.34238	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	453.1392
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.21162	0.8
53.03930	1.2
55.01863	1.6
57.03433	2.4
61.02918	2.2
65.03924	1.8
68.99787	1.3
69.03440	5.2
69.63604	5.6
73.02915	0.8
77.03944	1.1
81.03429	2.3
85.02914	16.8
85.03422	1.2
91.03941	1.4
93.03410	1.0
95.04945	1.4
97.02894	5.9
98.21488	1.1
109.02825	1.4
111.04436	2.6
119.04933	3.6
123.04443	49.5
124.04746	0.8
127.03899	4.0
133.60316	0.8
135.04434	2.0
139.03912	100.0
140.04173	1.5
143.04956	1.3
143.12679	0.7
145.04938	2.0
147.04433	13.1
151.03932	5.0
161.06030	2.3
163.03918	7.4
165.05504	12.4
177.05496	1.6
181.04932	3.1
182.97795	0.9
205.05029	3.7
207.06491	2.6
235.06003	2.1
247.06064	1.2
265.07043	1.5
273.07681	3.9
283.08133	1.5
291.08649	20.7
301.09186	2.3
357.09418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01857	1.9
57.03432	1.6
61.02930	1.9
63.88578	1.1
67.05512	1.4
68.99766	1.7
69.03450	3.3
70.00727	2.0
70.01140	3.8
81.03437	2.5
85.02900	15.5
91.03960	1.6
93.87555	1.3
95.04961	2.1
97.02893	4.8
97.86015	1.2
98.20779	1.9
103.37452	1.5
109.02898	2.0
111.04418	3.5
119.04951	2.8
120.70840	1.2
123.04447	52.7
127.03907	4.2
135.04356	2.0
139.03915	100.0
140.04269	1.7
144.34526	1.5
145.04984	4.5
147.04405	11.5
151.03914	6.9
161.06012	2.5
163.03929	6.8
165.05479	12.1
169.04997	1.4
181.04919	3.6
205.04951	3.7
207.06642	1.5
235.06007	1.4
255.00493	1.3
273.07538	3.9
283.08002	2.7
291.08676	20.3
301.09253	1.8
315.08786	1.8
348.34442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	Catechin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01868	3.2
57.03430	1.3
61.02910	2.1
65.03938	1.6
67.05508	1.9
68.99797	3.0
69.03426	4.4
69.07069	2.0
70.06577	1.6
71.04973	2.5
71.55825	1.8
73.02900	1.4
78.94719	1.2
81.03412	4.2
83.01311	1.3
85.02914	14.9
91.05460	3.8
92.13428	1.1
93.03428	2.5
95.04974	3.7
97.02911	6.7
99.04483	2.7
103.03935	1.6
105.03358	1.5
107.04946	2.9
109.02874	3.5
110.07146	4.6
111.00087	1.4
111.04434	4.4
114.09217	1.4
119.04958	6.9
121.02908	1.5
122.06021	1.5
123.04437	100.0
127.03922	5.9
127.28871	1.2
135.04402	7.6
136.07571	1.9
137.05974	2.6
138.09169	3.7
139.03912	90.9
142.08659	5.6
143.04988	1.4
147.04416	29.3
149.05992	2.8
151.03905	14.8
153.05446	1.7
161.05986	4.8
162.09088	1.8
163.03935	38.9
165.05484	22.2
169.04855	1.4
169.57147	1.3
175.03966	3.7
177.05550	6.2
179.07101	1.7
181.04973	4.0
184.09663	2.9
189.05478	4.2
193.04929	2.3
201.05290	1.8
203.03358	1.3
205.05006	12.1
207.06506	5.7
208.09749	2.6
217.04933	2.7
223.15584	1.7
228.08643	2.4
229.05005	1.7
231.06419	2.1
235.05986	2.8
247.06039	9.0
251.14926	1.6
259.06094	2.2
265.07083	3.0
273.07562	3.3
283.08173	4.4
285.07620	3.3
291.08621	17.5
291.13696	1.9
301.09396	2.0
303.08667	2.9
304.13937	5.1
315.08636	3.6
333.09726	1.7
354.58676	1.3
357.09854	2.0
381.09775	3.3
385.85794	1.4
435.17569	2.8
453.18250	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	453.1394
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.84575	1.2
55.01880	2.1
57.03437	2.9
61.02931	1.8
61.36761	1.2
65.03950	1.4
69.03436	6.2
69.73367	7.3
79.05518	1.4
81.03445	2.8
84.08124	1.2
85.02911	22.8
91.05497	2.3
93.03458	1.2
95.04979	1.5
97.02892	6.6
99.04493	3.2
109.02877	1.6
111.04456	5.1
112.02203	3.1
119.04958	4.8
123.04438	65.2
124.04766	1.9
127.03905	5.1
130.03224	3.9
134.87910	1.1
135.04449	5.7
135.05342	1.3
137.05972	2.4
139.03914	100.0
145.04950	2.3
147.04422	15.7
151.03894	6.4
161.05952	3.7
162.09175	1.4
163.03905	10.4
163.07649	1.2
164.07036	5.8
165.05479	15.4
165.07443	4.6
166.07623	2.9
169.04919	1.2
181.04941	2.9
187.03931	1.3
193.04976	1.1
204.10252	1.2
205.05002	4.9
207.06573	3.0
208.09659	1.6
228.08727	2.8
231.06396	1.3
235.06071	2.0
238.60677	1.1
247.05965	1.4
271.05975	1.3
273.07465	7.4
291.08640	21.5
291.13434	2.7
301.06766	1.3
303.08536	1.4
315.08542	1.6
334.76389	1.4
348.09042	1.3
435.17529	3.2
453.08081	2.0
453.18732	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	452.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01871	4.4
55.03090	1.3
55.05515	4.3
57.03441	42.8
59.04996	1.3
60.04523	1.5
61.02937	19.9
67.05505	18.5
69.03438	43.1
69.07062	3.5
69.84566	6.3
70.16655	1.5
71.01350	5.6
71.04999	19.7
71.94403	1.5
73.02927	72.7
79.05491	4.3
81.03423	10.9
81.07065	31.3
83.04978	1.9
83.08611	1.6
85.02914	100.0
87.04462	4.2
91.03976	3.0
91.05489	4.7
93.07037	5.5
95.04961	3.1
95.08612	6.6
97.02904	67.0
97.06508	1.8
97.10191	1.8
99.04458	6.7
99.35291	1.5
103.03935	2.0
104.88314	1.3
105.07040	4.1
107.08604	4.8
109.02895	9.2
109.06533	2.1
109.10150	3.9
115.03945	48.7
119.08604	2.6
121.06481	1.7
121.10139	2.3
123.04482	2.5
123.11725	20.6
127.03938	33.3
131.08595	1.6
132.06572	3.2
133.04980	13.9
135.08099	1.7
135.11693	1.5
137.05945	2.2
139.03896	2.3
141.12718	4.7
145.04971	36.4
149.09702	1.4
150.07597	6.4
151.11182	2.3
152.23070	1.4
163.06075	11.5
163.07329	2.0
163.11169	2.9
174.09178	2.8
183.81822	1.4
193.04884	1.9
201.94620	1.4
219.13908	2.9
223.06030	3.6
230.13560	1.9
241.07130	6.9
249.14951	1.7
259.08215	4.9
288.05923	2.4
290.15707	4.2
303.17896	2.1
398.31036	1.6
415.59412	1.4
452.10632	1.5
452.18170	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	452.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01862	1.9
55.05523	3.3
57.03445	38.9
61.02932	16.4
67.05515	14.2
68.67525	1.3
69.03437	41.8
69.07095	2.2
70.06587	2.4
70.67594	4.2
71.01350	4.9
71.05000	18.1
73.02923	86.1
79.05495	5.1
80.81984	1.2
81.03429	9.4
81.07059	34.0
85.02913	100.0
87.04477	5.3
91.03952	4.2
91.05466	3.1
93.07058	5.1
95.04959	3.9
95.08611	4.6
97.02900	64.8
97.10142	1.3
99.04460	5.1
99.08099	2.4
103.03955	1.9
105.07037	3.9
107.08606	3.4
109.02900	10.5
109.06504	1.8
109.10172	1.9
111.04441	1.7
111.08073	2.2
115.03944	45.5
119.04994	1.7
119.08630	3.6
121.06485	2.1
121.10144	3.4
123.04421	1.5
123.08077	2.0
123.11713	20.9
127.03930	28.6
132.06544	4.2
133.04999	15.0
133.10133	2.3
135.11688	3.0
139.07527	1.4
141.12750	6.1
145.04965	34.7
145.10182	1.7
147.08006	1.7
147.11702	2.9
150.07626	6.1
151.11220	3.6
153.12738	1.5
157.10243	1.6
159.11693	1.7
163.06052	11.7
163.11238	1.5
169.12241	1.5
174.09135	1.7
180.08722	1.7
207.13879	1.4
223.06044	4.7
241.07127	5.3
249.14874	2.8
259.08160	5.3
267.16016	2.2
285.17285	1.6
290.15729	3.7
295.10251	2.9
310.22162	1.9
317.84229	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78137	2.8
53.03953	5.8
55.01859	5.3
55.05513	21.4
57.07095	7.4
59.04987	4.0
60.16671	3.0
65.03936	4.7
67.05512	49.1
69.03428	11.0
69.07079	35.6
71.04984	6.6
71.08260	6.5
76.50241	3.4
79.05499	32.1
81.03430	6.3
81.07069	100.0
83.04983	9.9
83.08616	15.9
85.02911	11.1
85.06544	27.1
91.05494	24.3
93.07057	42.6
95.04969	13.1
95.08617	85.8
97.06537	12.1
97.10171	8.2
99.04465	17.7
105.07046	42.8
107.04974	7.6
107.08610	42.9
109.02884	6.2
109.06510	14.4
109.10168	51.2
111.04456	13.4
111.08080	6.3
111.11746	7.3
113.06018	15.1
117.07034	9.1
119.04916	3.2
119.08603	38.9
121.06526	9.5
121.10175	28.8
123.04380	4.3
123.08086	6.7
123.11710	30.8
125.06026	9.2
127.03911	9.8
129.06996	6.5
131.08592	20.1
133.10135	27.7
135.08098	11.9
135.11729	22.5
137.05975	42.2
137.09581	4.2
137.13258	28.1
139.11182	3.7
140.27240	4.4
141.05476	11.6
141.73734	3.3
141.79617	3.5
143.08583	16.5
145.06471	3.9
145.10143	27.0
147.08052	6.4
147.11723	23.1
149.09631	10.0
149.13239	16.2
151.07552	8.2
151.11223	5.7
151.14891	6.3
153.05443	5.9
155.07092	7.0
155.08533	8.1
157.10164	19.7
159.11682	26.5
161.09641	6.0
161.13292	17.8
163.11180	7.0
163.14838	5.2
164.07059	4.4
167.07077	12.6
167.08522	4.1
169.10202	6.2
171.11739	7.6
173.09662	4.1
173.13280	11.3
173.70674	3.7
175.11211	5.4
175.14815	5.8
177.12782	4.7
177.16425	7.7
179.07091	6.4
179.14297	3.5
181.05025	10.2
181.10092	6.6
183.11690	9.2
185.13283	5.4
187.14836	5.1
189.12772	5.1
189.16380	6.0
191.10648	7.0
195.06551	5.9
195.10135	17.0
197.13408	6.1
203.18001	4.7
205.12238	6.1
211.09628	5.3
213.16264	5.0
215.14360	6.2
231.13939	3.7
259.17059	4.9
273.18460	5.2
359.25919	4.4
370.38635	3.6
415.32071	29.3
451.27893	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05507	19.5
57.07079	7.2
67.05506	23.5
69.03419	6.2
69.06727	2.9
69.07073	43.3
70.72696	3.4
70.73041	5.2
79.05486	23.7
81.03406	3.8
81.07059	100.0
83.04960	4.5
83.08620	14.1
85.02907	5.8
85.06548	5.4
89.49039	2.3
91.05491	18.1
93.07048	32.6
95.04982	6.6
95.08615	54.5
95.09180	1.9
97.06522	5.3
97.10181	4.6
99.04461	4.6
99.08068	5.8
105.07012	16.8
107.08607	40.3
109.02863	3.6
109.06511	13.6
109.10169	30.6
111.04430	6.4
111.08089	5.8
111.11721	5.0
117.07011	5.9
119.08597	19.7
121.06486	3.0
121.10147	23.1
123.08091	4.4
123.11736	17.6
125.06018	3.6
125.09592	4.1
125.54377	2.4
127.03887	4.3
127.11205	5.9
129.07024	3.7
131.08594	6.6
133.10153	14.6
135.08084	8.7
135.11691	19.0
137.05975	67.6
137.09570	3.5
137.13246	7.8
142.07784	3.9
143.08549	5.3
145.10129	12.1
147.07935	3.5
147.11693	8.5
149.09613	7.2
149.13257	19.9
151.07585	5.7
151.14896	2.7
153.12733	7.8
155.08574	7.2
157.10112	9.5
159.08109	3.8
159.11719	7.6
161.09621	9.5
161.13303	6.2
163.11188	4.1
165.09088	2.8
167.07124	4.8
169.10138	4.3
171.11678	4.4
173.09651	6.5
173.13216	5.2
175.11185	4.6
175.14824	3.3
177.09120	7.2
177.12717	5.8
177.16541	3.0
179.10696	7.1
181.04910	4.3
183.11755	4.5
185.13353	3.2
187.11125	6.1
195.10194	11.4
195.11748	3.4
197.13216	3.2
201.16379	2.9
205.12335	5.5
211.14969	3.7
213.12828	5.4
225.16260	4.1
229.15916	4.1
241.15938	5.9
243.17517	13.2
255.17424	7.4
259.16898	5.7
261.18561	4.5
271.16858	3.6
273.18512	13.4
397.30875	10.3
415.31873	10.0
451.28784	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	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10783	2.6
55.05511	10.7
57.07080	3.6
57.83949	2.4
67.05505	17.7
69.07068	14.9
69.53296	16.8
71.04996	4.2
79.05497	20.3
81.07066	41.8
83.08611	6.5
85.32690	2.8
89.06042	3.9
91.05492	27.8
93.07055	23.2
95.08611	33.3
97.06535	2.8
97.10170	5.7
105.07043	51.5
107.08616	23.1
109.10162	21.9
117.07027	24.0
119.08590	38.7
120.92230	2.9
121.06522	3.1
121.10146	15.3
123.11707	6.8
124.33136	3.5
129.07018	12.2
131.08582	36.1
133.06458	2.8
133.10150	25.1
135.11685	9.4
142.07799	8.6
143.08577	16.5
144.09378	5.7
145.10121	28.3
147.11697	22.6
149.13298	5.0
153.07014	3.4
153.12807	3.4
155.08595	8.1
157.10150	26.1
159.10448	5.8
159.11711	100.0
161.13269	30.6
163.14778	6.6
169.10208	7.3
171.11681	11.2
173.13260	10.5
175.11188	7.9
175.14729	2.8
182.92816	2.7
183.11673	9.4
185.09650	3.0
185.13264	14.9
187.14877	11.0
189.12675	4.1
189.16368	4.3
195.11722	10.3
197.13268	4.5
199.14835	8.7
201.12714	4.1
201.16399	8.9
203.18002	25.2
211.14911	4.2
213.12874	4.1
213.16379	5.2
215.17920	3.5
217.15907	3.2
228.27396	3.1
231.13876	9.9
237.16357	5.8
245.19235	3.1
265.19571	4.8
273.18576	8.2
305.15219	3.3
305.22726	3.8
345.25821	3.2
351.23230	7.7
387.30588	3.6
389.31979	3.4
397.28702	3.0
405.31342	6.3
413.12726	3.1
433.31073	47.6
451.32065	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	451.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22536	1.7
53.03953	1.8
55.05521	6.8
57.07087	2.6
59.18667	2.0
61.20704	1.5
64.69965	1.6
67.05506	15.9
69.07081	10.0
70.38873	6.6
72.53572	1.8
79.05502	16.1
81.06587	2.1
81.07066	38.5
82.07389	1.9
83.08619	3.9
83.11795	1.6
85.06511	1.8
85.46288	1.8
91.05487	28.3
93.07056	23.4
95.04967	3.0
95.08613	25.2
95.24384	1.6
98.20879	2.3
98.21446	2.5
105.07037	53.2
106.04465	1.5
107.08607	17.5
109.10148	18.7
115.05470	3.2
117.07020	26.2
119.08588	32.2
119.09370	3.0
121.10152	14.3
123.11726	7.3
128.06230	3.2
129.07024	12.4
130.07813	3.0
131.08592	35.9
133.06549	1.8
133.10153	20.4
135.11726	9.8
140.59357	1.4
141.07001	3.5
142.07784	3.0
143.08597	16.8
144.09366	6.4
145.10129	26.0
146.76175	1.7
146.79224	1.6
147.11690	18.8
149.05959	2.9
149.13287	5.3
155.08553	9.3
156.09337	2.6
157.06461	3.9
157.10159	21.2
159.08110	2.2
159.11708	100.0
160.12074	2.0
161.06053	1.8
161.13272	43.7
161.48453	1.6
163.14835	5.8
165.06999	3.0
167.08549	2.8
169.10210	6.6
171.08139	2.0
171.11761	8.0
173.13290	11.7
175.07599	2.7
175.11330	2.1
175.14899	4.8
180.09294	2.7
181.10190	2.4
183.11761	7.1
185.13258	18.6
187.14877	8.4
189.09143	4.2
189.16414	3.6
189.61444	1.8
191.17856	2.0
195.11673	11.0
197.13286	5.2
199.14859	5.8
200.54596	1.5
201.16379	13.2
203.10620	2.9
203.17946	13.0
207.11803	2.7
209.13272	2.5
213.12785	4.0
213.16502	2.9
215.14394	2.1
215.17964	2.9
217.15785	2.3
217.19431	2.1
219.13795	2.6
219.17468	2.8
223.14807	2.6
225.16309	2.7
227.14622	1.7
227.18005	5.1
229.19559	2.3
231.13870	8.3
233.13358	2.2
237.16333	2.4
243.17365	2.1
243.21182	1.9
245.19119	3.6
251.18056	2.4
253.16049	2.3
253.19720	1.9
255.17561	2.1
271.16949	3.1
273.18488	10.6
275.20038	2.4
291.19757	1.8
305.22861	2.2
323.20016	2.1
325.21799	2.0
333.25711	3.5
351.23413	2.4
375.23462	2.0
387.30490	7.2
389.32169	4.1
405.31741	9.7
415.30017	4.1
433.31055	28.1
451.32248	29.6
455.81079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	1.0
55.05511	1.2
57.03433	3.2
59.05001	1.5
61.02935	7.1
62.75515	0.7
69.03433	9.4
70.06583	2.3
71.01338	0.8
71.04997	5.4
71.55266	0.9
73.02914	2.1
73.98228	0.8
79.05496	1.6
81.03431	4.7
81.04539	6.4
81.07056	9.1
82.05314	3.8
83.06116	2.1
84.04509	1.4
85.02422	1.6
85.02909	16.8
87.04478	1.5
87.08108	1.9
88.80826	0.8
91.05479	1.1
95.06097	14.4
97.02904	6.7
99.04501	1.9
105.44347	0.8
107.06044	1.5
109.02894	3.1
110.07193	1.0
111.04414	1.7
111.05572	43.8
113.09666	1.0
116.07091	1.2
119.04935	1.3
121.02969	0.8
123.04460	11.4
123.05566	35.1
125.07129	3.0
127.03926	9.7
135.04393	5.3
136.07590	1.2
137.06009	1.4
138.05547	1.6
139.03903	10.0
141.06595	66.1
145.05005	2.2
147.04395	1.4
149.02278	0.8
151.03902	2.3
154.04985	1.0
161.06024	1.0
163.03911	4.0
163.12302	4.4
164.07068	2.5
165.07335	1.7
178.08653	1.5
191.11797	2.5
193.13440	1.4
199.80547	1.0
208.09724	1.2
209.12843	7.0
219.08011	0.8
221.12863	12.4
223.14505	1.1
225.15938	1.0
234.99063	1.4
237.02835	1.5
239.13901	23.5
241.15460	10.1
253.15613	2.3
255.17024	1.6
271.06201	1.6
271.16537	100.0
272.16867	0.9
273.07681	1.9
289.07098	3.3
289.12503	1.0
289.17633	25.6
296.70532	0.9
344.06979	1.2
367.09598	0.9
415.21002	1.2
425.65427	0.9
433.21832	28.0
451.17700	4.2
451.22989	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3211
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
52.89583	2.6
53.03945	2.9
55.05508	16.7
57.07069	4.4
67.05505	28.4
69.07083	17.6
71.05006	3.4
71.56203	4.3
77.48144	3.2
79.05493	24.5
81.07063	60.0
83.08620	10.7
89.34352	3.1
91.05480	36.2
93.07047	37.4
94.07372	3.3
95.04975	4.7
95.08604	42.0
97.06544	3.0
97.10203	4.6
98.21085	2.8
103.05444	3.5
105.07037	53.2
107.08611	41.3
109.06518	2.7
109.10173	33.9
109.93378	3.2
110.00446	2.9
113.00003	17.5
115.05453	8.4
117.07004	22.5
119.08576	33.1
121.06535	3.3
121.10129	25.2
123.11705	54.9
125.27466	2.8
128.06255	6.4
129.06993	21.4
131.08595	34.2
133.10155	23.4
135.08067	4.1
135.11710	30.4
137.05968	4.0
138.40338	2.8
141.07010	11.7
142.07774	18.2
143.08569	27.6
144.09311	5.0
145.06477	4.8
145.10129	33.1
147.11693	20.0
149.06116	3.9
149.13228	22.0
151.11275	4.1
153.07001	5.1
155.08542	33.8
157.10124	66.2
159.11713	89.5
159.13034	5.7
161.09709	4.8
161.13309	21.0
161.14432	3.0
163.14833	6.3
167.08578	4.8
168.09363	13.1
169.02611	17.7
169.10236	7.2
171.08093	3.8
171.11714	9.7
172.12199	3.4
173.09663	7.5
173.13304	12.3
175.11218	18.2
175.14752	5.7
177.12813	5.9
178.07776	3.4
181.10057	15.6
183.11699	37.9
185.13304	10.8
187.14828	5.9
191.10631	4.4
193.10144	6.6
195.11755	10.1
197.11070	2.9
197.13275	9.2
197.61356	3.0
199.14813	4.2
201.09056	4.0
201.16365	8.3
203.17964	11.2
205.19577	10.1
209.13312	5.3
211.11221	12.4
211.14815	3.5
215.14339	6.3
221.13351	3.5
223.14961	5.3
227.18015	3.6
229.12207	31.5
229.19522	15.4
231.13759	4.5
231.21107	6.6
239.17949	3.8
247.13235	6.2
249.16554	5.5
251.17862	4.1
255.07834	3.4
257.19077	4.7
275.20154	10.3
325.21841	4.2
339.29034	8.5
353.20914	4.3
367.22598	15.0
369.24097	4.3
387.30637	9.0
405.31772	12.3
433.31079	24.0
451.32172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
68.15043	0.4
69.01804	0.4
69.03422	1.4
70.75490	0.9
71.05014	0.6
72.08137	0.4
73.02914	1.6
75.04480	0.5
79.05493	1.3
81.03416	0.9
85.02912	2.5
91.05503	2.2
93.07047	0.7
94.06554	1.1
96.08157	0.8
97.02888	1.1
99.04430	0.8
103.03943	0.5
103.05477	0.6
106.06570	1.3
108.08104	0.5
116.05020	0.4
117.05753	0.6
118.06550	2.1
119.07361	0.7
120.08122	13.8
121.02958	0.5
122.09609	0.5
123.04453	1.4
124.07600	7.8
126.09168	0.9
127.03921	1.6
134.06036	5.9
135.04410	0.5
136.07568	3.5
137.05972	0.8
138.05501	1.5
138.09196	0.5
139.19572	0.4
145.04993	0.7
146.06009	3.0
147.06807	2.1
148.07582	12.0
150.09134	0.8
152.07132	1.0
153.01904	0.4
163.03938	0.8
164.07082	62.6
166.08618	2.3
167.07080	0.5
172.11136	0.7
196.58617	0.5
198.12657	0.5
200.10762	1.1
202.05951	0.4
214.10976	0.8
215.15416	2.5
216.10294	1.4
229.13370	1.0
243.14990	6.2
245.16528	2.8
253.13345	1.4
254.11792	1.2
271.14426	23.7
287.05157	0.5
289.15488	100.0
290.15842	1.9
303.04874	0.6
305.05585	1.0
317.06567	1.2
318.06808	1.6
319.07214	4.4
421.76663	0.4
451.20883	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1216
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
53.18927	1.4
58.25265	1.5
61.02913	2.2
67.16373	1.4
69.03411	4.3
69.62753	8.4
71.04995	2.3
72.94575	1.5
73.02921	2.7
74.60270	1.4
76.14833	1.3
80.03651	1.7
81.03408	3.4
82.48853	1.4
85.02900	10.7
95.06089	2.5
97.02875	5.1
101.00871	1.9
109.02822	1.9
111.05569	3.8
119.01904	1.9
123.04398	4.6
124.04718	1.7
127.03912	6.0
127.04939	1.6
139.03912	3.0
141.06554	3.7
144.05240	1.8
145.04912	2.6
164.07101	10.4
165.07455	7.8
173.02933	2.3
189.06006	2.3
241.15437	2.3
271.16470	7.0
289.12512	2.0
289.17612	2.8
314.28857	1.5
372.08020	1.5
451.12076	100.0
451.17688	14.8
452.12296	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	451.1234
Annotation	Dalbergioidin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	3.4
55.01865	3.1
57.03437	3.9
61.02928	4.9
65.03941	4.0
67.05492	2.3
68.99781	3.6
69.03430	16.7
70.63749	3.2
71.04994	1.9
73.02889	2.1
81.03417	8.9
83.04983	1.7
84.08208	1.5
85.02906	42.6
87.04487	2.1
91.03919	2.5
93.03406	3.0
95.04960	3.5
97.02898	16.1
99.04465	3.3
105.03396	2.0
107.04970	2.9
109.02895	6.9
111.00783	2.9
111.04478	10.2
123.04430	100.0
127.03920	32.5
127.04807	2.4
130.12256	1.7
131.04942	2.0
135.04416	34.3
139.03906	67.2
145.04964	7.4
147.04410	7.7
149.02345	2.8
151.03911	21.8
155.03369	2.5
159.04387	2.3
163.03903	19.3
163.07573	2.0
164.07118	2.1
166.46774	1.4
173.05991	2.5
175.04034	1.7
177.05446	2.2
179.03423	2.9
187.03937	2.5
189.05415	2.5
201.05556	1.7
205.05063	1.5
211.08543	1.8
215.06992	1.6
231.06569	2.7
243.06548	4.5
247.05965	1.5
247.28029	1.4
259.06085	4.7
261.07635	8.1
271.06015	15.3
273.07547	17.9
283.05945	2.5
285.97614	1.4
289.07025	18.1
289.21481	1.7
291.83972	1.8
451.17749	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02164	0.9
53.03947	2.4
55.01863	1.6
57.03420	3.4
61.02929	5.1
67.05488	1.3
69.03433	15.4
70.06570	1.7
71.04984	2.6
71.57745	1.2
73.02913	3.7
81.03409	8.1
85.02419	1.8
85.02908	23.7
87.04457	3.3
88.80503	1.0
95.04928	1.4
97.02892	9.4
99.04448	5.2
103.03938	1.9
109.02894	6.6
119.04978	1.1
120.88728	1.0
123.04427	5.7
124.07581	2.2
127.03917	11.5
135.04391	4.3
138.05507	3.0
139.03888	4.2
139.05840	2.2
145.04973	3.3
151.03864	2.5
163.03873	1.4
164.07068	3.3
166.09921	1.2
173.33083	1.1
181.07672	3.4
182.08397	36.5
183.09109	3.2
195.09137	7.4
197.07124	3.8
198.07858	1.3
206.08368	2.1
207.09119	6.5
209.07111	4.1
210.07913	1.9
211.08676	100.0
212.09019	2.1
223.08630	5.2
225.10260	6.0
235.08698	2.9
241.09747	12.3
253.09760	12.0
271.07791	1.9
271.10776	34.5
271.13663	1.1
272.11108	1.1
289.11841	93.8
290.12161	3.0
415.15125	1.2
433.16220	4.6
451.17123	83.5
452.17133	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	450.1763
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03943	0.5
55.01853	0.5
57.03428	0.9
57.30553	0.5
61.02921	1.1
69.03433	5.1
73.02921	0.7
79.10108	0.4
81.03410	1.5
81.13195	0.5
85.02911	5.8
87.04449	0.9
91.05463	1.0
97.02903	2.5
97.42736	0.4
98.20531	0.4
99.04455	0.7
107.04939	0.5
109.02879	0.8
115.05463	3.7
118.06539	1.0
119.04930	1.0
123.03561	0.9
123.04443	17.8
127.03902	1.9
131.04999	0.4
133.06532	0.8
135.04422	0.7
137.06039	2.1
143.04935	7.2
147.04417	1.0
161.04628	0.6
161.05992	10.6
164.07085	100.0
165.07376	1.4
179.08589	0.9
186.29454	0.4
207.08070	1.4
208.64790	0.4
225.09021	0.8
235.07622	0.7
253.08646	1.0
271.09662	7.2
288.09042	0.8
288.12302	16.2
450.17636	56.3
451.17941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67867	0.6
52.23059	0.6
53.03945	1.6
55.01870	1.9
55.72808	0.6
57.03443	4.4
61.02943	5.8
65.03944	2.0
69.03078	1.0
69.03433	13.0
70.35484	1.3
70.35871	1.6
71.05001	1.6
73.02923	2.5
76.50701	0.7
77.02866	0.8
77.72375	0.8
81.03439	2.7
81.28342	0.7
85.02912	63.5
87.04480	1.4
91.03954	3.1
91.05489	100.0
91.30219	0.8
95.93015	0.8
97.02901	32.0
99.04475	2.0
105.07049	1.1
107.04968	1.7
108.05150	0.8
109.02916	6.2
115.03950	2.1
117.07047	1.4
123.04471	1.2
124.07617	2.5
127.03936	13.9
129.07008	1.0
133.06505	1.2
139.03954	0.8
143.03438	1.3
143.08656	0.8
145.04971	25.6
145.06508	1.6
153.05598	0.9
153.07072	0.8
156.10162	0.9
157.06448	1.1
157.07611	1.1
158.07935	1.4
161.04491	1.8
162.05620	1.4
163.06052	12.5
171.08044	1.9
172.69865	0.7
175.07539	0.9
184.09593	0.8
187.07542	1.1
199.07561	1.1
214.95743	0.7
217.08667	3.5
235.09656	1.6
252.00688	0.8
253.10828	1.9
270.11240	1.8
287.05835	0.8
288.05988	1.4
288.14673	1.0
325.11490	0.9
336.01904	0.9
354.41690	0.8
427.76672	1.0
432.16589	1.5
450.17014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05515	22.4
57.07081	13.2
67.05503	7.6
69.07072	21.1
70.99036	4.5
71.08649	12.0
79.05525	2.6
81.07071	17.3
83.04974	3.0
83.08623	21.4
85.10195	5.7
91.05492	7.1
93.07043	10.0
95.04984	4.1
95.08624	16.3
97.10165	23.4
104.10425	2.0
105.07049	5.5
107.08603	2.5
109.06570	3.8
109.10159	12.6
111.08079	9.8
111.11725	3.7
117.07060	2.0
119.08599	14.3
121.06506	5.1
121.10146	6.9
123.04408	9.2
123.08082	3.3
123.11730	8.3
125.09679	2.1
133.10136	4.6
135.11714	9.6
137.06006	3.6
137.09612	19.4
138.96725	1.8
139.07549	30.7
147.08020	2.8
147.11694	2.8
149.13274	2.5
151.11168	9.3
163.14792	2.3
165.09154	7.7
165.12807	4.5
179.14331	6.3
189.16389	2.5
193.15965	5.6
207.17453	4.0
241.16313	2.1
295.16235	1.9
319.91687	2.0
340.46396	2.1
347.29550	3.4
385.38718	2.1
403.39310	27.0
427.37387	1.9
431.38901	84.9
432.39133	3.4
449.40030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3993
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.01860	1.7
55.05518	22.3
55.77907	1.0
57.03453	1.1
57.07081	16.3
58.73939	1.1
59.76198	0.9
60.67112	1.0
64.95350	1.0
67.05511	10.6
69.03433	1.3
69.06722	1.9
69.07076	25.6
70.69303	3.1
71.08645	9.5
79.05497	4.0
79.83340	1.0
81.07066	13.0
83.01318	1.4
83.04977	3.7
83.08626	18.6
85.10182	5.2
91.05465	5.5
93.07050	8.0
95.04967	3.9
95.08620	13.2
97.06554	2.1
97.10180	20.4
103.02077	1.0
105.07076	5.4
107.08604	4.3
109.06531	3.3
109.10155	11.5
111.08094	10.4
111.11730	4.3
119.08598	17.8
121.06525	5.1
121.10153	5.6
123.04458	10.7
123.08083	4.4
123.11733	6.8
125.09695	2.0
129.13039	1.2
131.12981	1.1
133.10153	4.3
135.11720	8.3
137.05959	1.4
137.09630	19.2
137.13287	3.2
139.07558	40.3
139.08632	2.2
139.11128	1.5
147.08069	3.8
147.11703	4.0
149.09607	2.1
149.13333	2.5
151.07571	2.3
151.11174	8.5
153.09161	2.4
155.10768	1.3
161.13264	2.0
163.70236	1.0
165.09143	8.2
165.12784	7.5
167.10707	1.4
175.14914	2.6
179.10713	2.0
179.14319	8.1
183.10213	3.0
185.32843	0.9
189.16386	1.4
193.12234	1.6
193.15862	5.9
194.14864	1.0
207.13904	1.1
207.17448	2.5
221.15346	1.6
221.19067	1.4
235.20485	1.4
241.31769	1.2
249.18739	1.1
347.29712	5.5
362.81583	1.2
373.48502	1.3
385.38205	1.8
403.39392	26.6
431.38895	100.0
432.39276	2.6
449.39938	89.1
450.39905	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	449.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.7
57.07079	8.0
63.31753	1.1
66.92619	1.0
67.05501	2.0
69.07072	11.6
71.08625	5.6
71.18542	1.5
71.18851	1.3
75.41773	1.0
81.07049	3.0
83.08624	6.9
85.10186	2.4
91.05489	1.3
93.07043	2.3
95.08624	3.5
97.10175	4.0
105.03404	5.8
107.08567	1.5
109.10152	3.4
111.11726	3.8
111.13301	1.0
121.10135	1.6
123.11730	1.2
131.08568	1.6
132.54362	1.0
133.02837	3.2
135.11659	2.3
141.06985	1.4
147.04414	1.8
149.13245	1.4
159.08073	3.0
165.07056	1.9
171.08115	5.8
173.05937	1.6
177.39580	1.3
179.08566	3.2
181.06499	1.6
182.07320	2.4
187.05864	2.1
187.07558	38.5
193.10052	1.3
197.09595	1.3
198.40912	1.0
210.06747	5.0
211.07571	16.8
211.11116	2.3
221.09612	1.2
224.08311	1.2
225.09117	100.0
226.09622	1.7
238.09932	2.0
239.10693	4.0
253.12213	1.8
267.13855	4.1
431.39008	1.6
449.34158	32.4
449.39740	1.8
456.17233	1.1
462.83078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3993
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
52.11204	2.6
54.39109	2.4
55.05521	21.4
56.91442	2.5
57.07085	20.6
65.42659	2.8
67.05500	10.8
69.07073	24.6
71.08633	9.5
75.17010	2.9
76.90942	3.0
79.05502	3.8
81.07076	18.0
83.08625	20.4
85.10180	6.8
91.05476	6.3
93.07053	9.6
95.04932	3.7
95.08607	18.5
97.10186	21.9
105.07056	5.6
106.93154	2.3
107.08598	7.3
109.06516	4.1
109.10202	14.7
110.07229	2.4
111.08062	8.9
115.65247	2.7
119.08597	18.8
121.06573	3.1
121.10149	7.6
123.04427	7.0
123.08076	4.9
123.11707	7.5
130.21039	2.4
133.10107	6.3
135.11673	3.9
137.09624	16.3
137.83705	3.4
139.07553	35.2
147.08032	5.0
149.13309	3.4
151.07527	5.1
151.11191	10.1
161.13284	6.4
165.09210	12.5
165.12698	5.7
166.86205	3.0
179.14363	8.1
187.07542	3.9
193.15904	4.4
225.09175	7.2
299.13052	2.6
327.96796	3.0
347.29398	6.1
387.60779	2.8
394.80225	2.9
403.39319	33.8
431.38922	100.0
449.34784	5.3
449.39957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.05511	9.7
57.07077	4.4
65.03397	2.0
67.05514	16.6
69.07074	17.5
70.36774	6.8
79.05487	16.6
81.07063	43.4
83.08622	5.8
86.09690	5.2
86.38709	2.4
91.05479	28.5
93.07045	34.6
95.04974	6.9
95.08618	39.7
103.05492	2.8
105.07037	41.0
107.08604	28.2
108.22463	1.8
109.06499	3.3
109.10159	28.6
113.02358	2.3
115.05460	1.8
117.07040	10.6
119.04960	2.1
119.08586	74.4
121.06557	4.2
121.10157	23.3
123.08026	2.7
123.11732	16.8
128.06232	7.5
129.07005	14.2
130.07791	1.9
131.08568	23.0
133.06505	3.2
133.10141	35.8
135.08067	6.4
135.11694	10.3
137.13284	3.2
141.06963	9.1
142.07762	10.8
143.08578	23.6
144.09326	5.3
145.06499	4.2
145.10139	45.4
145.11270	3.1
147.08052	3.5
147.11682	29.2
149.06047	2.8
149.13257	21.9
151.07584	2.6
153.07005	4.1
155.08533	12.4
156.09348	30.7
157.06522	2.9
157.10144	35.3
159.08089	3.4
159.11696	34.8
161.05965	3.4
161.09659	4.5
161.13248	11.5
162.44614	2.1
163.07558	5.5
163.14868	4.5
165.07057	4.2
166.07785	6.8
167.08545	3.0
168.09361	6.7
169.06491	2.6
169.10152	8.3
171.08066	8.9
171.11694	37.1
173.05998	8.8
173.09654	6.5
173.13313	7.8
175.07550	4.7
175.11165	6.7
175.14813	4.5
177.16399	5.4
181.10115	20.2
182.10808	2.8
183.08084	3.0
183.11664	18.2
184.08878	19.7
185.06013	3.0
185.09613	5.4
185.13283	7.8
187.07552	4.5
187.11304	3.4
187.14868	4.8
189.16408	4.1
191.17964	2.4
193.10188	5.1
195.11737	6.4
197.13284	6.2
199.11206	27.1
199.14854	5.3
200.11531	2.2
201.12767	4.4
201.16409	13.2
203.17978	41.3
205.19519	17.9
209.09673	2.7
209.13310	3.3
211.11215	11.1
211.14819	2.5
213.09135	5.4
213.12920	4.2
213.16438	2.6
215.10739	6.6
215.18010	4.7
217.12323	2.3
223.14928	3.8
227.10677	100.0
227.14267	4.7
228.11180	3.6
229.12231	27.1
241.15750	4.2
243.13777	2.3
245.11792	2.2
247.13196	2.4
255.13795	4.3
261.75888	2.1
269.15433	17.2
271.16919	2.5
283.16998	2.6
376.32336	2.1
403.29999	4.1
421.30829	4.6
431.29495	23.0
449.30548	62.5
450.30942	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	449.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.2
56.09946	0.9
57.07076	2.1
57.08040	0.8
65.03940	1.3
67.05510	7.9
69.07079	7.9
69.22588	9.6
70.15369	0.8
79.05502	4.8
81.07067	16.9
83.04992	2.0
83.08626	2.4
91.05480	10.8
93.07046	10.9
95.04984	9.6
95.08607	15.3
97.06532	1.2
97.10172	1.2
103.05461	1.1
105.07037	34.7
107.08607	11.3
109.06503	3.1
109.10160	15.6
115.05412	1.2
117.07021	5.0
119.08585	42.7
121.06533	1.0
121.10146	7.9
123.08101	1.7
123.11718	7.1
128.06216	1.6
129.06996	2.1
131.08585	9.0
133.06471	3.4
133.10141	13.2
135.08061	8.4
135.11723	1.4
137.13254	1.1
141.07025	1.0
142.07785	2.5
143.08580	4.6
145.06496	1.3
145.10143	10.2
147.08058	2.6
147.11694	37.5
149.13297	1.6
151.07559	13.0
153.07047	1.1
155.08551	2.3
157.10143	6.0
159.08046	1.9
159.11714	10.0
161.13290	7.3
165.09030	1.2
168.09364	1.6
169.10097	2.5
171.11688	4.1
173.09613	1.9
173.13264	5.1
175.11215	2.0
175.14749	1.5
178.77484	0.9
183.11725	4.7
185.13249	1.5
186.14206	0.8
187.11258	1.1
193.10130	1.0
197.13268	1.3
201.12794	2.7
201.16435	2.0
203.17966	100.0
204.18333	1.9
211.11159	2.0
213.16444	2.2
215.17957	5.3
217.12314	1.3
227.17981	1.0
229.12231	3.6
229.15868	1.4
240.52692	0.9
247.13287	6.9
389.60397	0.9
403.29980	3.6
419.29709	1.2
421.23129	1.1
431.29495	3.8
449.22928	5.3
449.30472	25.9
449.36554	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
53.67267	1.3
54.97512	1.3
55.05512	6.4
57.07072	3.6
62.87803	1.3
65.03933	1.5
66.62055	1.3
67.05507	15.9
68.90459	1.4
69.07074	10.7
69.16357	1.4
70.21038	1.5
71.05005	1.5
71.34798	1.9
76.52567	1.4
79.05489	13.0
81.06581	2.6
81.07064	39.9
82.74702	1.3
83.08643	2.2
91.05496	13.5
91.09076	1.4
93.07052	26.9
95.04975	4.7
95.08614	24.2
97.10164	1.8
98.21252	1.8
105.07042	20.9
107.08593	27.9
109.06547	3.7
109.10165	26.6
115.05461	2.1
117.07050	4.3
118.78658	1.5
119.08602	16.9
121.06515	2.9
121.10169	11.7
123.11716	100.0
128.06227	2.9
129.07007	6.1
131.08560	11.7
133.10172	10.1
135.08090	7.7
135.11699	37.3
141.07019	1.7
142.07829	3.4
143.08580	8.5
145.10144	14.8
147.11687	11.6
149.13252	12.9
149.37431	1.6
155.08591	3.5
157.06502	1.7
157.10118	7.5
159.08093	1.9
159.11719	18.6
161.13277	10.4
163.11163	1.5
163.14839	1.7
167.08650	2.0
169.10182	4.4
171.08153	4.0
171.11676	8.7
173.09665	2.5
173.13307	4.3
175.11212	4.4
175.14902	2.6
177.12691	1.6
177.16446	2.0
181.10170	4.5
183.11717	4.3
185.13271	5.1
187.11287	2.6
187.14853	2.8
189.16373	2.5
191.17912	3.5
193.10110	2.2
195.11772	2.8
197.13319	3.7
199.11247	5.9
201.16402	11.1
203.17946	8.4
205.19585	8.1
209.09732	2.4
209.13194	1.9
211.11215	3.0
213.12862	2.3
215.18004	2.7
217.19495	7.5
227.10812	4.7
229.12413	2.7
245.11758	22.0
259.13303	2.4
319.25323	1.8
367.22952	2.5
375.66000	1.6
403.30115	4.2
431.29532	8.3
442.66833	1.6
449.30670	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
58.03344	0.2
61.02925	0.8
67.01854	0.7
68.99799	0.3
69.03409	0.2
70.99111	0.4
73.02905	0.2
85.02895	0.6
91.03957	0.3
97.02894	0.4
117.03384	0.2
121.02863	0.3
128.61436	0.2
133.41432	0.2
135.04419	1.5
137.02376	0.8
147.04356	0.2
153.01839	5.3
161.02390	0.5
165.01842	0.3
171.02867	0.4
179.03424	0.2
213.05420	0.4
230.53072	0.2
231.06514	0.3
241.04921	0.7
264.89017	0.2
269.04514	0.3
287.05505	100.0
288.05847	1.9
299.05527	0.6
307.43057	0.2
329.06500	0.4
353.06519	0.2
395.07672	0.2
449.10764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1423
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
52.24745	1.9
54.91011	2.2
56.60012	1.9
59.38667	2.0
62.86710	2.2
69.03410	3.8
69.87280	4.3
69.87699	8.9
70.06548	3.3
73.02915	3.0
78.35872	2.2
84.04457	6.8
84.08099	2.2
85.02871	7.1
86.09689	4.7
97.02873	5.1
98.20854	2.9
107.04934	4.3
119.04766	2.5
119.46222	2.3
123.04359	3.6
125.02345	3.8
125.07128	2.8
126.05479	5.7
127.03901	5.9
135.58766	2.3
137.05917	2.2
145.48880	2.1
146.19334	2.2
151.03867	2.9
161.02902	3.6
164.07005	9.0
173.02914	2.7
185.06714	3.0
197.94925	2.4
244.06389	2.4
245.04921	3.6
246.14471	2.9
305.10629	6.5
320.57925	2.3
389.13568	2.7
399.81989	2.4
449.14124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03933	0.6
53.72380	0.2
55.01888	0.4
57.03425	0.8
61.02929	2.3
63.46208	0.2
68.99766	0.8
69.03430	3.1
70.70713	0.4
70.71051	0.2
71.04981	0.6
73.02903	0.7
79.05497	0.3
81.03419	1.3
85.02907	7.8
87.04469	0.2
88.98897	0.2
91.03956	0.7
95.04978	0.2
97.02892	3.3
99.04482	0.4
105.03394	0.3
107.04929	0.7
109.02895	1.1
111.00814	0.7
121.02870	3.0
127.03903	1.4
129.06982	0.2
133.02887	0.6
135.04369	0.3
137.02357	1.0
138.13823	0.2
145.04974	1.3
147.04407	0.7
153.01830	4.7
157.06451	0.5
161.05997	0.4
165.01825	1.8
171.04468	0.3
175.03969	0.2
177.09056	0.4
183.02858	0.8
185.05966	0.5
189.05438	0.2
197.05962	0.3
213.05434	1.6
229.04893	0.2
231.06525	0.9
241.04936	1.0
258.05261	1.3
259.05994	0.6
266.11761	0.2
282.46426	0.2
287.05493	100.0
288.05811	2.4
299.05542	0.6
329.06607	0.4
346.36069	0.2
353.06265	0.2
392.29489	0.2
449.16925	0.2
466.64697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03431	2.4
68.99810	2.1
69.03440	1.8
70.07391	5.4
71.04999	32.2
73.14143	1.5
76.82010	1.3
85.02908	27.0
85.25418	1.5
89.88255	1.4
95.34045	1.5
97.02912	1.8
116.03981	1.5
129.05478	6.6
137.02313	3.2
153.01849	7.5
165.01859	3.2
201.05536	1.7
229.04976	2.6
230.97614	1.6
287.05502	24.1
303.05008	100.0
304.05112	1.6
323.05676	1.8
345.06015	2.3
436.52396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.40376	0.5
61.02933	5.7
68.99799	0.8
69.03428	0.6
69.25021	0.7
69.25425	4.6
73.02916	2.0
85.02907	6.2
91.03968	2.8
91.27097	0.5
97.02915	3.0
105.03426	0.6
111.00808	1.3
121.02897	3.1
127.03984	0.7
133.02881	1.0
137.02330	0.6
145.05008	0.6
147.04437	0.8
153.01834	4.4
157.06538	0.5
165.01851	2.5
169.06429	0.5
183.02928	1.3
213.05502	1.8
226.96530	0.7
231.06581	1.1
241.05127	1.4
258.05246	1.1
287.05524	100.0
288.05746	2.7
324.21249	0.5
328.06168	0.6
363.12689	0.5
469.04767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Homoorientin
Peak:m/z	Relative Intensity
51.29439	1.1
64.53649	1.0
66.70673	1.0
68.99815	1.3
69.69064	1.1
70.69113	2.8
70.69440	1.1
79.01856	3.1
81.03436	1.8
85.02882	1.8
93.07050	1.1
97.02978	1.5
109.02913	1.8
123.04514	1.6
135.04422	3.5
137.02348	14.8
137.03322	1.9
147.04370	1.0
161.02357	2.3
161.05875	1.1
163.03889	1.8
165.01866	4.4
177.01884	2.3
183.02937	1.4
199.04016	1.6
205.05019	1.3
217.04984	4.9
227.07018	2.1
229.04921	3.7
243.02934	1.8
243.06422	1.3
244.07263	1.7
259.06012	2.9
261.04022	3.2
271.06000	6.6
272.06830	8.3
277.39047	1.2
283.06088	1.8
287.05469	4.6
297.07748	1.6
299.05508	77.3
300.06296	33.0
300.09772	1.4
301.07016	3.2
311.05539	15.5
311.09039	1.9
313.07050	18.4
324.06207	2.7
325.07138	6.9
327.05130	3.7
329.06555	100.0
330.06873	2.6
337.07086	1.9
339.05017	2.0
339.08621	20.1
341.06512	6.4
343.08038	1.3
353.06580	22.5
354.07407	1.2
359.07553	6.4
365.06546	1.6
367.07913	6.9
380.09644	1.0
383.07587	17.0
395.07669	10.9
405.27902	1.0
413.08688	33.4
418.40137	1.3
431.09772	51.0
449.10825	79.2
450.11090	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	449.1081
Annotation	Isorhamnetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03441	1.9
59.77264	0.3
61.02930	2.2
66.89465	0.3
69.03420	1.0
70.37690	0.8
71.01353	0.7
71.04989	0.9
73.02924	15.1
74.03243	0.3
75.04478	2.0
85.02898	3.4
90.97631	0.3
91.05477	0.5
92.02631	0.7
93.03383	0.9
97.02859	0.5
101.75185	0.3
103.86414	0.3
115.03909	1.3
119.08594	3.2
120.08907	2.2
121.02853	1.2
126.03127	0.4
129.05525	0.4
130.06538	0.3
131.08578	0.4
133.65828	0.3
137.02376	1.1
137.05994	0.3
139.03928	0.8
145.06529	0.3
151.03882	0.6
153.00597	0.5
153.01833	9.3
165.01816	1.3
173.05786	0.3
177.05508	0.4
187.03703	0.3
194.86046	0.3
201.05502	0.9
217.04968	0.9
218.05757	0.7
222.37207	0.3
228.04193	1.4
229.04950	4.5
231.02901	0.5
231.06502	0.4
245.04512	1.3
246.05196	1.7
257.04456	2.9
260.03247	0.5
268.87955	0.3
273.04071	2.3
274.04767	4.4
284.03323	0.3
285.03964	4.9
287.02243	0.4
287.05545	7.6
299.05521	1.0
301.03250	0.3
302.04224	13.4
303.04999	11.8
303.07724	0.3
317.06577	100.0
318.06900	2.0
329.06485	0.7
353.06860	0.4
413.08566	0.4
431.29861	0.4
449.31317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Orientin
Peak:m/z	Relative Intensity
68.99788	0.9
70.06608	2.8
70.07015	1.9
81.63065	0.8
85.02899	1.8
98.21461	0.8
109.02869	1.1
109.33562	0.8
121.02881	1.8
135.04398	3.5
137.02335	6.5
141.01845	2.3
149.02309	2.4
153.01794	1.0
161.02347	2.8
163.03905	2.3
165.01839	16.6
167.03394	3.5
177.01822	1.7
179.03400	2.2
183.02823	4.4
183.79030	0.8
187.03879	1.6
189.01920	1.1
189.97455	0.8
195.02933	1.1
203.03400	1.2
205.05070	1.2
245.04506	1.3
250.56181	1.1
254.45274	0.8
271.06192	0.9
283.06116	7.8
286.04807	2.2
287.05563	6.5
295.05865	1.9
297.07556	7.5
299.05521	100.0
300.06192	9.8
311.05478	10.3
311.09137	2.6
313.06989	3.6
321.07498	3.1
323.05579	2.1
324.06293	2.3
325.03510	1.6
325.07040	21.0
329.06552	66.8
330.06940	1.2
337.07077	2.2
339.08640	14.7
349.06995	3.8
353.02194	1.8
353.06570	36.8
354.06882	1.7
365.06619	11.7
367.08008	2.1
377.06552	9.0
383.07639	19.4
395.07620	20.3
413.08710	18.3
431.09723	9.8
449.10333	3.8
452.82944	0.8
470.20874	0.9
473.02417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1969
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
53.03953	1.0
55.01866	1.2
57.03426	0.7
61.02921	1.2
69.03454	3.7
70.06591	0.8
70.11490	2.6
71.04985	0.8
71.44773	0.6
79.05496	0.8
81.03433	1.0
85.02914	5.1
87.04426	0.9
91.05487	1.4
95.01648	0.9
95.04973	1.4
97.02897	2.6
103.05468	1.4
107.04964	100.0
108.05305	1.3
109.02881	0.9
114.09148	0.7
115.05466	9.0
117.07014	0.8
119.04964	1.9
121.02869	2.0
121.06511	4.7
127.03895	1.4
131.04942	2.3
135.04517	0.6
137.05991	12.6
142.08623	0.6
143.04939	20.5
144.05614	0.9
145.06488	10.3
148.07646	0.8
151.07510	1.2
154.08604	0.7
160.05188	1.6
163.07553	1.4
164.07082	0.6
165.05574	0.7
175.07553	10.2
178.03250	1.1
178.08655	8.6
181.06444	1.0
181.10185	1.1
191.08609	2.7
192.21622	0.6
194.07304	2.8
195.08093	0.7
209.09634	8.4
219.08160	1.1
233.12050	1.8
237.09056	9.7
239.07120	1.0
240.07898	0.8
251.10779	0.9
251.13179	1.4
254.09416	0.9
269.11743	34.9
270.12115	0.7
284.12888	1.1
286.14398	51.9
287.05579	2.8
287.14606	1.5
334.07596	0.6
448.19720	87.8
449.20084	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	448.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01872	0.5
55.34842	0.4
57.03431	1.1
61.02917	1.5
67.05494	0.7
69.03436	3.3
69.34164	3.9
71.04995	0.4
73.02930	1.1
79.05479	1.4
81.03417	2.1
81.07058	0.5
85.02911	7.1
87.04478	1.1
91.05482	1.8
93.07053	0.5
95.04948	1.3
95.98435	0.4
97.02902	3.3
97.76572	0.4
99.04464	0.4
103.05473	0.8
107.04962	100.0
108.05321	1.1
109.02882	1.4
114.09173	1.0
115.05464	10.1
116.40222	0.5
117.07029	1.0
119.04959	1.5
121.02866	1.2
121.06510	5.1
126.53757	0.5
127.03915	1.7
131.04967	1.5
133.04980	0.6
133.06586	0.6
137.05988	12.9
137.27213	0.4
140.07091	1.3
143.04941	18.7
144.05722	0.7
144.14172	0.4
145.04922	1.1
145.05164	0.9
145.06490	10.9
147.04477	0.5
147.32826	0.5
148.07648	0.5
151.07550	1.2
155.06059	0.5
160.05307	0.7
160.07690	0.5
161.05971	0.7
163.06288	0.7
163.07593	1.7
164.07074	0.9
165.06972	0.5
175.07562	9.2
176.08299	0.5
178.08649	9.2
178.10115	0.8
181.06436	0.9
181.10162	0.7
182.08144	1.9
190.07841	0.6
191.08527	2.2
194.07281	2.6
206.08191	1.4
209.09604	6.5
211.11111	0.6
219.08072	1.5
225.05496	0.5
236.08389	0.5
237.06712	0.6
237.09122	11.0
238.09850	0.6
239.06950	1.2
240.07837	0.7
241.08629	0.5
251.10739	0.8
254.09416	1.5
269.11746	33.2
283.77890	0.6
284.12784	1.7
286.14395	47.7
287.05542	4.5
287.14536	0.8
402.79932	0.5
418.95328	0.5
430.18594	0.5
431.69485	0.5
448.19727	89.8
449.20013	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	448.1967
Annotation	Naamidine G
Peak:m/z	Relative Intensity
52.47688	0.8
53.03944	1.0
57.03425	1.4
61.02936	1.7
69.03434	4.4
71.05000	1.1
71.49407	0.9
73.02913	1.1
79.05496	1.0
81.03413	1.8
81.07088	0.8
85.02908	11.0
88.13013	0.6
91.05499	1.2
95.04988	1.5
97.02897	4.1
99.50731	0.7
103.05476	1.2
107.04963	100.0
109.02908	1.3
115.05463	13.4
117.07018	1.6
119.04930	1.1
121.02860	1.2
121.06503	6.3
127.03928	2.4
131.04971	1.7
136.07544	1.1
137.06006	12.8
137.07076	1.1
137.08150	0.7
140.07108	3.3
142.16699	0.6
143.04938	22.1
145.04971	1.6
145.06500	10.5
151.07559	1.5
152.07097	1.6
160.05202	1.5
161.06067	0.8
163.06209	2.2
163.07518	1.3
164.07182	0.9
174.88658	0.7
175.07600	9.1
178.08667	15.8
181.06581	1.1
181.10130	1.1
182.08072	4.0
191.08540	1.7
192.10268	1.3
194.07352	1.7
206.08144	2.2
209.09625	8.6
211.11272	0.7
219.08080	1.7
237.09116	9.6
238.09798	1.1
239.07030	1.6
254.09366	0.9
268.81873	0.8
269.11740	34.3
286.14392	34.6
301.18271	0.8
430.19485	0.9
448.19708	98.9
449.19992	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	447.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98278	1.3
55.05519	15.4
57.07082	12.7
67.05518	7.0
69.07079	8.4
69.75426	7.1
71.08647	10.9
79.05487	4.9
81.07066	9.6
83.04985	29.6
83.08621	7.9
85.10185	7.5
90.33533	1.4
91.05476	2.7
93.07066	10.5
95.08613	9.4
97.10159	5.8
99.08115	1.5
107.08604	5.2
109.06542	2.3
109.10168	4.6
111.08111	3.7
121.02838	1.6
121.06518	18.0
121.10164	2.0
123.08036	3.2
123.11758	2.3
125.09659	2.0
127.07574	6.6
127.93575	1.4
135.08041	8.4
135.11728	1.5
137.09557	3.9
139.07550	48.2
139.08633	2.9
140.68597	1.8
149.02350	5.9
149.09634	1.8
150.71779	1.4
153.09100	5.2
159.11526	1.6
163.07582	7.2
165.09120	3.4
167.07057	1.7
169.08572	2.2
181.08601	10.6
236.54698	1.5
237.14967	2.1
274.15543	1.8
334.67267	1.5
387.36856	1.6
447.38367	100.0
448.38647	2.7
466.05325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3838
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05517	40.4
57.07082	58.3
64.08685	2.3
67.05519	6.6
69.07077	71.6
69.46318	17.8
71.08638	43.5
79.05482	3.8
81.07067	17.3
83.01324	2.6
83.08624	57.6
85.10185	24.0
91.05489	5.5
93.07037	6.7
95.08611	13.4
97.10179	44.8
99.11736	2.5
105.07025	5.1
107.08615	18.2
109.10165	11.7
111.08066	3.6
111.11729	32.0
119.08578	6.4
121.06563	3.5
121.10164	4.2
123.11724	4.4
125.13266	11.6
131.08572	2.4
133.10027	2.9
135.08066	23.6
137.09637	14.5
138.06758	3.4
139.07576	24.4
139.14780	3.5
145.66655	2.2
149.02313	8.2
149.09645	13.1
151.07565	17.3
153.09108	13.4
161.13240	4.0
162.06750	2.6
163.07503	11.5
163.11189	9.3
165.09134	100.0
167.07082	4.3
169.08623	10.2
177.09177	13.6
179.10680	6.6
181.08585	27.1
187.11136	2.8
187.21060	2.4
191.10669	7.0
205.12236	12.0
206.00578	2.6
219.13885	2.6
248.69991	2.7
289.21756	2.6
429.37378	41.2
447.28369	3.0
447.38318	57.5
448.23245	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	447.3839
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03943	1.6
55.01867	1.9
55.05516	13.9
57.07075	10.8
58.28877	1.2
67.05505	3.7
69.07075	6.5
71.08638	8.7
73.78225	1.2
79.05490	2.8
79.05908	1.0
81.07040	5.9
83.04985	32.5
83.08633	5.9
84.25409	1.1
85.10176	3.9
91.05482	4.1
93.07060	12.0
95.08623	5.8
95.27604	1.2
97.10176	3.7
99.08091	2.5
105.07028	2.5
107.08614	2.9
109.06506	2.9
109.10163	2.2
111.08115	5.7
115.86305	1.1
119.08612	2.4
121.06523	25.8
121.10146	4.1
123.08085	1.8
127.07584	6.5
131.42694	1.5
133.10201	1.3
135.08066	9.7
137.09645	4.0
139.07549	57.0
145.10211	1.5
149.02382	6.6
149.09647	3.7
151.07571	2.2
151.11201	1.2
153.09117	7.6
159.11652	1.5
163.07585	9.6
163.11154	2.0
165.09142	2.9
167.07063	1.2
167.10681	2.3
169.08595	1.9
176.56111	1.1
177.09229	1.3
181.08614	13.6
191.10559	1.4
195.10233	1.7
205.12318	1.7
209.15352	1.5
223.13470	1.6
237.14896	1.4
251.16541	1.7
272.20633	1.4
307.22781	1.8
321.24347	1.9
429.37561	1.4
447.38370	100.0
448.38727	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	447.3836
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01860	0.8
55.05270	0.8
55.05515	11.7
57.06831	0.6
57.07084	8.9
67.05505	3.0
67.21861	0.5
69.03438	0.7
69.06724	0.6
69.07072	5.6
70.61332	0.7
70.61669	1.5
71.08640	5.3
72.77567	0.5
79.05495	2.0
81.07061	3.5
83.01335	1.1
83.04987	34.4
83.08615	4.1
85.02895	1.3
85.10182	2.1
91.05476	3.8
93.07051	10.8
95.04953	1.4
95.08598	5.0
97.06541	1.2
97.10170	2.7
99.08083	2.1
105.07013	1.6
107.08600	4.0
109.06547	3.6
109.10158	1.6
111.08093	4.7
111.11726	1.1
117.07032	1.7
119.08578	1.1
121.05654	1.1
121.06514	21.1
121.10138	2.4
123.08084	4.1
123.11727	0.6
125.06023	1.6
127.07567	8.7
131.08600	1.0
133.10127	1.2
135.07094	0.8
135.08060	8.9
135.11676	0.6
137.05992	1.1
137.09610	5.3
139.07549	58.6
145.10124	0.9
149.02313	1.3
149.09575	3.0
149.13284	0.8
151.07555	2.1
153.09132	6.2
157.10165	0.6
159.11671	1.7
161.09451	0.7
163.07556	10.0
163.11205	1.6
165.09161	2.9
167.10698	2.3
169.08621	1.7
173.13277	0.6
176.08260	0.6
177.09149	1.2
177.12773	1.4
179.10699	1.1
180.07735	1.2
181.08615	13.0
181.12248	1.3
187.14957	0.7
191.10690	1.4
191.14374	0.8
195.10120	1.4
195.13823	0.9
205.12292	0.5
205.15926	0.6
209.11757	1.0
209.15460	0.9
219.13702	0.6
223.13252	2.1
237.14793	1.4
249.34404	0.6
251.16463	2.2
265.18185	0.7
279.19592	0.9
293.21109	1.0
307.22662	0.8
321.24292	1.1
335.25772	0.8
336.61499	0.6
377.30545	0.8
387.36310	1.1
401.37714	0.6
429.37592	2.9
447.38358	100.0
448.38898	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	447.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57381	4.4
55.05509	23.7
57.07065	13.3
58.07604	4.4
64.80610	5.4
67.05515	36.2
69.07066	28.5
69.64672	5.6
70.79818	15.3
70.80221	6.2
71.08609	9.0
75.49090	5.1
79.05502	32.7
81.07059	72.6
83.08609	10.6
87.58823	4.7
91.05499	44.0
93.07049	61.0
95.04974	20.9
95.08610	50.8
97.10150	10.1
98.98453	13.7
105.07034	74.2
107.08591	49.6
109.06530	9.6
109.10164	25.7
115.05473	10.2
116.25507	5.8
117.07051	28.3
119.08587	89.7
121.10145	32.4
123.08060	9.4
123.11729	11.5
128.06215	9.5
129.07016	23.5
130.07820	7.0
131.08589	63.8
133.06526	7.1
133.10138	32.3
135.08054	17.1
135.11717	9.9
141.06996	12.6
142.07800	19.8
143.08585	45.9
144.09329	13.7
145.10126	99.7
147.08058	7.0
147.11687	35.6
149.13269	14.0
151.07541	24.4
155.00984	5.8
155.08542	14.3
156.09290	9.1
157.06538	6.2
157.10129	62.9
159.08083	14.4
159.11694	100.0
161.09605	11.8
161.13237	13.8
164.28029	5.3
165.06967	9.3
167.07025	26.2
167.08420	8.4
168.09380	10.2
169.10109	27.8
171.11745	32.7
173.09448	6.4
173.13303	25.4
175.11192	19.7
181.10095	18.0
183.04211	9.1
183.11693	30.5
185.13283	23.2
187.14738	13.9
189.09023	5.1
195.11740	15.3
197.13280	14.4
199.14864	36.7
201.12709	6.7
201.16408	68.8
203.17976	7.2
208.12500	4.9
209.13223	8.6
211.11021	8.1
213.12776	6.5
213.16499	7.0
215.14354	6.9
215.17963	12.2
217.12285	5.9
217.15904	22.4
223.14775	7.0
229.12228	9.0
231.13870	7.8
247.13261	11.6
249.16495	5.5
255.17503	6.6
307.23987	5.7
338.61575	5.3
401.28278	8.9
429.27618	17.2
429.33243	8.4
447.29044	95.3
447.34674	15.9
451.42761	5.4
468.76425	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	447.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.7
57.07079	2.5
67.05522	9.6
69.07072	10.5
70.13003	2.6
70.13409	5.5
79.05489	7.7
81.07059	19.7
83.08604	2.2
89.26142	1.6
91.05473	18.0
92.90205	1.8
93.07051	16.9
95.04969	4.2
95.08620	17.8
105.07034	33.3
107.08610	17.0
109.06549	2.9
109.10159	19.7
117.07019	8.3
119.08585	33.5
121.10159	13.9
123.08090	2.3
123.11705	13.9
128.06235	4.7
129.06996	5.9
130.07799	2.0
131.08583	15.7
133.10130	13.4
134.98221	2.3
135.08064	100.0
135.11720	4.8
141.06976	3.6
142.07785	6.1
143.08568	12.7
145.06483	4.0
145.10144	32.4
147.11688	33.6
149.09627	7.6
149.13315	2.2
155.08585	7.8
156.09351	4.2
157.10144	19.9
158.07256	9.2
159.08083	6.2
159.11700	28.6
160.08842	10.0
160.12543	1.9
161.09663	13.5
161.13258	13.9
165.06920	4.1
166.07805	3.8
167.08568	2.3
169.10197	6.0
171.08112	3.7
171.11703	11.7
172.08885	3.6
173.06168	2.1
173.09634	54.9
173.13287	8.7
175.11215	8.1
175.14815	3.2
179.08548	2.9
180.09160	2.1
181.10109	9.5
183.08047	5.2
183.11693	7.5
184.08888	13.8
185.09567	10.1
185.13240	8.0
187.11230	3.5
187.14740	2.2
195.11678	4.1
197.13293	3.5
199.11188	33.9
199.14857	6.0
201.09077	3.1
201.12738	2.3
201.16434	11.9
203.17966	83.6
204.18326	2.4
207.08083	2.0
209.09653	10.2
209.13162	2.7
211.14787	2.0
212.08356	6.8
213.12932	2.3
213.16412	6.6
215.18021	13.3
217.12183	2.4
217.15984	4.1
223.14883	2.8
227.10654	26.8
227.17899	3.6
229.08549	4.2
231.10147	3.0
245.11722	40.7
401.28381	7.2
429.28271	8.9
447.29199	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.8
56.77199	1.7
56.91446	1.5
57.03437	1.8
57.07087	7.7
65.03941	2.1
67.05516	10.1
69.07061	5.1
71.08624	5.5
71.33009	2.6
75.47565	1.4
79.05495	10.1
81.07064	19.3
83.08617	1.8
91.05477	12.3
93.07055	10.9
95.01309	1.9
95.04974	2.3
95.08621	17.1
98.20947	2.2
99.00826	9.9
99.04530	2.3
101.75311	1.6
103.57631	1.6
104.76302	1.5
105.07043	18.2
107.08601	18.4
109.06470	2.4
109.10145	13.7
113.02400	3.2
115.05445	2.1
117.07005	7.5
119.08575	15.5
121.06526	3.7
121.10144	9.4
123.11694	4.0
128.06209	3.9
129.07008	7.2
130.07771	1.8
131.08585	16.0
133.10172	8.7
135.08063	100.0
135.11632	1.8
136.55357	1.5
141.06966	3.2
142.07779	5.2
143.08563	10.7
145.06461	5.6
145.10127	26.1
147.11703	24.8
149.06038	2.0
149.09604	6.5
149.13359	3.2
151.07515	2.1
153.05479	3.1
153.06808	1.7
155.08578	7.4
156.09355	3.7
157.10144	12.3
158.07291	6.5
159.08035	6.7
159.11693	27.4
160.08836	10.1
161.09657	8.1
161.13228	4.9
163.07608	1.9
165.07008	3.6
166.07785	4.8
168.09311	1.8
169.06465	3.1
169.10107	4.9
171.08035	5.2
171.11734	8.9
171.12936	1.7
173.09634	57.0
173.13228	5.1
175.11185	5.2
181.04955	13.1
181.10088	6.4
183.08118	3.5
183.11632	7.7
184.08852	14.3
185.09587	4.4
185.13249	5.1
187.11165	3.1
187.14804	4.4
189.16310	2.1
191.10646	2.4
195.03844	1.9
195.06541	29.3
197.09589	2.3
197.13358	3.1
199.11189	42.4
199.14844	6.9
201.12715	3.5
201.16350	6.9
203.17967	10.1
209.07945	14.8
209.09869	7.6
211.14796	2.0
212.08353	5.7
213.12622	2.8
213.16470	5.7
215.18130	2.2
217.08572	2.2
217.15874	6.1
223.09630	14.4
227.10690	25.0
227.14209	2.2
229.12144	2.7
231.13806	3.8
237.11165	10.5
239.17859	2.8
245.11725	36.4
245.55147	1.8
247.14854	1.8
249.15923	1.9
251.12830	7.2
265.14404	3.8
293.19302	1.8
298.71332	1.8
367.22931	2.0
375.15729	2.1
389.17493	3.6
390.18481	1.9
391.23145	2.3
401.28281	3.9
403.19260	2.6
404.19824	2.8
419.22238	6.3
429.28003	8.4
431.18793	1.7
432.19186	3.1
447.21594	28.2
447.28787	28.2
447.34653	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05517	14.0
57.03434	3.6
57.07079	5.3
58.59728	2.4
65.03925	3.4
65.77020	2.3
67.05511	23.8
69.07063	19.3
70.86369	6.6
79.05498	21.8
81.07064	50.0
83.04983	2.4
83.08618	10.1
91.05483	34.4
93.07047	40.6
95.04965	6.7
95.08610	40.6
97.10177	4.4
98.98473	5.7
105.07044	57.7
107.08604	51.1
109.06525	5.6
109.10165	26.9
112.99995	10.9
115.05457	3.9
117.07032	23.2
119.08592	47.5
121.10154	26.8
123.04414	4.4
123.11679	6.9
128.06236	7.7
129.07007	14.6
130.07774	2.7
131.08586	55.7
133.10138	36.3
134.10446	2.7
135.08063	8.1
135.11711	25.2
137.00000	4.2
138.69730	2.2
141.06984	7.0
142.07780	8.5
143.08554	30.9
144.09291	5.5
145.06499	4.7
145.10138	61.5
147.08064	6.8
147.11703	29.0
149.13266	4.0
153.07048	3.0
155.00954	2.9
155.08568	16.3
156.09378	4.7
156.74225	2.3
157.10132	40.6
158.10910	5.6
159.08069	5.0
159.11713	64.8
161.09668	2.7
161.13268	12.9
165.07059	6.5
166.07797	5.9
167.08650	5.2
168.09349	3.8
169.02640	3.8
169.10132	12.9
170.10947	3.0
171.08116	3.8
171.11717	18.4
172.12518	2.5
172.84702	2.4
173.09624	7.4
173.13283	34.9
175.11183	7.7
175.14821	6.4
179.08572	3.9
180.09398	4.6
181.10112	26.5
183.11751	11.8
185.09653	3.2
185.13339	13.7
186.14082	2.6
187.11226	3.5
187.14828	13.9
189.16389	8.1
192.09529	2.7
193.10127	6.1
195.11716	9.8
197.13272	10.0
199.11237	8.3
199.14861	13.3
201.09207	3.7
201.16406	18.8
203.14340	2.4
203.17926	13.8
207.11806	4.3
209.09558	4.0
209.13251	6.9
211.11168	3.3
211.14821	5.5
213.12820	3.6
213.16342	4.9
215.10645	2.7
215.14439	4.9
215.17972	96.6
217.15851	2.9
221.13297	3.9
223.14865	2.6
225.12776	3.2
225.16443	3.3
227.10745	3.5
227.17923	6.0
229.12283	7.8
232.12387	2.9
233.13287	3.2
237.16475	2.8
245.11699	11.8
249.16302	3.5
255.14034	2.8
259.13406	9.1
261.22006	2.7
263.18033	2.9
265.75183	2.5
295.18842	3.7
297.18317	2.9
299.16595	3.2
303.20917	2.2
311.25934	3.0
333.75711	2.5
335.25671	4.0
339.19077	2.9
343.54880	2.3
365.21313	4.0
389.24518	3.2
401.28403	6.3
429.28036	18.6
447.29086	100.0
448.29477	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	447.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
54.85703	2.5
55.01871	3.7
55.05516	13.9
57.07085	5.8
65.03962	3.6
67.05508	21.8
69.07074	42.3
70.73581	6.2
79.05495	29.7
81.07060	100.0
83.08633	4.6
91.05479	36.9
91.05994	2.9
93.07046	71.8
95.04982	7.1
95.08606	44.8
97.06553	5.6
97.10194	4.8
103.05495	3.1
105.04535	2.5
105.07030	48.4
107.04963	4.6
107.08599	79.0
109.06544	5.2
109.10166	23.4
112.99970	2.4
117.07023	20.3
117.78934	2.5
119.08586	48.3
121.06551	10.8
121.10151	45.9
121.13188	2.7
123.08115	4.7
123.11698	22.0
128.06264	8.5
129.07016	16.4
131.04955	3.9
131.08563	28.7
133.06548	6.5
133.10118	31.8
135.08095	11.3
135.11707	90.1
137.13242	12.7
141.07033	7.2
142.07825	8.2
143.08559	28.8
145.06544	3.7
145.10127	32.2
147.08073	6.6
147.11671	26.1
149.13286	13.2
153.07036	4.4
155.08575	20.4
156.09366	5.3
157.06514	5.5
157.10144	33.6
159.08063	7.7
159.11696	27.3
161.09615	5.9
161.13300	8.1
165.07042	6.0
166.07852	7.1
167.08589	9.9
168.09358	4.4
169.10101	17.3
171.08093	7.7
171.11682	22.1
173.09654	18.8
173.13312	11.3
174.10339	2.9
175.07545	2.8
175.11198	5.0
175.14844	4.8
178.07858	4.2
181.10109	18.1
183.11681	14.5
184.08885	4.6
185.09691	8.4
185.13220	6.6
187.11269	5.2
187.14879	4.8
189.16429	8.8
193.10194	6.7
195.11694	12.6
197.09619	3.8
197.13309	9.0
199.11176	20.7
199.14882	10.0
201.09225	5.8
201.16423	7.9
203.17984	32.0
205.10132	3.1
207.11766	7.2
209.09616	11.0
209.11485	3.1
209.13329	10.2
211.11211	7.9
211.14899	7.6
213.12799	4.1
215.18036	4.5
218.11185	2.8
219.11826	5.9
220.12411	3.4
221.13269	9.2
223.11205	4.8
223.14777	3.2
225.12761	5.7
227.10730	8.4
229.10240	4.7
229.12413	5.0
231.11739	3.3
233.13327	4.3
235.14825	7.2
245.11668	47.3
247.14890	5.4
249.16414	5.0
251.14519	4.0
255.13922	4.8
261.12802	3.2
263.14423	3.5
265.15872	10.3
267.13962	6.0
269.11774	11.1
281.15387	5.4
283.13330	8.8
285.14920	6.6
293.15503	4.1
295.17166	3.4
299.16501	10.3
305.15564	3.2
311.16327	14.4
313.18088	7.4
325.18109	7.5
339.19757	5.7
347.20105	3.4
351.19696	4.2
363.19482	4.8
365.21179	23.7
377.21387	4.8
391.22610	4.7
393.56793	3.2
401.28671	4.0
405.24274	11.8
419.25766	5.2
429.27997	12.3
447.29028	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70267	0.9
53.03957	1.3
54.67980	1.0
55.05513	6.0
57.07067	4.6
59.92791	1.1
65.03938	1.2
67.05513	9.5
69.07073	6.6
71.01105	3.0
72.17779	1.0
78.78472	1.0
79.05499	9.7
81.07059	14.8
83.08610	5.7
91.05482	16.3
92.14265	1.2
93.07048	9.8
95.04978	2.3
95.08601	11.0
103.05448	1.6
105.07034	30.4
107.07920	1.0
107.08599	16.7
109.06528	2.2
109.10181	5.7
115.05508	3.4
117.07026	24.2
119.08591	19.2
121.06518	2.3
121.10155	7.9
123.11647	1.4
124.09865	1.2
128.06241	2.2
129.07002	15.5
130.07779	3.2
131.08578	34.0
133.06525	2.4
133.10141	17.2
135.08073	3.5
135.11732	3.1
141.07002	3.2
142.07785	5.7
143.08554	15.8
144.09352	4.7
145.10129	32.4
147.08122	2.2
147.11702	12.9
149.09544	1.2
149.13266	1.6
151.07487	1.5
153.06950	1.9
154.45958	1.3
155.08549	5.7
156.09399	3.0
157.10136	15.8
159.08073	2.7
159.11702	65.2
161.09599	2.5
161.13290	2.8
164.85623	1.1
167.08563	2.7
167.36549	1.2
169.10104	6.7
170.10950	1.2
171.08070	1.9
171.11685	12.1
172.12459	2.2
173.09662	2.5
173.13268	17.5
173.48885	1.2
175.14830	1.5
179.08562	1.8
181.10168	5.3
183.11700	5.0
184.08864	1.3
185.09615	3.3
185.13344	8.3
187.11160	2.9
187.14774	7.6
189.16388	2.2
193.10162	1.7
195.11714	3.5
197.09595	2.0
197.13313	2.6
199.11145	4.2
199.14812	12.1
201.16411	17.1
203.14287	1.3
203.17996	7.1
207.11829	1.6
209.13483	1.5
211.11250	2.5
213.12831	3.1
213.16452	4.4
215.17960	100.0
216.18289	2.1
221.13287	3.7
223.11122	1.5
223.14972	2.0
225.16409	2.2
227.10640	2.2
227.17873	5.6
229.12312	3.8
231.13785	1.5
235.14818	1.4
241.12260	3.9
245.11656	6.3
259.13284	11.7
277.19739	1.3
295.20343	2.3
355.20441	1.8
373.21664	3.6
391.22610	3.6
401.28815	1.6
411.26620	2.2
429.28043	14.1
447.28970	44.6
448.29123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03345	1.3
51.39336	1.6
53.03958	2.4
55.05522	4.5
56.08426	1.6
56.70041	1.2
57.07086	2.1
67.05508	11.7
69.03428	3.3
69.07072	7.8
71.17223	3.4
79.05495	14.6
81.07069	20.5
81.48731	1.6
83.04956	1.6
83.08626	3.2
84.55293	1.7
91.05490	22.5
93.07040	15.7
95.04980	6.6
95.08620	25.5
99.08121	1.5
103.05450	1.6
105.07037	50.8
107.08604	32.9
109.06519	3.5
109.10166	16.0
115.05419	2.8
117.07015	14.7
119.04951	2.4
119.08590	33.3
121.06540	5.4
121.10146	19.0
123.08126	2.3
123.11704	10.8
125.09670	2.3
128.06270	4.5
129.07016	13.5
130.07776	2.2
131.08578	24.7
133.10138	32.8
135.08049	25.7
135.11685	7.1
137.06078	1.7
141.07048	5.0
142.07787	5.1
143.08577	19.8
144.09341	2.5
145.06493	2.2
145.10144	32.2
147.08083	5.6
147.11694	39.3
149.02309	1.9
149.09651	3.0
149.13310	5.4
151.07584	2.1
153.07031	2.3
154.07690	1.8
155.08582	11.8
156.09369	4.8
157.06627	1.8
157.10144	23.2
158.07266	2.0
158.10788	1.4
159.08121	7.7
159.11707	29.6
160.08855	3.1
161.09648	4.1
161.13266	16.0
163.07649	1.9
165.07063	3.7
166.07829	3.4
167.08591	3.0
168.09373	2.8
169.10135	8.5
171.08061	3.9
171.11697	22.6
173.09644	16.5
173.13264	13.2
175.11276	3.5
175.14923	4.9
179.08620	2.1
181.10139	11.3
183.08046	4.0
183.11760	8.1
184.08896	5.0
185.09715	4.1
185.13275	7.8
187.11220	5.2
187.14885	7.9
189.16454	6.5
193.10187	2.0
195.08060	1.9
195.11809	5.2
197.09682	2.5
197.13258	8.9
199.11221	20.7
199.14870	9.1
201.12801	2.8
201.16454	15.0
203.17969	100.0
204.18326	2.2
207.11670	2.8
209.09726	3.9
209.13251	3.1
211.11298	1.9
211.14873	2.9
213.12894	3.0
213.16502	4.6
215.10663	1.5
215.17961	20.3
217.12169	2.7
221.13264	2.5
223.14725	2.3
225.12733	2.7
225.16483	2.4
227.10658	11.2
227.18045	3.8
229.12358	4.5
237.16360	2.4
241.12242	2.6
245.11710	49.2
245.13960	2.7
249.16385	2.2
259.13315	11.5
277.19485	1.8
294.80136	1.6
321.18689	4.2
339.19647	4.2
342.90863	1.4
365.21152	3.0
387.23224	2.9
391.22897	3.5
392.65378	1.7
401.28610	2.8
405.24307	2.1
419.25900	3.8
429.28143	10.7
447.29080	79.8
448.29712	4.4
457.53400	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	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.7
55.01870	12.2
55.05519	24.4
55.05739	4.9
57.03422	6.6
57.07072	5.7
58.73574	3.3
65.03926	6.1
67.05508	64.2
68.52918	3.5
69.03438	28.0
69.07079	26.3
70.44811	7.4
71.04967	7.2
73.73294	3.2
79.05496	52.6
81.03404	15.1
81.07066	72.0
83.04963	14.7
83.08617	12.6
85.02871	7.7
91.05484	60.8
93.07040	62.1
95.04960	24.1
95.08608	51.4
97.02909	21.3
97.06548	5.6
97.10133	5.9
99.08097	3.9
103.05477	3.6
105.07035	73.1
107.04923	10.7
107.07971	4.7
107.08605	48.5
109.06492	9.3
109.10140	21.4
111.04456	8.9
111.08094	4.6
115.05449	6.1
117.07024	30.1
119.04900	4.9
119.08595	64.1
121.06509	8.2
121.10143	33.5
123.04403	10.4
123.08056	9.8
123.11717	8.8
125.05952	3.2
128.06187	12.9
129.07021	31.1
130.07791	3.3
131.08585	49.7
133.06508	9.0
133.10132	45.6
135.04446	7.1
135.08038	12.0
135.11720	17.3
137.05966	6.5
137.09596	5.6
139.03859	4.8
141.06981	12.7
142.07829	17.2
143.08545	38.8
145.06465	11.8
145.10121	44.4
147.08047	14.7
147.11710	32.9
149.09619	7.6
149.13286	11.1
151.03917	26.9
153.05513	9.6
155.08585	21.1
156.09300	5.3
157.06497	4.4
157.10127	36.9
159.08041	15.3
159.11714	43.9
161.05855	5.1
161.09619	9.2
161.13261	19.9
163.07523	3.8
163.11211	4.3
163.14825	4.8
165.06976	5.3
166.18758	3.2
167.08556	10.2
169.04941	7.4
169.10136	22.2
171.06602	3.7
171.08035	6.5
171.11694	25.1
173.05989	4.8
173.09648	14.6
173.13310	19.1
175.11151	6.8
175.14833	6.6
179.08607	6.3
181.10133	16.9
182.10954	5.3
183.08044	6.4
183.11665	27.7
185.09694	4.4
185.13347	19.6
187.07562	4.1
187.11246	8.9
187.14828	11.3
189.09085	3.5
189.12660	4.8
193.10229	5.9
195.11668	10.0
197.09535	5.5
197.13277	17.5
199.11177	10.3
199.14851	18.1
201.09074	3.7
201.12767	6.5
201.16351	8.1
203.10689	4.0
203.17923	14.6
207.11703	5.9
209.13268	6.6
211.11188	12.3
211.14774	8.7
213.12679	6.5
213.16399	5.7
215.14345	5.0
217.12112	4.6
219.11823	4.5
221.13322	5.8
223.11208	5.4
223.14807	7.5
225.12784	6.3
227.10695	6.2
227.14301	4.2
229.12123	5.4
233.13203	3.9
235.14761	4.7
237.12628	4.4
237.16389	4.4
241.15805	3.7
243.13812	5.5
245.11653	5.9
259.20541	7.8
285.22083	4.3
301.21677	4.0
315.23248	5.0
327.23230	7.9
339.23105	4.0
343.22684	6.0
357.24057	4.9
365.21100	9.2
369.24265	9.8
383.26138	6.0
387.25388	4.1
393.24063	15.8
401.28000	6.6
411.25293	32.1
419.28735	4.9
429.26624	47.5
443.94305	3.4
447.28229	100.0
448.28094	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	446.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10620	0.4
55.05520	2.0
55.05760	0.4
57.07069	0.7
67.05511	2.9
69.07076	3.5
71.34332	0.5
75.81367	0.4
80.64446	0.4
81.07044	2.3
83.04997	0.6
83.08611	1.2
87.61323	0.4
91.05486	1.1
93.07040	1.1
95.08617	1.9
97.10194	0.7
107.08581	0.8
109.10159	5.6
119.08590	2.4
121.05655	0.7
121.06509	9.0
122.07286	1.8
123.11677	0.7
135.08075	1.4
135.65169	0.4
136.08839	12.7
137.09628	14.1
138.09950	0.5
149.06039	0.5
149.09583	2.3
150.09995	0.5
151.07539	0.7
152.08295	1.0
163.11201	1.0
164.08345	28.1
165.09120	100.0
166.09479	7.3
173.09587	0.5
175.11093	0.5
177.09076	2.0
178.09700	1.0
187.11110	0.9
189.09062	1.4
190.10002	0.9
191.10483	0.8
203.10797	0.6
205.12260	7.6
206.12666	0.9
359.12811	0.5
373.14215	1.7
374.15350	1.2
375.16150	0.5
386.15222	0.9
387.15970	2.7
388.16776	3.4
389.17642	3.0
401.17523	1.1
402.18069	1.9
403.19067	5.6
404.19922	1.0
415.15179	1.8
416.15869	4.1
417.16202	4.6
417.21259	1.4
418.21768	2.7
419.22571	2.4
428.36472	8.3
430.17215	2.1
431.18320	10.6
432.18881	0.6
445.19733	1.0
446.20618	56.1
446.37552	58.8
447.21646	8.6
447.37857	2.3
457.73740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01859	6.4
55.05513	22.4
57.03424	4.7
57.07080	3.3
58.32436	1.7
65.03942	3.4
67.05508	39.4
69.03435	15.3
69.07072	20.3
71.01356	2.9
71.03111	5.0
71.04970	4.9
79.05494	36.1
81.03409	17.4
81.07056	46.1
83.04979	11.5
83.08603	8.2
85.02888	4.7
85.06509	2.9
89.52418	1.8
91.05483	38.4
93.07049	44.6
95.04973	16.6
95.08064	2.1
95.08611	32.5
96.11646	1.7
97.02911	13.4
97.06509	5.8
97.10161	4.3
98.86546	1.9
99.04455	5.8
103.05497	2.9
105.07029	57.7
107.04944	8.2
107.08597	28.6
109.02840	3.8
109.06508	9.0
109.10157	14.3
111.04433	8.5
115.05463	6.7
117.07034	25.0
119.08584	45.3
121.06503	7.6
121.10144	18.0
123.04415	8.5
123.08096	4.1
123.11677	5.7
127.03886	3.6
128.06207	10.7
129.07014	22.2
130.07797	2.5
131.04922	2.4
131.08571	40.6
133.06485	7.9
133.10135	27.7
135.04419	3.9
135.08028	5.8
135.11699	10.2
137.06001	3.8
137.09579	3.6
138.64711	1.9
139.03847	4.3
141.06976	10.8
142.07811	10.4
143.08562	29.5
144.09323	2.7
145.06465	13.4
145.10126	40.2
147.08060	9.3
147.11684	19.9
149.02339	3.6
149.09656	3.8
149.13246	6.5
151.03889	7.8
151.11076	2.6
153.05444	6.7
153.06958	2.4
154.07765	3.1
155.08537	15.9
156.09308	4.7
157.06477	4.3
157.10146	28.0
159.08051	12.9
159.11707	33.3
161.05966	2.6
161.09590	9.4
161.13275	13.2
163.07556	3.5
163.11148	2.9
165.06952	2.9
165.12785	2.1
166.07912	2.4
167.08522	6.0
168.09329	4.0
169.10138	16.9
171.06635	3.0
171.08032	7.5
171.11679	17.5
173.05992	2.6
173.09673	10.6
173.13284	12.1
175.11145	8.5
175.14815	5.8
177.09137	1.9
177.12717	4.1
179.08472	3.4
180.09349	2.2
181.10184	10.2
182.10979	2.4
183.08076	5.0
183.11694	14.4
185.09598	6.4
185.13277	15.7
187.07561	2.5
187.11169	7.8
187.14825	8.5
189.12769	6.4
189.16422	2.2
193.10152	4.2
195.11623	11.1
197.09584	4.6
197.13298	9.2
199.11186	5.9
199.14815	14.2
201.12746	5.9
201.16382	6.1
203.10641	2.7
203.14349	3.7
209.13257	6.2
211.11168	5.3
211.14816	7.8
213.09058	2.9
213.12628	4.1
213.16400	5.7
215.14313	5.6
217.15860	7.8
221.13266	6.0
223.11006	2.2
223.14865	3.4
225.12677	3.1
227.10570	2.8
227.14233	3.6
227.17889	3.7
229.12259	5.3
229.15974	2.2
231.13739	2.7
235.14815	2.9
237.16422	3.7
239.17993	2.8
243.13809	2.6
245.11632	2.6
249.16444	1.9
251.18002	2.2
253.15913	3.8
259.20541	5.0
261.22256	5.5
267.13718	3.1
269.15311	2.7
277.21661	3.2
283.16983	3.1
283.20346	2.9
285.22122	4.1
299.23767	3.3
309.22104	2.2
313.21619	3.4
315.23233	9.3
325.21704	2.2
327.23221	13.0
331.22961	3.2
339.23096	4.6
341.24716	3.6
351.23126	3.0
357.24380	4.3
365.24698	4.0
369.24301	6.6
383.25845	7.4
387.25336	5.3
393.24228	12.1
401.27625	7.1
411.25323	22.4
419.28555	4.0
429.26544	38.2
447.27780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
Peak:m/z	Relative Intensity
54.85096	5.7
55.05514	43.0
57.07080	41.4
66.20679	5.1
67.05501	19.6
69.07083	60.9
71.08640	30.0
71.55284	9.2
79.05504	20.9
81.07059	37.0
83.08627	38.3
85.10190	14.6
91.05492	25.5
93.07052	18.6
95.08600	41.1
96.47329	6.1
97.10176	25.9
98.56789	6.1
101.09971	5.4
105.07078	14.8
107.08614	24.4
109.06554	8.5
109.10169	21.8
111.11711	16.3
117.07046	10.6
117.77274	6.9
118.53597	5.7
119.08590	26.0
121.10136	13.5
123.08102	9.4
123.11747	8.3
131.08569	12.9
131.75137	5.1
133.10158	15.0
135.08081	30.8
135.11678	5.7
137.13318	6.0
139.07552	32.9
143.08620	11.3
145.10165	14.3
147.08066	13.8
147.11705	10.4
149.09615	23.8
149.13249	9.3
151.07503	8.0
157.10178	17.3
161.09642	15.9
163.07585	24.5
163.11183	13.3
163.14844	9.1
165.09138	100.0
171.11702	18.7
175.07558	19.2
175.11195	6.9
177.09116	25.8
185.13310	11.4
189.09137	13.6
189.12726	9.8
191.10701	8.2
199.11235	8.4
203.10680	31.8
203.14316	8.2
205.12244	17.4
213.12726	7.3
215.14360	7.7
217.12206	15.8
231.13754	15.1
248.26335	6.7
278.53595	6.5
307.29822	8.3
347.46362	6.6
381.35266	14.8
393.63910	6.2
399.36340	27.6
409.34766	9.0
427.35709	37.2
445.36929	42.1
446.37857	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.3
55.05514	51.1
55.62070	3.3
56.87197	3.3
57.06823	5.7
57.07084	73.2
67.05512	27.4
69.07073	96.5
70.80859	7.0
71.08645	48.1
79.05499	23.2
79.64838	3.4
81.07062	67.1
83.01337	9.9
83.04976	5.4
83.08624	51.4
85.10175	15.8
91.05502	13.0
93.07053	32.2
95.04970	5.9
95.08613	46.0
97.02897	4.0
97.06543	6.9
97.10169	40.2
99.04463	4.7
99.11670	3.5
105.07028	9.1
107.08599	29.5
109.06542	31.5
109.10170	23.9
111.08094	14.0
111.11701	23.3
117.07039	3.4
119.08586	7.0
121.06517	9.2
121.10156	15.6
123.08066	14.3
123.11674	17.1
124.05269	6.3
125.06032	4.2
125.13301	4.7
131.08575	4.0
133.10161	8.7
135.08086	13.3
135.11688	10.3
137.05992	61.5
137.09616	4.6
137.13287	5.4
139.07549	100.0
145.10173	8.4
147.08105	3.6
147.11668	4.1
149.09637	15.0
149.13277	14.2
151.07576	31.1
153.09134	5.3
156.09499	4.1
159.11723	3.6
161.09697	6.7
161.13271	5.4
163.11235	6.1
163.14850	13.6
165.05505	11.7
165.09123	30.6
167.07048	4.7
169.08696	4.0
171.11736	4.7
175.11212	13.0
177.09117	13.0
177.16327	6.9
179.07089	4.1
179.10684	7.5
187.11346	4.0
189.12755	13.9
193.08624	17.2
193.12265	9.4
203.10713	6.8
203.14372	5.6
207.13910	8.9
217.12210	6.4
221.15390	6.3
231.13834	4.2
235.16914	4.7
249.18550	4.9
263.20157	6.8
277.21741	3.8
279.34940	4.0
289.28873	15.6
291.19470	4.9
291.23163	4.1
307.29849	19.6
347.29376	4.1
384.89935	3.4
385.34705	12.0
399.36176	13.9
403.35794	13.7
417.37131	24.9
427.35638	13.6
445.36844	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96994	3.7
54.98759	3.0
55.05515	29.5
57.07080	23.8
59.52910	3.3
64.02926	3.0
67.05497	21.5
69.07076	52.4
70.85830	7.6
71.08634	12.7
79.05492	11.7
81.07062	50.7
83.08635	25.3
85.10182	10.2
86.56282	3.1
91.05464	17.7
93.07065	26.4
95.04986	5.0
95.08612	45.7
97.06507	3.6
97.10178	16.4
105.07035	26.5
107.05022	3.2
107.08603	29.3
109.06496	6.4
109.10151	28.0
111.08117	4.0
111.11713	10.7
117.07044	8.5
119.08563	21.3
121.06524	3.7
121.10149	18.2
123.11713	12.1
125.13198	3.3
129.07005	4.5
131.08575	18.6
133.10162	18.9
135.11705	15.3
137.09639	9.5
137.13181	5.3
143.08591	8.3
145.10130	21.6
147.11684	15.1
149.09610	17.6
149.12038	3.6
149.13251	11.0
151.07480	5.3
155.08527	6.3
157.10153	7.3
159.11726	17.2
161.13248	9.7
163.07533	4.2
163.11186	7.2
163.14873	5.5
165.09125	100.0
167.07124	4.0
169.08760	3.8
169.10155	3.3
171.11661	8.8
173.09631	5.2
173.13272	10.7
175.11209	6.3
177.09122	13.0
177.16353	3.8
179.10573	4.0
185.13280	6.4
187.14890	5.0
189.12805	4.8
189.16496	4.1
191.10663	10.0
191.14433	3.9
199.14833	5.8
203.10686	9.7
203.14354	6.1
203.17873	4.8
205.12254	13.2
213.16440	5.5
215.28015	3.5
216.11322	3.3
217.12282	4.2
219.13770	4.3
233.22694	4.5
245.11784	5.1
255.17439	3.3
273.18719	3.4
287.20126	5.0
310.32175	3.6
319.65182	3.6
343.33615	12.0
345.28156	3.5
385.34650	5.8
427.35745	25.0
445.20203	8.6
445.27368	8.1
445.36768	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	445.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
63.42382	1.5
70.02535	4.4
70.02943	3.8
70.06590	2.4
73.04765	5.9
79.27893	1.6
85.02915	4.6
89.06039	5.5
91.05848	13.7
94.89497	1.6
107.80452	1.8
116.65565	1.7
121.13846	1.6
133.08646	4.6
139.03923	5.3
140.04167	1.7
148.05194	3.2
151.07594	2.6
156.04468	2.0
166.06294	2.6
167.05566	8.4
167.07080	6.7
181.08621	23.1
189.07336	3.0
190.06317	2.2
192.07779	2.4
195.06439	2.9
204.07964	2.4
205.08630	3.1
208.10619	2.4
210.11542	2.1
219.08293	1.9
219.10210	6.2
221.08049	2.7
225.04318	3.4
235.07727	2.2
240.07874	2.1
249.09102	2.9
251.07039	3.3
254.09431	2.4
261.09030	3.1
262.06058	2.1
263.07114	3.2
264.07727	4.1
265.08627	5.4
266.09335	2.5
267.10168	5.1
269.08084	2.8
270.08829	2.9
271.09641	2.9
277.08463	3.9
278.09418	2.3
279.06720	2.7
279.10144	5.0
280.07458	3.1
280.11145	4.5
281.08124	5.8
281.11615	3.4
282.08728	3.6
282.11508	5.4
283.12015	8.8
283.17630	3.8
284.10532	5.3
285.07895	2.1
285.11188	3.9
291.10196	4.5
293.08118	7.2
294.08743	3.4
295.09616	12.0
296.10321	3.3
297.07928	3.4
297.11276	6.2
298.08194	2.5
298.11707	2.1
299.09326	5.3
300.09976	3.9
301.03638	3.6
305.08163	2.8
306.08670	3.2
307.06342	2.6
307.09683	6.8
308.07047	2.5
308.10522	8.0
309.07669	3.6
309.11295	6.0
310.08539	4.5
310.12027	12.5
311.09177	12.5
311.12476	3.2
312.09833	3.4
313.10800	4.0
314.11493	2.3
315.12128	3.1
319.09863	2.4
321.07654	2.4
321.11182	7.2
322.11777	2.3
323.09140	9.9
323.12891	5.5
324.09720	3.9
325.07278	3.3
325.10764	11.7
326.08185	2.2
326.11526	11.1
327.12296	5.6
328.13150	3.1
335.09146	3.8
335.12735	2.7
337.10687	5.6
338.11581	10.6
339.08987	9.2
339.12061	10.1
340.09348	3.5
340.13110	7.7
341.10175	6.1
341.13898	14.8
343.11792	7.9
350.11545	3.6
351.12347	7.6
353.10138	2.6
353.13895	10.6
354.10876	6.2
354.14685	8.1
355.11591	15.2
355.15530	2.7
356.12521	7.3
356.16397	2.8
357.13345	4.9
358.13980	12.1
359.02979	8.4
359.14661	3.9
363.12479	2.7
365.13895	21.5
366.14722	6.9
368.16226	3.7
369.13373	47.4
370.14029	14.0
371.14880	13.9
372.15701	4.7
378.14551	9.2
381.13327	4.9
383.15005	2.4
384.15729	100.0
385.16425	32.9
386.17255	20.3
387.18155	8.6
395.15100	3.5
396.15607	9.9
397.16498	5.0
399.18127	11.0
409.16425	5.9
427.17596	64.7
445.07343	3.4
445.16248	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	445.1109
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
61.41195	3.0
69.92778	22.0
152.70381	3.5
311.72079	3.7
400.57349	4.0
410.51266	4.1
445.11151	100.0
445.17639	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	445.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13861	3.7
56.96564	7.1
57.03445	6.3
61.02923	11.5
69.03096	5.5
69.03426	28.6
73.02914	11.6
73.04754	5.2
81.03412	11.8
84.93341	3.6
85.02911	49.8
86.06075	8.2
87.86575	3.4
91.05841	8.2
91.68365	4.0
97.02889	23.9
98.97586	18.9
99.04453	5.6
101.00887	6.9
109.02914	6.6
110.97607	4.1
116.98601	5.3
119.01903	16.5
127.03948	29.3
131.01839	8.2
137.05992	6.2
139.03928	8.8
143.01917	16.1
145.01677	11.0
145.03453	7.0
145.04988	9.2
155.01859	7.2
156.98137	4.3
157.03458	11.1
158.03505	5.8
158.99672	5.3
159.03154	5.0
161.02960	15.7
163.02757	10.9
163.04369	12.6
167.05679	5.4
167.07007	4.3
175.04434	9.2
177.00684	4.5
181.00175	4.3
185.02968	7.7
187.06046	5.5
189.00734	4.7
193.00084	8.4
201.00710	5.1
205.03856	5.3
205.05725	5.2
213.06300	5.0
221.05006	6.6
223.01231	6.3
230.05533	11.0
235.06519	7.8
244.07329	18.0
245.05190	6.7
247.01270	4.9
247.05055	4.7
283.08820	23.1
297.04926	5.6
325.09882	15.5
359.02795	7.9
417.47946	4.1
445.10986	36.4
445.18295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.2
55.23858	1.5
57.07069	1.8
59.09817	1.5
64.39423	1.9
67.05512	16.5
69.07076	25.9
70.90849	1.9
70.91182	4.2
79.05493	25.8
81.07063	60.3
83.08624	5.0
87.35729	1.9
87.41903	1.7
91.05486	42.1
93.07049	28.4
95.04974	3.4
95.08604	34.1
97.06532	4.3
97.10142	1.8
105.04580	2.0
105.07037	81.9
106.07355	1.8
107.08598	24.2
108.25536	1.6
109.10165	10.3
111.04448	2.7
111.23553	1.6
112.97097	1.9
115.05465	1.9
117.06998	16.6
119.08584	48.4
121.10133	14.3
123.11715	3.6
125.05996	22.6
128.06226	2.9
129.06976	6.3
131.08583	19.1
133.10141	18.0
135.04448	2.2
135.11658	11.3
137.05904	2.3
139.07523	5.3
141.07018	2.6
142.07841	4.3
143.08607	10.4
144.09308	4.6
145.10123	12.5
147.11665	6.2
149.13281	9.3
151.07523	5.0
155.08553	6.4
157.10144	16.4
158.10904	2.3
159.11707	65.3
161.09668	2.4
161.13266	100.0
163.07469	2.1
163.14842	11.0
165.06924	1.7
169.10143	6.0
171.11673	6.2
173.13242	13.8
175.14807	1.7
177.12778	3.2
181.10115	2.3
183.11697	7.0
185.13242	6.9
187.14839	4.1
189.12724	2.9
189.16406	2.3
195.11687	2.6
197.13228	7.5
199.14861	8.9
201.16423	3.0
203.10750	2.3
205.12337	11.4
207.13828	5.3
209.13248	6.3
210.13977	2.4
211.11311	2.2
211.14828	3.2
213.16400	7.0
214.16447	1.9
219.17517	2.1
223.14819	2.2
225.16383	5.6
227.18040	4.0
229.12276	2.0
231.13834	4.0
239.17896	7.1
243.13704	2.1
245.15349	2.6
251.17949	4.1
253.19504	2.6
265.19553	6.3
311.20139	4.4
321.25784	31.5
323.27328	3.2
339.26749	5.8
367.26425	9.1
445.27719	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83087	2.7
55.05516	6.3
55.57807	2.5
64.80557	2.8
67.05514	13.7
68.54940	2.9
69.06787	2.3
69.07080	27.6
71.35207	5.5
73.76710	3.0
79.05494	24.5
81.07064	51.7
83.08636	4.8
89.11669	2.7
91.05486	36.1
91.11119	2.7
93.07043	32.0
94.25755	2.6
95.08619	26.4
97.06521	3.5
102.55361	2.5
105.07040	75.8
107.08605	15.0
109.10150	8.0
117.07046	14.2
119.08592	41.6
121.09356	2.9
121.10116	13.9
125.06017	20.5
129.07014	5.8
130.07736	3.7
131.08577	17.5
133.10152	16.8
135.04430	6.0
135.11708	7.8
139.07574	21.6
142.07776	6.2
143.08553	8.3
144.09341	4.5
145.10149	13.8
147.11627	6.8
149.05988	4.6
149.13307	5.7
151.07509	5.1
155.08513	7.9
157.10118	13.7
159.11700	62.5
161.13263	100.0
162.13741	3.6
163.14819	9.6
165.07053	3.5
169.10182	8.5
171.11710	5.0
173.13260	9.5
175.14880	4.2
181.10106	6.4
183.11737	10.7
185.13242	8.8
187.11296	3.8
187.14757	2.9
195.11705	9.4
197.13278	9.6
199.14775	6.9
205.12267	73.9
207.13702	4.1
209.13324	7.9
211.14812	8.6
213.16417	6.5
223.14867	7.0
225.16400	9.4
229.08089	2.6
231.13586	2.9
237.16391	5.8
239.18004	23.4
241.19514	3.8
253.19553	3.5
265.19543	11.8
272.22696	2.8
285.18451	9.7
297.18298	3.5
311.20093	8.4
321.25735	37.6
323.27347	4.0
339.26657	4.9
367.26477	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99123	2.0
55.01873	3.6
55.05526	2.6
56.10581	1.9
56.61023	1.6
67.05510	6.4
69.03423	2.9
71.24912	2.7
73.02920	8.5
77.53830	1.8
79.05500	10.3
81.03424	2.0
81.07072	9.4
81.07483	1.7
85.02901	10.5
91.05473	14.0
93.07074	9.2
97.02904	3.2
97.06537	1.8
105.07049	21.3
107.04959	3.6
107.08625	2.5
109.02917	3.6
115.05495	3.9
117.07000	13.5
119.04944	1.9
119.08602	8.9
121.06497	5.4
123.04460	1.9
127.03898	2.7
128.06248	5.0
129.07008	23.2
131.08565	22.8
133.10132	1.8
136.07700	2.3
137.06000	9.0
139.03979	2.0
141.06975	8.6
142.07780	26.7
143.08575	13.0
144.09424	3.0
145.05048	1.7
145.06479	3.0
145.10103	8.8
147.07967	1.9
149.05969	6.4
151.07520	2.4
154.07764	3.1
155.08565	16.6
157.06464	2.1
157.10139	73.4
159.08055	3.1
159.11705	70.2
167.07060	16.3
167.08336	2.6
168.09357	6.9
169.06511	2.5
169.10144	8.1
171.07985	2.9
171.11664	3.6
173.09668	7.2
173.13277	3.3
175.07542	1.8
175.11180	4.3
181.10104	2.2
183.11716	22.4
185.13293	5.8
187.07639	2.6
193.10152	2.8
199.11154	6.6
201.09142	17.8
201.12785	5.4
206.08778	1.7
211.11186	6.9
217.12244	5.4
219.10188	58.2
229.12294	28.3
247.13333	100.0
248.13672	2.8
265.14380	63.3
266.14728	2.0
353.10712	2.1
441.54007	1.8
444.12759	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.9
65.03951	1.6
67.05498	2.1
69.03422	1.0
70.17524	0.8
71.00936	1.4
71.01279	0.7
79.05524	4.3
81.07068	5.1
82.67004	0.7
88.50716	0.7
90.19878	0.7
91.05478	12.7
93.07060	4.7
94.04191	2.2
95.04970	2.5
95.08622	1.7
103.05458	3.9
105.07039	9.7
107.04969	7.7
107.08605	6.3
109.06533	3.3
115.05444	5.0
117.07051	4.6
119.04961	4.4
119.08575	6.5
121.06523	3.0
122.03677	4.6
123.04427	1.2
123.08063	0.7
128.06245	3.5
129.07028	4.1
131.04916	4.1
131.08577	5.8
133.06520	1.2
133.10153	7.5
135.08070	5.1
137.05988	100.0
138.06210	0.8
141.07008	2.9
142.07790	2.6
143.04922	1.8
143.08565	5.4
144.05684	1.0
145.06499	3.9
145.10120	4.1
146.03650	2.0
147.04416	11.9
147.08026	4.3
147.11649	1.2
148.05168	1.2
149.05997	2.0
151.03905	3.0
151.07555	15.3
153.05452	1.7
153.07050	1.4
153.09143	1.1
154.07784	1.2
155.08537	2.2
156.09303	1.2
157.06441	1.1
157.10120	5.1
159.11707	3.2
160.05208	1.8
161.05995	3.3
161.09616	5.5
163.07564	6.3
165.07040	1.3
165.09090	1.1
167.08521	1.0
169.06448	0.9
169.10123	1.3
171.04442	1.1
171.08110	2.3
171.11723	1.7
173.09663	1.1
173.13326	1.0
175.07594	8.6
175.11176	1.1
177.09138	2.3
179.07135	4.8
179.10703	4.0
180.07832	12.3
181.08618	5.3
181.10083	1.6
183.11752	1.0
185.09631	2.3
185.13307	1.0
187.07619	1.6
187.11241	1.0
188.08281	0.9
189.09137	5.8
190.06248	1.1
193.10153	1.2
195.08141	1.2
195.11700	1.0
197.08089	2.4
199.11195	2.5
201.09116	2.5
203.07054	16.7
203.08815	1.5
203.10643	4.7
205.08615	3.2
213.09135	1.1
213.12796	2.1
215.10719	2.3
217.12192	0.9
219.08186	1.1
224.08229	1.1
227.10733	2.0
229.12262	2.0
231.10170	2.4
241.12343	1.9
251.10860	1.1
252.11531	1.2
253.12212	1.7
265.12244	2.6
277.12100	0.8
295.13284	1.1
295.16620	0.8
305.15384	1.0
309.18604	1.3
319.16763	0.9
323.16229	4.1
331.36661	0.9
337.17862	1.4
340.16809	1.2
347.16464	1.8
355.19000	2.4
365.17474	4.2
366.18088	1.1
383.18280	1.9
432.79434	0.7
444.24472	1.7
445.27792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01861	0.9
57.03445	1.5
59.05009	2.0
61.02922	0.9
69.03069	0.6
69.03429	6.7
69.91705	1.0
70.06574	0.4
71.04989	0.8
73.02915	0.7
73.06564	0.5
73.31406	0.3
75.04475	0.7
81.03411	1.0
85.02429	0.5
85.02912	8.1
87.04474	5.4
96.08145	1.9
97.02892	4.2
99.04453	0.7
101.06010	3.0
109.02896	0.6
111.04424	0.6
112.07605	1.1
114.09174	5.9
115.03934	1.9
119.03567	0.8
119.94689	0.3
123.07905	0.4
127.03930	1.2
129.05490	1.3
136.06194	100.0
137.04610	1.0
137.06570	0.5
139.03963	0.4
142.08618	0.8
145.04933	0.6
146.10905	0.4
147.06531	4.0
150.07799	0.4
158.08099	0.5
158.96783	0.3
160.09743	1.1
171.32108	0.3
282.11972	10.1
286.12848	0.9
298.11700	0.7
304.14038	1.6
348.78949	0.3
392.90643	0.3
410.27017	0.3
411.84546	0.4
442.81149	0.3
444.17764	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	444.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.70862	0.4
55.01859	1.3
56.96565	0.4
57.03456	2.4
59.05004	2.5
60.80446	0.4
61.02914	1.9
62.09017	0.4
67.05497	0.6
68.05019	1.6
69.03439	8.0
69.07074	0.8
70.06610	2.4
70.20889	0.4
70.40997	1.3
70.41374	0.9
71.01337	0.6
71.04981	1.0
73.02913	0.6
73.16723	0.4
75.04482	0.6
79.05502	1.4
80.05006	0.5
81.03410	1.4
81.05780	1.3
82.06546	0.8
83.04991	1.3
84.08127	1.1
85.02435	1.0
85.02913	14.0
85.06522	0.6
86.06063	0.6
87.04463	5.1
91.05801	0.6
94.06566	3.4
96.08138	21.1
97.02897	4.9
98.97575	0.8
99.04461	1.5
101.06024	3.0
109.02892	2.6
109.03550	0.5
111.04453	2.0
112.07614	8.9
114.09176	57.1
115.03912	1.8
119.03561	1.5
120.08109	0.7
123.07960	0.5
127.03932	2.0
129.05519	0.7
130.08649	0.7
136.06197	100.0
139.03928	1.4
142.08647	8.7
145.04955	0.9
147.06537	3.9
148.63727	0.5
153.05612	0.7
158.08138	3.2
160.09708	12.1
164.07091	1.3
165.05443	0.7
170.52669	0.5
184.80743	0.5
202.10779	0.8
219.01805	0.5
220.11780	0.6
236.12750	0.7
237.02771	0.6
264.12463	0.7
268.11871	4.6
282.11951	9.3
286.12906	5.6
298.11633	0.9
304.13947	13.5
426.17923	1.1
444.18719	27.5
446.70462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
53.72396	2.5
55.01881	4.4
55.05518	27.5
57.03440	31.7
57.07082	3.4
65.03945	2.9
67.05510	91.3
69.03422	4.8
69.07076	36.1
71.05005	5.9
71.57330	5.4
75.04490	6.4
79.05501	58.9
81.06579	5.2
81.07062	100.0
83.04978	5.1
83.08617	28.4
85.06557	4.5
88.32612	2.9
91.05486	53.6
93.07053	68.0
93.07635	4.8
95.04968	9.9
95.08613	66.0
97.06543	12.3
97.10180	11.3
99.08128	3.5
105.07044	34.2
107.04967	3.6
107.08599	44.5
109.06518	5.8
109.10156	31.1
111.08111	6.7
113.06036	2.8
114.02706	2.5
117.07043	7.4
119.08590	36.4
121.06504	3.2
121.10155	68.9
123.08062	3.9
123.11729	10.5
129.07016	6.3
131.08569	18.4
133.06505	3.5
133.10109	20.4
135.08058	4.1
135.11703	48.4
137.05992	6.6
137.09622	9.8
141.07008	4.5
142.07774	4.2
143.08571	11.2
145.10118	19.2
147.11708	16.2
149.09596	4.4
149.13280	18.1
151.07570	3.2
151.11208	5.3
154.07742	4.1
155.08562	9.4
156.09351	4.1
157.10156	10.0
159.08127	2.6
159.11702	12.9
161.13283	14.8
163.11197	9.7
163.14818	3.6
165.09157	3.8
165.12718	14.7
167.08498	3.7
169.10149	10.8
171.11725	9.2
173.09666	3.9
173.13275	7.8
175.14847	5.5
177.12724	3.4
179.14372	3.9
181.10182	11.7
181.12230	3.6
183.11668	3.7
185.09694	3.4
187.14780	3.4
195.11986	2.9
195.13788	6.8
197.13339	5.3
199.11179	3.8
199.14844	6.3
211.14822	7.8
223.94669	2.9
227.10814	3.2
231.21053	4.1
241.19592	7.4
249.22160	4.1
259.20563	14.4
277.21628	93.8
295.22745	8.6
327.45856	2.6
335.53247	3.2
351.25317	30.9
369.26398	38.2
425.29056	8.8
443.25238	10.3
443.30847	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01873	14.7
55.05515	21.4
57.03434	6.3
57.07080	100.0
59.08615	1.7
62.48891	1.7
65.03941	3.9
67.05176	2.8
67.05514	42.3
68.99790	1.7
69.03432	21.5
69.07073	29.0
69.92204	8.6
71.05000	3.1
71.08637	65.3
72.36194	1.6
73.02904	2.9
79.05499	6.9
81.03432	13.5
81.07063	55.0
83.04983	5.6
83.08147	2.2
83.08627	39.8
85.02911	29.5
85.06522	3.1
85.10190	40.0
87.04519	2.7
91.05476	7.8
93.03407	2.3
93.07050	11.1
95.01322	2.5
95.04958	12.4
95.08616	74.1
97.02908	20.2
97.10183	18.9
98.21455	2.4
99.04455	3.8
99.08068	2.6
99.11712	3.4
103.03959	3.3
105.07044	9.5
107.08626	8.1
109.02907	4.9
109.06546	2.3
109.10170	34.9
111.04441	8.0
111.11732	5.5
115.03901	4.2
117.07013	5.8
119.08559	10.2
121.10159	5.6
123.04431	13.5
123.11716	19.5
125.02361	3.4
125.13278	4.6
127.03922	6.5
127.14874	2.9
128.06203	1.7
129.06990	5.2
131.08583	10.5
133.10124	3.8
135.08038	2.3
137.13226	7.2
139.03909	23.1
141.05492	7.4
141.06956	3.0
142.07791	4.1
143.08559	6.5
145.10199	9.7
147.07892	2.5
147.11699	3.7
149.14311	1.9
151.03918	14.1
151.14815	3.4
155.08559	6.2
156.09367	2.2
157.10129	9.7
159.11746	8.4
161.06110	1.7
161.13237	2.8
165.16444	3.3
169.04990	25.3
169.10162	4.6
171.11668	3.5
173.09621	4.5
173.13240	2.7
181.10143	3.5
183.11693	6.1
185.13245	4.5
187.06047	17.2
187.14828	3.0
193.10133	2.8
195.11732	5.7
197.13162	1.8
199.11176	2.9
199.14888	4.3
201.12724	2.1
205.15929	1.8
211.11292	1.9
211.14859	2.1
213.12738	4.2
215.14330	3.9
221.22775	3.4
238.27843	1.6
239.23712	39.3
377.26895	5.7
384.61710	2.1
397.25589	2.4
407.28015	2.6
425.24121	3.8
425.25543	2.7
425.28949	17.2
443.24835	18.4
443.30362	11.2
454.75293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
53.73186	1.3
55.01874	21.2
55.05513	17.2
57.03433	10.3
57.07077	100.0
61.64627	1.5
65.03960	3.1
67.05508	43.5
69.03435	24.2
69.07073	26.0
70.82664	1.4
71.01357	2.9
71.08633	73.0
71.35964	2.7
73.02917	4.8
79.05486	9.3
81.03418	14.2
81.07062	54.2
83.01347	2.0
83.04980	6.8
83.08144	2.4
83.08627	37.4
85.02912	35.9
85.06532	2.8
85.10185	40.0
91.05492	3.4
93.03407	2.8
93.07050	6.1
95.01326	3.4
95.04978	13.3
95.08610	79.2
97.02897	23.7
97.10167	21.9
99.04459	3.8
99.11752	3.7
101.02413	3.1
103.03975	3.3
105.07019	7.7
107.08610	4.5
108.45129	1.6
109.02904	7.0
109.06510	1.5
109.10162	39.3
111.04442	10.3
111.11713	6.3
113.13343	1.9
115.03946	7.2
117.07029	3.7
119.08595	7.4
121.10162	8.2
123.04439	15.8
123.11722	18.8
125.02354	2.8
125.13262	3.7
125.61553	1.5
125.71837	1.5
127.03938	6.6
131.08586	3.5
133.10161	3.5
135.08073	3.3
135.11720	1.6
137.13284	8.4
139.03911	25.6
139.14851	2.2
141.05499	7.9
143.08583	3.3
145.10153	6.6
147.11716	3.7
151.03922	14.0
151.14845	3.7
155.08598	2.6
157.10141	4.5
159.06595	2.3
159.11725	3.1
161.13240	4.2
169.04967	31.2
169.10117	1.9
173.13268	2.3
175.40977	1.5
179.08606	1.6
183.11736	1.7
184.98683	1.4
185.13342	1.7
187.06041	18.4
187.14839	4.5
195.11855	1.5
197.13179	2.2
211.14667	2.1
213.12846	1.7
221.22630	3.0
223.16867	2.9
239.23705	44.1
239.26115	2.8
377.26907	8.0
425.29166	21.1
443.30563	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	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	4.5
55.04256	3.0
61.02924	0.8
69.03432	2.1
70.60502	0.9
70.60874	1.6
80.04999	0.9
81.04549	21.6
82.05321	10.1
85.02914	3.0
87.04449	0.9
97.02911	0.8
108.05614	1.0
110.07220	0.5
122.07159	100.0
123.07941	95.4
124.08275	0.7
127.03990	0.6
129.89471	0.6
136.06143	0.7
144.04829	1.1
149.06326	3.1
160.04320	2.4
164.08177	0.9
165.07721	3.6
172.04276	1.4
224.85544	0.6
281.10687	61.3
282.10861	1.1
323.11484	1.0
342.57840	0.6
443.15979	76.7
444.16196	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	443.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01866	4.3
55.05295	2.6
55.05511	26.5
56.77656	2.1
57.03446	21.3
57.07078	3.9
67.05506	82.6
68.05840	2.6
69.03456	2.3
69.07075	34.8
69.70695	12.9
70.17765	2.1
71.04989	4.2
75.04472	7.7
79.05492	53.9
81.07063	87.5
83.04967	8.0
83.08610	22.9
91.05486	39.0
92.28299	2.6
93.07047	70.2
95.04954	7.5
95.08611	62.1
95.09234	2.8
97.06542	11.9
97.10168	12.7
99.08083	4.6
105.07034	32.3
107.08607	44.6
109.06494	5.0
109.10162	21.6
111.08100	4.3
113.05949	4.0
117.07014	8.2
119.08597	24.7
121.06538	3.1
121.09323	4.4
121.10146	64.0
123.08038	3.9
123.11742	4.8
125.09631	5.6
129.07005	5.8
131.08575	18.2
133.10144	26.3
133.56215	2.6
135.08066	4.6
135.11703	48.3
137.05968	5.6
137.09605	9.4
141.06937	2.8
143.08575	6.7
145.10155	16.1
147.04422	2.7
147.11673	13.9
149.09592	3.4
149.13281	16.4
151.11221	7.1
155.08554	5.4
156.09288	2.9
157.10158	11.8
159.11681	14.7
161.13251	10.2
163.11191	7.4
163.14870	4.2
165.09097	3.7
165.12753	12.5
168.09271	2.6
169.10118	7.6
171.11673	6.9
173.09651	3.4
173.13268	4.7
175.11311	2.6
175.14824	7.8
177.12779	6.9
179.08466	3.1
179.14200	2.8
181.10117	7.7
181.12338	4.2
183.11700	3.8
185.13277	2.9
189.16452	2.6
195.13774	4.4
197.13280	5.3
199.14883	4.5
211.14845	5.6
231.21060	2.7
233.95479	2.8
241.19510	7.7
249.22136	5.1
259.13391	2.9
259.20639	14.9
277.21631	100.0
295.22702	5.0
351.25372	37.4
369.26300	33.2
425.28842	8.9
443.25189	8.7
443.30789	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	443.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74097	6.5
56.96571	6.7
57.03440	7.8
61.98613	6.9
67.13960	6.6
69.03430	27.0
70.06606	11.8
71.01476	11.4
71.01826	13.9
72.06927	7.5
73.02925	7.9
81.03443	6.5
81.04553	23.0
82.05342	9.5
85.02918	44.4
86.78234	6.5
91.03915	7.2
97.02908	19.2
98.97600	17.0
101.00914	32.2
103.00621	6.7
114.09160	7.7
119.01920	33.5
122.07172	100.0
123.07965	97.7
127.03961	19.9
131.01952	19.2
137.05975	20.5
139.03926	15.7
143.01915	76.1
145.03502	26.6
145.04854	6.7
155.00632	5.8
155.01878	33.6
157.03459	45.8
158.99666	8.8
161.02965	57.6
164.07172	7.7
167.01942	17.0
167.03261	8.4
169.03415	16.2
173.02974	41.4
175.04573	27.1
177.02493	12.6
181.03496	10.5
185.02928	43.7
187.04544	8.1
191.03529	20.0
195.04922	7.5
197.03027	15.4
199.04477	8.5
203.03983	33.9
215.03940	9.7
217.05588	8.7
219.01775	11.5
221.05054	12.4
227.04100	10.4
233.04707	10.9
245.05078	48.6
257.04510	19.7
263.06125	62.2
272.06531	7.3
275.05734	26.4
281.07538	13.1
281.10712	44.1
287.06018	14.8
293.07303	30.8
295.09064	8.7
302.06451	11.3
305.07181	20.5
307.06808	9.4
323.08163	46.1
350.08411	8.1
383.11856	28.6
401.13165	13.5
415.57605	7.4
425.08636	19.2
441.63583	7.9
443.09952	98.7
443.15881	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01871	6.6
57.03179	1.7
57.03436	15.9
59.04996	1.7
61.02929	14.5
61.23737	1.3
69.03434	36.2
69.44917	9.7
71.01350	4.9
71.04990	2.7
73.02922	64.4
81.03422	7.0
81.07058	1.1
83.01366	1.2
83.05015	1.7
85.02911	100.0
87.04450	3.7
91.03950	4.9
91.05473	1.2
95.08591	1.6
97.02898	51.9
99.04444	3.9
101.02390	1.9
103.03947	2.8
107.04975	1.4
107.08588	1.4
109.02877	8.0
113.44830	1.3
115.03931	25.7
123.04440	2.8
125.09547	1.2
127.03923	30.0
127.04816	2.7
131.14146	1.1
133.04007	2.1
133.04968	30.6
139.03894	6.6
143.03433	1.3
145.04970	50.3
150.07622	3.0
151.03888	2.3
163.06052	14.4
193.05043	1.3
199.06009	1.9
200.07112	1.6
217.07266	5.5
218.07912	1.5
223.06075	4.9
224.07149	1.4
230.08101	1.8
241.07097	4.3
242.08153	2.3
259.08197	6.6
295.10507	1.2
442.11240	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	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01865	1.9
57.03436	23.6
61.02927	13.3
63.57267	1.1
68.18314	1.1
69.03077	2.1
69.03432	30.2
70.67450	3.8
71.01349	3.5
71.04997	1.5
73.02921	52.6
77.21362	1.3
81.03421	6.5
85.02909	100.0
87.04478	2.6
91.03960	3.7
97.02897	43.5
99.04459	4.2
109.02898	7.6
115.03939	29.4
123.04435	1.5
127.03923	27.1
133.04956	7.1
139.03914	5.0
144.06512	1.3
145.04964	44.7
150.07648	2.7
161.24832	1.4
163.06047	16.9
178.08510	1.4
200.07004	1.5
201.23483	1.2
217.07294	3.5
223.06062	1.7
230.08174	2.2
241.07060	3.1
242.08200	2.3
259.08307	3.2
276.23605	1.2
293.19275	1.4
377.04263	1.4
386.80542	1.4
442.11337	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	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01836	1.3
55.05501	2.8
57.03193	1.8
57.03440	25.3
57.07068	1.4
61.02926	12.9
62.67620	1.2
67.05476	1.0
68.73895	1.0
69.03430	32.2
69.41954	1.4
70.88367	2.7
71.01344	2.7
71.04995	1.3
71.08611	4.3
73.02919	53.7
81.03416	6.1
81.07045	1.4
82.96275	1.1
83.04971	1.8
85.02907	100.0
86.48287	1.1
87.04453	3.6
88.11284	2.0
91.03938	5.0
97.02899	44.4
99.04451	5.5
100.11257	3.0
103.03963	1.6
106.30733	1.0
109.02859	7.8
111.04456	1.4
115.03936	27.5
123.04421	1.2
127.03928	29.4
128.07007	1.3
128.44173	1.4
129.54802	1.3
132.06566	2.0
133.04955	11.2
133.10123	1.2
139.03905	4.8
145.04962	56.2
150.07573	3.2
151.03900	1.7
163.06023	20.9
167.07083	1.4
170.15408	8.8
182.15408	4.6
198.15015	6.5
199.47505	1.2
209.16414	1.3
210.14893	3.8
217.07326	2.8
223.05991	2.9
230.08208	1.9
241.07166	2.6
242.08012	1.7
259.08234	5.8
280.09558	1.6
293.19580	3.1
295.10092	1.3
337.21069	2.4
424.31772	4.3
442.11285	12.8
442.32739	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	442.1133
Annotation	Aristolactam IIIa N-beta-glucoside
Peak:m/z	Relative Intensity
52.97372	0.8
55.01875	0.9
55.05517	0.7
59.13276	0.7
62.31363	0.8
64.27921	0.7
65.03951	1.4
65.12904	0.7
67.05517	0.7
68.99781	1.4
69.03418	1.0
70.82298	1.4
79.05469	0.8
95.04974	1.8
97.02888	1.2
100.71317	0.9
107.04979	1.5
111.04472	4.3
114.09187	2.8
121.06506	1.1
123.04438	15.9
135.04451	1.1
136.82498	0.8
139.03912	70.9
151.03915	20.0
151.05128	1.2
153.05486	3.5
160.09724	1.7
163.03914	4.8
168.08148	1.6
170.06094	1.6
171.06750	1.0
172.07614	4.5
181.04965	5.0
184.07587	5.1
195.06892	1.0
196.07613	8.2
198.05556	1.6
199.06311	2.2
200.07062	13.2
202.05037	3.3
206.06071	3.1
210.68286	0.8
212.07057	7.9
213.07817	5.0
214.08650	4.0
216.06577	5.0
217.07352	45.8
218.08145	11.7
224.07089	16.2
226.08640	1.0
229.07448	4.9
230.08139	27.5
231.08548	0.9
236.07028	1.2
240.06624	3.1
241.07396	3.7
242.05629	1.5
242.08133	30.0
243.08536	1.0
244.06129	1.2
254.08066	4.3
257.06866	1.2
258.07693	3.1
259.08417	14.5
260.09177	5.9
268.06100	2.1
286.07233	1.4
304.08145	1.6
304.13812	0.9
339.25266	0.9
346.16119	0.9
362.10284	2.2
378.09686	1.5
380.11279	1.9
397.11642	1.4
424.10330	2.4
438.31946	0.8
442.11377	100.0
442.21097	3.3
443.11691	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	441.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49574	6.2
53.03930	14.4
55.01884	10.5
55.05509	20.9
67.05517	31.8
67.36393	7.0
69.07072	14.5
71.04991	12.7
71.55115	12.0
79.05498	30.3
81.03400	9.1
81.07057	38.3
83.05003	12.7
85.06541	9.9
91.05495	82.7
93.07042	62.1
95.04998	35.2
95.08620	29.2
96.91214	5.6
103.05493	14.3
105.07040	73.7
107.04960	13.4
107.08597	21.8
109.02852	6.9
109.06572	11.8
109.10178	20.7
111.04432	9.4
115.05476	19.6
117.07011	38.8
119.04970	36.0
119.08594	56.1
120.05306	8.1
120.44715	5.9
121.06565	11.1
121.10148	20.3
121.76278	5.8
123.11711	7.2
128.06244	21.1
129.06985	33.8
131.08572	48.4
133.06477	7.3
133.10162	16.3
135.08092	8.2
135.11760	8.4
137.06007	10.1
141.06993	19.0
142.07759	18.6
143.08589	40.0
145.06526	48.4
145.10114	39.3
146.07246	8.5
147.04434	62.9
147.08052	15.5
147.11691	8.4
148.04755	25.0
149.04929	13.5
149.09622	11.4
151.07610	10.1
152.06255	7.7
153.06996	19.4
154.07774	12.0
155.08533	38.8
157.06470	9.6
157.10075	35.7
159.08083	24.6
159.11688	35.9
161.06065	19.0
161.09683	12.2
161.13316	6.8
163.07573	11.8
165.07022	15.4
165.09174	23.7
166.07825	10.5
167.07146	10.5
167.08600	19.5
168.09329	12.0
169.06599	8.9
169.10139	32.8
171.08092	30.3
171.11690	12.2
173.06004	9.5
173.09656	20.7
173.13245	7.2
175.07584	8.4
177.09163	10.9
178.07771	17.5
179.08537	25.6
180.09325	9.5
181.06593	8.6
181.10089	18.1
182.07349	8.3
183.08118	14.2
183.11696	20.5
185.09639	26.9
185.13292	10.3
187.07602	16.2
187.11165	12.7
188.08293	79.1
189.09039	10.1
190.07906	10.3
191.08589	13.1
191.62877	6.8
192.09399	8.8
193.10138	19.9
195.08118	21.1
195.11716	10.2
196.08813	17.0
197.09636	37.8
198.10403	7.5
199.07565	13.4
199.11150	18.1
201.09122	23.7
203.08517	16.6
204.09406	10.6
205.10153	18.5
205.12123	9.5
207.08098	9.0
207.11789	16.1
209.09665	25.8
211.11159	19.6
212.08447	10.4
213.09129	24.4
213.12755	7.2
214.10007	7.9
215.08562	14.0
216.09393	15.1
217.10201	15.8
219.08080	6.9
219.11783	12.7
220.08759	9.2
221.09679	23.4
222.10396	13.7
223.11180	17.9
225.09099	32.5
225.12735	11.8
227.10608	12.9
229.10271	16.6
229.12338	8.3
230.11026	12.1
231.11824	13.5
232.09160	7.3
232.12396	10.3
233.09686	13.2
233.13254	13.1
234.10124	10.9
235.11244	31.5
237.12775	10.5
239.10791	18.3
240.11459	10.6
241.10207	14.8
241.12289	14.0
242.10983	11.2
243.11995	12.2
245.13280	19.9
247.11209	18.8
247.14877	9.7
249.09225	8.6
249.12788	8.1
251.10509	12.6
253.12413	8.6
255.11673	11.3
256.12515	19.7
258.10379	15.0
259.11218	26.2
260.12103	11.0
261.12750	13.6
263.10703	18.2
267.10175	13.2
268.10968	9.8
271.14828	12.1
273.12750	42.5
274.13449	7.9
275.10791	9.1
275.14133	8.2
281.11517	15.8
283.11227	12.9
284.12003	9.4
286.11972	38.1
287.10706	13.3
289.15866	16.6
291.10101	8.1
291.13791	10.4
299.14310	41.3
301.12158	14.8
305.15027	8.4
313.15900	10.6
317.15341	40.7
319.13315	15.4
327.13760	17.3
329.11667	13.9
331.17142	13.3
335.16415	19.9
337.14325	28.0
341.15366	20.3
345.14798	44.1
347.12756	9.8
359.16376	46.0
361.18060	8.9
363.15927	17.4
377.17407	24.7
393.28378	8.3
405.12598	8.9
405.17059	85.8
423.18021	100.0
441.25717	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	441.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21169	0.7
69.70081	4.1
92.29641	0.8
96.42803	0.7
190.17274	0.7
290.48660	0.7
304.04623	0.8
441.10068	100.0
442.10455	3.1
449.89850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.8
55.05506	4.5
56.96543	3.4
68.99783	17.3
69.03415	8.9
69.07052	5.9
70.06582	5.8
71.05043	2.9
71.57014	4.3
76.44732	3.2
80.21900	2.8
81.03426	7.7
84.08106	5.5
85.02901	12.5
91.05482	4.2
92.90669	3.4
97.02895	8.0
98.97605	13.2
105.03394	4.4
109.02901	4.1
110.06061	3.4
110.33970	3.0
110.97552	3.8
111.00813	26.4
111.04446	7.2
113.67346	2.9
116.98608	6.5
123.04447	13.8
127.03891	5.6
135.51096	2.8
137.05914	4.8
139.03906	92.0
140.06972	3.3
147.04309	4.0
151.03780	3.3
153.07034	6.7
158.99695	4.2
160.07590	5.2
163.03914	60.8
164.07050	3.8
165.07114	3.6
167.07065	8.1
177.00771	4.0
177.05476	5.7
181.06558	16.2
195.08165	4.1
197.05942	4.2
199.07613	22.0
209.05980	15.2
216.06808	5.5
217.04913	3.3
219.01743	6.0
219.08086	3.7
221.05981	5.7
223.07442	6.8
225.05348	4.4
227.07008	41.4
237.02968	8.0
237.05476	23.3
243.06432	4.7
245.04482	7.0
247.07538	11.1
251.07115	20.9
255.06558	55.2
265.08609	12.3
267.06833	4.1
269.08014	5.7
271.05939	3.4
273.07553	100.0
275.07025	10.9
277.08514	3.8
279.09796	3.6
279.13492	3.3
283.06009	4.3
285.03827	3.9
285.07489	8.6
291.08575	19.5
293.08102	31.1
295.09665	7.5
297.07501	6.7
303.06308	5.5
315.08713	9.1
321.07648	9.7
339.07602	4.5
341.08206	4.5
359.08945	5.0
387.08612	14.2
405.09720	76.5
423.10764	13.9
441.12097	32.8
441.17807	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37954	1.9
55.01864	4.7
55.05494	3.7
57.02121	2.1
57.03438	25.8
59.05007	2.1
61.02916	9.7
67.05506	3.0
69.03438	36.7
69.07079	17.5
71.01330	4.1
71.05005	2.7
71.57864	2.5
73.02920	59.7
79.05493	3.3
79.10401	2.2
81.03407	8.6
81.07032	3.5
84.52577	2.3
85.02908	100.0
87.04476	4.7
91.03922	2.7
91.05457	4.4
93.07041	3.9
95.04972	3.3
95.08607	3.8
97.02296	2.7
97.02903	54.6
97.06522	2.1
98.09748	2.0
99.04436	5.6
105.07035	4.9
107.04911	2.4
107.08585	3.3
109.02865	7.6
111.11707	6.5
115.03947	32.0
119.08525	2.9
123.04440	5.6
124.07557	4.2
127.03932	28.0
132.06578	3.0
133.04990	11.7
133.10144	4.2
137.05998	3.0
139.03949	3.9
145.04971	43.6
145.10126	2.7
147.11685	2.6
150.07640	2.7
163.03905	2.1
163.06020	16.1
167.07033	3.3
178.08694	3.4
241.07007	4.4
244.97427	2.3
255.11247	3.9
259.08032	2.3
315.13333	29.9
440.23502	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	440.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.5
55.05513	2.7
65.08914	2.3
67.05495	5.5
71.35864	6.1
75.26521	2.3
79.05476	8.5
81.07047	6.9
91.05486	30.4
92.05805	5.0
93.07040	10.7
95.04939	4.2
95.08636	5.7
102.23906	2.4
105.07046	17.5
106.07379	2.9
107.04971	3.5
107.08607	8.2
109.10156	3.3
111.04452	8.6
115.05447	7.0
117.07011	18.1
119.04959	16.4
119.08582	16.9
120.05293	6.5
120.08881	2.8
121.06535	16.7
121.10152	3.5
126.74204	2.5
128.06250	3.9
129.06990	7.6
131.04895	7.2
131.08540	14.1
133.06593	3.3
133.10144	6.2
135.08133	3.8
137.05966	4.0
139.70911	2.6
141.06964	6.2
142.07829	14.2
143.08572	13.7
143.76353	2.4
145.06505	10.0
145.10107	9.5
146.07288	39.7
147.04422	45.2
147.08005	7.7
147.11674	3.1
148.04768	24.1
148.12158	3.0
149.09630	2.8
149.13116	2.6
151.07550	58.2
153.07016	6.4
154.07825	2.4
155.08545	16.1
156.09341	6.6
157.10139	82.3
158.10570	3.3
159.07990	3.1
159.11710	17.3
161.05952	3.2
162.06721	7.1
163.07570	3.1
165.07002	5.9
165.09157	9.8
166.07747	4.5
167.08578	14.8
168.09355	29.2
169.10037	7.2
170.10878	9.5
171.11696	3.4
173.13155	3.3
175.07607	5.7
177.09114	100.0
179.08488	5.8
181.08643	3.3
181.10121	24.1
182.05579	2.9
183.08107	2.7
183.11702	77.9
184.12080	4.5
185.09715	4.2
185.13275	29.2
187.11162	8.3
189.09094	19.4
191.10686	7.6
193.08673	21.7
193.10013	19.2
195.07938	3.2
195.11691	7.6
196.08821	4.4
198.10170	3.3
199.11169	3.8
201.09106	7.3
201.12715	4.8
203.10716	9.4
211.11189	63.5
212.11501	3.9
213.12733	8.2
215.10759	5.2
217.12212	2.9
222.10394	3.5
229.12227	63.8
230.12616	3.2
231.13809	14.5
233.11723	10.1
239.10651	4.7
239.14467	4.0
241.12183	7.9
253.12173	4.2
255.13654	4.3
267.13943	3.9
289.12518	2.7
293.15292	2.7
303.13736	3.5
325.13849	2.7
359.19940	2.9
377.21057	7.4
387.19550	5.5
405.20645	47.8
406.21082	2.7
423.21686	62.3
424.21841	3.7
440.24380	17.1
441.24460	3.6
457.85983	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	440.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01550	0.5
52.38807	0.5
53.03934	0.8
66.59274	0.5
67.05547	0.5
70.38010	1.9
76.09115	0.5
78.04722	2.9
79.05492	3.6
81.07034	0.6
91.05477	2.4
95.04986	0.9
97.04961	0.6
98.21561	0.5
103.05445	3.4
105.07045	4.3
106.04173	1.7
107.04952	6.4
112.07662	0.6
115.05487	1.6
117.06993	1.0
119.04922	0.6
121.06522	1.6
123.04441	5.6
123.08099	0.6
124.05196	2.1
125.05910	0.6
125.54170	0.6
129.06975	1.0
130.13745	0.5
131.04932	6.7
131.08519	0.8
132.05832	0.5
133.06500	4.0
134.03598	0.8
135.08051	1.1
137.05980	2.1
141.07025	0.7
142.65048	0.5
143.04918	0.8
144.05699	0.8
145.06474	2.4
147.04401	1.5
149.06042	0.6
151.03906	1.4
151.07570	4.3
152.04694	1.8
153.05490	0.9
157.06473	0.6
158.07219	1.3
159.08105	1.3
161.06001	5.7
163.07556	11.9
165.09166	0.5
167.07048	100.0
168.07388	1.5
173.06006	1.1
173.09598	0.8
175.07571	1.5
177.09123	2.9
179.07018	3.0
181.08617	4.1
184.60071	0.6
187.07565	2.1
189.09084	0.8
191.06966	0.8
192.07872	0.8
193.08626	15.3
195.10158	0.8
201.09140	1.9
203.08734	0.7
205.08653	0.8
212.30989	0.5
217.08469	0.7
219.10251	1.8
221.11821	0.6
233.11801	3.2
237.11287	1.9
251.12674	0.9
263.10721	1.1
295.13239	1.0
323.12671	2.6
337.06915	0.8
355.15515	8.2
387.18005	4.6
405.19168	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	440.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
56.96564	1.0
57.03419	1.0
57.29891	1.0
61.02925	2.1
66.58798	1.0
67.05468	1.6
68.05038	2.1
69.03442	6.2
69.73380	6.0
70.06600	5.5
71.04999	3.0
73.02924	1.9
79.05507	2.3
79.25282	1.0
81.03418	3.1
82.06589	1.9
83.04992	3.7
84.08134	2.0
85.02913	14.8
86.09718	5.3
87.04484	1.1
94.06585	4.5
96.08138	23.5
97.02921	4.8
98.20831	2.2
98.97601	2.3
99.04469	1.8
100.07620	1.5
101.06013	3.1
111.04491	1.6
112.07615	12.2
114.09180	100.0
116.07108	2.8
116.10788	1.3
119.01951	1.4
127.03937	3.5
130.08676	2.4
132.10222	4.3
134.73833	1.1
138.78372	1.1
139.03899	2.1
140.06975	1.5
142.08656	15.6
158.08125	5.3
160.09715	44.1
164.07155	1.4
173.02995	1.3
185.02997	1.1
193.24889	1.0
219.01842	1.4
232.11897	1.2
237.02954	1.4
260.11118	1.1
268.11884	4.4
277.11975	1.8
278.12152	4.2
278.16040	4.8
286.12866	4.8
292.09521	2.3
304.13928	15.2
306.11084	1.4
321.10190	1.0
322.10333	1.5
440.16547	4.5
440.21384	88.0
441.21750	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	439.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67999	0.2
55.05513	0.6
65.03941	1.4
70.35646	0.2
70.48965	0.3
70.49355	0.4
83.04985	0.8
91.05492	12.3
97.26868	0.2
97.75342	0.2
101.83157	0.2
111.04453	8.6
119.04955	27.9
120.05256	0.4
128.77089	0.2
142.96445	0.2
146.72597	0.2
147.04422	100.0
148.04765	1.1
158.22922	0.2
166.41078	0.2
183.21976	0.2
257.08136	2.6
308.64066	0.2
439.13876	1.1
444.61880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
65.03947	2.0
68.11842	0.2
71.44768	0.2
83.04980	0.5
86.02528	0.2
91.05491	14.9
92.05779	0.2
98.28097	0.2
111.04456	9.6
114.82700	0.1
119.04955	30.9
120.05305	0.2
132.99005	0.2
147.04424	100.0
148.04755	1.8
232.88310	0.2
233.07855	0.2
257.08176	1.9
312.08432	0.2
439.13889	0.7
451.55560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.4
59.83611	0.2
65.03931	1.5
70.38097	0.6
83.04980	0.5
91.05491	14.9
111.03836	0.1
111.04455	7.6
119.04957	29.6
120.05299	0.5
127.63400	0.2
143.17424	0.2
147.04425	100.0
148.04720	1.4
155.04811	0.2
187.81285	0.2
198.47528	0.2
202.33177	0.3
257.08176	1.9
280.84473	0.2
379.31827	0.2
439.13809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88898	2.4
53.03945	3.6
55.01865	4.5
55.05512	22.8
55.28559	2.5
57.07079	18.0
59.04993	5.9
59.40350	3.0
65.03931	4.6
67.05505	49.7
69.07070	48.4
71.04988	3.9
71.08625	7.7
71.56560	3.2
71.56928	3.5
79.05490	28.0
81.07063	100.0
83.04982	7.4
83.08626	15.7
85.06551	14.8
85.10192	4.0
89.06035	12.5
89.23273	2.7
91.05487	32.2
93.07046	49.9
94.33578	2.4
95.04950	7.1
95.08612	82.6
97.06535	11.7
97.10184	8.9
99.08082	9.2
105.07036	51.9
107.08606	54.3
109.06503	9.7
109.10159	66.7
111.08060	5.0
111.11763	6.2
117.07039	20.3
119.04929	10.4
119.08590	56.0
121.06515	5.1
121.10155	47.5
123.08070	6.8
123.11716	58.0
124.14947	2.8
128.06195	3.0
129.06993	11.8
131.08588	32.7
133.06390	3.3
133.08617	8.4
133.10138	37.9
134.08931	4.0
135.08055	5.9
135.11702	29.6
137.09601	4.5
137.13216	11.9
139.11136	4.2
141.06923	3.1
141.12732	4.0
142.07819	3.6
143.08569	20.1
144.09268	3.5
145.10149	37.6
147.04414	33.3
147.08043	3.8
147.11703	29.9
149.09647	7.3
149.13263	23.1
151.11180	4.4
155.08548	10.0
156.09320	2.8
157.10126	21.8
159.08118	3.3
159.11713	30.4
161.09604	5.2
161.13258	24.3
163.11234	3.4
163.14790	13.6
165.12758	5.3
167.08588	3.4
167.14322	3.1
168.09233	3.5
169.10162	12.5
171.11696	20.7
173.09610	10.3
173.13211	19.0
175.11221	5.2
175.14903	16.1
177.12700	5.0
177.16412	5.0
178.31781	3.0
181.10098	5.9
182.10899	3.8
183.11693	13.2
185.13272	15.9
187.11345	3.2
187.14853	16.7
189.16377	27.9
191.14400	3.3
191.17903	19.1
193.10201	3.6
193.15924	3.9
195.11691	8.4
197.13351	14.3
199.14767	9.9
201.16441	19.3
203.14285	8.0
203.17960	50.4
205.19550	6.8
208.12570	4.2
209.13208	6.2
211.14844	10.1
213.12697	3.7
213.16383	9.1
215.14357	7.8
215.17990	15.8
217.15909	8.4
217.19479	7.6
219.17468	17.5
223.14861	5.9
225.16420	6.5
227.17905	17.6
229.19392	8.3
233.15408	13.8
235.16925	6.3
237.16479	4.7
237.18484	14.0
239.14900	6.1
239.17903	12.0
240.15190	5.5
241.19476	8.5
243.21065	4.4
245.18954	4.6
249.18527	7.6
251.17961	8.4
253.19551	6.8
255.21199	4.9
257.18854	4.8
267.21011	5.4
269.19000	3.5
271.20627	4.8
285.22119	6.3
293.22778	3.3
335.27173	3.7
353.28519	5.0
371.29614	4.4
377.32242	5.5
381.31271	6.6
390.29834	3.0
403.33768	2.9
421.35080	29.7
439.22641	3.6
439.35968	89.8
440.35699	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	438.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
69.03428	3.5
71.24742	3.2
81.03381	3.1
85.02908	10.1
91.05502	2.0
97.02869	2.4
97.41050	1.5
120.58434	1.5
121.06488	2.9
122.74364	1.8
126.01076	5.1
133.86565	1.5
137.06001	2.2
140.97098	1.5
144.02113	5.7
148.05182	7.7
149.05789	1.4
151.07545	3.5
154.06259	4.6
163.07465	1.5
164.08386	3.1
165.09093	2.3
166.06281	3.4
167.07050	11.0
169.08543	2.3
177.05510	11.0
179.07034	2.0
180.07848	2.4
181.08601	100.0
182.09030	1.8
190.06421	1.6
191.06938	2.7
192.07814	36.2
192.09418	3.1
193.04944	1.9
195.10239	4.5
196.07283	2.6
207.10179	5.4
208.07362	2.3
223.09634	33.3
225.11107	2.0
226.08414	2.8
241.10719	69.0
242.11099	2.3
247.76369	1.4
306.07440	1.9
431.82501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56269	2.5
51.50737	2.4
53.62035	2.6
55.05510	4.9
57.07075	5.5
67.05498	6.8
69.07090	6.1
69.87212	10.6
71.08638	3.6
79.05499	4.5
80.50710	2.2
81.07066	18.0
83.08638	4.0
85.06539	3.9
85.10165	2.8
89.06046	7.4
91.05478	12.4
93.07040	19.0
95.04997	3.2
95.08611	13.5
96.35448	2.9
98.21222	7.5
100.40750	2.3
105.07034	11.9
107.08616	19.5
109.06532	22.7
109.10186	5.1
117.07013	3.0
119.08575	17.5
121.06496	3.0
121.10149	11.1
123.08103	6.6
131.08578	5.0
133.10156	8.5
135.08093	4.1
135.11678	6.5
143.08591	4.5
145.10127	7.0
147.04506	5.6
147.11684	4.4
157.10144	7.7
159.11687	18.9
161.09717	3.4
161.13271	2.9
173.13281	5.4
175.14851	5.0
177.12791	7.0
189.16527	3.6
199.14877	8.0
217.15900	11.4
235.16942	100.0
347.91412	2.7
460.22089	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	439.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
57.47750	0.3
65.03948	1.4
68.20968	0.3
68.91390	0.2
70.60506	0.8
74.71113	0.3
83.04990	2.2
91.05488	14.2
111.04452	7.3
119.03703	0.4
119.04955	27.0
147.04422	100.0
148.04764	1.3
169.04951	0.3
187.07764	0.3
247.71259	0.3
257.08087	1.4
275.09109	0.4
326.10452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
61.02938	2.9
69.03423	7.0
69.70438	11.5
73.02942	2.3
81.03397	2.5
85.02914	15.5
90.81094	1.9
91.05511	3.4
97.02891	6.5
102.38844	1.8
105.95653	2.0
107.04959	6.2
109.02879	3.7
121.06475	4.4
123.04488	2.8
126.01064	6.6
127.03905	2.6
135.08012	2.3
137.05988	5.7
139.03964	3.0
144.02148	6.2
145.04997	2.9
148.05203	5.3
149.05998	4.5
151.07573	20.7
161.05928	1.8
163.07562	3.9
164.08365	4.0
165.05533	8.0
165.48431	2.0
167.07091	8.5
177.05504	26.5
179.07079	16.2
180.07840	6.6
181.08592	39.8
190.06345	3.5
191.07109	4.5
192.07835	85.3
193.04973	1.9
193.08470	3.2
195.10159	6.6
196.07324	24.6
197.08115	6.4
204.62332	2.0
208.07309	4.7
211.07782	3.9
211.09694	41.8
223.09669	100.0
226.08456	7.4
241.10747	53.2
306.07440	3.9
399.90979	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05510	4.8
57.07090	2.2
67.05513	10.3
69.07073	8.5
70.77078	1.8
70.77436	5.1
79.05502	7.4
81.07072	18.3
83.04991	2.7
83.08624	4.4
91.05491	9.2
93.07057	12.2
93.07554	1.8
95.04974	2.3
95.08608	17.0
97.06522	2.8
97.10188	5.1
105.07047	14.4
107.08597	12.7
109.10150	11.1
117.07018	13.1
119.08589	14.3
121.10170	9.3
123.11716	5.6
129.07039	3.1
129.73320	1.8
131.08611	10.8
133.06433	1.8
133.10121	10.3
135.08093	2.7
135.11720	6.1
138.75609	1.8
141.05446	4.2
141.07030	3.8
142.07794	2.3
143.08582	7.0
145.10146	8.5
147.08049	2.1
147.11729	8.5
149.13290	4.6
155.08582	6.1
157.10115	8.8
159.11729	7.3
161.13306	11.2
163.14830	4.8
169.10149	6.9
171.11748	3.9
173.09723	2.7
173.13341	8.1
175.14911	3.3
181.10022	1.9
183.11732	10.7
185.09679	2.4
185.13336	4.0
187.14838	3.4
189.16389	4.6
195.11732	2.0
197.13332	4.5
199.14835	12.8
201.12828	2.3
201.16446	3.8
203.17952	3.6
210.09618	2.2
217.15849	2.4
227.18051	2.1
229.19495	13.0
235.16936	13.8
239.15327	3.8
239.17964	41.1
241.19516	2.3
253.19518	1.9
257.19016	10.6
302.34894	2.1
401.32355	2.9
409.35007	2.5
419.33167	19.9
437.34244	100.0
438.34821	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
68.10990	1.4
68.75034	1.3
69.03419	3.2
70.90921	2.4
85.02934	7.9
86.19749	1.3
97.02879	1.8
104.18456	1.5
117.49560	1.4
121.06526	2.5
136.05154	1.8
137.05943	1.7
144.02101	3.4
148.05232	7.1
148.06180	1.4
149.06004	3.9
151.07542	4.9
154.06235	3.8
161.05972	2.2
162.06670	1.6
164.08328	4.6
165.05569	2.1
166.06247	2.2
167.07043	9.9
169.08652	3.1
177.05467	11.2
180.07805	4.6
181.08603	100.0
182.08948	2.7
185.03059	1.7
190.06323	1.4
191.06989	3.4
192.07822	40.5
193.08504	1.5
195.10146	4.9
196.66695	1.7
207.10146	4.2
208.07211	1.6
214.37544	1.4
223.09662	32.4
225.11223	5.5
226.08379	2.2
241.10724	75.9
242.10974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01868	1.0
57.03440	4.3
61.02926	1.3
67.05482	1.0
69.03442	5.2
70.06597	11.5
71.04981	0.9
71.55177	0.9
73.02924	7.6
79.05499	4.6
85.02911	7.1
95.04958	2.7
96.08146	0.8
97.02895	6.0
105.07002	0.8
107.04963	100.0
108.05296	2.2
109.02892	0.9
109.06531	0.9
114.09168	1.6
115.03938	4.5
119.04989	0.9
121.06510	1.4
123.04458	2.5
127.03947	2.3
131.04922	1.2
133.05008	0.9
133.06505	2.3
137.05957	3.7
139.03912	3.1
145.04991	1.9
149.06004	1.1
151.03877	1.0
154.05032	1.4
161.05978	1.1
165.09174	1.0
177.05470	6.4
191.07001	1.9
214.10742	3.0
223.05789	0.9
238.67732	0.9
257.13855	1.6
265.47498	0.9
274.07727	0.8
295.10159	1.4
379.10303	1.8
436.16440	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03944	3.5
55.05511	8.2
55.22289	3.6
55.29356	3.1
57.07072	6.7
67.05505	22.6
67.54173	3.4
69.07053	11.2
71.00487	7.0
79.05499	18.5
81.07063	69.2
83.08619	7.9
91.05481	20.5
93.07050	24.9
95.08619	39.3
97.10189	4.1
105.07049	57.2
107.08602	28.5
109.10157	29.1
117.07029	23.5
119.08591	31.1
121.10171	14.2
123.11722	52.5
128.06219	4.0
129.07002	14.6
131.08575	32.2
133.10132	19.2
135.11714	27.4
143.08594	19.3
144.09351	6.8
145.10123	26.2
147.11658	16.0
149.13269	18.3
155.08583	11.7
156.09283	3.6
157.06529	7.5
157.10156	19.2
159.11720	100.0
161.13281	51.2
163.14839	5.7
169.02240	3.9
169.10115	4.3
171.08034	8.7
171.11729	8.6
173.13342	9.7
175.07701	7.5
175.14806	4.6
180.09297	6.0
183.11682	4.0
185.13280	32.3
187.14838	5.4
189.09111	5.0
193.12231	4.9
195.11772	24.5
197.13297	6.7
199.14886	5.6
203.17964	4.0
205.19536	12.3
213.12740	7.3
229.19635	10.3
231.13899	17.6
231.20938	3.8
239.17967	4.7
257.19046	5.6
275.20093	13.3
309.25882	4.5
351.23242	14.4
355.26273	3.9
389.32126	11.6
417.31723	5.0
435.32672	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.79531	0.6
56.66468	0.6
65.03942	1.1
67.05500	1.0
67.81396	0.6
68.99799	0.7
70.19227	2.1
79.64492	0.6
81.07058	0.8
83.04948	0.8
84.41628	0.5
91.05487	0.7
93.03402	0.9
98.21457	0.6
99.59280	0.5
101.50965	0.6
105.06987	0.7
111.04452	3.4
119.04951	1.1
123.04443	1.4
130.06587	0.7
131.04901	1.2
139.03911	55.8
150.03160	1.4
151.03922	0.6
152.05048	0.7
153.22858	0.6
154.06476	0.9
163.03917	1.8
164.03012	0.6
170.06047	1.4
180.04453	18.0
181.05130	2.2
182.06052	4.9
183.06721	0.5
184.03970	0.7
191.03516	0.6
192.04448	2.3
194.05977	1.5
196.03940	2.0
210.05539	8.5
211.06316	1.1
218.06061	0.8
222.05415	0.9
226.04984	8.9
227.05690	1.4
228.06595	1.0
232.07663	0.7
236.03481	2.5
237.04298	1.5
238.05003	28.4
239.05554	1.2
240.06668	4.3
244.06140	0.8
246.05481	1.4
248.03398	7.9
250.05016	0.8
254.04488	1.3
256.06046	13.9
260.07083	1.1
266.04495	17.0
268.06305	0.6
269.06918	0.6
270.07626	4.5
280.06036	2.7
286.07159	2.6
288.06500	1.1
298.07123	29.7
301.07355	1.6
302.04752	1.2
302.08008	6.2
316.06003	0.7
330.07614	14.5
334.06845	1.0
344.05551	0.8
358.07001	3.0
362.06662	1.0
376.08163	30.4
377.08746	1.6
386.06638	10.1
387.07129	0.6
390.09778	3.6
404.07495	0.7
418.09247	27.8
419.09692	1.1
436.10321	100.0
437.10611	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	435.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.4
57.07066	4.1
59.47045	1.6
59.50962	1.7
65.81938	1.8
67.05492	7.9
69.03447	1.7
69.07080	10.4
69.59138	13.0
79.05493	4.9
81.07063	25.2
83.08609	5.8
84.08148	3.8
89.06030	3.9
91.05476	11.1
93.07047	15.8
95.04972	5.3
95.08612	20.7
97.10168	2.6
105.07043	30.4
107.08602	11.7
109.10169	16.8
113.00019	19.7
117.07001	2.7
119.08584	34.3
121.10159	10.7
123.08044	1.9
123.11700	8.5
131.08556	9.0
133.08603	2.9
133.10106	12.5
135.11635	2.5
143.08591	3.6
145.10152	12.2
147.11690	35.6
149.13208	2.8
152.10774	3.0
153.05502	2.0
157.10158	3.9
159.11646	8.6
161.13261	12.4
163.11215	1.7
169.02649	17.8
169.13380	7.6
171.11803	2.4
173.13248	2.1
175.14792	2.1
185.13274	1.8
187.14835	11.1
199.14748	1.8
200.56708	1.8
201.16429	1.9
203.17966	100.0
204.18265	3.7
212.20161	1.7
215.14351	3.1
217.12352	2.2
219.13902	2.4
231.13834	2.3
233.15359	8.5
377.79092	2.3
381.97986	2.1
417.37289	3.0
435.32648	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	435.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80225	2.4
53.03965	4.4
53.37657	2.4
54.95355	2.3
55.05525	15.9
57.07072	6.0
65.03925	4.3
67.05505	31.9
69.07078	39.9
70.25803	9.8
71.08623	3.3
79.05506	24.9
81.07064	93.0
83.08608	14.7
91.05490	32.3
93.06467	4.9
93.07053	71.2
95.04995	7.1
95.08613	60.0
95.09233	2.6
97.10175	9.1
98.21483	3.3
101.63814	2.6
105.07043	54.7
106.64236	2.8
107.08607	61.0
109.06539	5.5
109.10165	35.3
111.08099	4.1
111.11736	3.2
115.05425	2.5
117.07039	13.6
119.08581	42.8
121.06525	3.6
121.10145	42.4
123.08092	2.6
123.11729	20.4
125.05952	2.4
128.06322	2.8
129.07005	11.3
131.08571	32.0
133.10144	25.8
135.11684	31.1
137.13243	6.4
139.07541	8.1
141.06981	3.9
142.07809	3.4
143.08563	17.8
144.09354	4.7
145.10132	30.9
147.11694	20.4
149.06013	3.9
149.13271	12.7
153.05467	3.6
153.09172	4.1
155.08574	9.4
156.09271	3.8
157.10141	21.2
159.08087	3.5
159.11723	39.6
161.06035	3.2
161.13293	34.8
163.14841	29.8
167.10744	2.9
169.10188	10.2
171.11737	10.8
173.13307	11.5
175.07553	2.6
175.14859	6.6
177.09177	6.1
181.10149	6.1
183.11726	12.1
185.13240	12.0
187.11240	4.2
187.14810	16.2
189.09135	3.8
189.12714	3.5
189.16386	5.9
191.10767	8.0
191.17979	3.1
193.10162	3.1
195.11763	8.0
195.13959	2.3
197.13263	8.7
198.14180	3.1
199.14883	12.4
201.12712	3.0
201.16444	7.4
203.14531	2.5
203.18004	14.3
207.11777	3.0
207.13795	3.8
209.13260	6.7
211.14879	8.1
213.16457	8.3
215.14407	3.6
215.17990	4.1
217.12392	5.1
217.15948	3.6
223.14919	7.4
225.16414	6.5
227.18018	7.1
229.12294	3.7
233.15373	3.7
237.16402	7.1
239.17986	6.9
241.15952	3.2
243.13834	3.6
245.15393	5.9
249.16513	2.6
253.19542	6.2
265.19482	6.8
267.21115	9.3
271.16782	4.5
273.18521	19.9
291.86847	2.6
293.22769	3.2
295.24350	2.9
297.18683	2.5
299.20361	3.5
305.22748	2.5
307.24283	7.5
311.20328	4.9
321.25720	3.5
325.21545	3.1
333.25812	3.8
337.21811	2.8
339.23364	3.4
351.23557	2.7
353.24850	5.2
379.26120	5.0
389.31790	23.4
391.33630	6.6
402.31784	2.6
407.33209	3.5
417.33710	18.8
435.32697	100.0
436.32693	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3262
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05507	13.4
57.07054	6.7
67.05505	27.2
68.77151	4.6
69.07061	22.0
71.55721	7.7
76.59444	4.9
79.05492	19.1
81.07076	53.4
83.08625	11.3
89.06038	8.1
91.05477	24.2
93.07050	32.8
94.49525	5.7
95.04993	9.0
95.08604	41.6
97.10153	6.8
105.07050	35.8
107.08609	34.3
109.06516	7.4
109.10155	25.7
117.07030	13.4
119.08600	34.7
121.10151	22.0
123.07959	5.1
123.11714	6.9
128.43121	4.9
129.07025	11.6
131.08586	19.9
133.08664	6.8
133.10118	18.6
135.11694	10.8
136.56717	5.0
137.13225	7.1
143.08592	9.5
145.10123	21.1
147.11707	14.2
149.13281	19.0
155.08521	11.4
157.10143	13.4
159.11653	26.4
161.13268	23.2
163.14891	7.8
169.10168	11.3
171.11722	13.1
173.13280	11.5
175.07516	10.9
175.14830	6.3
181.10146	6.5
181.22845	5.1
183.11696	13.6
185.13297	7.2
187.14803	11.9
197.13217	8.6
199.14900	13.6
201.16455	6.0
203.17966	7.0
209.13246	7.9
211.14841	11.1
213.16252	8.2
213.77306	4.9
215.33664	5.4
223.14648	4.8
224.15202	5.3
225.16386	9.5
227.17947	7.4
229.19550	4.9
237.16425	9.5
239.17906	11.1
245.15257	4.9
255.17577	6.4
265.19537	10.5
267.21011	7.9
273.18445	6.4
339.23172	9.4
347.27240	7.7
389.32034	42.6
407.33221	6.7
417.32422	10.7
435.27539	7.1
435.32724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03930	3.9
55.05500	10.3
57.07070	9.7
60.03461	3.4
67.05511	17.1
69.07059	13.6
71.08639	7.2
71.56935	4.4
79.05516	18.3
81.07066	48.4
83.08589	5.6
89.06023	14.0
91.05493	19.5
93.07053	30.1
95.04945	5.4
95.08603	33.2
97.10172	4.8
105.07034	62.8
107.08590	25.3
109.06490	9.5
109.10151	27.5
112.99999	15.5
115.05484	3.3
117.07018	14.7
119.08585	33.4
121.10136	15.1
123.11703	10.1
129.06998	5.7
131.08585	15.5
133.08624	5.6
133.10104	16.7
133.92848	3.5
135.11728	7.4
143.08551	8.2
145.10127	17.0
147.11690	11.1
149.13225	4.9
155.08559	7.0
157.10132	7.6
159.11682	15.8
159.55023	3.2
161.06020	5.2
161.11981	6.3
161.13271	100.0
161.14609	5.9
163.14833	18.8
166.73486	3.2
169.02606	10.7
171.11694	5.0
173.13266	5.1
181.87878	3.5
183.11670	4.7
185.13271	7.0
187.14801	11.6
189.09120	4.0
189.16396	4.0
197.13313	7.5
203.17969	15.0
215.14307	3.5
219.13777	3.7
229.19579	5.7
233.15376	6.2
239.17795	3.9
273.18481	10.3
275.19998	6.2
279.21219	4.4
389.32098	9.9
417.32300	4.7
435.32635	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	435.3261
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03938	3.4
53.17556	1.4
55.05508	8.5
55.81443	1.4
57.07066	1.9
63.47891	1.3
65.03932	1.4
67.05507	17.6
69.07072	14.5
70.88012	1.8
70.88325	2.3
71.08640	1.9
72.90910	1.5
79.05121	1.6
79.05499	16.5
81.07059	53.0
82.07398	1.5
83.04982	1.5
83.08620	6.7
83.58970	1.6
91.05481	22.8
93.07042	29.8
95.04953	3.1
95.08047	2.2
95.08604	23.0
97.06536	2.1
97.10149	2.4
103.05471	1.7
105.07036	67.1
107.08610	30.4
109.06525	2.6
109.10161	21.1
111.11654	1.6
113.00031	2.4
115.05426	1.6
117.07040	14.2
119.07800	3.0
119.08589	41.0
121.10148	20.1
123.11691	10.5
128.06194	2.0
129.06995	6.8
130.07765	1.7
131.08563	18.1
133.10133	20.0
135.08057	2.3
135.11722	9.8
137.13284	1.8
141.06978	2.8
142.07698	1.8
143.08553	10.4
145.06589	1.7
145.10127	17.4
147.07977	2.0
147.11700	12.5
149.09593	1.5
149.13232	5.4
151.07486	1.8
153.05487	3.0
155.08554	4.9
156.09384	2.6
157.10138	11.7
159.11697	19.1
160.12079	1.6
161.05975	4.8
161.09637	5.3
161.13263	100.0
162.13611	1.5
163.07521	3.4
163.11174	1.9
163.14832	16.2
169.10118	3.9
171.08066	1.8
171.11696	9.3
173.09627	4.0
173.13284	7.6
175.07516	4.8
175.11220	1.7
175.14815	2.8
177.09195	2.4
181.10072	1.7
183.11703	6.0
185.09608	2.6
185.13223	5.8
187.14847	10.8
189.09058	5.1
189.16391	3.1
191.10614	2.8
195.11662	2.9
197.13258	5.4
199.14890	5.6
201.16412	7.4
203.17982	11.1
211.14787	2.3
213.16385	3.0
215.10861	1.8
215.17961	2.1
217.12198	1.7
219.13910	1.9
223.14790	3.3
225.16379	3.2
227.17957	4.2
229.12271	2.7
229.19543	3.4
231.13818	2.5
233.15369	3.6
235.14781	2.5
237.16487	2.1
239.18019	2.9
245.15366	1.9
253.19530	2.8
255.17455	2.3
271.16931	2.7
273.18451	8.7
275.20096	3.2
279.21033	4.0
299.20346	1.5
311.20105	2.0
325.21683	1.8
347.27603	2.6
353.24622	2.0
379.26318	1.5
389.27841	2.3
389.28699	1.5
389.32059	9.4
391.33838	2.9
417.31522	6.3
435.32840	40.6
435.81723	1.5
436.32739	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68127	0.5
57.03432	0.7
64.44026	0.5
69.03435	1.2
70.81094	1.5
71.05000	4.6
81.03408	0.9
85.02920	6.8
97.02900	0.9
97.73698	0.5
107.04938	0.7
109.98409	0.6
113.28040	0.6
123.04438	1.9
127.03925	100.0
128.04288	0.9
129.05516	0.8
163.04083	0.6
168.99451	0.7
273.18164	0.8
289.09149	5.4
435.11493	0.8
435.18384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13969	3.6
55.05515	32.8
57.03435	9.4
67.05510	60.7
69.07079	36.1
70.34883	8.9
70.35241	8.0
79.05501	30.2
81.07064	73.4
83.08621	14.7
85.06514	6.8
85.99136	4.2
91.05485	18.4
93.07048	33.8
95.04998	5.2
95.08610	65.8
97.06535	6.8
97.10153	7.7
97.92040	4.5
98.98467	76.9
105.07044	33.3
107.08595	25.8
109.06535	5.4
109.10172	29.1
111.11762	4.9
117.07064	9.1
119.08597	33.5
119.50612	4.1
121.10140	20.8
123.11690	15.3
129.06999	5.3
131.08580	16.5
133.10133	18.2
135.08014	5.5
135.11691	10.0
136.82491	4.9
137.13277	5.4
142.07800	8.5
143.08563	10.2
145.10147	18.9
147.11687	17.0
149.13223	10.4
155.01057	21.0
155.08539	5.9
157.10143	11.8
159.08025	5.0
159.11696	27.3
161.13258	11.6
163.14867	7.4
164.81604	3.9
169.10083	5.3
171.11751	8.4
173.02107	9.9
173.13292	5.8
175.14777	5.7
177.12801	5.7
183.11678	6.7
185.13297	7.1
187.14693	4.9
197.13139	5.4
199.14822	8.8
201.12927	4.7
201.16405	7.7
218.43222	4.4
230.82378	4.1
241.19504	5.7
245.22620	7.5
263.23761	22.0
316.67493	4.5
337.27374	100.0
435.28714	18.3
435.33344	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	435.2511
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.88369	5.7
55.05508	23.1
57.03438	13.1
57.07077	12.6
58.55179	5.9
67.05513	82.8
69.07072	33.4
71.01254	12.8
71.01588	7.3
77.34962	5.6
78.01889	6.0
79.05499	38.4
81.07068	100.0
83.08628	25.4
91.05524	33.8
93.07069	45.9
95.04977	11.5
95.08609	75.6
97.06548	8.0
97.10201	11.7
98.98478	95.2
105.07044	49.8
107.04932	7.0
107.08604	28.1
109.06553	11.0
109.10155	35.4
117.07059	11.7
119.08598	48.5
121.06505	6.8
121.10118	30.7
123.08152	9.3
123.11723	19.8
128.06232	7.3
129.07013	10.9
131.08562	21.8
133.10141	21.9
135.08015	7.4
135.11716	19.3
137.13283	7.8
143.08548	18.7
145.10133	33.2
147.11688	20.7
149.13226	8.6
151.11118	7.4
151.14777	7.3
155.01030	56.5
155.08528	10.5
157.10185	22.7
159.11755	44.5
159.58676	5.9
161.13210	14.1
163.14859	6.9
165.06947	6.4
169.10091	10.9
171.11676	15.1
173.02283	8.7
173.13286	16.0
175.14856	10.4
183.11748	14.3
185.13339	13.9
185.25349	7.2
187.14876	13.8
189.16428	12.2
189.86023	6.9
195.11639	10.6
199.14838	10.6
201.16492	10.6
203.17937	8.1
239.17996	11.5
245.22682	18.8
263.23703	41.8
337.27377	56.5
399.32788	8.9
417.32394	10.4
435.18915	7.7
435.27905	30.3
435.33093	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0925
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.12650	0.5
52.19444	0.4
57.03447	0.7
58.88212	0.4
58.98549	0.4
61.02920	1.1
70.69116	0.6
70.69454	1.1
73.02923	12.3
81.03383	0.5
93.03387	0.4
97.53220	0.4
103.05481	0.5
107.04930	0.6
109.02854	0.7
111.00802	0.7
115.03983	0.6
118.01036	0.5
121.02859	1.3
123.04424	0.6
137.02371	3.2
149.02423	0.7
153.01851	4.7
157.06462	0.5
161.05957	0.7
163.03900	1.1
163.07481	0.5
165.01868	2.6
167.07016	2.4
173.06024	0.9
181.04984	0.9
181.08621	1.1
183.02914	0.8
188.73651	0.5
189.09100	1.1
201.05473	1.8
205.04968	0.6
223.07661	0.6
229.05002	4.3
233.08179	1.4
247.06094	0.6
257.04477	3.0
274.04819	0.7
276.11401	0.4
285.03986	1.6
285.10999	0.6
303.05011	100.0
304.05240	2.3
319.85016	0.5
360.15668	0.7
361.16415	0.8
371.03552	0.5
417.15369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1262
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
57.03447	2.5
69.03411	5.0
70.06580	4.1
71.54909	2.4
71.55254	2.8
73.02905	2.2
81.04497	2.0
84.54838	2.3
85.02925	12.7
97.02869	6.9
100.80951	2.1
101.00901	2.5
107.04891	3.1
107.72312	2.0
110.06043	3.0
116.06990	2.2
119.01907	4.5
123.04414	3.8
125.07106	4.7
127.03953	11.1
127.04679	2.2
129.04021	2.8
136.78059	2.3
143.01839	4.4
143.08110	4.7
147.04997	2.4
152.93015	2.0
154.03709	2.0
155.01900	3.4
157.03423	5.1
161.02855	4.0
171.05083	3.1
173.02902	3.6
185.02946	3.4
189.05968	9.6
203.03967	5.0
213.05823	3.0
241.15350	3.7
245.04936	3.1
252.42628	2.6
255.13316	2.5
273.17978	6.8
291.09515	4.4
296.62033	2.7
309.10281	3.0
315.09332	2.9
333.10242	4.8
337.09604	2.6
351.11188	4.6
373.14374	7.5
435.12891	100.0
435.23682	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03441	5.7
61.02928	4.5
64.17706	1.0
68.99797	1.3
69.03431	8.9
70.09197	4.2
71.95574	0.9
73.02555	1.5
73.02924	21.1
79.05495	1.7
81.03410	2.6
81.67827	0.8
85.02908	21.3
87.04454	1.2
87.88171	1.0
88.88903	0.9
91.05467	1.5
95.29020	0.9
97.02285	1.2
97.02903	17.3
99.04467	1.2
102.08104	1.0
103.05449	0.9
104.34340	1.0
105.07034	67.2
107.08604	1.0
109.02879	3.2
109.36480	0.9
115.03919	9.5
119.04934	3.2
119.08578	3.1
120.05261	2.0
121.02880	8.7
122.03209	3.4
123.00816	0.9
127.03917	7.4
131.08560	1.5
133.04985	5.9
141.01825	2.3
143.08525	1.7
145.02870	1.8
145.04970	8.7
146.03259	1.2
147.08046	3.1
150.02660	1.3
150.07617	1.1
159.08075	2.0
163.03925	3.4
163.06052	4.4
164.04268	1.2
165.01845	13.7
166.02159	8.5
167.03421	3.1
168.03711	1.2
171.08043	1.2
177.01826	1.2
183.02896	3.7
184.03249	3.3
188.04308	1.2
195.02867	1.3
196.03307	1.1
214.05951	1.1
219.10269	2.4
223.05916	1.3
240.07349	1.5
241.07074	1.6
244.03232	1.4
256.06796	1.2
257.07645	1.1
259.08136	1.7
267.06491	2.7
268.06888	8.8
270.05222	2.1
271.05933	4.7
272.06378	5.5
280.06970	1.7
281.07950	1.5
282.08426	8.7
283.06024	35.4
283.09042	2.0
284.06360	100.0
285.07047	13.4
295.05969	3.5
296.06360	12.0
296.10037	2.8
297.07434	1.0
298.04794	1.1
298.07944	3.1
306.08405	2.7
308.06454	3.0
309.07507	6.5
310.04413	2.1
310.07913	22.5
313.07047	19.1
314.07410	71.3
315.07510	2.0
322.08020	4.1
323.09116	2.6
324.05887	1.9
324.09476	18.6
330.91953	1.0
334.07800	4.6
337.07101	5.2
338.07422	41.2
339.07568	1.1
349.06689	1.3
350.07382	14.5
352.09064	4.7
362.07422	12.1
367.08264	1.6
368.08481	24.1
380.08487	25.9
398.09518	28.6
416.10602	16.3
434.11536	6.1
446.62424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96135	1.4
57.03442	10.5
62.02027	1.1
65.25688	1.2
69.03440	3.1
69.38882	1.1
69.66226	4.2
69.66635	4.1
71.04996	71.4
73.02902	2.3
75.04478	5.1
83.04539	1.1
83.04974	6.3
84.24464	1.3
85.02908	100.0
87.04466	2.1
91.05485	20.7
97.02877	7.1
99.04438	2.3
105.07027	1.5
107.04966	15.6
111.04434	5.5
115.05427	1.4
117.07054	1.4
123.04423	3.9
127.03902	4.7
129.05487	39.4
129.06975	1.9
133.06447	2.7
143.04973	3.4
145.04993	3.8
145.06503	2.4
147.06517	20.9
158.25336	1.3
161.05986	3.0
164.07079	3.5
164.09230	6.3
175.07596	1.7
209.09619	1.7
240.34737	1.5
252.96753	1.5
255.10158	4.9
272.12823	9.0
434.18134	21.0
435.18494	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50344	1.6
55.01856	6.8
57.03442	15.4
61.02926	12.7
69.03085	1.8
69.03431	27.1
69.62540	9.2
71.01357	2.5
71.04984	11.8
73.02927	70.8
73.08182	1.5
77.16754	1.6
77.76871	1.5
81.03392	4.9
83.00737	1.9
83.04979	1.6
85.02911	100.0
87.04447	4.2
91.03922	2.1
91.05470	4.8
93.38631	1.7
95.96411	1.8
97.02900	49.0
99.04441	5.0
105.06383	2.8
105.07038	30.7
106.07370	1.6
109.02927	10.7
109.03553	2.9
111.04433	1.7
115.03933	27.1
119.08543	2.4
123.04469	1.7
124.07625	2.6
127.03927	27.9
129.05487	6.2
133.04976	30.6
133.06470	1.8
145.04970	44.8
147.06497	2.4
150.07626	4.6
163.06021	19.6
189.09172	2.4
201.09119	6.8
203.82886	2.0
219.10078	3.2
223.05952	4.1
241.07089	5.0
255.12231	2.0
259.08139	8.7
260.43094	1.7
279.45383	2.2
282.79773	1.7
285.13321	4.8
295.10156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01873	1.4
57.03186	1.9
57.03444	25.5
57.03727	1.1
61.02934	15.6
69.03086	2.2
69.03436	34.1
70.62459	1.1
70.69106	3.8
71.01337	2.5
71.05001	2.0
73.02497	2.1
73.02925	58.8
81.03419	5.4
85.02914	100.0
85.45978	1.1
87.04460	7.7
91.03967	4.5
96.04454	1.4
97.02904	55.0
99.04464	4.3
103.03967	1.5
105.07040	14.2
109.02892	6.4
111.04225	1.2
115.03939	43.2
118.01543	1.2
127.03931	27.5
128.04262	1.3
132.06602	1.3
133.04977	18.1
140.30368	1.3
145.04973	46.1
147.08038	2.4
150.07617	4.7
163.06055	23.7
180.08701	2.1
201.09160	2.4
204.08459	1.5
222.46487	1.2
223.06065	4.8
228.86353	1.2
241.07083	4.0
249.11287	2.4
259.08084	3.0
272.96487	1.3
285.13470	7.0
295.10287	4.6
302.15976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1812
Annotation	Naamidine D
Peak:m/z	Relative Intensity
53.03936	1.2
55.01859	0.8
57.03429	2.1
57.65053	0.6
61.02918	2.2
65.00974	0.6
66.48507	0.6
69.03436	6.3
69.65298	3.2
70.06599	0.9
71.04985	0.8
73.02917	1.6
81.03419	1.9
85.02912	9.5
87.04469	1.3
91.04008	0.7
91.05497	1.7
95.04958	0.9
97.02915	3.9
99.04473	0.8
103.05511	0.8
105.07037	1.2
107.04963	89.6
108.02742	0.6
108.05302	0.7
109.02883	1.6
109.33914	0.6
115.05466	7.1
117.07007	1.2
119.04976	0.8
121.06521	3.7
123.04432	14.2
127.03902	2.8
131.04935	2.0
133.06508	1.4
135.04398	1.2
137.05966	1.3
143.04936	17.1
145.04929	0.7
145.05302	0.7
145.06506	8.5
149.05989	1.6
155.06079	0.7
157.40858	0.7
161.06004	17.1
164.07079	7.2
191.08638	1.8
194.07347	0.8
209.09641	3.8
219.08141	1.2
226.06197	1.2
237.09010	3.5
240.07950	1.1
255.10182	40.2
262.38663	0.6
272.12827	49.5
297.11148	0.7
349.21625	0.7
434.18134	100.0
435.18491	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12770	1.5
55.05496	4.7
57.07066	3.5
67.05492	5.2
69.07066	7.8
71.08619	1.5
71.55252	1.9
79.05495	4.6
81.07059	14.4
83.08640	2.1
91.05490	5.1
93.07051	9.3
95.08623	8.2
103.05502	1.8
105.07044	21.4
107.08595	8.0
109.10176	9.4
115.05467	1.7
119.08602	29.6
121.10125	3.6
123.11701	6.5
129.06953	3.9
131.08582	4.0
133.10133	11.5
135.11737	2.8
142.07796	2.9
143.08588	9.2
144.09348	2.7
145.10129	6.5
147.11694	28.0
151.07578	4.3
155.08578	3.0
157.10158	11.1
159.11716	17.3
161.13264	7.2
169.10146	1.8
170.10886	3.0
171.08017	2.9
171.11681	3.0
185.13319	13.0
189.09062	1.6
195.11742	7.3
201.16313	2.3
201.29500	1.7
203.17973	100.0
211.87444	1.5
213.12720	8.7
231.13837	4.6
283.05988	1.9
353.24573	3.5
362.59741	1.9
433.31033	9.2
450.24365	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12725	3.8
53.03946	11.4
55.05513	40.4
57.07079	20.1
60.55522	4.2
65.03952	4.5
67.05508	46.0
68.15810	4.3
69.03418	5.8
69.07076	66.0
70.82693	11.5
71.04990	5.2
71.08633	14.8
79.05495	31.9
81.07063	100.0
83.04982	9.5
83.08625	44.2
85.10181	11.7
85.99506	3.9
91.05492	35.6
93.07060	60.8
95.04951	8.5
95.08608	93.3
97.06540	7.5
97.10210	21.7
99.04452	15.1
105.07043	50.7
107.04975	8.8
107.08611	56.4
109.06500	10.4
109.10165	60.7
111.04474	9.2
111.08078	6.3
111.11759	8.9
113.00043	11.6
113.06041	5.5
115.05516	4.7
117.07028	21.7
119.08590	56.0
120.96607	6.1
121.10149	40.3
123.08040	8.3
123.11717	31.2
125.05986	11.6
125.13284	5.6
127.03909	24.5
129.07014	14.1
130.07800	6.0
131.08594	28.1
133.10152	26.5
135.08044	8.4
135.11696	28.4
137.05983	14.9
137.09630	8.4
137.13258	12.2
139.03870	4.7
141.07014	5.8
142.07803	11.4
143.08539	20.5
145.10158	42.4
147.08096	7.8
147.11684	18.3
149.09651	6.2
149.13239	19.9
151.14832	7.9
153.05470	7.0
155.07182	4.3
155.08545	12.6
156.09280	5.9
157.10147	24.0
159.08080	6.8
159.11682	45.1
161.09651	11.3
161.13287	21.6
163.11235	7.9
163.14816	12.7
165.09163	4.8
169.02652	5.0
169.10114	13.2
171.11694	18.0
173.09624	7.4
173.13289	12.5
175.11211	11.9
177.09169	6.4
177.12753	7.0
177.16414	4.9
179.08572	5.7
179.10703	7.5
181.10161	5.9
183.11729	16.6
185.13286	19.0
187.11174	9.8
187.14880	13.6
189.09125	6.0
193.08601	5.1
193.10150	6.6
195.10063	5.2
195.11716	9.0
197.13243	10.1
199.14847	13.4
201.16370	10.4
203.18095	4.7
205.12256	7.2
209.13330	8.4
211.09572	8.6
211.14894	8.6
213.12836	5.8
213.16425	5.4
215.10605	5.2
215.14409	7.2
215.17931	8.3
223.14920	5.4
225.16324	6.1
227.14142	5.7
229.12283	5.7
229.19398	5.3
231.13934	5.7
235.14838	8.2
237.16341	7.5
261.25790	5.4
263.27380	15.2
265.19577	5.3
271.17087	5.9
283.05905	10.7
289.28793	5.6
291.21057	6.9
305.28384	7.4
313.27374	13.0
387.30447	19.9
397.31039	12.6
415.32187	38.7
433.22931	10.6
433.31277	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
59.92265	1.1
59.92578	1.0
67.05506	6.4
69.07062	4.1
71.56755	1.6
79.05494	4.6
81.07067	15.7
81.49786	1.2
83.08654	1.5
91.05483	8.9
93.07053	9.1
94.34720	1.2
95.04994	1.3
95.08620	13.5
97.10148	1.5
105.06383	2.3
105.07047	29.3
107.08602	7.9
109.10154	12.6
117.07022	4.5
119.08584	26.1
121.10162	6.6
123.11711	6.4
128.06174	1.3
129.07037	4.6
131.08617	11.2
133.10144	11.9
135.11714	1.6
141.07050	1.2
142.07797	4.0
143.08574	11.4
145.10126	9.4
147.11694	24.9
151.07411	1.5
155.08618	3.0
157.06514	4.7
157.10170	10.6
159.11708	22.6
161.13261	7.5
165.06972	3.0
169.10155	1.3
170.10939	1.4
171.08054	2.2
171.11742	3.1
173.13310	1.6
175.07544	2.3
176.94168	1.4
180.09325	3.4
183.11700	2.2
185.13264	15.8
187.14806	1.7
189.09117	1.6
195.11684	9.7
201.12724	1.3
202.99501	1.2
203.17973	100.0
204.18353	2.6
213.12791	5.1
215.17865	2.4
231.13786	7.9
273.18457	1.6
302.33566	1.2
351.23325	1.5
377.24976	1.8
415.30286	1.5
433.31113	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	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58794	0.9
53.03955	1.4
53.26783	0.9
55.05508	6.3
57.07077	4.2
63.90458	0.9
64.01423	0.9
67.05503	10.0
69.07067	8.4
70.94556	1.6
71.08624	1.4
74.12524	0.8
79.05499	10.7
80.52510	0.8
81.07059	30.8
83.08632	4.2
91.05480	18.0
91.06002	1.2
93.07050	22.7
95.04985	2.7
95.08607	22.5
97.10180	2.1
105.07034	41.5
106.07348	1.5
107.04980	1.3
107.08595	22.5
109.10153	10.3
111.08089	1.2
115.05448	1.4
117.07012	15.4
119.08588	27.4
121.06543	1.5
121.10136	13.9
123.08061	1.2
123.11707	3.5
127.03931	1.4
128.06230	1.9
129.07018	8.4
130.07773	6.1
131.08566	31.2
131.09518	1.8
132.09274	1.0
133.06584	0.9
133.10150	13.1
135.11673	4.3
137.06038	1.0
139.07539	1.4
141.06967	2.0
142.07782	5.3
143.08562	10.6
143.36031	0.9
144.09343	4.0
145.10127	75.8
146.10619	1.5
147.08087	1.7
147.11679	16.5
149.09702	1.2
149.13281	2.7
151.07527	1.6
155.08549	5.4
156.09360	1.6
157.06516	2.2
157.10133	14.4
158.10928	1.8
159.08104	3.1
159.11697	57.0
160.12096	1.5
161.09665	1.8
161.13264	19.7
163.07593	1.9
163.14828	2.8
165.07030	2.2
165.09152	1.0
166.07512	1.0
167.08643	1.3
168.09306	1.4
169.02658	1.2
169.10106	6.0
170.10840	1.7
171.08015	1.2
171.11755	6.0
173.09669	2.0
173.13258	10.0
175.07657	1.5
175.14804	1.4
177.09151	1.8
179.08644	1.7
179.10577	0.9
180.09341	2.4
181.10130	2.9
182.10814	1.6
183.11705	4.7
184.42924	1.0
185.13239	10.9
186.13907	1.2
187.14835	21.2
189.16429	1.9
195.11676	6.8
197.13248	5.8
199.11191	1.4
199.14868	3.5
201.16386	100.0
202.16699	1.6
203.10641	1.0
203.17969	11.4
205.15894	1.7
206.10936	1.0
209.13263	1.3
211.14868	2.5
213.12706	1.4
213.16385	5.3
215.14354	5.9
215.17993	3.2
217.12312	1.4
219.13762	1.1
223.14920	1.6
225.16441	1.2
227.18071	2.8
231.13878	4.0
233.15338	11.1
237.16464	1.6
239.18053	1.0
243.13789	1.2
255.17535	1.2
265.19449	1.3
269.15540	1.5
271.16901	3.4
273.18576	1.9
277.19556	1.1
283.06119	1.1
283.16907	1.0
293.22742	1.1
313.06992	1.1
377.24863	1.4
387.30515	4.3
389.31754	1.8
415.30048	2.4
418.91391	1.0
433.23444	3.3
433.31116	40.9
434.31143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.05502	8.8
55.57529	2.0
57.07099	4.9
67.05512	23.2
69.07072	21.9
69.23104	23.7
78.91448	2.2
79.05497	23.1
81.07063	65.8
83.08611	7.2
84.30092	1.9
90.14585	1.8
91.05491	32.0
93.06472	3.6
93.07050	51.3
95.04980	4.9
95.08611	30.2
97.06516	3.5
97.10183	2.5
98.21127	10.8
105.07038	60.7
107.08607	40.7
109.06483	2.9
109.10155	23.1
113.00028	72.8
115.05505	2.6
117.07012	23.2
118.31961	2.1
119.04934	2.0
119.08591	53.2
121.06493	2.5
121.10147	22.9
123.11710	15.5
123.46655	2.2
128.06200	2.2
129.07011	11.4
130.07802	4.0
131.08571	33.4
133.10138	22.7
135.11688	40.1
137.05911	3.9
141.07069	3.0
142.07788	8.5
143.08554	16.4
144.09355	4.3
145.10138	31.7
147.11708	17.0
149.05902	3.2
149.13235	6.8
155.08531	8.1
156.09323	3.5
157.10123	32.3
159.11708	100.0
160.11996	2.9
161.09558	3.1
161.13272	38.2
163.11208	2.1
163.14883	3.7
167.08543	6.0
168.09451	3.0
169.02625	75.6
169.10115	11.0
171.11723	14.1
173.09685	3.4
173.13269	7.6
175.11153	4.2
175.14822	2.8
177.09093	4.3
181.10130	4.7
182.10991	3.7
183.11682	10.1
185.13275	11.7
187.14835	8.6
189.16405	4.7
191.10661	5.1
193.10234	3.6
195.11705	8.6
197.13205	11.2
199.14822	9.8
201.16429	7.7
203.17938	4.6
205.12198	3.3
207.11754	4.9
209.13264	9.0
211.15019	5.1
213.12860	2.6
213.16386	2.8
215.18045	2.8
215.54437	2.3
217.12315	3.4
223.14815	4.4
223.23677	2.3
225.16486	4.0
227.17815	5.2
229.12100	2.5
229.19499	3.3
231.13884	3.9
236.15462	2.1
237.16293	3.4
243.21236	2.6
243.96719	2.6
249.16373	3.2
251.18027	11.0
253.19542	4.6
255.13957	2.4
255.17592	3.5
257.15323	2.1
257.19031	4.9
263.18021	5.2
265.19586	4.6
271.17038	3.9
273.18491	11.3
279.21036	2.5
297.18555	4.7
305.22668	2.5
319.24371	3.6
353.24985	4.3
365.24872	2.5
377.24722	4.9
387.30502	13.4
389.32260	5.6
391.26315	2.7
415.30188	5.1
433.31116	60.7
434.31430	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	433.3104
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03940	1.5
55.05513	6.8
55.59901	1.4
57.07065	2.5
62.27793	1.2
67.05521	13.4
69.07070	8.0
71.07587	1.9
79.05496	8.7
80.87897	1.2
81.06586	2.4
81.07061	35.2
83.08617	3.1
91.05476	9.5
93.07042	16.1
95.08612	32.8
97.06542	3.0
97.10233	3.2
105.07043	14.4
107.08614	16.5
109.06506	2.7
109.10162	12.4
113.00024	2.4
116.48067	1.3
117.07053	3.9
119.08579	12.8
121.10162	9.2
122.62373	1.3
123.08016	1.7
123.11753	3.5
128.06284	1.7
129.07013	3.1
131.08582	12.3
133.10147	5.9
135.08090	1.8
135.11708	4.0
141.07027	2.1
142.07832	3.8
143.08617	6.8
145.10115	21.7
147.11710	5.9
149.09645	1.7
149.13254	10.8
151.14825	2.9
155.08577	7.5
157.10159	12.1
159.11705	15.3
161.13274	10.4
161.93152	1.4
163.14832	5.7
163.29976	1.3
168.09390	1.5
169.10176	8.5
171.11720	8.0
173.13312	5.3
175.07574	1.6
175.14874	3.4
177.16374	3.1
178.92017	1.3
179.08655	2.2
179.14362	1.6
181.10132	7.0
183.11685	8.8
185.09624	1.8
185.13290	6.0
187.14978	1.7
189.09204	3.7
193.10196	2.2
195.11707	12.3
197.13289	9.7
199.14857	1.6
201.16492	4.0
207.11736	5.0
209.13295	9.7
211.11351	1.9
211.14839	4.5
213.16513	3.4
219.11732	3.6
220.12526	2.4
221.13274	6.1
223.14777	6.9
225.16422	18.3
227.14378	1.5
227.18018	6.6
229.12256	2.1
229.19524	1.5
233.13283	1.8
234.14091	3.6
235.14935	5.3
236.15540	1.4
237.16373	9.9
239.17984	8.6
243.17441	3.0
249.16423	18.3
251.14360	1.5
251.17981	12.2
253.15932	2.3
253.19606	6.5
255.13934	4.9
255.17435	3.1
257.15387	65.3
258.15820	1.9
259.17096	2.8
263.18082	6.0
265.19595	7.7
267.21051	1.6
271.16922	3.2
275.17813	2.1
276.33603	1.5
277.19598	5.2
279.21097	2.8
283.16882	4.0
289.19672	2.9
291.21133	5.1
293.22485	2.3
295.16919	2.0
305.22803	5.4
309.18738	3.7
317.22458	2.9
319.23907	2.1
331.24380	1.8
345.25708	1.7
351.22940	1.8
387.30524	57.0
388.30722	2.8
389.32047	10.1
390.50693	1.6
405.31671	8.6
415.30066	6.8
433.31110	100.0
434.31326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.5
57.07059	1.7
59.68848	1.3
60.95864	1.5
63.89933	1.6
65.03945	2.2
67.05503	14.4
69.07076	9.9
69.51881	7.1
69.52288	3.2
79.05498	16.1
81.07059	41.8
83.08616	4.7
91.05489	29.2
93.07050	36.2
95.04991	3.0
95.08616	18.7
96.58663	1.6
97.10153	2.1
98.21499	2.7
103.05458	2.5
105.07041	47.4
107.08596	20.7
109.10167	12.4
113.00020	36.8
115.05453	2.3
117.07032	19.3
119.07784	3.1
119.08591	39.1
121.10154	13.7
123.11674	8.1
128.06238	3.8
129.07002	8.9
130.07776	2.5
131.08586	36.1
133.10130	18.3
135.11702	19.6
137.05989	2.2
141.07019	2.7
142.07791	4.2
143.08582	14.4
144.09340	7.7
145.10150	22.9
147.11707	16.2
149.06099	2.0
149.13245	5.2
155.08571	5.2
156.09377	2.1
157.06511	3.2
157.10129	21.7
159.11697	100.0
160.12019	1.7
161.13266	34.7
163.14838	6.0
165.07066	1.7
169.02626	39.7
169.10168	6.0
171.08090	3.2
171.11722	12.3
173.13313	6.8
175.07639	2.2
177.09192	2.1
179.08542	2.1
180.09361	2.7
181.10141	4.6
183.11681	9.8
185.13309	16.1
187.14851	7.6
189.09129	3.2
191.10713	4.5
193.10338	2.1
195.11761	7.0
197.13255	7.9
199.14795	6.6
201.16438	4.9
203.10838	1.9
203.17950	11.0
205.12268	1.7
207.11719	2.5
209.13359	4.9
211.14861	5.8
213.12695	2.4
213.16478	4.2
215.14265	1.9
215.17967	3.0
217.12195	1.9
221.13248	3.2
223.14877	2.9
225.16310	3.6
227.10811	1.9
227.18013	6.8
229.12361	4.3
229.19594	3.5
231.13776	7.3
235.14859	2.6
237.16382	3.7
239.18065	1.8
243.13814	2.7
247.14899	2.0
249.16367	2.2
251.18051	4.5
253.19667	5.3
255.17532	3.5
257.18930	1.7
265.19583	1.9
271.16956	2.4
273.18576	12.9
275.20291	1.8
297.18561	4.0
305.22849	3.7
307.24252	2.3
331.23996	2.5
345.25934	2.7
351.23056	8.3
387.30640	8.9
389.31888	3.9
391.26590	4.4
405.20764	2.3
415.30048	3.7
433.20963	7.4
433.31085	54.6
434.31345	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	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.4
57.07082	2.2
67.05512	16.1
69.07060	9.6
69.76743	11.0
71.08608	2.1
79.05489	19.7
81.07063	35.2
81.60557	2.3
83.08619	6.0
91.05483	31.9
93.07059	25.8
93.65802	2.0
95.08607	23.9
105.07035	50.3
107.08601	17.8
109.10165	14.1
112.99998	3.4
115.05414	4.9
117.07018	26.8
119.08591	31.5
121.10179	13.1
123.11707	4.4
128.06224	5.4
129.07002	15.1
130.07800	2.8
131.08571	46.5
133.10152	21.2
135.11723	9.9
137.13339	2.2
141.07005	4.2
142.07756	6.0
143.08585	19.1
144.09348	5.2
145.10132	20.0
147.11702	14.6
149.13237	3.2
151.07513	9.4
151.22789	2.1
152.07893	3.0
155.08601	7.1
157.10126	17.6
159.11700	100.0
160.12065	3.8
161.13252	40.5
163.07486	3.2
163.14886	2.6
167.08624	3.5
169.10129	6.0
171.11757	13.0
171.74458	2.0
173.13255	8.7
177.09135	3.6
181.10161	3.4
183.11674	7.0
185.13277	20.7
187.14819	15.7
189.16391	2.6
191.10690	3.3
195.11736	8.8
197.13269	4.6
199.14877	4.4
201.16251	10.3
203.17975	20.3
209.13187	2.3
213.12717	3.4
213.16292	2.8
215.17918	2.4
217.12260	3.2
219.11629	2.7
219.13843	3.4
221.09772	2.4
221.13387	4.0
227.17950	7.3
229.12242	4.1
229.19447	4.4
231.13823	6.6
235.14818	2.6
239.17723	2.9
241.12267	2.2
243.21121	2.5
255.17439	5.6
273.18561	8.9
275.20111	2.8
277.19510	4.2
283.26392	6.5
323.19995	6.8
331.24268	4.5
333.25760	5.0
345.25546	2.7
377.24783	7.5
387.30334	9.4
391.26199	5.4
405.31952	2.8
415.30157	3.2
415.35208	11.0
433.31100	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.05516	12.2
57.03447	13.3
57.07068	4.6
58.87861	2.2
60.02132	2.2
65.03947	3.6
67.05507	64.4
69.07059	12.8
71.04980	2.9
71.09811	4.8
73.35556	2.1
75.04501	2.7
79.05055	3.5
79.05496	41.2
81.07059	76.0
83.08604	6.4
85.06547	2.5
91.05482	23.0
93.06474	4.0
93.07045	54.3
95.04972	4.1
95.08613	60.0
97.10171	2.8
98.98474	100.0
98.99126	4.8
99.55991	2.1
105.07034	25.3
107.08601	35.7
109.10170	28.8
111.08095	2.2
117.07030	8.0
117.20940	2.4
119.08594	19.4
121.10139	20.3
123.11709	10.6
129.05571	2.0
129.06982	3.2
131.08572	15.0
133.10104	14.8
135.08031	3.2
135.11697	16.8
137.23735	2.6
143.08510	4.7
145.10135	17.4
147.11667	12.9
149.13278	12.5
151.11198	2.6
154.19267	2.2
155.01045	10.4
157.10147	4.0
159.11707	13.5
161.13268	10.8
163.14824	9.2
171.11678	3.1
173.02135	16.7
173.13283	13.4
175.14807	3.6
183.11723	2.5
185.13318	3.9
187.14745	4.4
199.14784	3.2
201.16377	3.5
243.21066	17.1
256.08972	2.3
261.22116	53.2
279.23096	4.0
283.05862	2.5
317.24936	11.1
335.25809	90.8
364.33820	2.7
433.31155	5.0
436.70703	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.48135	1.5
53.03948	4.2
55.05518	10.0
57.03432	5.5
57.07084	3.0
65.03941	2.1
67.05507	43.6
69.07072	11.5
70.28224	6.1
71.04988	1.6
71.08628	2.1
71.26318	1.9
75.04484	1.8
79.05494	32.6
81.07059	51.4
83.08617	5.4
85.06562	2.8
88.98680	1.6
90.57501	1.6
91.05486	17.2
93.07048	42.5
94.58130	1.9
95.04987	4.2
95.08044	3.5
95.08614	38.4
97.06578	2.9
97.10175	2.2
98.98469	100.0
99.08127	3.2
105.07032	24.7
107.08601	28.9
109.10162	18.2
111.08133	1.5
117.07018	8.2
119.08581	14.5
119.58591	1.8
121.10150	25.5
123.08020	2.2
123.11685	8.3
129.06996	2.7
131.08601	17.7
133.10124	15.0
135.08105	2.2
135.11710	20.6
137.13217	4.0
139.11151	1.8
141.06946	2.2
143.08565	4.2
145.10139	14.2
147.08047	1.8
147.11697	7.5
149.13243	14.7
155.01042	18.6
156.09258	1.9
157.10117	3.9
159.11731	15.9
161.13255	9.2
163.14816	11.0
169.10194	2.8
171.11732	4.1
173.02103	15.7
173.13252	8.8
175.14832	4.0
177.16309	2.3
183.11790	3.7
187.14818	6.1
193.10143	2.6
197.13287	2.4
201.16371	4.6
211.14961	2.2
233.22731	4.2
243.21074	14.2
261.22153	61.7
271.16895	2.8
317.24811	9.4
331.23935	1.5
335.25809	43.5
347.96182	1.7
351.12161	1.6
415.22327	7.4
433.30978	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	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03437	4.0
68.99799	1.0
69.03387	0.8
70.16232	0.8
70.16575	1.6
71.04998	28.0
73.06898	0.6
85.02908	25.0
98.21499	0.6
99.04488	0.8
107.04992	0.6
111.00757	0.6
111.04472	0.5
112.87990	0.6
121.02872	3.6
127.03918	0.5
129.05481	4.9
137.02336	0.8
147.04379	0.8
147.06586	0.6
153.01840	3.8
165.01840	2.2
183.02934	1.0
213.05453	1.5
217.44537	0.6
245.64331	0.5
258.05234	1.0
258.54715	0.5
283.06265	0.9
287.05511	100.0
288.05875	2.2
299.05530	0.7
303.47388	0.5
313.07220	0.7
329.06573	1.8
379.08170	0.9
397.09125	1.5
407.59781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Vitexin
Peak:m/z	Relative Intensity
55.01870	0.9
55.71029	0.6
60.12211	0.6
63.08031	0.6
67.14816	0.7
68.99806	0.9
69.62614	2.2
69.63041	2.1
70.83109	0.6
81.03426	1.6
85.02905	1.3
91.05470	1.3
107.04921	0.8
109.02884	2.1
119.04990	4.7
121.02871	11.8
141.01817	1.5
145.02835	4.2
147.04399	0.9
149.02345	2.6
153.01797	0.8
163.03929	4.7
165.01842	22.3
167.03401	4.7
175.03911	0.8
177.01816	2.3
177.05562	0.7
179.03430	1.1
181.04927	0.8
183.02902	4.9
184.55392	0.7
187.03909	3.0
189.08113	0.7
191.03320	1.5
191.83739	0.7
195.02835	1.7
205.05029	1.3
213.05383	0.9
215.03282	1.1
225.58755	0.7
229.04906	1.7
233.04379	0.7
239.06898	1.7
243.02887	1.3
247.06584	0.6
250.80666	0.6
255.06615	1.9
256.07294	2.0
261.04022	0.8
267.06534	9.4
270.05188	4.3
271.05969	5.7
279.06561	2.0
281.05103	1.1
281.08102	7.4
283.06027	100.0
284.06735	15.9
285.07382	1.1
293.08044	1.2
295.06064	12.4
295.09433	1.4
297.07547	3.9
305.08154	2.2
307.06140	1.5
308.06854	2.1
309.04181	1.3
309.07556	17.6
311.05576	1.9
313.07074	65.3
314.07550	1.9
321.07587	2.2
323.05551	1.7
323.09113	13.1
325.07086	1.1
333.07449	3.5
335.05490	1.0
337.07074	36.1
349.07068	8.5
351.08615	2.8
361.07095	8.2
367.08148	20.8
379.08130	20.1
379.11957	0.6
397.09195	20.5
415.10327	14.2
433.11288	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	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
63.31160	0.1
67.01864	0.5
68.99490	0.1
68.99825	0.3
69.03410	0.2
71.16034	0.2
81.03403	0.2
85.02911	0.1
91.05495	0.5
92.54398	0.1
101.45356	0.1
119.04942	2.0
119.08617	0.1
121.02858	0.6
125.02458	0.1
127.03925	0.3
129.01871	0.2
145.02827	0.6
145.04921	0.1
153.01833	5.1
154.02042	0.1
163.03888	0.7
165.01846	0.1
171.02861	0.5
187.03860	0.2
225.05470	0.4
229.05052	0.4
243.06210	0.2
247.06131	0.2
257.55194	0.1
270.05289	0.1
271.06015	100.0
272.06345	2.5
272.09259	0.1
283.06018	1.3
284.06876	0.2
295.06055	0.2
309.07477	0.3
313.07098	1.0
323.09195	0.3
337.06912	0.5
349.06979	0.2
367.08063	0.2
379.08139	0.3
397.09320	0.3
412.20050	0.1
415.10367	0.1
433.11172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.5
66.13025	3.9
67.00584	3.8
67.05497	10.2
67.49740	3.4
69.03427	7.4
69.07048	6.7
69.94588	12.5
69.94988	5.5
79.05489	5.5
81.07043	8.3
91.05464	14.9
93.07052	13.8
95.04980	5.4
95.08646	9.1
105.07016	30.9
107.08621	26.0
109.10172	18.5
117.07012	7.6
119.08593	98.7
129.05489	4.6
130.36542	3.8
131.08575	8.3
133.10144	100.0
135.08054	21.2
135.11685	4.2
143.08563	8.2
145.10159	4.7
157.10181	8.7
159.11749	8.1
161.06030	5.3
167.08615	4.1
169.10101	9.7
175.11250	5.6
179.08481	4.5
181.10094	14.3
183.11795	7.3
185.13278	7.2
191.24910	4.3
193.10036	8.4
195.11609	6.6
201.08783	4.7
203.10649	6.2
205.10135	7.4
207.11690	7.3
211.11142	6.4
216.09386	5.4
219.11652	5.2
223.14807	4.4
225.09064	6.3
227.10695	11.3
231.11777	6.7
249.09032	4.2
249.16505	4.6
253.12204	5.6
255.00562	4.7
265.12241	8.4
277.12241	32.6
279.13907	5.1
289.19617	4.8
291.13861	13.4
293.15414	6.1
305.15396	16.6
315.21164	4.6
333.22070	7.8
343.20566	5.9
361.21652	51.1
379.22702	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74546	1.6
53.03926	2.0
53.31873	1.4
57.03433	2.1
61.02931	2.1
66.49247	1.5
67.05505	2.8
67.65476	1.6
69.03431	5.4
69.07059	3.0
69.52084	4.3
69.52498	9.4
70.06616	2.7
70.16999	1.9
71.04987	2.1
73.02917	3.1
73.06554	2.7
81.03413	2.3
84.08154	5.6
85.02911	11.7
86.09705	4.6
87.04504	1.7
91.05519	2.8
91.07610	1.6
93.07034	3.4
97.02908	5.5
98.97584	4.4
103.05490	7.7
107.04997	3.7
109.02909	2.9
110.07140	2.3
120.08112	100.0
124.07581	2.3
127.03954	3.9
129.10222	3.9
131.04958	2.7
136.06180	4.2
137.05965	3.6
138.05554	2.3
139.03929	2.1
140.07072	2.4
145.04984	2.9
150.09108	1.6
151.07571	3.6
155.97505	1.5
158.99638	1.8
163.06081	1.6
164.06979	2.0
165.05544	2.7
166.08646	44.3
167.07085	1.9
178.86116	1.5
192.10278	2.2
219.01694	2.6
223.05501	1.6
224.12790	1.8
238.86188	1.5
252.12329	2.3
270.13373	5.4
299.10541	2.2
305.09207	1.8
349.26859	2.1
390.37817	1.5
414.17554	3.3
432.18994	4.2
432.24820	1.9
433.16766	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	432.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.0
67.05507	31.4
69.07079	23.3
69.96648	56.0
79.05502	43.9
80.83366	9.8
81.07066	87.3
91.05501	73.6
91.05991	10.4
93.07060	65.5
95.04973	46.4
95.08610	43.1
105.07056	100.0
106.07364	10.8
107.08631	58.6
109.06514	32.8
109.10178	29.5
117.07027	39.9
119.08584	97.7
120.08972	9.4
121.06502	12.5
121.10151	26.0
123.08084	10.3
128.06268	14.8
129.07024	29.6
131.08592	45.0
133.10133	34.1
135.08099	43.0
135.11737	21.2
143.08542	35.5
145.10126	44.2
146.10510	10.1
147.11665	16.0
149.13304	14.5
155.08560	26.4
157.10188	53.1
159.11722	72.0
160.12106	10.8
161.13248	14.7
168.09372	12.6
169.10094	30.0
171.11757	29.2
175.11172	32.1
177.12813	17.2
181.10130	17.5
183.11726	43.1
185.13286	16.3
193.10162	11.9
195.11690	20.0
198.13660	10.8
199.11169	11.7
205.12201	13.0
207.11748	11.3
209.13428	15.1
211.11140	12.2
223.14877	10.1
228.23155	9.8
229.12315	28.0
239.18138	10.7
244.29475	11.8
251.17996	20.5
335.23718	41.6
381.24319	43.0
432.30115	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	430.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.4
54.50544	0.3
55.05504	0.9
57.07079	2.9
67.05511	3.2
69.07066	0.8
71.08639	1.9
71.39790	0.7
72.08945	0.4
79.05484	0.6
81.07055	1.4
82.46859	0.4
83.04977	0.5
85.10184	0.6
88.24662	0.4
91.05477	1.2
93.07043	1.5
95.08599	1.1
97.10162	0.5
103.15685	0.4
107.08586	0.8
109.10165	5.4
119.08608	2.7
121.06512	11.6
121.10149	0.5
122.07347	2.2
123.08060	0.4
125.05975	0.5
135.08055	1.7
136.08859	14.0
137.09630	13.5
138.09950	0.4
145.10133	0.6
149.05974	1.2
149.09622	3.5
150.09959	0.7
151.07545	1.1
152.08298	1.2
152.19031	0.4
159.11687	0.9
163.11215	2.6
164.08350	32.1
164.11458	1.3
165.09126	100.0
166.09464	8.2
173.09598	0.5
175.11098	0.5
177.09093	2.7
177.12854	0.5
178.09587	0.8
179.10730	0.8
187.11201	0.9
190.09822	0.7
191.10674	1.9
192.11053	0.9
201.12650	0.6
205.12250	8.3
206.12648	0.7
219.13783	0.8
220.14284	0.4
325.51062	0.4
338.69623	0.4
402.34436	0.6
412.37100	0.5
430.38046	78.7
431.38559	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.8
57.03423	8.2
57.07070	8.7
65.68738	7.9
65.69093	8.0
67.05504	41.2
69.07057	39.1
70.84983	13.8
70.85313	14.9
79.05492	44.9
81.07056	98.8
82.07390	12.1
83.08600	16.6
91.05483	45.4
92.07957	9.9
93.07052	75.0
95.04994	9.6
95.08607	78.7
105.07036	81.4
107.08600	72.2
109.06480	14.1
109.10176	39.9
113.00014	40.2
117.07024	37.6
119.08600	65.9
121.10130	55.7
123.11708	15.0
129.07002	20.5
129.59767	10.2
131.08572	47.4
133.10110	62.1
135.11723	19.3
139.56567	9.1
141.06989	12.7
142.07776	12.3
143.08551	38.6
145.10129	33.4
147.08102	12.0
147.11635	17.4
148.62733	8.9
149.09618	11.2
155.08533	17.7
157.10139	70.8
159.11711	100.0
160.12045	11.6
161.13269	57.5
162.13628	8.9
163.07587	11.5
163.14798	33.7
167.08681	9.1
168.09291	12.1
169.02599	30.7
169.10110	24.7
170.10777	11.0
171.11676	26.4
173.13130	11.6
175.63626	9.6
183.11717	25.2
185.13254	28.4
197.13290	22.1
199.14905	41.9
203.10706	20.7
205.12254	30.5
213.16360	17.4
223.14882	13.5
227.10654	9.9
229.12352	11.2
231.13774	14.0
239.18037	26.2
251.17847	14.2
285.18216	18.4
297.18402	9.8
298.02957	8.4
299.20090	10.1
311.20047	11.8
321.25821	38.1
367.26373	85.8
430.28317	32.9
431.29193	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3319
Annotation	Zhebeinone
Peak:m/z	Relative Intensity
53.03935	7.9
55.05513	13.6
56.99541	2.8
57.07072	8.6
65.03928	5.3
67.05508	29.7
69.06720	4.4
69.07072	55.5
71.08629	8.5
78.46482	2.7
79.05122	3.6
79.05503	35.3
80.05023	7.4
80.45197	2.6
81.07055	100.0
82.06590	7.2
83.08617	5.7
85.10201	5.4
87.04487	2.7
91.05463	30.7
93.07044	63.7
94.06573	10.1
95.04956	6.9
95.08608	42.4
96.08131	5.9
105.07043	38.9
106.06595	3.7
106.08189	2.6
107.07397	4.2
107.08599	50.7
108.08112	18.3
109.06492	5.9
109.10165	25.1
110.06008	3.5
110.09682	6.8
117.07031	8.0
119.08586	37.6
119.09377	4.9
121.10169	26.4
122.09662	5.0
122.60532	2.9
123.11699	9.6
124.07614	3.9
126.05559	3.6
129.07025	3.6
131.08533	9.6
133.10138	16.9
134.09644	7.9
135.08022	4.6
135.11691	16.8
136.11185	3.3
137.09592	5.9
138.09114	11.2
140.07042	2.9
142.07811	3.2
143.08615	3.8
145.10124	12.1
146.09641	3.4
147.11649	20.4
148.11220	9.0
149.09650	6.1
149.13263	15.0
150.12810	4.0
154.08662	4.2
155.08496	3.7
157.10121	7.4
159.11707	13.2
160.11214	5.3
161.13251	7.6
163.11124	3.9
164.08328	4.9
165.09117	48.2
166.09467	15.8
167.07005	2.9
171.11629	3.5
172.11311	3.0
173.09529	3.1
173.13341	4.1
175.14798	3.8
176.14346	3.3
177.09113	4.5
185.13297	3.2
191.10732	5.0
201.89462	3.0
205.12204	5.5
206.12549	4.7
213.16556	3.4
215.18036	5.3
217.19516	4.0
325.05600	2.9
357.64340	3.1
394.31256	7.4
400.32184	4.7
412.32086	79.2
430.32993	39.4
430.37875	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	430.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.3
57.03411	7.0
67.05493	26.7
69.07050	27.6
69.31602	33.1
69.32024	30.3
79.05473	31.2
79.97231	7.2
81.07065	58.1
83.08558	7.9
91.05466	34.6
93.07023	48.2
95.08601	41.5
98.20732	9.7
105.07029	63.0
106.07354	8.0
107.08609	40.3
109.10184	18.8
113.00010	22.3
117.07020	27.7
119.08594	43.3
120.11973	6.9
121.10140	28.7
123.11723	14.8
129.07011	18.2
131.08553	26.0
133.10129	24.0
135.08037	8.9
135.11667	17.5
138.01593	7.9
142.07814	10.0
143.08546	22.4
145.10117	23.5
147.11630	14.5
149.06007	11.2
155.08597	10.9
157.10095	34.1
159.11682	87.2
161.13258	38.8
163.14810	42.1
171.11716	18.7
173.13264	10.7
175.11230	9.4
183.11653	16.5
185.13260	17.5
187.11229	10.0
197.13284	12.1
199.14833	12.7
201.16386	13.1
203.10583	13.3
205.12242	100.0
227.17877	8.0
321.25815	41.4
323.27316	10.1
367.26361	20.4
430.28354	29.6
431.29395	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.3
55.05510	12.5
65.05286	6.4
67.05491	18.5
69.03417	9.6
69.07064	15.6
69.61341	31.9
79.05500	19.5
81.07043	21.2
86.75867	6.5
86.78133	7.6
91.05479	31.9
93.07057	31.5
95.04984	8.9
95.08610	34.0
98.20685	6.4
105.07023	39.9
106.07344	8.3
107.08590	30.1
117.07017	29.5
119.08565	24.5
121.06496	26.0
121.10133	10.3
131.08563	25.9
133.10095	17.0
135.08051	12.0
135.11690	30.6
141.06940	12.4
143.08563	21.9
145.10132	27.1
147.08093	7.7
147.11671	18.9
155.08533	15.2
157.10120	17.9
159.11713	28.4
161.09641	6.5
167.08504	7.2
169.10117	8.9
171.11687	6.7
173.09700	11.7
175.11253	9.5
179.08406	8.9
181.04974	11.7
181.10114	19.1
183.11652	10.4
185.13196	10.3
195.11716	11.2
197.09602	12.7
197.13188	6.6
198.09831	7.7
199.11163	19.9
209.13344	11.4
211.11024	9.7
221.13148	19.9
245.11786	20.1
249.12686	9.7
263.11813	7.0
285.14792	20.4
299.16229	12.4
333.21936	9.6
351.19608	8.2
379.22705	100.0
387.47647	6.4
430.28168	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03441	33.1
57.07076	17.1
61.02931	8.8
61.08648	1.2
63.04496	27.8
69.03084	1.9
69.03439	38.1
69.67125	6.4
71.01356	4.7
73.02923	66.9
81.03426	3.3
85.02910	47.3
85.03432	2.4
87.04477	8.4
96.04497	4.0
97.02897	53.4
99.04462	1.8
101.09677	1.7
109.02885	3.2
113.21342	1.3
114.05544	8.8
115.03940	41.8
115.63888	1.1
119.10703	100.0
119.20533	1.3
127.03920	13.1
128.73941	1.1
133.04974	18.8
145.04980	14.6
150.07564	2.1
163.06050	3.9
177.05508	4.5
211.62308	1.3
217.07095	1.3
223.05994	2.7
241.07002	3.7
259.08182	4.2
295.10184	2.2
299.05453	4.4
329.10455	1.3
339.08893	1.2
353.06720	1.9
356.56229	1.2
383.07474	1.4
395.07562	1.6
412.14215	1.2
413.08185	1.4
430.14990	1.7
431.09140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.7
63.76423	3.1
65.09159	3.4
67.05507	9.7
69.07054	5.7
71.57259	6.2
79.05502	11.6
81.07054	29.9
83.04990	3.4
91.05497	18.5
93.07052	16.2
95.04951	5.2
95.08603	17.3
105.07027	32.1
106.07327	4.3
107.08588	9.9
109.02885	4.0
109.06541	5.9
109.10155	8.0
111.92738	3.3
117.07012	10.4
119.08609	20.7
121.06532	6.1
121.10146	4.7
128.06241	6.1
129.07013	16.2
131.08583	18.6
133.06544	5.3
133.10143	14.7
135.08109	3.7
137.05977	7.1
142.07820	4.6
143.08566	25.6
144.09401	3.8
145.10130	24.7
147.08041	6.5
147.11739	8.0
151.07568	4.0
155.08583	6.5
157.10126	36.3
159.11757	18.3
161.09610	7.4
161.13237	5.9
163.07492	4.5
165.06995	5.5
165.09142	4.0
167.08554	4.9
170.10869	7.8
171.08028	7.6
171.11713	13.1
173.09688	7.4
175.07561	12.5
177.09160	3.4
180.09221	5.9
183.11652	4.1
185.13272	87.1
189.09073	6.4
189.12744	7.8
195.11699	14.8
203.14325	11.4
213.12773	22.9
231.13797	100.0
232.14224	3.4
249.14824	29.7
431.25259	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19004	0.2
55.01864	0.7
57.03443	1.3
59.04986	0.3
61.02929	0.4
69.03436	1.6
70.06602	0.5
70.51963	0.7
71.01376	0.4
73.02930	1.1
73.09697	0.2
81.03413	0.6
84.08154	0.4
85.02914	2.9
87.04478	0.3
88.03985	0.4
89.10712	0.2
91.05805	0.6
94.04062	0.8
97.02901	1.4
98.97601	0.5
99.04459	0.3
110.97578	0.3
114.09164	0.3
115.03952	0.8
116.94710	0.2
116.98595	0.3
119.03564	1.3
120.08098	0.7
121.06509	0.7
123.04424	0.3
127.03930	0.4
133.04950	1.1
136.06195	100.0
137.04617	1.1
137.05708	0.2
137.06683	0.3
138.09175	0.2
139.03857	0.4
145.04987	0.3
154.05061	0.3
154.08649	0.2
164.07089	0.5
166.07225	0.6
166.08603	0.4
211.94734	0.2
212.08229	0.2
217.68056	0.3
219.01776	0.3
226.98805	0.3
237.02887	0.4
268.10153	3.4
268.15533	0.5
345.88467	0.2
430.15747	3.6
430.20874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05498	3.5
57.06833	1.2
57.07081	17.3
64.84059	0.7
67.05498	4.5
69.07080	5.7
70.86029	2.3
71.08293	0.8
71.08643	11.4
79.05496	1.7
81.07062	6.5
83.04984	1.0
83.08607	2.7
85.10187	5.8
91.05478	2.6
93.07032	3.3
95.08622	7.2
97.10177	1.8
105.07041	2.1
107.08588	5.3
109.06533	0.9
109.10166	6.2
111.11713	1.2
117.07023	0.8
119.08603	4.3
121.06473	1.5
121.10159	3.3
122.07272	1.5
123.08044	1.2
123.11739	1.8
125.13351	0.9
129.47653	0.7
131.08572	2.1
133.10155	1.6
135.08086	3.9
135.11697	2.6
136.08864	0.8
137.09625	11.0
137.13297	1.2
139.07544	2.0
145.10141	2.5
147.11766	1.0
149.09633	14.7
151.07561	1.0
157.10159	0.8
159.11699	3.7
160.08846	1.2
161.05974	0.9
161.09636	0.8
162.06825	1.7
163.11197	21.3
164.08385	1.6
165.09131	100.0
173.09625	2.0
173.13240	2.0
175.11249	4.9
176.08368	1.7
177.09123	11.1
177.12785	2.5
179.10663	1.5
186.10451	1.4
187.11198	2.9
187.14854	1.4
189.12752	1.7
191.10684	10.6
201.12770	4.2
203.10762	1.2
203.14279	1.2
204.11453	1.1
204.13834	0.8
205.12253	11.2
206.01234	0.8
215.14291	1.4
218.25290	0.8
219.13834	4.7
233.15372	3.0
261.18509	1.6
275.20093	2.0
289.21628	1.4
317.24615	1.3
331.26349	1.2
345.28040	1.1
401.34155	2.8
411.36380	2.6
429.32568	1.3
429.37311	38.4
430.37881	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	429.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
53.86665	0.7
55.05506	4.4
57.07075	1.6
65.11761	0.6
67.05513	5.3
69.03436	1.0
69.07071	10.2
69.47948	2.3
69.48368	2.7
69.86808	0.7
71.08639	1.4
79.05500	6.1
81.07059	21.4
82.39827	0.7
83.04990	1.0
83.08623	3.1
91.05476	10.2
93.07056	13.9
95.04980	1.2
95.08614	6.2
97.06517	1.8
97.10185	1.9
103.05431	1.1
105.07038	15.9
107.04975	0.8
107.08595	10.1
109.10168	1.5
115.05478	2.4
117.07024	4.5
119.04918	0.7
119.08597	10.6
121.06519	1.0
121.10148	8.1
123.11703	1.8
125.09570	0.7
126.35536	0.7
128.06241	6.5
129.07001	11.6
131.08580	6.9
133.10146	3.2
135.11668	1.8
139.11205	3.4
141.06976	3.5
142.07785	25.2
143.08565	27.2
144.09355	5.2
145.10126	9.5
146.10907	1.0
147.11685	1.6
149.13333	1.0
151.07549	2.0
154.07784	0.8
155.08553	5.5
156.09372	6.7
157.10135	59.0
158.10793	1.4
159.08040	1.2
159.11703	17.5
161.09734	1.0
161.13274	2.1
163.07497	0.8
165.06999	2.2
167.08597	1.2
168.09268	0.7
169.10117	8.9
170.10878	4.4
171.08099	0.7
171.11703	11.5
173.13234	1.5
175.07492	1.1
180.09322	2.2
181.10109	2.5
182.10916	1.3
183.11687	2.7
184.12492	3.0
185.13290	9.1
187.11246	0.9
187.14745	1.2
187.97630	0.8
189.09082	0.9
193.10112	1.7
195.11714	6.1
197.13382	3.6
199.14832	100.0
200.15289	1.2
201.16359	1.2
209.13248	2.2
211.14833	3.4
213.12737	1.8
213.16261	0.9
219.21063	1.1
221.13266	1.0
223.14780	1.4
225.16383	0.9
229.12192	3.5
231.13812	8.7
237.22157	2.9
245.13242	0.9
269.15424	1.0
279.13681	0.7
367.60242	0.7
373.21695	1.1
375.32474	2.5
383.27405	1.3
387.22751	1.0
393.25821	1.0
393.33643	3.4
411.26752	0.9
429.27844	44.0
430.28238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
55.01877	2.9
55.65107	1.3
57.03185	2.3
57.03446	26.7
61.02938	14.7
66.91647	1.1
69.03439	32.0
71.01366	2.9
71.04996	2.3
71.23173	1.3
71.35341	2.4
73.02925	51.3
81.03426	6.1
82.29922	1.5
83.01373	1.4
85.02913	100.0
86.03220	1.4
87.04468	3.3
90.86156	1.3
91.03983	4.4
95.05016	1.6
96.04552	1.7
97.02905	51.2
97.51997	1.4
99.04482	4.2
109.02894	6.6
111.04430	2.8
115.03940	31.0
115.05440	2.6
123.04461	1.5
127.03926	28.5
132.06580	1.4
133.04971	7.0
139.03918	44.6
140.04256	18.4
145.04977	51.0
150.07628	2.0
153.14850	1.6
163.04002	2.5
163.06033	20.8
180.08725	1.5
187.07465	1.5
190.05830	1.6
197.91743	1.3
213.05508	2.0
217.05074	1.7
218.05386	2.6
223.06117	2.9
236.08008	1.5
241.07092	3.0
244.06679	1.6
259.05786	1.9
259.08228	3.0
260.06479	1.7
290.07568	2.6
342.06909	1.4
419.14465	2.5
428.10468	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	429.1184
Annotation	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
50.54374	0.3
55.01876	1.7
58.84435	0.3
60.76877	0.4
65.03939	1.2
67.05489	1.0
68.99791	2.1
69.03428	1.1
71.45595	0.6
81.03402	0.4
83.04977	1.1
85.02920	0.5
88.36294	0.3
91.05502	0.4
93.03399	1.1
93.07039	0.5
95.05004	0.6
97.02900	1.0
99.04491	0.5
109.02865	0.4
111.04464	5.5
115.05499	0.7
115.52322	0.3
117.07016	0.4
119.08585	0.4
121.02876	0.8
123.04453	2.5
125.06056	0.3
127.03910	0.5
128.06264	1.5
129.07018	0.7
131.08606	0.5
137.06003	1.2
139.03915	100.0
140.04248	1.3
141.07033	1.4
143.04887	0.4
143.08577	1.6
144.54326	0.3
145.06535	1.0
147.04504	0.4
151.03932	2.8
152.06264	0.5
153.05492	1.3
153.07024	2.1
155.04988	0.9
155.08572	0.5
157.06493	1.8
159.08101	0.9
161.06059	0.5
163.03922	7.1
163.05240	0.6
165.05504	1.5
165.06909	0.6
167.03445	0.6
169.06493	1.3
171.08064	2.3
173.06003	1.5
175.07576	1.1
177.05515	0.7
179.03436	1.3
181.04967	0.9
181.06522	3.1
183.04462	1.2
183.08047	0.6
184.05278	0.7
185.06079	1.1
186.06760	0.4
187.07599	1.7
189.05481	1.2
189.09122	0.8
191.03441	0.8
191.07053	0.5
193.04958	0.4
193.06534	0.8
197.05972	2.1
199.03990	0.6
199.07571	4.3
201.05479	2.9
202.06210	0.8
203.07080	2.1
205.05090	0.8
209.06041	1.3
211.03946	0.4
211.07646	1.1
213.05421	0.6
214.06290	0.4
215.07053	3.8
217.04996	1.3
217.08670	1.5
219.06558	1.2
221.05998	0.8
221.08008	0.4
225.05489	0.5
226.06389	0.5
227.07022	4.1
229.04974	1.9
230.05725	0.6
231.06537	1.7
233.08173	1.0
239.07047	2.2
241.05112	0.4
243.06567	1.4
245.08110	3.7
247.06046	1.0
249.07587	0.7
255.06552	0.7
257.08115	1.1
261.07660	1.3
263.09369	2.2
267.06540	1.1
267.16187	0.4
273.07544	2.0
281.08218	0.5
285.07663	2.3
291.08649	16.7
305.08136	0.4
319.09927	0.4
347.09073	0.5
365.10245	0.8
375.08780	0.7
383.11310	0.7
393.09799	2.7
411.10864	2.1
429.11865	39.8
429.21298	1.0
430.12524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98306	1.3
55.01888	1.1
57.03432	2.2
61.95222	1.1
63.90155	1.1
67.05495	1.7
69.03441	2.9
70.76380	3.5
70.90813	1.2
73.02913	1.9
79.05485	4.5
80.85571	1.1
81.07062	16.0
85.02917	7.2
91.05485	2.6
93.07054	1.9
95.01155	1.1
95.08594	2.5
97.02870	2.3
97.06563	2.3
105.07034	19.0
107.08586	4.5
117.06999	1.8
119.08597	16.9
121.06428	1.3
123.08037	2.3
127.03903	1.6
128.06244	1.8
129.07007	2.5
131.08537	4.8
133.06490	2.7
133.10158	1.6
139.07608	1.8
141.07011	2.4
142.07759	12.1
143.08574	7.5
144.09326	1.6
145.10144	15.5
151.07559	10.1
157.10141	100.0
158.10393	2.4
159.11696	33.8
161.13283	6.8
169.08630	22.8
169.10101	4.0
170.10855	1.8
171.11674	4.4
184.99176	1.2
185.13269	23.2
187.14819	1.5
195.11691	4.6
201.12715	2.5
213.12750	13.1
231.13823	20.9
249.14871	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01876	2.1
55.57048	1.3
57.03443	26.7
61.02932	12.6
66.97461	1.2
69.03434	37.4
71.01343	4.8
71.56517	2.0
73.02924	52.1
81.03423	5.8
81.07071	1.5
82.51395	1.3
83.04956	1.6
85.02912	100.0
87.04503	3.0
90.17030	1.2
91.03958	5.9
94.97068	1.4
95.04993	3.2
96.04466	1.6
97.02901	48.7
98.97557	1.3
99.04460	6.1
105.07024	3.0
107.04993	1.4
109.02877	9.3
111.04436	4.1
115.03948	27.3
115.05393	1.3
119.08624	1.6
123.04414	1.7
127.03922	31.5
131.04893	1.7
133.04961	10.2
139.03918	57.1
140.04245	26.2
141.07033	2.7
145.04977	51.7
145.52670	1.3
150.07599	3.3
151.07588	2.3
158.06999	1.5
159.07999	1.8
161.06012	1.6
163.03922	3.0
163.06032	19.0
175.07719	1.8
185.05893	1.4
189.05496	2.8
198.06508	1.7
203.07068	1.9
214.05836	2.2
215.07002	1.6
217.04971	2.0
218.05421	2.2
223.05939	3.5
226.05879	1.8
228.31215	1.5
240.08665	1.6
241.07103	3.2
244.06911	1.6
256.07059	1.8
260.06317	2.2
271.05988	1.7
272.06314	1.8
290.07614	2.7
295.10330	2.3
419.14218	8.7
419.64172	3.9
428.10526	15.3
428.16113	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	428.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38589	2.8
57.30516	3.2
69.07082	3.2
71.56239	6.2
72.46471	3.3
73.02934	5.6
79.05481	7.0
81.07062	16.2
85.02902	10.0
91.05477	9.5
93.07039	7.1
93.22157	3.3
95.04975	3.7
95.08631	5.2
105.07032	22.7
107.08607	6.0
109.10124	6.7
112.99093	3.9
117.07052	10.6
119.08589	15.2
128.06279	4.3
129.06995	6.1
131.08560	19.1
133.10112	8.0
137.06067	3.6
139.08383	3.5
143.08563	20.6
144.09308	3.5
145.10193	5.7
146.03653	4.1
147.08022	9.3
151.07513	4.6
157.08995	4.4
157.10161	18.4
159.10440	7.0
159.11703	100.0
161.13261	35.1
171.11659	4.9
175.07559	7.7
185.13295	19.7
193.08539	36.9
193.09802	4.7
203.14342	7.6
213.12708	18.4
231.13811	19.8
236.66428	3.4
249.14857	91.6
265.16525	4.5
274.16888	15.7
283.17429	9.1
292.17944	10.3
292.68069	4.4
355.54324	3.9
355.58432	4.8
428.27939	7.6
439.89755	4.0
442.91510	3.7
445.06973	4.1
452.69250	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	428.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.8
57.03439	24.0
59.26912	1.9
69.03436	8.4
70.06592	3.2
70.47230	1.8
70.56724	4.9
71.01334	2.5
71.04999	87.5
73.02918	14.3
75.04482	6.2
79.05472	2.2
81.03426	2.4
81.07066	10.5
83.05005	11.4
85.02912	100.0
85.06558	6.4
87.04472	4.2
95.04932	2.4
96.08141	2.5
97.02891	9.4
99.08099	92.1
103.07597	21.1
107.04997	3.5
109.02843	2.8
111.04431	8.6
114.09177	3.2
115.03876	4.4
117.09140	48.9
123.04420	10.2
124.04768	4.9
127.03976	10.6
129.05505	40.8
135.04419	3.0
136.06212	3.0
139.03958	16.8
140.04243	7.6
144.27559	2.3
145.05019	3.4
147.06528	19.4
150.07751	5.5
154.05034	2.7
157.15987	2.2
160.09708	2.1
163.03914	8.5
177.05397	2.7
191.03386	2.3
192.03883	3.5
204.03772	3.5
213.11215	5.9
230.05278	2.5
258.04877	3.5
259.05743	2.9
276.05991	3.8
288.05856	8.6
410.10297	5.2
428.19406	6.5
436.07938	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	428.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56268	0.3
61.02911	0.5
63.02375	0.3
66.98241	0.4
69.03423	1.2
69.21880	3.5
72.08160	13.0
81.03430	0.9
85.02917	3.4
85.66563	0.3
89.03918	2.1
90.09192	1.2
91.05467	0.5
97.02914	0.9
109.02837	0.5
117.03387	10.9
117.04216	0.6
118.43100	0.3
119.04922	0.4
120.08131	0.6
127.03919	0.8
130.04868	0.3
134.03590	0.8
135.04414	0.8
139.03943	0.4
145.02855	41.4
146.03188	0.6
149.06001	4.2
163.03944	0.5
177.05479	100.0
178.05830	1.8
186.05508	0.5
187.55081	0.3
207.06502	1.3
266.13898	31.0
267.14264	0.5
401.94562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62033	0.7
66.37009	0.5
69.03423	1.2
69.59607	0.6
70.01130	0.5
70.82837	1.8
72.08160	9.0
85.02908	2.1
89.03940	2.9
90.09189	2.0
91.05505	0.6
92.36047	0.6
97.02872	1.6
107.53390	0.5
117.03381	11.2
127.19403	0.6
134.03577	0.8
135.04433	1.1
139.03926	0.8
145.02856	41.4
149.06027	3.5
163.03883	1.5
177.05484	100.0
178.05812	1.1
224.65102	0.6
254.66980	0.6
266.13889	21.5
428.13712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63465	0.9
53.03960	1.4
55.05518	6.1
57.07082	2.5
67.05220	1.1
67.05515	12.5
68.28393	0.9
69.03449	1.3
69.07075	30.3
70.15231	1.9
70.15572	2.5
71.04988	1.1
71.08632	1.2
79.05497	14.3
81.07064	38.0
83.08622	4.3
91.05489	20.9
93.07056	21.9
95.04971	2.8
95.08051	1.5
95.08613	17.6
97.06518	1.1
97.10177	2.4
103.05439	1.4
105.07041	45.5
107.08599	16.6
109.10158	13.1
111.04398	1.4
111.11726	4.0
115.05524	1.5
117.07023	9.3
119.07800	1.6
119.08600	28.6
121.10150	10.7
123.11710	4.4
125.06021	5.3
127.11161	1.2
128.06229	1.1
129.07018	3.7
130.07773	1.5
131.08565	10.9
133.10139	15.5
135.04446	2.4
135.11697	11.0
139.11203	6.3
141.07008	1.8
142.07794	1.1
143.08601	7.0
144.09398	2.0
145.10158	10.4
147.08054	1.6
147.11717	4.2
149.05956	1.8
149.13289	6.6
151.07558	1.8
155.08585	6.7
156.09360	1.3
157.10141	11.9
158.10733	1.1
159.11710	49.2
161.13269	100.0
162.13684	2.4
163.07611	1.5
163.14812	9.7
167.08641	1.0
169.10181	7.2
171.11716	3.9
173.13264	5.7
175.14853	1.7
181.10132	2.5
182.11026	1.1
183.11720	6.6
185.13304	6.2
187.14841	4.2
193.10170	1.2
195.11691	3.3
197.13280	9.4
199.14816	8.6
201.09164	1.2
201.16467	2.9
203.10710	1.8
205.12260	8.9
207.11812	1.7
207.13841	3.8
209.13281	2.7
211.11385	1.3
211.14839	4.6
213.16426	3.0
217.12199	1.4
223.15007	1.6
225.12848	1.2
225.16382	5.7
229.12297	2.4
231.13855	2.9
237.16467	3.0
238.97855	1.3
239.18019	5.8
243.13892	2.0
245.15421	1.4
251.18045	2.1
257.15198	1.6
265.19537	6.7
271.16943	1.4
279.21225	1.4
283.16998	1.2
285.18481	4.4
297.18500	1.7
301.14310	1.4
311.19992	4.0
312.09549	1.2
321.25754	30.9
323.27283	2.0
331.24442	1.0
339.26791	1.9
349.25305	2.7
367.26358	45.9
409.34601	2.1
427.27078	3.8
427.35876	1.5
427.47183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
53.77161	2.3
55.05506	8.7
57.07076	3.3
63.08406	2.3
67.05498	13.7
69.07072	21.1
79.05497	18.7
81.06583	3.0
81.07060	55.4
83.08603	3.3
91.05479	29.5
92.79786	1.9
93.07056	28.0
95.04968	2.8
95.08617	24.1
97.06534	2.6
97.10167	4.9
98.21013	2.4
105.07035	49.8
107.08612	19.6
109.10186	15.7
111.04448	3.0
117.07024	15.7
119.08585	41.4
121.10149	10.0
122.16240	2.1
123.11691	6.4
125.06023	14.8
129.07002	6.3
131.08586	15.5
133.06448	2.2
133.10115	20.6
135.04446	3.1
135.11696	11.8
137.05936	2.4
139.07565	2.0
141.06966	3.0
142.07791	3.6
143.08514	10.0
144.09305	3.0
145.10155	18.4
147.11671	7.2
149.05902	2.8
149.13278	7.9
151.07581	3.3
155.08534	5.5
156.09334	2.1
157.10126	10.0
159.10443	4.2
159.11699	60.3
161.13266	100.0
163.14804	8.9
167.08549	2.9
168.09314	2.5
169.10146	6.8
171.11740	5.6
173.13249	6.3
175.14836	2.9
177.09125	2.8
181.10168	3.1
183.11809	4.6
185.13243	8.4
187.11185	2.8
187.14870	4.6
189.16394	3.4
195.11716	5.9
197.13251	7.0
199.14818	10.2
201.16414	5.8
203.10716	3.2
205.12236	12.4
207.13757	6.6
211.14850	3.5
213.16415	6.1
223.14774	3.5
225.16342	4.6
229.12236	2.9
231.13762	3.2
237.16202	2.7
239.17940	7.0
241.19478	3.5
245.15500	3.0
253.19641	3.1
265.19507	4.0
285.18463	4.6
297.18845	2.4
311.20157	3.4
321.25735	33.8
323.27234	4.6
339.26758	4.9
341.24631	2.3
349.25223	2.5
351.02219	2.3
358.61319	2.1
366.60910	2.4
367.26315	45.9
427.28381	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	427.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	3.7
55.01874	3.7
55.05513	15.0
57.07074	11.3
62.80494	3.4
65.03960	3.4
67.05515	25.8
69.07073	35.1
69.39496	30.5
71.08648	7.4
79.05491	22.5
81.03413	6.5
81.07056	60.4
83.04979	3.2
83.08640	10.0
86.91982	2.9
91.05481	30.8
93.07050	31.4
95.04987	5.8
95.08611	37.4
97.06584	5.4
97.10193	8.9
103.05502	3.4
105.07035	67.1
105.07690	6.2
106.07354	3.9
107.08601	25.2
109.10145	15.7
111.11749	4.3
117.07047	14.0
119.08578	45.2
121.10149	24.9
123.08082	3.1
123.11737	8.8
125.06027	10.8
125.09657	3.9
129.07021	6.8
131.08580	18.0
133.10136	22.8
135.04486	4.5
135.08115	4.0
135.11714	13.6
137.06009	3.7
137.13196	3.5
139.07622	5.2
142.07701	3.7
143.08586	14.9
144.09396	3.6
145.10080	19.4
147.11717	11.4
149.06046	5.8
149.13269	7.0
151.07539	4.1
155.08578	7.3
157.10159	20.6
159.11696	53.3
161.13263	100.0
163.14821	9.8
169.10152	11.3
171.11679	6.0
173.13301	8.8
181.10136	5.3
183.11708	11.4
185.13315	9.2
189.16446	4.4
195.11790	9.7
197.13303	9.2
199.14940	5.0
201.16383	7.3
205.12268	57.3
207.13724	6.4
213.16347	3.7
223.14845	5.3
225.16429	4.5
227.18105	6.3
230.24832	7.5
231.25191	3.9
237.16370	4.7
239.18025	11.4
251.17989	4.2
265.19598	9.7
285.18393	5.7
321.25726	38.9
323.27554	6.8
339.26709	4.3
349.25662	3.7
367.26340	31.5
373.27588	3.9
426.46765	4.4
427.27213	9.8
427.46979	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	427.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69851	3.8
53.03958	7.9
55.01867	9.5
55.05497	11.7
55.47607	3.6
57.07075	5.9
65.03927	4.6
65.97917	3.8
67.05497	19.2
69.03411	8.5
69.07057	12.2
71.26841	8.9
72.00782	3.5
75.67183	3.5
79.05489	33.4
81.07059	34.8
83.04952	5.9
85.06564	4.1
91.04967	7.6
91.05486	92.4
93.07053	38.6
95.04972	19.7
95.08622	24.2
97.06531	7.1
103.05468	23.6
105.07040	89.0
107.04955	19.7
107.08618	36.8
109.06509	18.8
109.10159	9.4
111.04449	4.9
115.05459	12.6
117.07028	50.9
119.04956	20.3
119.08598	69.0
119.74831	4.7
121.06491	21.6
121.10155	21.7
123.04397	5.6
123.08101	7.8
123.11743	7.2
125.06013	6.4
128.06218	17.7
129.07028	30.1
130.07770	4.8
131.04933	36.0
131.08569	42.1
133.06519	21.6
133.10135	57.2
135.04420	4.1
135.08049	22.7
135.11693	15.9
137.05986	69.3
139.03926	6.1
139.07544	8.8
141.06924	9.9
142.07779	24.6
143.04932	5.4
143.08565	36.1
145.06500	50.2
145.10123	27.5
146.03551	6.0
147.04436	13.7
147.08031	22.8
147.11697	45.9
149.05966	8.7
149.09656	11.9
149.13281	6.2
151.07559	100.0
153.07030	4.9
155.08542	17.7
156.09286	6.2
157.06497	16.9
157.10164	44.6
157.78149	4.8
159.08026	12.0
159.11699	26.2
160.05191	7.7
161.05960	19.9
161.09674	24.9
161.13229	11.2
162.06801	5.2
163.07567	35.2
165.05498	32.6
165.06927	9.8
165.09145	20.6
167.08548	8.4
168.09384	8.4
169.10104	19.1
171.07999	7.3
171.11708	14.1
173.05978	9.7
173.09630	13.0
173.13260	4.8
174.06786	9.5
175.07587	29.2
175.11159	38.3
177.09164	23.1
177.12840	5.2
179.07176	8.2
179.08551	7.7
179.10699	9.6
181.08594	14.1
181.10204	16.1
183.08127	7.4
183.11732	22.5
185.09637	13.9
185.13297	11.4
187.07631	7.4
187.11127	5.4
188.08151	6.7
189.09137	50.0
190.06264	15.1
191.07056	4.8
191.10661	8.8
191.14452	4.5
193.10323	9.5
193.12260	25.0
195.11641	12.7
197.09602	8.9
197.13271	14.8
199.11214	11.5
201.09163	15.2
201.12746	8.6
203.10677	38.0
205.08575	33.1
207.10167	11.2
209.13443	4.6
211.11176	11.4
213.09047	4.9
213.12840	7.2
215.10641	17.1
215.14342	6.8
217.08568	6.2
217.12236	13.8
221.08087	11.8
221.11693	53.2
227.10655	10.1
229.12265	14.7
231.10052	7.8
231.13741	6.5
232.47719	4.8
233.08014	8.8
235.11180	5.5
239.14343	6.9
241.12325	9.5
243.13869	6.5
245.11714	8.6
247.13210	6.3
249.11250	8.7
251.10399	4.4
253.12263	7.3
254.12828	5.6
257.15125	6.3
267.13748	8.6
279.13858	5.0
285.14871	6.7
291.13693	5.5
293.15741	4.7
321.18686	5.4
331.16702	6.9
363.19595	8.0
365.17639	10.7
381.20724	11.6
383.18744	6.4
391.19095	10.3
409.19888	34.4
409.24408	4.8
427.21204	56.5
427.26846	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	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
61.66181	0.3
68.99788	1.9
69.03432	0.4
71.55984	0.5
80.03941	0.3
85.02872	0.4
91.05466	0.4
94.04053	1.5
95.04955	0.7
97.02905	0.5
107.04996	0.6
107.87323	0.3
111.00832	1.0
111.04453	0.6
115.05481	0.4
119.04943	0.6
121.02821	0.7
123.04436	12.2
123.06725	0.8
127.03937	0.6
131.37877	0.3
135.04448	3.0
135.05345	0.7
137.05933	0.4
139.03909	18.3
147.04385	1.1
148.06100	0.4
150.07755	100.0
151.03922	0.9
151.08067	0.7
161.05968	0.5
163.03900	4.9
165.05518	0.9
167.03395	3.3
173.05991	0.5
175.03925	2.1
177.05511	1.1
179.03436	2.2
181.04944	0.4
185.06070	0.5
187.03888	1.0
189.05519	1.6
191.03403	7.0
193.05025	1.3
197.05968	0.6
201.05402	2.5
203.03418	5.2
205.04967	0.7
213.05536	1.0
215.03412	0.6
217.05046	1.0
229.04958	2.9
233.04507	3.2
236.29887	0.4
240.10201	0.6
241.04887	0.7
245.04486	2.2
247.06020	3.4
251.05475	1.0
255.06558	0.7
257.04483	5.8
258.05255	0.7
259.05975	2.0
269.04471	1.2
271.05978	1.4
275.05490	8.2
276.06186	0.4
282.12039	1.4
283.05963	3.5
287.05527	13.6
288.05991	0.5
295.11511	18.2
296.11636	0.4
299.05496	1.1
301.07065	2.4
331.12955	0.7
374.12476	0.4
409.09198	6.1
427.10245	0.8
427.19464	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	427.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.9
55.05498	7.0
57.94522	4.0
60.54208	5.2
65.03940	4.8
67.05510	18.3
69.03432	9.7
69.07069	13.1
69.48998	36.7
79.05493	27.5
81.07068	36.1
82.04561	4.0
83.04987	8.5
91.04955	8.5
91.05486	84.2
93.07057	47.1
95.04966	15.6
95.08632	28.7
103.05476	18.6
105.07047	83.7
107.04985	13.1
107.08598	37.5
109.06499	12.6
109.10141	11.1
111.04482	5.3
115.05460	16.7
117.07027	46.4
119.04945	16.9
119.08593	57.8
121.06509	19.8
121.10149	21.1
122.03699	4.8
123.04401	5.6
123.08094	8.1
125.81997	4.1
128.06201	15.3
129.07018	29.5
129.62627	4.0
131.04947	28.2
131.08586	39.2
133.06485	14.7
133.10136	46.8
135.08052	15.9
135.11731	11.7
137.05986	65.8
139.03906	14.8
141.06972	9.2
142.07808	22.4
143.08553	35.6
144.09338	6.8
145.06516	34.2
145.10143	32.8
146.03603	6.8
147.04449	6.0
147.08063	27.5
147.11694	34.6
149.05943	7.9
149.09618	18.1
151.07552	100.0
153.07022	5.8
154.07805	6.0
155.08571	17.7
156.07654	4.6
156.09274	8.4
157.06526	13.6
157.10136	35.8
158.07346	5.5
159.08080	14.0
159.11665	24.3
161.05983	12.4
161.09642	20.6
161.13287	11.3
163.07468	26.4
163.11124	6.0
165.05481	23.3
165.06891	8.7
165.09174	15.2
167.08606	10.6
168.09335	6.6
169.10139	13.8
171.11684	14.7
173.05974	5.5
173.09637	19.3
173.13306	9.4
174.06706	10.5
175.07585	28.6
175.11200	35.9
177.09152	17.7
179.08530	9.2
179.10715	11.5
181.08675	9.9
181.10124	21.7
183.11742	21.3
185.09656	11.1
185.13312	14.0
187.07657	6.5
188.08348	8.0
189.09082	42.8
190.06233	9.3
191.07053	8.7
193.10210	7.6
193.12259	18.6
195.11728	9.7
197.13251	12.4
199.11179	5.7
201.09082	19.1
201.12756	9.9
203.10684	36.5
205.08549	26.1
205.12270	7.2
207.10205	14.3
209.13274	6.7
211.11124	11.4
211.14752	6.3
215.10765	11.0
217.12239	15.4
221.08115	10.7
221.11618	43.9
227.10698	13.8
229.12303	17.0
233.08043	9.8
235.11235	5.7
239.10690	6.6
241.12230	7.7
243.13841	6.1
245.11705	9.3
249.11140	7.5
253.12230	9.9
267.13724	9.1
287.93195	6.1
293.15247	7.1
337.17725	5.0
363.19492	11.7
365.17535	12.9
391.18811	13.1
409.19992	30.8
427.21362	55.4
427.26678	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1026
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
55.01868	1.4
55.05505	0.3
56.34971	0.2
65.03940	1.5
67.01856	0.5
67.05521	0.9
68.99787	1.6
69.03433	0.6
70.91543	0.4
71.01357	0.2
81.03415	0.3
83.04989	1.2
91.05468	0.7
93.03400	1.2
95.04960	0.7
97.02893	0.6
99.04460	0.9
103.05435	0.2
105.07035	0.4
107.04997	0.3
110.81602	0.2
111.04444	5.0
115.05430	1.1
117.07045	0.4
121.02859	0.4
123.04435	1.7
124.01590	0.2
127.03935	0.5
128.06274	0.4
129.07028	0.9
129.64816	0.2
131.04935	0.3
131.08569	0.6
133.06415	0.2
133.10153	0.3
135.04427	0.2
137.05992	0.4
139.03905	100.0
140.04228	0.8
141.05461	0.2
141.05882	0.2
141.06982	2.1
143.04904	0.7
144.05725	0.5
145.06497	0.6
147.04411	0.5
151.03915	1.0
152.06175	0.3
153.05519	0.4
153.07068	0.7
155.04903	0.7
157.06509	1.1
159.08035	0.8
161.06027	0.6
163.03923	2.9
163.62384	0.2
165.05530	0.8
167.03403	0.5
167.04794	0.4
168.05739	0.4
169.06480	3.1
169.07822	0.3
171.04427	1.4
171.08076	0.2
173.05965	1.1
175.03860	0.3
175.07578	0.2
177.05482	0.4
179.03513	0.2
179.04915	0.4
181.05014	0.4
181.06523	1.3
183.04456	0.6
183.06573	0.6
184.05138	0.5
185.05998	1.7
186.06757	0.4
187.03940	0.2
187.07529	1.7
188.36256	0.2
189.05464	2.1
191.03401	0.5
191.07033	0.2
196.05020	0.2
197.05981	3.7
199.03935	2.2
199.07591	0.6
200.04691	0.4
201.05470	1.4
202.06206	0.2
203.03494	0.2
203.07030	1.4
205.04901	0.4
207.04478	0.6
209.05951	1.1
211.03955	0.4
213.05478	3.1
215.03526	0.5
215.06995	2.4
216.04185	0.3
217.04932	5.2
217.15851	0.3
225.05499	1.8
227.03447	0.4
227.07065	1.7
229.04880	1.9
230.05788	0.3
231.06497	1.7
233.06065	0.2
237.05469	1.5
241.05017	0.8
242.05743	0.5
243.06514	3.8
245.04466	2.2
247.05945	0.4
251.07019	0.5
253.04980	0.8
255.06514	2.8
257.04440	1.5
259.06036	4.0
261.07593	0.8
265.05020	0.7
271.05997	4.4
279.06549	0.5
283.06085	1.5
287.05209	0.2
289.07037	4.8
317.08496	0.2
335.08945	0.2
337.60132	0.2
345.07605	0.4
349.62308	0.3
363.08640	0.9
373.06900	0.2
381.09775	0.3
391.08044	0.7
409.09149	0.8
418.63834	1.2
427.10266	18.7
428.10693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1024
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02386	1.1
53.03942	1.0
54.61245	0.7
55.01875	4.4
62.47843	0.6
63.24701	0.7
65.03940	1.5
65.43153	0.7
67.00219	0.7
67.01867	0.8
67.05508	1.6
68.99780	9.5
69.03413	0.9
70.06589	0.8
70.32154	2.3
70.32502	0.9
71.04958	0.7
71.83927	0.7
77.03930	2.3
79.05486	1.6
85.02925	1.0
89.03948	0.8
91.05468	2.2
93.03420	1.0
93.07075	1.0
94.04056	1.4
95.04967	3.1
95.85348	0.8
97.02882	1.1
103.05460	0.9
105.03389	1.6
105.07053	0.9
105.79050	0.8
106.97671	0.7
107.04970	2.7
109.02911	1.0
111.00805	4.4
111.04488	4.1
117.06969	0.9
119.04935	3.0
121.02879	3.9
123.04436	63.3
127.03922	3.0
131.04935	1.9
131.47647	0.7
133.06580	0.7
135.04427	15.3
137.02371	2.7
137.05971	3.4
138.68773	0.8
139.03911	100.0
141.01787	1.1
145.02751	0.8
145.06448	0.9
147.04428	8.4
149.02354	3.1
149.05983	2.4
150.07762	46.0
151.03908	9.2
153.01854	2.1
153.07051	1.4
155.04898	1.4
157.06422	1.4
159.04375	2.3
161.02333	0.9
161.05962	1.6
163.03917	22.5
165.05486	5.6
167.03410	14.7
167.04764	1.3
169.06572	1.0
171.04448	0.8
173.06036	2.5
175.03914	8.9
175.48209	0.8
176.04556	0.8
177.05473	8.1
179.03386	10.4
181.05038	1.6
181.06503	2.5
185.06027	2.3
187.03928	5.8
189.05502	6.0
191.03410	36.4
193.04971	9.2
197.06024	1.0
201.05453	13.1
203.01495	1.5
203.03392	22.9
205.05023	4.4
209.05925	1.1
213.05501	3.3
215.03427	3.4
217.04982	3.1
227.07089	1.3
229.04950	15.7
229.07050	1.3
230.05743	1.5
231.06567	1.6
233.04451	16.3
234.05093	1.0
237.05513	2.3
241.04987	4.2
245.04439	10.9
247.06026	19.2
251.05482	5.1
255.06433	5.3
257.04465	28.3
258.05151	2.7
259.06049	10.6
269.04449	5.4
271.05942	6.5
275.05533	46.1
283.06042	18.0
287.05511	70.7
288.05823	1.1
289.03741	0.8
295.11578	10.5
299.05585	5.4
301.07120	9.6
345.38940	0.9
391.08450	1.8
409.09241	30.3
410.09268	1.1
427.10275	3.0
427.19516	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
57.03437	27.9
61.02928	12.8
69.03431	34.0
71.01350	3.0
71.49370	1.9
71.56866	4.7
73.02917	60.7
79.05488	3.3
81.03419	7.0
85.02908	100.0
87.04493	3.5
91.03957	6.4
92.59394	1.8
97.02896	50.3
97.10175	5.3
99.04436	5.5
107.04957	2.5
109.02884	5.7
115.03934	40.0
115.11214	5.7
121.06471	2.7
123.04469	3.2
127.03896	30.6
127.83015	1.8
132.06584	3.6
133.04984	12.9
145.04961	51.0
150.07655	6.6
151.03918	4.1
163.04041	2.4
163.06018	19.9
173.09525	1.9
214.52495	2.0
223.06056	5.1
241.07062	5.7
259.08255	2.6
264.63354	2.2
277.16513	2.0
427.18033	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
57.03437	27.9
61.02928	12.8
69.03431	34.0
71.01350	3.0
71.49370	1.9
71.56866	4.7
73.02917	60.7
79.05488	3.3
81.03419	7.0
85.02908	100.0
87.04493	3.5
91.03957	6.4
92.59394	1.8
97.02896	50.3
97.10175	5.3
99.04436	5.5
107.04957	2.5
109.02884	5.7
115.03934	40.0
115.11214	5.7
121.06471	2.7
123.04469	3.2
127.03896	30.6
127.83015	1.8
132.06584	3.6
133.04984	12.9
145.04961	51.0
150.07655	6.6
151.03918	4.1
163.04041	2.4
163.06018	19.9
173.09525	1.9
214.52495	2.0
223.06056	5.1
241.07062	5.7
259.08255	2.6
264.63354	2.2
277.16513	2.0
427.18033	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	427.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03942	1.0
54.61245	0.7
55.01875	4.4
62.47843	0.6
63.24701	0.7
65.03940	1.5
65.43153	0.7
67.00219	0.7
67.01867	0.8
67.05508	1.6
68.99780	9.5
69.03413	0.9
70.06589	0.8
70.32154	2.3
70.32502	0.9
71.04958	0.7
71.83927	0.7
77.03930	2.3
79.05486	1.6
85.02925	1.0
89.03948	0.8
91.05468	2.2
93.03420	1.0
93.07075	1.0
94.04056	1.4
95.04967	3.1
95.85348	0.8
97.02882	1.1
103.05460	0.9
105.03389	1.6
105.07053	0.9
105.79050	0.8
106.97671	0.7
107.04970	2.7
109.02911	1.0
111.00805	4.4
111.04488	4.1
117.06969	0.9
119.04935	3.0
121.02879	3.9
123.04436	63.3
127.03922	3.0
131.04935	1.9
131.47647	0.7
133.06580	0.7
135.04427	15.3
137.02371	2.7
137.05971	3.4
138.68773	0.8
139.03911	100.0
141.01787	1.1
145.02751	0.8
145.06448	0.9
147.04428	8.4
149.02354	3.1
149.05983	2.4
150.07762	46.0
151.03908	9.2
153.01854	2.1
153.07051	1.4
155.04898	1.4
157.06422	1.4
159.04375	2.3
161.02333	0.9
161.05962	1.6
163.03917	22.5
165.05486	5.6
167.03410	14.7
167.04764	1.3
169.06572	1.0
171.04448	0.8
173.06036	2.5
175.03914	8.9
175.48209	0.8
176.04556	0.8
177.05473	8.1
179.03386	10.4
181.05038	1.6
181.06503	2.5
185.06027	2.3
187.03928	5.8
189.05502	6.0
191.03410	36.4
193.04971	9.2
197.06024	1.0
201.05453	13.1
203.01495	1.5
203.03392	22.9
205.05023	4.4
209.05925	1.1
213.05501	3.3
215.03427	3.4
217.04982	3.1
227.07089	1.3
229.04950	15.7
229.07050	1.3
230.05743	1.5
231.06567	1.6
233.04451	16.3
234.05093	1.0
237.05513	2.3
241.04987	4.2
245.04439	10.9
247.06026	19.2
251.05482	5.1
255.06433	5.3
257.04465	28.3
258.05151	2.7
259.06049	10.6
269.04449	5.4
271.05942	6.5
275.05533	46.1
283.06042	18.0
287.05511	70.7
288.05823	1.1
289.03741	0.8
295.11578	10.5
299.05585	5.4
301.07120	9.6
345.38940	0.9
391.08450	1.8
409.09241	30.3
410.09268	1.1
427.10275	3.0
427.19516	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	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41382	1.7
53.03941	6.6
55.01865	10.3
55.05516	22.8
57.03441	9.4
57.07071	5.2
57.67843	1.8
60.69492	2.1
64.79787	1.9
65.03934	3.3
67.05505	85.1
69.03429	19.0
69.07066	23.9
69.66956	3.3
69.67367	9.4
71.04986	9.1
71.08626	5.4
71.61242	2.0
73.02907	7.5
75.06261	2.0
79.05505	24.0
81.03410	12.4
81.07061	81.6
83.04989	4.3
83.08618	16.2
85.02918	5.1
85.06525	2.2
91.05486	18.5
93.07047	30.0
95.04974	6.4
95.08607	62.4
97.02895	100.0
97.10173	10.4
99.04457	50.9
99.08086	4.0
101.87546	1.9
105.07032	14.5
107.08578	12.6
109.02884	14.2
109.06492	2.8
109.10168	28.8
111.08042	4.2
111.11694	2.7
113.09739	2.3
117.06998	2.8
119.08601	13.9
121.10130	14.1
121.24083	1.8
123.11723	17.5
125.09660	2.6
127.03927	30.7
127.11195	2.2
129.05417	1.9
131.08559	4.8
133.10170	13.6
135.11697	10.0
137.09572	2.2
137.13261	7.3
143.08511	3.4
145.04938	11.1
145.10161	5.0
147.11684	7.4
149.13246	8.9
151.03952	2.4
151.14798	4.0
157.10191	3.5
159.11656	4.2
161.13245	8.1
163.14830	6.4
173.13281	2.5
175.14824	7.6
183.11603	2.0
189.16420	3.9
193.15797	3.1
201.16338	2.4
245.22672	9.2
263.23737	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1269
Annotation	Shogasulfonic acid B
Peak:m/z	Relative Intensity
71.13880	0.8
78.04712	0.3
85.02914	0.8
94.16473	0.4
96.18274	0.4
101.00884	0.7
108.34406	0.4
115.94077	0.4
119.01935	1.9
127.03884	0.4
131.01927	0.5
134.80528	0.5
143.01927	3.4
143.02991	0.7
145.03456	0.5
155.01936	1.6
157.03485	0.8
161.02965	2.8
173.02956	2.2
185.02986	1.8
187.04608	0.5
197.03035	0.6
203.03751	0.6
203.05457	0.9
215.04082	0.7
227.04074	1.1
245.04939	6.9
254.09299	1.8
263.07498	8.9
273.34094	0.4
275.06314	0.7
283.08936	0.6
293.07202	0.6
305.08554	3.6
335.09454	1.0
365.09882	0.5
407.11703	1.6
425.12680	100.0
426.13025	2.3
441.14432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
62.26511	0.5
69.61807	3.1
91.05457	1.5
98.20801	1.1
103.03964	0.8
110.50177	0.5
118.32103	0.5
123.04430	1.7
127.03928	0.6
139.03882	0.7
147.04454	0.9
163.06017	0.6
181.46843	0.5
203.03304	0.6
215.42200	0.5
245.04431	0.7
281.10425	0.7
293.09964	1.0
299.05530	1.0
321.85077	0.6
353.85226	0.6
407.07913	0.9
425.14200	100.0
426.14261	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.05507	12.0
56.87678	2.6
57.07069	6.0
65.03928	3.6
67.05514	23.7
69.07073	18.6
69.26655	27.9
79.05502	26.1
81.07063	54.5
83.08610	7.9
89.06009	2.7
91.05486	60.3
93.07047	33.5
95.04951	7.0
95.08615	38.0
97.06535	13.5
105.07034	73.3
107.04935	3.8
107.08604	26.2
109.10165	19.4
111.04478	3.1
113.00014	3.3
115.05485	3.1
117.07054	14.7
119.08595	52.5
121.06496	3.3
121.10171	18.0
123.11716	8.5
125.05994	26.6
128.06204	3.0
129.07027	9.4
131.08578	25.4
133.06506	3.4
133.10152	19.9
135.08020	7.5
135.11705	9.2
137.06017	2.5
139.07574	4.8
140.31436	2.5
141.06969	3.5
142.07777	12.7
143.08568	16.5
144.09259	3.9
145.10143	16.0
147.11656	7.9
149.09677	3.6
149.13248	10.4
151.07439	3.9
155.08578	11.9
156.09277	4.0
157.10155	51.5
159.11702	100.0
161.09595	6.2
161.13274	59.9
161.31357	2.7
163.14853	10.7
169.02730	3.4
169.10159	7.9
171.11717	7.6
173.13261	12.4
175.11188	7.4
175.14893	8.3
177.12735	23.7
181.10039	6.9
183.11723	11.1
185.13274	3.8
187.14833	3.8
189.12766	5.6
189.16354	3.7
195.11778	6.4
197.13271	6.3
199.14745	5.5
201.16423	3.7
205.12312	5.2
207.13837	11.0
209.13258	5.7
211.11270	3.0
211.14850	5.9
213.16473	3.8
223.14886	3.6
225.16466	4.3
227.17899	3.0
229.12399	5.0
235.14584	3.3
239.18011	2.7
241.12160	3.3
249.16406	6.9
263.18027	4.6
286.59155	2.7
309.25839	9.5
313.27203	3.4
319.24124	22.1
321.25748	7.0
337.25180	24.2
365.24713	28.3
385.34253	2.7
394.09839	2.6
425.26624	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	425.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78888	0.5
55.95960	0.5
56.96539	0.6
69.33991	3.5
69.34399	1.2
98.97592	5.5
100.58240	0.6
116.98629	3.4
119.01919	0.8
134.99670	0.8
177.00967	1.8
185.86626	0.5
192.98964	0.9
199.88487	0.6
216.98958	4.5
219.02058	0.9
222.97989	1.0
233.77473	0.5
235.00035	13.8
235.99982	1.5
240.98843	5.6
249.98619	0.8
253.01059	2.5
259.00009	40.6
260.00061	5.0
261.00150	1.1
261.03134	2.4
263.02991	0.9
264.98737	3.1
273.98792	1.5
277.01059	32.5
278.01157	5.0
279.01099	1.1
282.01462	0.6
283.00006	72.2
284.00119	8.2
284.99902	1.4
291.99841	1.5
300.02612	1.0
301.01074	100.0
302.01147	9.6
303.01013	2.1
315.02457	0.9
319.02097	5.3
324.02731	2.7
336.62030	0.6
359.00204	0.6
364.99124	1.6
381.71408	0.7
383.00378	0.8
401.01645	4.0
402.01392	2.2
407.00140	5.2
425.01181	38.3
426.01230	3.8
443.02277	88.1
444.02438	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	425.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01869	0.7
56.26128	0.2
67.05508	0.4
68.99805	1.8
69.03438	0.3
70.03781	0.2
70.76495	0.5
73.02884	0.4
81.03410	0.8
85.02900	0.5
90.47636	0.2
91.05487	0.3
93.07068	0.3
95.08611	0.4
98.97632	0.2
107.08575	0.2
109.02857	0.4
111.04509	0.3
115.05460	0.4
117.06996	0.4
119.04900	0.3
119.08606	0.3
121.02885	1.0
123.04429	2.1
127.03923	1.9
129.07005	0.3
133.06488	0.3
135.04457	0.3
137.02353	14.7
137.03404	1.0
138.09143	0.5
139.02924	0.4
139.03906	4.3
139.05492	0.3
141.07005	0.4
143.04935	0.4
145.06418	0.5
147.04427	0.8
149.02374	1.4
151.03853	0.6
153.01901	0.4
155.04884	0.3
157.06497	0.7
157.23827	0.2
160.56628	0.2
161.05989	1.0
163.03911	1.5
165.01837	0.6
167.03491	0.3
167.05005	0.2
169.06508	0.6
171.04430	0.8
173.05966	0.6
175.04001	1.1
175.07553	0.3
177.01866	0.5
177.05446	0.3
178.22742	0.2
179.03340	0.2
183.04446	0.4
185.06013	1.0
189.05461	1.6
191.03456	0.3
195.04355	0.3
197.05952	0.8
199.03876	1.2
201.05490	1.0
203.03377	2.1
203.07079	0.3
213.05495	2.1
215.07051	0.4
217.05051	0.5
218.05760	0.4
225.05502	0.5
225.15681	0.2
227.03416	1.0
229.04976	2.2
231.06430	1.3
241.05031	1.0
242.05893	0.3
243.06473	0.5
245.04489	2.4
247.06087	1.8
253.05006	0.7
255.06525	0.4
257.04462	9.9
258.05075	0.8
259.05984	1.3
262.14465	0.6
263.14880	1.2
269.04523	0.9
271.06027	1.6
273.07413	0.3
275.05634	0.3
280.58838	0.3
281.04477	0.6
287.05511	100.0
288.05832	2.4
299.05518	12.0
389.06711	0.5
407.07382	1.5
425.08548	5.0
425.19138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.05502	15.8
57.03432	3.6
59.04981	4.3
61.02920	4.3
67.05500	7.3
69.03419	10.7
69.07066	31.9
69.17453	3.3
70.81013	9.6
71.04971	8.7
75.23006	4.4
77.40643	3.6
79.05484	5.3
81.03400	3.5
81.07058	9.1
83.04964	16.1
83.08602	12.9
83.52334	3.2
85.02895	19.9
85.06540	6.7
87.10368	3.8
91.05464	7.0
93.07051	18.1
95.04965	47.3
95.08590	10.4
97.02879	9.7
97.06526	4.8
99.04446	7.5
101.04259	4.2
105.07025	13.0
107.08599	22.9
109.06519	12.0
109.10155	16.8
111.08064	8.5
112.07608	4.4
118.54497	3.4
119.08578	5.7
121.10160	57.2
123.04475	3.7
125.09660	5.2
127.03899	7.9
130.03265	5.8
133.10159	20.7
135.11720	5.5
136.07506	3.8
139.03879	12.7
139.11208	31.3
140.07111	5.0
149.13274	6.3
151.11182	20.5
153.09062	15.3
163.03865	3.7
163.14810	11.4
164.07085	5.2
167.07141	4.5
167.14316	23.4
172.04253	10.4
173.13257	10.9
176.07132	8.0
181.08685	4.7
191.14250	22.0
209.15382	100.0
209.17355	6.2
216.06851	16.9
227.16336	5.6
231.05243	3.8
245.04559	6.1
257.04312	5.5
262.07449	4.2
343.08899	5.0
407.07404	5.3
424.16110	5.5
425.08438	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	424.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01871	10.1
55.05495	23.9
57.07079	27.2
62.55033	5.4
67.05508	48.5
69.07095	24.7
70.24303	15.7
71.05000	11.5
71.08627	14.8
79.05498	14.7
81.03439	9.6
81.07070	62.5
82.07383	5.4
83.04980	7.7
83.08612	15.1
85.06548	12.9
85.10170	13.8
89.06037	31.6
91.05476	34.2
92.05811	5.4
93.07051	84.2
94.07376	5.6
95.04974	12.9
95.08613	61.3
97.02889	20.7
97.06509	12.7
97.10137	6.9
98.21492	8.1
99.04446	7.3
99.11716	5.9
105.07043	53.0
107.08607	41.7
109.10166	78.7
111.08086	23.6
113.09630	5.8
117.07014	12.8
119.08577	48.0
120.08872	7.1
121.10156	45.4
123.11690	13.2
125.09618	9.2
127.03976	5.8
127.11197	43.5
131.08566	20.3
133.08600	17.2
133.10144	36.4
135.11729	18.7
145.10136	48.5
147.11676	16.9
149.13261	8.4
157.10155	8.1
159.11691	52.5
160.12024	8.8
161.13260	100.0
163.11127	7.0
173.13272	15.9
175.14824	14.1
177.16432	9.5
179.14357	9.5
201.16417	61.5
219.17470	71.1
225.09000	5.9
236.77968	5.4
237.18478	20.8
239.14856	14.9
407.33545	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	424.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	2.5
67.05521	2.5
69.03432	5.4
69.07057	6.4
70.07411	4.4
70.56245	5.5
79.05508	2.4
81.03385	3.0
85.02916	13.3
91.05479	3.8
93.07040	2.9
95.04978	2.8
97.02888	5.6
98.20843	2.0
98.97594	2.9
101.04240	17.6
102.04563	5.2
103.05465	7.2
107.04943	3.6
109.02870	2.5
113.03153	1.5
116.98596	2.0
121.06499	9.1
123.04444	3.4
127.03874	2.0
131.04918	6.1
135.04408	1.6
137.05971	6.6
140.04674	3.4
140.07063	2.7
141.07388	2.7
149.05968	16.8
155.06984	2.5
159.04393	4.1
167.07051	100.0
172.04277	29.0
173.04659	15.7
177.05476	39.3
209.08099	35.7
214.05417	2.0
215.05534	2.7
225.82210	2.1
227.09163	71.4
244.06505	2.7
261.08893	3.0
262.09439	4.9
378.14124	5.0
387.28134	2.2
422.04413	2.0
424.14609	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
54.78695	2.4
55.01862	2.5
55.05511	14.2
57.07060	3.2
57.86967	2.5
67.05509	44.4
69.07076	37.8
70.25853	11.1
71.05010	3.0
71.08664	2.3
78.85271	2.3
79.05495	39.7
81.07064	85.9
83.04993	2.9
83.08617	13.6
85.06568	2.8
91.05483	42.9
93.07048	63.8
95.04993	5.4
95.08615	72.0
97.06540	3.1
97.10191	6.3
105.06384	5.1
105.07036	63.5
107.04988	3.1
107.08595	61.9
109.10165	60.1
109.10904	2.6
115.05481	2.9
117.07048	17.0
118.22836	2.6
119.08592	64.6
121.10152	55.7
123.11708	25.1
128.06233	2.9
129.07010	11.0
131.08574	30.5
133.10146	57.7
135.08014	2.6
135.11682	34.9
137.13272	8.2
141.07065	3.1
142.07750	4.0
143.08563	16.9
144.09312	3.8
145.10127	40.1
147.08005	3.1
147.11685	44.7
149.13248	19.7
151.07603	4.3
151.14806	2.9
155.08638	5.2
155.75908	2.6
157.10124	15.2
159.11693	32.9
161.13289	33.6
163.11160	2.7
163.14801	13.8
169.10184	6.0
171.11743	12.2
173.13254	12.6
175.11217	3.7
175.14815	23.7
177.16408	21.1
183.11707	5.0
185.13344	7.3
187.14787	17.4
189.16376	20.6
191.07059	2.5
191.18044	8.1
193.15883	2.7
197.13281	4.8
199.14833	9.9
201.16374	39.1
203.17969	23.1
205.15906	3.2
205.19453	3.1
211.14874	3.9
213.16446	6.8
215.17957	27.9
217.15968	6.1
217.19487	41.3
219.17491	8.4
227.17990	5.6
229.19611	6.4
239.10675	2.7
241.19565	8.7
243.21049	3.3
247.20613	2.6
253.19656	3.9
255.20988	3.8
270.68362	2.7
281.22708	6.2
321.25919	6.1
335.27411	3.7
339.27045	2.6
349.28952	4.0
354.61725	2.7
405.35196	43.1
423.27191	5.3
423.36325	100.0
424.36349	4.0
437.70593	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	423.2743
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03941	12.7
54.39583	5.3
55.01875	10.4
55.05521	39.4
56.80851	5.4
57.03450	8.0
65.03925	6.9
67.05511	73.8
69.03431	23.6
69.07069	32.1
71.04989	11.8
71.55633	7.7
73.02878	6.5
78.84426	4.6
79.05504	62.0
80.82959	5.1
81.03419	28.0
81.07066	100.0
83.04978	18.0
83.08612	14.7
85.02909	9.7
91.05489	68.3
93.07044	80.3
95.04976	17.2
95.08618	74.4
97.02899	24.4
97.06516	14.3
97.10154	6.7
99.04440	7.0
105.07032	69.7
107.04982	6.6
107.08606	53.4
109.06496	9.8
109.10162	43.7
111.04446	9.6
111.08076	8.8
114.12025	6.4
117.07018	30.6
119.08586	52.5
121.06521	9.8
121.10180	38.7
123.08072	8.7
123.11842	6.9
127.03929	8.2
129.07011	15.6
130.43300	5.4
131.08589	41.3
133.06491	5.8
133.10173	35.3
135.08066	6.6
135.11688	26.6
137.06133	7.0
137.13370	5.1
141.06953	8.5
143.08568	19.4
145.06526	5.8
145.10136	36.8
147.08041	9.6
147.11700	32.7
149.13280	13.6
153.09140	5.9
155.08543	9.8
157.06468	5.7
157.10127	20.7
159.11664	28.1
161.09592	10.3
161.13312	25.5
163.11176	12.7
163.14799	6.5
169.10165	14.3
171.11703	12.9
173.13319	29.4
175.11182	9.0
175.14763	10.2
183.11716	11.6
185.13235	13.9
187.14842	13.8
193.72679	6.9
199.14841	11.4
201.16391	9.5
209.13412	7.3
223.74806	5.6
259.20599	9.7
261.22205	16.7
273.22186	7.6
277.21442	7.5
301.21573	5.6
303.23029	12.6
341.24551	6.8
351.23288	7.8
369.24249	20.8
387.25244	37.5
405.26471	38.9
423.27142	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01873	7.6
55.05524	23.8
57.03439	7.3
57.07069	4.1
57.31607	3.2
59.05000	4.2
67.05511	100.0
69.03419	15.5
69.07073	28.0
70.33878	6.6
70.34250	10.4
72.87118	3.1
76.33224	3.1
79.05065	3.6
79.05500	50.1
81.03431	26.8
81.07061	82.6
83.04980	8.8
83.08620	17.5
85.02872	9.6
85.06586	3.6
91.05479	46.7
93.07049	73.9
95.04956	12.8
95.08611	49.8
97.02888	5.0
97.06518	10.6
97.10170	6.7
99.04460	5.2
103.05465	4.3
105.07031	44.3
107.04947	5.1
107.08605	36.8
109.06519	11.7
109.10174	55.8
111.04464	3.4
111.08054	4.1
115.05472	5.1
117.07014	22.6
119.08585	42.9
121.06525	8.7
121.10130	27.0
123.08038	7.0
123.11684	5.7
128.06252	4.7
129.06984	12.9
131.08578	35.9
133.06454	6.0
133.10127	26.4
135.08017	10.2
135.11653	19.0
137.09630	5.8
137.13329	3.4
141.07021	5.8
142.07735	5.7
143.08557	15.6
145.10120	24.1
147.08029	4.8
147.11710	18.5
149.02159	4.4
149.09717	3.6
149.13213	12.5
151.07545	17.1
155.08594	7.8
155.10638	3.9
157.10159	16.1
159.08086	5.9
159.11722	33.4
161.09584	8.9
161.13245	13.0
163.07571	3.9
163.14893	5.6
165.09001	3.6
166.07703	4.3
169.10139	8.1
171.11668	11.4
173.09634	5.1
173.11852	6.3
173.13287	12.1
175.11174	8.4
183.11693	7.8
185.13292	4.4
187.11226	5.2
187.14798	5.4
189.12700	4.1
195.11697	4.1
195.13768	4.8
197.13255	6.4
199.11029	4.5
199.14790	4.9
201.12833	3.6
201.16345	4.3
205.43013	3.7
208.05722	3.2
209.13313	5.2
213.16447	4.6
219.17525	3.6
259.20526	5.5
261.22144	12.3
273.22119	4.2
277.21579	6.8
289.21619	4.1
303.23141	8.2
369.24100	10.0
387.25220	15.0
405.26282	9.9
423.25919	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96143	3.3
53.03955	15.0
55.01882	18.9
55.05516	25.2
57.03424	8.8
57.07084	4.8
58.06816	3.2
65.03963	4.0
66.47540	2.9
67.05510	100.0
67.05873	5.3
68.77741	2.9
69.03435	46.0
69.07084	20.4
69.88226	10.3
69.88638	6.8
71.01336	4.4
71.05003	18.3
73.02906	10.8
77.28453	3.3
79.05498	76.5
81.03428	42.8
81.07062	99.3
83.04987	8.0
83.08615	9.3
83.73701	3.1
85.02904	13.7
91.05486	48.0
93.07052	90.7
95.04942	8.5
95.08611	77.3
96.75228	3.2
97.02897	83.2
97.06538	6.9
99.04458	57.7
101.02366	4.1
105.07031	37.5
107.08604	42.3
109.02892	22.8
109.06541	4.5
109.10168	30.8
111.04475	5.8
111.08108	4.2
117.07018	19.0
119.08581	31.8
121.10152	47.2
123.08101	8.0
123.11670	9.7
127.03931	67.8
129.07022	3.9
130.11201	3.0
131.08582	23.3
133.10139	18.6
135.08055	5.7
135.11684	32.5
143.08530	5.9
145.04976	10.8
145.10132	21.3
147.11725	19.7
149.13251	11.2
153.12755	3.7
159.11728	17.4
161.13213	18.9
163.11214	4.0
163.14839	4.3
165.12816	4.8
171.11670	5.4
173.13293	13.9
175.14807	6.2
179.14449	4.5
185.13348	5.3
187.14769	8.1
201.12703	4.2
201.16467	3.8
231.02707	3.6
243.21181	3.6
259.20502	7.2
261.22147	28.6
277.21768	3.5
387.25116	4.0
423.27130	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79971	2.8
53.03951	12.1
55.01867	12.0
55.05511	29.0
57.03442	6.4
57.07083	8.4
59.65603	3.0
60.10606	2.9
65.03944	3.2
67.05511	96.1
69.03430	22.8
69.07076	18.5
70.88037	6.0
70.88355	3.7
71.04995	10.3
79.05056	7.0
79.05496	88.1
81.03417	24.6
81.07061	100.0
83.04995	6.0
83.08630	13.7
85.02916	6.2
91.05484	62.7
93.07053	83.0
95.04992	9.0
95.08614	69.8
97.02901	73.6
97.06544	5.4
97.10165	4.8
99.04468	31.6
105.04573	3.4
105.07036	47.9
107.04981	4.0
107.08603	57.2
109.02884	13.1
109.06535	6.8
109.10169	32.0
117.07027	25.3
119.08587	43.6
121.10152	52.2
123.11719	13.0
125.09652	4.0
127.03932	32.2
127.11255	3.5
128.06245	6.4
129.07022	9.8
131.08586	38.4
133.10150	31.4
135.08116	4.1
135.11702	29.9
137.13251	4.9
142.07771	6.2
143.08580	12.9
145.04973	4.6
145.10141	31.2
147.08095	3.7
147.11703	22.2
149.13290	12.8
151.07570	13.6
155.08566	5.8
157.10121	11.1
159.11710	40.2
161.09712	6.2
161.13260	20.1
163.14819	7.4
169.10175	5.3
171.11713	10.6
173.11876	3.6
173.13327	16.3
175.11244	6.8
175.14838	6.4
179.14311	3.4
181.10013	4.0
183.11821	5.8
185.13309	7.7
187.14821	11.2
199.14822	5.6
201.12775	4.1
201.16371	8.4
243.21063	9.2
259.20697	8.2
261.22134	36.2
300.56448	3.4
322.21692	3.6
329.24869	7.0
339.23090	4.3
357.24438	8.2
423.26083	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17540	4.2
53.03953	7.8
55.01860	8.1
55.05508	24.0
56.83424	4.3
57.03445	6.9
57.07073	5.2
65.03902	4.5
67.05511	82.7
69.03435	32.3
69.07072	35.1
69.31304	7.9
69.31709	34.3
71.04997	10.0
71.08622	4.8
75.74181	4.1
79.05502	54.6
81.03432	37.7
81.07059	100.0
83.04980	17.6
83.08624	15.5
85.02919	13.3
91.05478	60.1
93.07049	79.2
95.04973	16.9
95.08608	81.5
97.02898	7.6
97.06548	10.7
97.10128	6.1
98.20733	8.8
98.21400	13.9
99.04444	6.6
99.08138	5.4
103.03976	6.9
105.07037	60.5
107.04932	5.0
107.08602	47.9
109.06492	11.5
109.10163	41.8
111.04414	5.3
111.08105	8.4
117.07033	23.5
119.08600	52.6
121.06541	10.5
121.10141	42.3
123.04416	5.1
123.11711	17.8
127.03868	8.3
128.06227	5.7
129.06975	11.3
131.08580	49.9
133.06477	5.1
133.10121	49.7
135.08017	7.2
135.11676	20.8
137.13245	7.4
142.07805	9.0
143.08591	14.0
145.10162	35.9
147.08098	12.3
147.11707	26.3
149.09645	9.2
149.13287	19.1
151.07472	4.5
153.09148	4.5
155.08562	11.1
157.10136	19.9
159.11693	39.0
161.09654	5.7
161.13287	23.1
163.14871	7.6
169.10156	12.1
171.11703	15.5
173.13277	17.7
175.11214	9.3
175.14883	9.5
177.16341	4.4
183.11732	11.0
185.13289	14.1
187.11230	7.9
187.14879	8.3
193.10138	6.9
193.12065	5.1
195.11723	6.2
197.13329	6.2
199.11238	5.3
201.12773	7.3
211.14883	5.5
215.83542	4.3
241.19495	6.2
253.96947	4.7
259.20578	13.3
261.22119	11.9
275.23804	6.8
277.21771	7.2
285.22073	6.8
303.23148	21.3
315.23239	6.1
319.22684	5.6
327.23007	6.4
341.24658	7.5
345.24289	7.8
351.22964	7.7
369.24301	16.4
387.25217	25.7
405.26501	27.4
423.27011	22.0
423.32147	6.7
431.62811	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.01864	9.5
55.05515	18.3
57.03422	7.4
57.07055	2.5
65.03934	3.5
67.05508	70.4
69.03425	10.3
69.07069	16.8
70.15008	9.2
70.15354	2.6
71.05001	11.2
73.02927	5.8
73.57215	2.2
78.97318	2.2
79.05061	4.6
79.05499	69.2
81.03411	12.5
81.07060	82.0
83.04986	3.4
83.08614	9.0
85.02901	4.8
85.06567	3.1
88.14823	2.2
91.05487	36.7
93.07047	65.8
95.04983	10.3
95.08609	57.1
97.02897	100.0
97.06513	3.9
97.10189	5.9
99.04458	51.2
105.06398	3.1
105.07040	35.2
107.08606	39.9
109.02886	14.9
109.06453	2.6
109.10161	34.5
111.08098	2.5
117.07027	14.2
118.89147	2.6
119.08580	37.1
121.10147	40.8
123.11729	9.9
127.03913	29.7
129.06996	4.6
131.08574	21.8
133.10149	23.8
135.11699	27.8
143.08536	3.3
145.04930	14.9
145.10114	16.5
147.11716	16.4
149.13258	15.2
151.11234	3.2
157.10107	6.3
159.11696	18.9
161.13251	15.5
163.14824	6.7
171.11723	5.4
173.13264	10.8
175.14844	6.9
177.16562	2.9
183.11732	3.9
187.14812	6.8
195.11688	2.8
197.42900	2.3
199.14767	3.2
201.16377	5.3
217.15884	5.6
233.60495	2.5
243.21141	4.8
261.22192	28.0
278.20114	2.4
423.25464	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01873	5.2
55.05513	26.4
57.03433	8.5
57.07065	7.3
59.04992	2.5
59.17662	2.0
60.02972	2.1
65.03951	2.9
67.05511	70.5
69.03437	18.0
69.07072	28.4
69.40515	9.9
69.40944	7.7
71.04980	6.5
73.02918	2.9
74.68900	2.1
79.05500	54.4
81.03429	27.1
81.07064	100.0
83.04982	5.8
83.08625	15.3
85.02917	6.3
85.06562	2.6
87.04449	2.5
91.05487	55.9
93.06467	4.3
93.07050	71.1
93.25606	2.3
95.04976	14.9
95.08618	74.0
97.02905	9.8
97.06535	9.6
97.10172	7.8
98.21535	3.7
99.04464	4.2
100.50742	2.0
103.03928	3.1
105.07040	79.1
107.04953	8.5
107.08608	61.6
109.02882	6.7
109.06528	7.5
109.10164	43.1
111.04441	7.3
111.08082	5.4
112.55132	2.0
115.05479	4.4
117.07011	24.1
119.08591	66.3
121.06524	6.8
121.10163	39.5
123.04417	4.4
123.08096	5.8
123.11728	16.0
125.09665	4.1
127.03919	4.4
128.06201	3.9
129.07010	12.4
130.07777	4.5
131.08578	53.5
133.06499	5.6
133.10139	49.1
135.04443	2.8
135.08086	6.7
135.11716	29.7
137.13249	4.8
141.06987	6.3
142.07829	3.2
143.08574	21.4
144.09378	4.5
145.05028	2.2
145.06459	4.0
145.10136	46.6
147.07982	2.9
147.11685	36.2
149.09648	6.1
149.13283	24.3
151.07588	6.5
155.08557	7.1
157.10144	19.0
159.08026	3.6
159.11697	45.4
161.09604	4.3
161.13258	23.5
163.11162	3.5
163.14824	10.0
165.09142	2.2
167.08551	2.8
169.10176	9.5
171.08113	3.9
171.11739	13.0
173.09647	5.2
173.13283	19.9
175.11168	8.7
175.14876	12.3
177.12825	4.2
177.16388	4.6
183.11685	11.2
185.13277	10.7
187.11145	3.2
187.14862	13.7
189.12796	4.8
189.16417	16.0
191.14558	2.6
193.08560	2.7
193.10193	3.5
195.11664	5.5
197.09560	2.2
197.13324	5.2
199.11165	3.2
199.14851	13.2
201.12756	2.8
201.16383	16.0
203.14345	3.4
203.18028	18.3
207.11751	3.5
209.13286	4.0
211.11223	3.2
211.14850	3.9
213.16418	5.9
215.17931	12.5
225.12544	2.5
225.16382	3.1
227.17990	4.2
229.19524	3.2
233.15254	2.5
239.18025	2.7
241.19635	6.9
243.21213	5.4
253.19377	3.7
255.21245	5.4
259.20618	9.6
261.22195	9.7
277.21582	3.6
281.22705	2.6
283.24088	3.4
285.22101	4.4
289.21777	2.6
291.23230	4.9
301.21573	4.7
303.23300	13.4
325.01566	2.3
327.23154	3.9
341.24698	4.0
345.24261	3.5
351.23312	2.8
367.64368	2.2
369.24387	13.1
387.25269	13.3
405.26556	18.0
405.35196	16.3
423.27945	13.0
423.36444	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01866	8.0
55.05517	31.1
57.03431	8.9
57.07064	4.0
57.26151	3.0
65.03944	4.3
65.86195	3.0
66.66891	3.0
67.05508	86.9
69.03426	30.6
69.07077	29.1
69.40521	25.6
70.49605	2.7
71.04993	7.3
73.02937	3.6
79.05067	5.0
79.05499	77.8
81.03420	31.6
81.06581	5.0
81.07061	100.0
83.04979	12.8
83.08616	12.6
85.02882	10.0
85.06532	5.4
87.04443	3.2
91.05485	66.1
92.71804	3.3
93.06470	5.3
93.07055	78.7
95.04975	19.4
95.08620	64.8
97.02896	9.2
97.06515	7.1
97.10158	6.4
99.04443	6.7
103.05487	3.9
105.06384	5.1
105.07040	65.7
107.04967	6.0
107.08600	44.2
109.02908	4.0
109.06491	7.3
109.10152	32.7
111.04453	9.8
111.08131	3.1
111.11781	2.7
115.05389	2.8
117.07030	23.4
119.08593	54.3
121.06513	7.8
121.10161	38.3
123.04381	4.1
123.08086	5.5
123.11702	13.1
125.09601	4.2
127.03865	4.7
128.06232	3.8
129.05484	5.5
129.07016	14.3
131.08578	35.7
133.06540	3.3
133.10130	33.1
135.08043	7.3
135.11705	27.8
137.09631	4.3
141.06999	5.8
142.07739	5.5
143.08600	15.7
145.06465	3.9
145.10147	34.0
146.10938	2.9
147.08101	7.5
147.11702	31.6
149.09586	6.9
149.13278	15.9
151.07607	4.9
151.11166	4.3
155.08543	9.4
157.06497	3.7
157.10120	22.6
159.08095	4.5
159.11688	37.8
161.09575	3.8
161.13249	18.2
163.11145	4.5
163.14857	6.5
167.08479	3.0
169.10088	7.5
171.11713	12.3
173.09610	5.2
173.13254	19.0
175.11188	7.9
175.14824	11.2
179.08595	3.6
181.10143	4.5
183.11739	7.8
184.74376	2.9
185.13251	9.5
187.11189	4.5
187.14824	10.4
189.12741	4.3
191.06905	3.9
195.11708	7.4
197.13173	5.3
199.11145	3.3
199.14847	8.2
201.12860	2.8
207.13795	3.3
211.11272	3.6
217.15976	3.3
241.19588	5.5
251.77208	3.2
259.20560	14.7
261.22159	21.9
275.23645	4.0
277.21582	5.4
289.21600	8.1
291.23288	4.7
301.21732	4.9
303.23233	11.5
315.23434	4.7
325.85223	2.9
327.23291	6.0
345.24173	4.7
351.23236	5.2
359.26071	3.1
369.24271	18.7
371.32083	3.1
381.31677	2.9
387.25375	16.6
405.26541	23.7
423.27551	15.3
423.36725	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01877	21.9
55.05523	24.1
57.03439	7.2
67.05177	6.4
67.05511	100.0
69.03442	47.7
69.07081	19.7
69.07374	3.8
71.04981	14.7
71.15292	5.5
71.15606	4.3
73.02914	7.6
79.05064	5.9
79.05501	78.1
81.03426	43.0
81.07063	96.4
83.04967	5.0
83.08608	9.3
85.02898	14.9
87.04417	4.4
91.05483	50.8
93.07049	78.9
94.34460	4.0
95.04950	8.0
95.08611	75.0
97.02364	6.2
97.02900	66.5
97.07990	3.8
97.10115	5.4
99.04458	55.9
105.07045	33.9
107.08601	46.0
109.02893	31.1
109.06522	7.5
109.10173	34.1
111.04466	5.5
111.08105	4.2
115.03970	4.8
117.07046	19.4
119.08597	40.8
120.61663	3.4
121.10152	48.2
123.11707	16.0
127.03924	63.6
129.05457	3.7
129.07016	5.9
131.08574	28.5
133.10158	27.4
135.11725	22.6
137.13260	4.8
143.08563	4.0
145.04938	7.0
145.10149	23.0
147.11708	22.3
149.13252	15.1
157.10126	6.9
159.11662	22.0
161.13307	12.5
163.14864	8.6
170.94067	3.9
171.11609	5.2
173.13237	12.6
175.14862	6.2
177.16307	4.4
187.14859	5.6
259.20615	12.1
261.22198	30.5
271.63101	3.6
277.21616	4.7
379.81656	4.6
402.42209	4.4
423.22495	5.9
423.27301	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	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52161	1.2
67.54378	1.2
70.73070	3.2
78.04735	2.9
79.05499	4.4
81.07062	1.6
85.06561	1.3
91.05479	2.9
93.07029	1.6
95.04984	3.4
103.05479	5.2
103.12019	1.4
105.07053	9.5
106.04138	1.4
107.04965	7.7
114.46194	1.4
115.05474	1.4
121.06516	2.9
123.04430	10.0
124.05209	4.2
129.06990	1.3
131.04970	5.4
133.06499	6.3
135.04430	1.7
137.05978	4.3
143.04883	1.3
145.06532	2.4
147.04431	2.3
151.07544	2.7
152.04671	1.8
161.05983	7.5
163.07550	14.6
167.07065	100.0
168.07545	4.0
169.07805	1.4
175.07588	1.8
179.07050	3.4
181.04900	1.7
181.08640	4.0
187.07564	2.7
193.08615	13.2
201.09225	2.3
205.08678	1.5
219.10255	2.2
226.09857	1.4
233.11696	1.8
237.11197	1.6
261.07666	1.4
262.10907	1.5
323.12637	2.0
355.15497	2.2
374.45337	1.5
423.19995	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	423.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70118	0.4
53.03944	0.6
55.01883	0.7
62.48600	0.4
67.05502	0.7
71.58024	0.6
78.04719	3.5
79.05499	4.0
81.07065	1.1
83.71451	0.4
85.61817	0.5
86.09721	0.5
91.05482	2.9
93.07040	0.7
95.04970	1.6
95.08608	1.0
96.05737	0.6
103.04943	0.4
103.05482	4.0
105.07036	5.3
106.04179	2.1
107.04967	7.0
107.08591	0.6
109.06510	0.9
115.05471	2.6
117.07014	1.6
119.04895	0.6
121.06496	1.6
122.03683	0.8
123.04438	9.2
123.08040	1.1
124.05203	3.2
128.06253	0.7
129.06998	1.1
131.04938	5.7
131.08600	0.8
132.05765	0.7
133.06497	4.9
134.03659	0.8
135.08066	0.9
137.05963	3.2
141.06976	1.2
143.04903	1.4
144.05722	0.8
145.06525	3.0
145.10123	0.6
147.04396	1.7
147.08080	0.6
149.05984	1.0
151.03912	2.5
151.07559	3.1
152.04706	2.3
153.05551	0.8
158.07295	0.9
159.08072	2.0
160.05136	0.7
161.05977	6.5
161.27094	0.5
163.07562	12.9
163.08957	0.7
164.08006	0.5
167.07051	100.0
168.07527	1.7
172.05298	0.5
173.05948	1.6
173.09598	1.3
175.07535	2.7
177.09167	1.6
179.07076	2.1
179.08948	0.8
181.08620	4.2
184.99521	0.5
187.07533	2.8
189.09129	0.8
191.07133	0.6
192.07834	0.9
193.08615	16.9
193.10301	0.9
201.09132	1.3
203.08641	0.7
205.08578	0.9
219.08208	0.6
219.10162	1.4
233.11691	3.0
237.11278	2.0
243.10287	0.5
244.10367	0.6
248.08266	0.8
263.10852	0.9
289.05829	0.8
291.10352	0.8
323.12738	1.9
355.15567	2.7
372.58862	0.6
387.18182	1.1
406.17136	0.5
423.20111	3.0
432.67624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
67.66249	1.3
70.35494	4.9
78.04707	2.0
78.52448	1.3
79.05519	3.3
87.66297	1.3
91.05463	3.4
94.98111	1.2
95.04947	2.1
103.05484	3.9
103.92553	1.4
105.07023	5.7
106.04186	2.0
107.04971	6.5
115.05442	4.0
119.04976	1.6
121.06549	1.4
123.04462	8.3
124.05218	4.6
129.06989	1.2
131.04924	7.1
133.06490	3.8
137.05968	5.4
143.04919	5.1
144.05264	2.9
145.06339	1.6
151.03932	2.1
151.07567	2.0
152.04729	2.4
161.05980	5.3
162.89908	1.3
163.06406	2.2
163.07552	12.7
167.07056	100.0
175.07526	3.8
176.07990	1.4
177.09167	1.7
178.08656	7.9
179.07051	1.3
179.08945	6.0
181.08658	4.3
183.51199	1.4
187.07571	2.5
189.85773	1.4
193.08650	15.1
212.24538	1.2
219.10191	3.2
222.16243	1.2
233.11713	3.5
236.08199	1.4
269.11230	1.8
323.12781	2.2
323.88763	1.4
355.15613	3.2
393.26898	1.4
406.17703	2.5
423.20547	6.6
423.24921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2014
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
53.23080	1.2
64.18150	1.1
69.50560	9.3
74.83849	1.2
78.04712	4.8
79.05495	5.1
81.10184	1.3
82.61222	1.3
91.05481	3.0
95.47039	1.2
103.05448	2.9
105.07047	6.8
106.04152	2.8
107.04966	7.4
109.06549	1.6
115.05459	3.9
119.04922	1.3
121.06541	1.3
122.74100	1.1
123.04433	8.5
124.05222	3.3
125.15230	1.3
131.04958	7.7
133.06508	3.7
137.06070	2.1
144.05786	1.6
145.06494	2.6
151.07541	3.1
152.04701	2.2
155.34294	1.2
161.06017	7.3
163.07567	15.4
167.07050	100.0
177.08968	1.7
179.07062	2.0
181.08600	3.8
187.07573	2.8
193.08630	16.3
201.09172	2.5
219.10239	2.2
230.56454	1.3
233.11702	2.7
237.11351	2.1
275.94028	1.2
295.13458	1.3
323.12808	1.9
355.15344	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	423.1436
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
53.03957	0.7
57.03433	0.9
58.99598	6.4
60.04527	0.6
61.02918	1.7
64.42277	0.6
67.05505	7.9
69.03442	4.7
69.06726	1.1
69.07077	17.3
70.06599	6.4
71.34114	0.9
73.01139	0.9
76.02238	3.0
81.03400	2.3
84.08140	0.9
85.02435	0.8
85.02915	10.4
86.06072	2.7
91.03941	0.6
93.07054	0.7
95.04967	2.6
97.02900	5.0
98.97559	0.9
99.02679	2.7
99.04482	1.2
101.04254	44.7
103.03889	0.7
105.58094	0.6
109.02876	1.0
110.06066	1.1
112.07599	2.1
125.04211	1.0
126.05543	0.8
127.02156	5.1
127.03933	2.2
127.05795	2.9
129.03726	3.0
132.06602	0.7
136.07567	1.0
138.05472	1.0
140.07088	8.1
155.01677	1.6
161.02968	0.9
162.06017	0.6
167.07025	1.0
168.04744	0.8
170.06366	2.6
172.04291	100.0
173.03078	0.9
180.04807	2.0
182.08153	4.0
188.94226	0.7
197.07437	3.5
198.05865	5.3
206.08261	1.0
214.05330	10.5
215.08527	5.0
227.09172	0.9
238.05351	0.8
240.06958	1.2
244.06424	9.5
245.11310	0.7
248.09312	1.2
257.09671	1.1
261.09061	16.1
261.11652	1.2
286.07413	2.3
289.05991	0.7
303.09964	2.6
305.10925	0.9
313.40726	0.7
316.08578	0.8
334.09558	3.4
342.09946	0.7
363.11362	1.8
377.13876	8.6
417.29144	0.7
423.14343	46.5
424.14615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
56.96526	0.6
57.03434	1.2
58.99590	6.6
59.05023	0.6
61.02922	0.7
65.03932	0.9
67.05214	0.6
67.05505	6.5
68.05040	1.0
69.03439	4.6
69.06723	1.1
69.07074	15.9
70.06598	11.0
71.04982	0.9
71.06920	1.6
71.54565	0.7
73.02926	0.7
76.02238	2.9
81.03413	2.3
81.07064	0.9
84.08136	1.4
85.02915	9.2
86.06071	3.2
87.06385	0.6
88.03981	0.9
93.07042	0.6
94.06568	0.7
95.04981	2.9
96.04443	0.8
97.02921	4.8
98.97565	1.1
99.02685	4.1
99.04469	1.2
101.04250	52.3
103.03956	1.0
108.08180	1.0
109.02874	2.4
110.06050	1.8
112.07600	2.6
122.02695	0.6
122.06048	0.7
123.04402	0.8
127.02158	7.6
127.03902	3.3
127.05748	1.5
129.03712	2.6
129.10193	0.8
131.95766	0.6
132.06548	1.2
136.07576	1.7
137.06018	0.6
138.05496	1.4
139.03918	3.5
140.07077	9.6
141.07341	0.6
142.06830	1.0
145.04927	1.2
152.07092	0.7
154.08600	0.7
155.01616	2.3
158.99715	0.7
163.03920	1.2
163.07495	0.7
167.06985	0.9
168.04779	0.9
169.04996	0.8
170.06371	2.8
172.04286	100.0
173.04744	0.8
180.04814	1.7
182.08116	3.8
183.08548	0.7
194.06325	0.8
197.07501	2.3
198.05881	5.4
200.09186	1.5
201.09578	1.4
206.08195	1.1
214.05339	11.1
215.08575	5.2
218.08186	0.7
219.01831	0.9
234.57654	1.2
238.05305	0.7
240.07005	0.9
241.11841	0.5
244.06416	8.1
245.11282	2.0
261.09088	16.2
286.07477	1.3
303.10037	1.8
308.65991	0.7
334.09534	1.6
339.09924	0.8
342.10193	1.2
342.16522	1.2
360.11093	1.0
377.13800	9.2
423.14362	59.9
424.14844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00323	1.7
53.03938	2.3
55.01885	3.3
55.05509	13.8
57.03429	3.3
61.02940	3.1
62.06099	1.8
65.03970	2.4
67.05509	8.2
69.03429	9.0
69.07073	4.2
70.06603	6.3
70.87077	2.7
70.87421	4.5
71.05003	9.7
73.04464	2.2
77.03963	2.1
79.05511	3.1
81.03448	4.9
81.07076	3.8
83.04994	16.7
84.08151	3.3
85.02916	25.6
85.06573	2.5
87.04497	2.5
91.05487	6.9
93.07050	5.9
95.04980	100.0
95.08582	9.6
97.02914	8.2
97.06554	5.0
99.04447	17.9
102.09171	3.2
105.07053	9.0
107.08595	11.5
109.02889	6.1
109.06533	7.0
109.10171	18.1
111.08073	5.0
119.04978	2.7
119.08615	9.8
120.10236	14.3
121.10137	12.2
123.04464	6.4
123.08089	22.1
123.11707	5.0
124.04768	3.4
125.09627	5.4
127.03913	7.1
127.07626	2.6
131.08586	4.5
133.10165	2.7
135.08095	2.3
137.09637	3.0
138.09120	3.1
139.03958	3.3
145.05002	2.5
145.10161	13.7
147.04448	2.8
147.11804	11.1
149.09641	11.7
151.03888	4.2
151.07564	3.7
153.09143	23.6
156.09392	3.1
159.11728	2.7
161.13284	7.5
163.11223	15.0
165.01837	6.4
165.12761	4.5
166.02205	2.4
167.10616	2.3
169.12248	17.8
171.10344	2.2
171.11755	7.1
177.05521	2.8
178.78578	1.9
179.14378	2.9
183.06541	6.7
184.03168	2.3
189.12784	17.6
207.10315	2.6
207.13805	13.7
208.14238	1.9
225.14877	95.8
232.09673	2.5
232.70480	2.4
234.98997	2.4
238.63437	2.0
243.15958	23.5
245.06900	4.1
260.09204	13.6
279.45096	2.1
303.08557	2.0
339.33621	1.8
340.50513	2.1
368.52628	2.0
385.75684	2.2
404.15836	2.7
422.17529	3.5
438.48776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.7
58.61646	3.7
58.99589	5.8
61.02933	5.0
69.03417	10.9
69.07054	13.9
71.54965	5.1
73.02929	7.0
73.14413	4.3
73.61308	3.7
76.31456	3.5
81.03420	6.7
82.06546	4.3
85.02917	29.9
94.87637	3.9
97.02894	13.5
101.04259	41.3
127.03905	10.7
130.38383	3.6
140.07074	8.1
143.01907	8.8
145.03429	7.4
145.04977	5.7
155.01796	9.1
158.08098	4.2
161.02965	8.1
168.04466	4.1
172.04289	80.2
173.03017	5.7
185.02963	8.7
198.05804	7.2
213.06055	14.1
214.05428	6.0
215.08382	6.0
220.83032	4.0
221.75084	4.2
222.06699	21.1
226.39859	3.7
261.09042	10.5
263.05954	4.8
291.09180	5.3
303.10010	8.8
323.08148	8.3
334.09262	5.7
377.13712	6.3
423.09000	100.0
423.13315	95.3
424.13251	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57477	1.3
53.03944	3.1
55.05516	20.2
56.12238	1.5
57.03426	3.1
57.07054	2.2
61.02919	3.6
67.05489	4.7
69.03434	14.6
69.07059	3.6
69.88307	7.0
70.06596	6.3
71.04987	3.3
72.08129	1.3
73.02917	3.3
75.79882	1.2
79.05486	4.1
81.03425	6.6
81.07075	7.2
82.06581	29.9
83.04986	27.4
83.08621	1.5
85.02910	29.6
87.04466	5.4
88.04009	1.4
91.05482	3.1
93.07040	5.2
94.40597	1.4
95.04995	6.9
95.08595	4.0
96.08129	2.3
97.02895	11.9
97.06520	2.5
97.10129	1.4
98.21449	1.4
99.04446	7.5
100.07607	9.4
103.03928	1.4
104.07092	1.6
105.07046	6.7
107.04966	3.3
107.08601	11.4
109.02880	5.6
109.06538	7.6
109.10165	12.5
111.08079	5.0
113.05991	1.8
114.09196	8.4
116.07098	2.9
119.08591	8.1
121.10170	9.0
123.04411	4.7
123.08075	12.7
123.11685	2.2
124.04725	1.7
125.06017	1.8
125.09634	5.9
127.03935	6.9
127.07600	2.3
128.07083	34.2
128.64757	1.3
131.08513	2.7
132.95810	1.2
133.10136	4.2
134.06119	1.4
135.08058	4.3
137.06004	1.5
137.09625	4.8
137.13271	4.4
139.03885	4.7
139.11180	2.0
144.95868	2.2
145.04956	2.4
145.10133	2.5
146.08116	6.2
147.11691	9.7
149.09641	13.9
151.07524	4.5
152.08307	1.8
153.09140	2.7
156.09317	2.0
160.09703	3.5
161.13245	4.5
163.11156	2.4
165.12825	7.3
167.10654	2.3
171.11682	4.0
179.14311	1.3
189.12784	8.6
197.08209	2.0
200.09146	1.7
207.13795	11.5
210.06056	1.4
225.14873	100.0
226.15013	1.9
234.99025	2.5
243.08702	3.7
251.24632	1.4
260.14944	43.0
261.13077	6.0
304.13696	2.3
334.10922	2.9
387.20145	4.0
398.04352	1.2
404.22699	2.9
409.27969	1.3
422.08780	1.8
422.19824	4.6
422.24304	2.8
423.18350	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52932	6.2
55.05529	8.0
60.72987	6.1
64.53116	6.4
67.05499	9.3
69.03416	13.8
69.07044	9.4
70.06579	7.7
71.04990	13.3
71.57951	7.6
79.05489	14.4
81.07053	30.2
83.04977	12.7
83.05483	5.9
84.08134	8.0
85.02904	25.0
85.06522	7.5
91.05463	11.0
93.07028	14.3
95.05001	8.3
95.08607	10.6
97.06553	8.0
98.01141	6.3
99.04451	24.1
99.08127	9.4
105.07043	16.0
107.08591	22.3
109.06519	8.5
109.10156	17.2
119.08546	15.7
121.10126	44.5
123.08080	66.8
127.03902	11.1
133.10022	9.8
137.09644	13.2
138.09155	11.3
138.73582	6.3
145.06456	8.7
145.10123	8.1
147.11652	12.4
149.09628	8.9
151.11145	12.9
161.13289	12.9
163.11201	19.7
178.08580	11.5
181.12248	100.0
189.12740	13.4
192.10168	15.3
207.13803	36.3
220.82204	7.0
225.14896	78.2
243.15927	38.0
245.06886	8.1
284.09122	8.3
339.71008	8.8
377.06592	6.9
422.20795	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	422.1964
Annotation	Lyfoline
Peak:m/z	Relative Intensity
50.31340	0.4
52.04065	0.4
53.03931	0.7
55.01868	1.0
66.63567	0.5
67.05499	0.6
70.01531	2.0
72.96574	0.4
75.56889	0.5
79.05499	1.0
81.07056	0.5
82.52700	0.4
86.39110	0.5
91.05488	9.4
95.04949	3.4
103.05458	0.9
105.07026	1.1
107.04959	18.7
115.05460	13.0
117.07016	1.9
118.04156	1.4
119.04923	3.8
119.08554	0.5
120.05730	0.8
121.06530	0.6
123.04454	2.5
128.06242	0.7
129.07013	1.0
131.04941	2.1
133.06488	0.7
135.04451	1.9
137.04988	1.0
137.05980	10.3
139.67029	0.5
141.07002	1.4
143.04932	30.5
144.05661	1.1
145.06520	4.3
146.92126	0.5
147.04474	0.9
147.08009	0.8
148.17734	0.5
151.07530	3.8
153.06999	1.0
154.07838	2.4
155.08618	0.5
160.05214	7.2
160.07477	0.5
161.05984	4.3
163.06314	1.6
165.06981	1.4
166.07855	0.8
167.07184	1.0
167.08505	0.9
169.06517	0.9
169.10150	2.6
170.07288	0.9
171.08028	0.8
175.07561	31.1
178.08698	14.6
179.08582	3.6
181.06503	1.2
181.10077	1.0
181.48790	0.7
182.07300	1.4
184.08925	0.8
187.10997	0.5
189.07008	0.8
191.08559	9.5
192.09276	6.5
193.09999	0.8
194.07346	0.9
197.06046	1.3
197.09691	3.7
198.06831	1.2
199.07552	1.2
203.08583	0.9
205.06551	1.2
206.07219	0.6
207.08101	2.8
208.08887	1.2
209.09627	3.0
210.06873	1.5
211.07584	2.4
212.08356	0.6
213.09193	1.5
215.10698	1.9
219.08044	7.6
220.08862	4.5
221.09595	1.5
223.07610	1.4
224.08366	1.6
225.09109	9.7
225.14948	1.0
234.06874	0.6
235.07600	1.5
235.11240	0.8
236.08362	1.4
237.09119	15.7
238.09840	1.3
239.10759	2.2
241.08574	1.4
243.10187	62.8
244.10475	1.5
250.09906	0.7
251.10655	1.3
252.11470	22.8
253.08646	1.0
253.12065	1.0
257.11829	1.6
260.09341	1.1
261.09186	0.6
263.10703	2.3
265.12320	0.6
267.10291	1.7
268.10770	0.6
281.11758	1.0
327.13788	0.9
345.15042	2.6
355.13300	7.5
372.13242	0.8
373.14328	2.7
374.14999	1.1
387.15884	9.9
390.14670	1.4
404.18777	3.6
405.11853	1.1
405.16995	19.7
405.22369	1.0
406.17316	1.0
408.94250	0.5
422.19653	100.0
423.19852	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3678
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
55.05516	38.6
56.35157	3.6
57.06863	3.1
57.07085	32.6
58.22567	2.9
59.93613	3.9
67.05515	18.9
67.82890	3.3
68.48902	3.3
69.07077	51.6
69.54408	23.2
71.08636	25.3
77.74668	3.5
79.05486	11.3
81.07062	36.9
83.04990	55.0
83.08618	24.4
85.10194	14.7
89.06032	9.6
91.05494	12.8
93.07052	18.9
95.04989	4.8
95.08627	40.0
97.06549	4.5
97.10190	17.9
98.73308	3.3
105.07044	11.6
105.16928	4.3
105.97971	3.2
107.08609	21.9
109.06523	11.8
109.10153	18.4
111.08106	5.4
111.11710	8.5
119.08577	18.7
121.10163	11.4
123.08089	13.2
123.11716	10.9
125.06007	4.6
131.08531	7.5
133.08595	6.7
133.10150	12.0
135.08076	11.5
135.11736	6.0
137.06013	28.0
137.09651	6.4
139.07608	17.0
139.08539	3.4
143.08633	5.0
144.89397	4.1
145.10083	6.2
147.11700	13.0
149.13271	6.1
151.07613	10.6
151.11212	6.6
155.07101	7.7
159.11685	6.2
160.64903	3.7
161.09644	27.3
161.13266	13.8
165.09201	5.8
165.12714	7.6
175.11197	15.3
175.14830	5.4
177.12804	5.5
179.10686	5.6
179.14337	4.5
187.14935	3.7
189.12767	18.9
191.14334	4.0
193.12260	4.7
203.14429	6.6
207.13939	7.5
231.08630	3.1
288.28802	4.0
347.32965	3.5
375.36279	45.2
385.34683	24.5
403.35834	100.0
421.36801	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.08886	0.6
53.03939	1.8
55.01866	2.8
55.05515	9.6
57.03411	0.7
57.07079	7.2
65.03957	0.7
67.05175	0.9
67.05508	15.0
69.02898	0.6
69.03428	0.7
69.07074	15.8
70.69760	1.2
70.70125	1.4
71.08640	3.8
75.14224	0.6
79.05482	2.3
81.07063	6.1
83.04996	1.1
83.08621	9.8
85.06491	0.7
85.10197	1.0
91.05478	7.7
93.07047	46.2
95.04965	2.9
95.08608	28.3
97.06535	1.7
97.10179	4.5
104.47276	0.6
105.04540	0.7
105.07024	2.0
107.08593	7.6
109.06513	1.3
109.10118	3.2
109.58530	0.6
111.08089	20.9
111.11713	2.1
113.00069	1.2
117.07079	0.8
119.08591	2.0
121.06506	2.6
121.10175	3.1
123.08051	1.4
123.11738	1.2
125.09632	2.5
127.07553	3.7
131.08585	1.5
131.15379	0.6
133.10150	1.1
133.64551	0.6
135.08067	1.0
135.11705	1.4
137.09644	1.4
137.13278	0.8
139.07542	24.8
139.08623	1.2
143.08614	0.8
145.10135	0.9
147.11729	1.2
149.09650	1.1
149.13298	0.9
151.11183	1.7
151.28082	0.6
153.09113	14.5
157.08638	3.2
157.09911	0.6
159.11670	1.0
161.13333	0.9
165.12791	0.7
167.10696	9.4
169.02554	0.7
173.13306	0.7
179.10674	1.0
181.12253	6.0
182.12395	0.6
187.95152	0.6
193.12267	1.3
195.13823	5.2
199.14986	0.7
207.13828	1.9
209.15416	3.1
221.15430	1.1
223.16818	1.5
237.18556	1.3
251.20079	1.5
265.21664	2.8
277.21796	0.7
279.23206	1.8
291.23273	1.2
319.26498	0.7
335.29642	1.0
350.30682	0.6
403.35812	24.7
404.36057	1.3
404.72708	0.8
421.36789	100.0
422.36880	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	421.3679
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.01867	11.3
55.05520	22.2
57.07086	24.0
67.05499	17.4
69.07079	36.6
71.08622	19.7
71.56889	4.0
79.05480	12.5
79.37541	3.7
81.07061	64.0
83.04977	26.3
83.08612	21.7
85.10190	8.4
89.06040	11.6
91.05472	10.6
93.07049	16.3
95.08620	29.0
97.10172	15.2
105.07011	11.8
107.08605	16.4
109.06541	21.3
109.10175	20.6
110.41145	4.3
111.11718	7.9
114.89242	3.7
115.94624	4.0
119.08591	17.7
121.06544	4.5
121.10167	11.2
123.08057	4.0
123.11700	8.9
125.06031	20.9
125.06806	5.0
125.70634	3.5
130.15968	7.9
131.08556	5.7
133.08611	7.5
133.10211	9.0
135.08055	7.4
135.11780	4.6
137.05994	100.0
139.07533	4.4
145.10158	9.6
147.11714	7.6
149.13179	4.6
151.07544	6.0
155.06978	7.1
159.11684	6.5
161.09653	12.2
161.13231	10.7
165.12694	4.5
175.11217	8.4
182.55296	4.8
189.12767	10.8
193.12273	5.6
207.13901	4.7
277.21719	4.8
316.24228	3.8
329.62656	3.9
363.12756	4.4
375.36368	14.7
385.34708	10.9
403.35666	27.4
421.36990	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	44.5
67.05482	40.3
69.07070	42.4
71.58340	31.1
79.05486	56.3
81.07079	100.0
83.04936	21.2
83.08624	41.1
89.19736	20.3
91.05482	52.7
93.07056	77.7
95.08625	48.7
98.98478	35.1
105.07027	91.9
107.08607	36.7
109.10172	41.1
111.40400	19.8
119.08583	70.6
121.10175	22.6
121.19199	23.2
129.06972	20.5
131.08588	38.5
133.10120	24.2
143.08556	49.1
145.10089	42.4
147.11696	43.0
155.01091	35.9
157.10136	60.9
159.11693	56.7
160.12013	25.5
171.11656	30.1
195.11815	24.2
199.14867	48.0
220.80339	20.5
279.71103	22.3
420.23007	29.5
420.29742	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	421.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.4
55.01876	3.5
68.39219	1.1
68.99795	2.3
69.03417	1.5
70.06581	1.4
71.55222	1.9
81.03411	1.3
85.02911	1.6
86.06077	2.0
91.05519	1.8
95.04975	2.4
96.94200	1.1
97.02885	1.3
107.04990	2.4
119.04948	6.2
121.06522	1.7
123.04436	22.2
127.03955	1.3
133.10060	1.2
135.04446	2.3
137.02347	3.3
137.05995	1.6
139.03940	6.4
141.01837	4.8
147.04413	12.7
151.04041	2.0
161.06033	1.7
161.09756	1.2
163.03897	3.9
165.01846	100.0
165.05481	7.9
167.07063	1.5
169.04929	1.4
176.06975	1.2
177.05527	3.1
178.05794	1.3
179.03374	1.8
179.07076	1.7
181.08656	1.3
183.02905	59.3
185.05869	1.3
189.77191	1.2
191.03395	31.4
195.09122	1.1
201.05354	1.3
203.03462	2.9
205.04980	1.9
207.02763	1.6
221.04465	2.1
233.04454	40.5
233.06686	2.3
241.05042	1.6
245.04381	1.8
250.10632	1.5
251.05524	20.1
251.11040	2.1
257.04596	1.6
258.05234	1.4
260.09351	1.4
311.05289	1.8
317.06448	3.9
343.08218	10.2
403.10098	4.7
403.15695	3.5
421.08844	5.1
421.16531	3.5
446.21268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70326	0.7
57.03437	17.6
61.02929	6.6
65.03946	1.6
69.03078	1.2
69.03431	17.5
70.36148	2.6
71.01346	1.7
73.02922	42.2
81.03387	2.0
83.68627	0.7
85.02911	28.5
87.04465	1.9
91.05485	100.0
92.05824	1.3
94.95753	0.7
97.02898	45.8
99.04453	1.0
105.07016	1.2
109.02868	2.5
115.03938	27.0
117.07052	1.4
125.02364	0.7
127.03928	8.6
129.06978	1.5
132.06664	1.0
133.04971	6.8
133.06491	2.0
143.08614	1.6
145.04974	12.8
145.06488	1.5
150.07619	2.8
161.04456	2.8
162.07585	0.8
163.06042	4.1
171.08029	1.0
193.04961	0.9
201.70354	0.8
205.08461	0.9
211.05960	1.1
217.08640	4.6
223.05922	1.7
235.09622	1.3
241.07101	3.0
253.10698	3.0
259.08154	1.5
295.10211	1.1
367.30316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
56.05034	0.7
58.06583	0.7
61.80219	0.6
67.05518	5.0
68.05038	3.3
69.07066	1.9
69.56905	1.4
69.57314	3.4
70.06596	32.2
79.05497	5.2
80.05004	1.0
81.05804	2.6
81.07063	3.9
82.06580	1.0
83.04991	1.9
84.08147	1.4
88.03992	7.8
91.05477	2.3
93.07047	4.2
94.06552	4.1
95.08604	2.3
96.08134	69.8
97.08925	1.3
107.08602	1.9
107.47784	0.6
109.10145	1.0
112.11273	3.1
113.10781	0.6
114.09174	31.7
117.07107	0.7
119.08573	1.4
121.10106	1.3
131.08606	1.0
133.10147	0.8
142.08640	100.0
143.08904	1.2
145.10152	0.6
158.08151	0.7
159.11740	1.6
160.09705	12.2
161.13234	0.7
251.97804	0.7
337.85474	0.8
374.30408	3.0
397.70380	0.7
420.31003	59.4
421.23593	1.8
421.31241	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	420.1656
Annotation	glandicoline B
Peak:m/z	Relative Intensity
53.79858	1.0
55.01862	3.0
58.06590	2.3
65.38679	1.0
65.40752	0.9
67.05490	1.3
68.05039	1.9
68.99771	2.1
69.73705	3.4
69.74109	1.9
70.06601	38.5
74.06065	1.0
76.55076	1.0
79.05495	3.8
80.05018	0.9
81.07069	2.5
82.06570	5.7
83.04967	2.1
84.08144	3.1
86.06087	6.4
91.05470	2.5
93.07045	3.9
94.06583	6.5
95.04997	1.4
95.62970	1.1
96.08150	5.5
100.07629	4.0
105.07047	2.1
107.04955	3.9
109.02965	1.3
110.06057	1.1
112.07642	5.2
114.09177	40.8
117.06995	1.1
121.06495	2.2
122.03900	1.1
123.04438	9.9
129.07031	2.0
133.06514	2.4
135.04430	3.0
136.07552	1.3
137.05986	3.0
139.03914	29.5
141.05515	1.2
145.06523	1.4
147.04449	2.7
147.07979	2.1
149.05981	4.8
150.64471	1.3
151.03928	14.9
151.07524	1.7
153.05476	20.1
157.06505	1.5
158.03398	1.1
161.06004	5.0
163.03911	14.3
163.07582	2.7
165.05496	4.0
167.07027	4.6
175.03940	1.6
175.07565	5.4
177.05486	23.7
177.09229	2.0
179.07025	11.2
181.08690	2.5
185.06047	1.7
187.07516	2.0
189.05511	1.4
191.07042	4.7
192.10278	1.2
193.08607	4.5
196.55826	1.1
202.08685	1.5
203.07030	10.6
205.08636	5.2
206.08153	3.0
206.11798	1.1
215.07043	2.0
216.10243	3.6
217.08557	2.3
219.06541	4.2
221.08153	3.3
222.11198	1.9
234.11278	16.4
246.11263	1.5
250.10789	9.6
252.12338	83.4
253.12706	1.4
258.11157	1.2
264.12262	3.7
301.07065	8.1
353.10211	1.2
366.13290	1.9
384.14600	3.3
402.15436	18.3
402.20184	1.7
420.16544	100.0
421.16895	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01866	4.2
68.99788	2.6
69.03426	9.7
70.06595	21.4
70.57215	2.3
70.82446	4.6
74.06078	3.7
78.32050	1.9
81.03399	2.2
82.06580	5.9
84.08133	2.7
85.02910	4.1
86.06072	22.1
91.05493	3.4
94.06572	5.2
95.04965	5.4
100.07632	4.3
107.04926	4.3
112.07614	8.6
114.09177	4.3
119.04952	7.0
121.06506	4.2
123.04435	62.4
124.07587	3.1
125.05956	2.0
135.04439	2.6
135.08025	2.6
139.03900	8.9
141.05482	4.7
145.06490	3.0
147.03355	3.1
147.04404	24.1
149.02364	2.3
149.06006	5.8
151.03922	12.5
153.05458	7.4
161.06007	4.2
163.03894	7.5
163.07500	2.7
165.05482	100.0
167.07043	2.7
173.06017	4.7
175.03935	2.8
177.05473	56.0
179.07039	2.8
181.04994	1.9
189.05499	5.1
191.07018	6.0
195.06577	4.2
201.05452	5.4
203.07057	2.7
207.06497	6.3
219.06538	29.6
221.08142	2.8
231.06552	4.7
232.09714	9.1
234.11198	2.8
250.10750	61.6
268.11725	2.5
303.08603	2.9
311.09045	2.8
317.10226	60.3
329.10278	4.2
353.10089	4.0
371.11188	5.6
384.14407	11.9
402.15512	61.9
403.16180	2.3
420.16498	39.0
421.16583	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	420.1655
Annotation	glandicoline B
Peak:m/z	Relative Intensity
55.01863	1.2
58.06583	1.4
68.05008	0.9
68.99796	0.9
69.03427	1.1
70.06599	26.7
70.70547	2.1
79.05505	1.5
81.07069	1.9
82.06583	2.6
83.04993	1.5
84.08144	2.2
86.06062	2.1
90.73192	0.8
93.07047	1.9
94.06572	3.5
95.04944	0.9
96.08143	3.4
100.07609	2.0
104.82293	0.7
107.04977	2.6
109.02870	0.9
112.07596	2.2
114.09175	29.5
119.08595	1.3
123.04418	1.9
129.07048	0.8
133.06482	1.2
135.04401	2.1
135.08113	0.8
136.07648	1.1
137.05969	1.4
138.05507	1.2
139.03918	21.6
139.17215	0.7
147.08154	1.0
149.06024	2.4
151.03905	12.7
151.07524	0.9
153.05464	13.2
157.06546	1.2
161.05994	2.6
163.03926	8.1
163.07640	1.1
165.05513	1.8
167.07079	1.8
173.05968	1.0
175.03722	0.9
175.07558	3.6
177.05487	7.8
177.09126	1.4
177.21104	0.8
179.07028	9.4
185.05974	1.1
187.07639	1.9
189.05559	1.9
191.06985	1.5
193.08643	3.2
203.07051	8.0
205.08659	4.2
205.76634	0.8
206.08177	3.1
216.10277	2.3
221.08101	3.2
234.11290	11.6
243.08868	0.9
246.11357	1.6
252.12331	57.6
253.12903	1.5
264.12381	2.1
300.06125	0.8
301.07022	4.7
325.10721	0.9
384.14420	2.2
402.15503	7.5
420.16550	100.0
421.17142	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	420.1655
Annotation	glandicoline B
Peak:m/z	Relative Intensity
53.03929	1.0
53.92248	0.9
55.01882	2.3
58.06608	1.8
67.05478	1.1
68.05022	1.6
68.99773	1.4
69.03421	2.7
70.06600	29.5
71.05000	1.3
71.07343	2.5
73.38158	1.1
75.11353	1.1
79.05494	2.3
81.03441	1.3
81.07081	1.5
82.06563	5.2
83.04977	2.1
84.08128	2.8
85.02901	2.2
86.06087	2.8
86.09729	1.1
91.05508	2.2
92.07396	0.9
93.07051	3.1
94.06599	5.4
96.08161	5.4
97.02908	2.0
100.07617	2.4
101.56350	1.1
103.05417	1.2
105.07059	2.3
107.04985	5.0
109.02890	1.7
110.06075	1.1
112.07610	2.6
114.09184	30.0
114.09980	1.9
121.02868	1.3
123.04429	2.8
123.08085	1.0
135.04443	2.9
135.08101	1.1
136.07570	1.6
137.05995	2.4
138.05518	1.2
139.03909	20.5
139.04892	1.5
140.07072	1.4
142.42749	1.1
147.08113	1.9
149.05994	3.5
151.03905	12.5
153.05481	15.0
157.06493	1.4
161.05977	3.0
163.03928	9.7
165.05505	3.1
167.07076	4.1
175.07576	3.9
177.05511	9.4
177.09154	1.3
178.08675	2.4
179.07025	9.5
185.06006	1.6
191.07051	2.2
193.04875	1.2
193.08629	4.5
203.07045	6.9
205.04915	2.0
205.08661	4.9
206.08197	2.8
216.10248	2.9
219.06619	1.3
221.08095	2.6
234.11285	15.4
250.10735	2.2
252.12323	56.3
258.07571	1.2
258.13541	1.3
262.66049	1.0
264.12598	1.5
286.78262	1.1
301.07166	5.1
366.13452	1.2
384.14688	1.8
402.15579	8.8
420.16531	100.0
421.16806	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	420.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
58.06590	2.3
67.05491	0.9
67.85572	0.9
68.05009	1.1
69.03413	1.0
70.06597	51.5
71.04984	1.1
71.11784	1.5
79.05490	1.9
81.03419	1.7
81.07068	1.5
82.06577	1.9
83.04966	1.4
84.08132	3.4
85.02900	1.3
86.06042	2.3
86.09669	1.3
91.05472	1.4
93.07019	1.8
94.06549	3.2
95.05010	1.8
96.08126	6.1
97.02892	2.0
100.07612	1.5
101.58173	0.8
105.07031	1.0
107.04977	4.5
109.02873	1.8
112.03960	1.6
112.07609	2.9
114.09172	70.7
115.05441	0.9
119.08517	1.0
121.02837	1.0
121.06541	1.6
123.04421	6.0
123.46215	0.8
125.02294	1.0
125.06022	1.2
125.25056	0.8
127.03957	1.7
133.06520	2.3
134.09547	0.9
135.04398	2.7
135.08124	0.8
136.07506	1.0
137.06015	1.8
138.05511	0.9
138.09135	1.1
139.03915	42.9
140.03447	2.7
147.04433	1.7
147.08057	1.6
149.05989	2.2
151.03920	13.4
151.07571	1.1
153.05446	7.5
161.05991	2.3
163.03905	14.4
163.07593	1.1
164.06978	0.9
165.01852	1.0
165.05481	3.0
167.07074	2.2
173.06003	1.0
175.03972	1.0
175.07565	3.2
177.05496	10.4
179.03426	2.2
179.07047	7.2
181.05011	2.0
181.08582	1.0
187.07574	2.2
189.05458	2.1
191.06934	1.3
193.04958	1.3
193.08600	3.3
195.06514	1.1
203.06981	4.6
205.04958	2.1
205.08624	2.5
206.08157	2.4
215.07053	1.3
216.10344	1.9
217.10963	1.5
218.11891	1.0
218.63770	0.9
219.06494	1.9
221.08095	2.2
234.11261	12.7
240.12419	1.2
246.11301	2.6
250.10783	2.9
252.12331	15.4
264.12314	2.8
301.07147	8.0
319.08115	1.8
325.10477	1.1
353.10355	1.8
366.13327	1.9
384.14517	3.1
402.15463	15.7
420.16531	100.0
421.16913	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	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75915	1.7
53.03937	3.8
55.01623	3.4
55.01874	45.7
65.03944	11.7
67.05502	4.7
69.03438	2.8
70.81197	4.0
78.04703	2.2
79.05483	10.3
81.03507	2.0
81.07064	2.6
82.04185	2.9
85.02895	5.8
91.05494	14.3
93.03381	3.4
93.07035	4.1
95.04977	9.4
97.06543	3.2
103.05476	21.9
105.03394	2.6
105.07032	19.6
106.04157	2.0
107.04961	20.8
107.08614	2.6
109.10170	2.2
110.03665	6.3
111.04475	2.5
115.05458	9.8
117.06990	3.8
118.04146	5.9
119.08566	2.3
121.06525	7.2
122.29752	2.1
123.04442	17.0
124.05260	2.5
125.05991	4.4
128.06229	4.6
129.07002	5.8
131.04944	19.7
131.08556	8.8
133.06502	13.0
137.05954	3.4
138.03156	2.4
140.04631	3.8
141.06985	5.5
142.02681	2.4
144.05733	10.3
145.06505	6.0
147.04372	5.0
147.08029	2.8
148.05193	12.2
149.05972	14.6
151.03894	2.8
152.04713	2.9
153.05472	8.8
155.07033	4.0
157.06532	3.6
159.08057	16.6
161.06004	20.6
161.09656	3.7
163.07530	15.9
167.07057	87.4
168.07382	4.1
169.07655	2.6
170.07254	3.4
171.06531	6.2
171.07985	2.5
172.05164	2.4
173.05952	5.6
175.07515	3.3
177.05472	51.3
181.04976	100.0
181.08435	3.1
183.06548	16.5
187.07545	13.4
189.09128	3.0
191.07034	76.3
192.07596	2.3
193.08592	8.1
202.38826	2.2
203.06952	2.9
204.07829	4.7
205.08591	11.0
209.08093	69.1
217.08614	4.6
218.07300	2.5
218.09299	2.4
219.08206	3.6
219.10164	12.9
221.08066	5.8
231.07811	2.7
235.07545	3.5
235.09691	5.0
247.07388	4.3
247.09668	8.5
248.08224	2.9
249.09154	3.0
249.11247	51.2
262.06259	3.2
263.07025	4.6
263.10782	2.5
264.07715	4.4
265.10815	4.9
277.08511	3.4
279.10342	3.5
287.05453	3.3
291.10162	3.1
291.56995	2.0
293.08212	2.7
295.09604	3.7
307.09753	4.9
309.11154	2.6
323.12607	2.6
329.88913	1.9
330.11087	2.7
339.12112	3.7
341.13846	2.2
351.12027	3.6
369.13211	14.9
383.14853	2.5
389.15842	4.7
401.15906	23.4
419.16757	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	419.1704
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
51.00830	1.4
53.03951	1.2
55.01876	62.8
65.03937	10.9
67.05505	6.4
69.49083	10.3
69.49490	3.1
70.78901	1.6
71.46039	1.4
72.67892	1.9
79.05495	10.0
81.03455	2.1
81.07076	2.7
82.04206	3.9
85.02896	4.6
86.81611	1.3
91.05493	9.8
93.03410	3.7
93.07043	4.2
95.04961	9.8
95.08649	1.8
97.06547	3.2
98.21512	2.7
103.05469	16.2
105.07029	14.6
106.04200	2.5
107.04961	17.2
108.02122	2.8
110.03652	5.2
111.04449	2.0
115.05479	7.0
116.06239	2.1
117.07023	1.7
118.04210	3.2
119.04998	3.1
119.08620	1.4
121.06499	8.2
123.04451	10.1
124.05226	4.6
125.06019	4.1
129.07001	4.9
131.04939	9.8
131.08577	4.5
133.06511	13.8
134.03658	1.6
137.06000	2.0
138.03119	2.7
140.04701	1.8
141.06989	2.8
142.02618	4.1
144.05698	7.4
145.06483	4.8
148.05161	3.5
149.06001	19.4
152.04654	1.8
153.05457	3.7
155.07114	2.6
157.06467	2.2
158.07245	1.7
159.04449	3.0
159.07985	8.1
159.22812	1.5
161.05989	15.8
163.03938	2.2
163.07570	5.6
167.07053	79.1
168.07225	1.7
169.07672	1.9
170.07254	1.7
171.06548	8.1
172.05215	2.5
173.06062	3.8
175.07555	3.1
176.04610	1.6
177.04332	1.4
177.05482	61.7
181.04977	100.0
183.06601	8.1
187.07565	6.4
189.05530	1.8
191.07050	23.4
191.08594	3.0
193.08646	12.7
204.07811	2.2
205.08620	13.7
207.06477	2.0
209.08109	99.3
217.08548	2.8
219.08238	2.4
219.10194	8.9
221.08133	3.8
228.62155	1.5
231.07994	2.4
235.07501	2.5
235.09697	4.0
247.07494	2.7
247.09686	11.6
249.09032	3.5
249.11258	15.6
263.06949	1.6
265.08362	1.6
265.10818	8.8
277.08502	3.0
279.10284	2.1
287.05484	2.7
291.10321	2.5
295.09686	2.1
307.09579	3.8
323.09091	1.6
323.12939	2.2
351.12204	3.0
355.11755	2.2
369.13562	7.6
371.14914	3.4
389.15964	3.0
401.15903	16.5
419.16592	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	418.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47774	4.0
55.05512	4.8
57.07072	4.8
64.30383	4.6
67.05500	19.0
69.03438	4.6
69.07070	6.7
70.06580	4.2
71.55423	6.2
78.04716	6.8
79.05492	13.9
80.05829	4.5
81.07060	21.9
91.05468	15.5
93.07053	22.2
95.04964	6.7
95.08605	11.9
103.05462	7.2
105.07039	23.0
107.08585	16.8
108.08906	4.7
109.10162	7.8
111.87901	3.9
115.05503	9.1
117.07042	14.1
118.07343	5.1
119.08582	19.9
121.10156	6.3
123.04433	11.4
131.08594	11.0
133.10133	13.1
135.08025	5.4
135.11653	6.0
142.08644	6.4
143.08553	7.6
145.06488	9.7
145.10103	11.3
147.11638	4.7
152.04706	5.0
157.10158	13.4
159.11667	21.4
160.11969	4.1
161.13271	11.5
162.09926	4.1
167.07054	100.0
168.07381	56.8
169.10107	8.2
171.08040	4.3
173.06026	14.2
173.13223	7.8
174.06332	4.7
175.14803	4.8
181.05014	36.6
182.05305	17.4
183.11656	9.2
185.13387	5.4
192.07396	4.7
193.08626	4.7
200.15118	4.1
201.16422	5.0
205.12354	10.0
206.08871	4.8
233.08115	6.2
236.10129	5.3
337.25388	6.6
383.25827	18.4
388.14899	18.8
418.15802	39.3
418.29120	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	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03426	0.7
58.06008	0.2
61.02923	1.4
68.99793	0.7
69.03404	0.3
70.12310	1.0
70.12643	0.2
71.01347	0.2
73.02921	12.9
105.03415	0.4
107.04960	0.7
109.02871	0.3
111.00798	0.7
111.87685	0.2
115.03915	1.1
121.02879	3.0
133.02824	0.6
137.02345	0.8
145.06483	0.3
147.04427	0.6
153.01833	3.7
157.06467	0.3
165.01883	1.8
167.07048	0.3
175.07497	0.4
183.02893	1.1
183.06432	0.4
185.06013	0.4
197.05972	0.3
203.07065	0.3
213.05479	1.7
217.79099	0.3
231.06506	0.9
241.04971	0.8
245.04498	0.3
249.11302	0.7
258.05283	1.2
269.04272	0.3
279.33984	0.2
287.05505	100.0
288.05737	2.0
389.15820	0.3
401.15436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.1
57.01017	3.3
57.07061	7.8
58.06580	3.4
67.05507	21.5
69.07071	19.2
70.06595	17.9
71.05009	4.7
71.56242	4.5
72.08179	4.2
79.05479	21.3
81.07068	43.8
83.08643	4.4
84.08144	3.4
86.09720	4.6
88.07601	6.1
91.05488	38.7
93.07050	33.6
95.04976	23.9
95.08623	30.7
97.06538	4.2
105.07038	43.4
107.08622	26.8
109.06531	5.0
109.10146	8.8
117.07011	9.9
119.08587	48.0
121.10146	13.0
123.04391	3.6
123.11708	4.1
125.06009	25.7
129.07019	9.0
131.08577	18.3
132.10199	9.4
133.10130	18.2
135.11690	13.9
139.11134	3.6
142.07776	7.0
143.08540	10.2
145.10153	24.9
146.11780	7.1
147.08080	3.6
147.11690	17.7
149.13258	16.0
155.08501	6.6
157.10143	29.3
158.10440	4.6
159.11710	34.9
161.13260	29.6
163.14841	16.7
167.07101	7.4
167.08449	4.9
168.07425	6.4
168.08710	3.9
169.10106	12.8
171.11685	9.7
173.13278	11.8
175.11198	9.6
175.14812	5.0
177.12820	6.2
181.04977	4.7
183.11685	5.8
185.13266	9.7
187.14934	4.1
189.12721	8.3
193.12151	3.4
195.11699	6.6
197.13272	4.3
205.12247	6.9
207.13829	10.9
209.13358	4.0
223.14822	3.5
227.17818	4.2
253.19621	4.4
263.17984	4.9
309.25742	6.9
312.32513	7.9
319.24255	22.7
320.24301	3.6
337.25296	32.1
355.26343	22.7
356.35226	36.7
365.24768	13.6
365.42325	3.7
383.25830	17.9
401.27087	3.8
418.16333	4.9
418.27353	5.3
418.39038	100.0
441.94888	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	418.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50871	7.6
52.78914	7.5
55.05516	23.4
56.74781	7.8
57.07061	7.6
65.03931	9.5
67.05513	62.4
68.05833	10.1
69.07063	24.4
71.55698	9.3
71.56181	13.2
79.05499	49.6
81.07058	100.0
82.07384	15.3
83.08619	12.4
91.05476	35.9
93.07055	69.1
94.07422	10.3
95.04971	12.5
95.08620	82.5
96.08939	20.5
98.98478	62.6
105.07035	49.0
107.08563	44.6
108.08935	11.4
109.10179	43.7
117.07012	26.4
119.08598	35.5
121.10152	42.9
122.10419	10.8
123.11720	13.2
129.07002	14.1
131.08589	22.4
133.10124	17.6
134.10524	8.7
135.04308	10.7
135.11732	26.6
143.08603	15.1
145.10167	15.3
147.11703	17.8
150.13553	9.4
155.01070	85.2
155.08649	8.8
157.10153	20.0
158.10477	13.7
159.11696	45.0
161.13281	34.8
163.14828	28.3
167.07138	14.7
169.10124	18.1
183.11705	10.1
185.13237	14.5
187.11249	11.1
195.11810	10.8
199.14781	8.9
201.16385	9.8
203.10789	10.0
205.12236	22.7
229.15880	11.3
231.13789	10.2
247.16879	15.6
263.23593	17.9
264.24100	35.8
295.62607	8.7
321.25763	23.5
367.26163	30.1
418.38852	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	418.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.2
57.03445	7.8
57.34887	5.1
67.05516	43.1
67.39236	5.1
68.05827	9.2
69.07075	28.8
70.56660	6.2
70.56994	17.1
74.54729	5.4
79.05488	36.8
81.07061	100.0
81.26903	5.4
82.07390	9.5
83.08654	8.3
91.05491	39.9
93.07050	51.6
95.08621	74.8
97.06548	7.8
98.98459	43.0
105.07055	71.4
107.08611	45.2
109.10148	32.0
110.10526	9.1
117.07018	29.7
119.08586	48.3
119.23582	5.3
121.10159	35.3
123.11729	13.8
129.07034	8.7
131.08588	40.0
133.10161	23.6
135.11694	27.3
142.07817	8.2
143.08568	24.3
145.10138	21.2
147.11679	9.8
149.05876	7.1
155.01070	37.6
155.08559	13.6
157.10127	18.4
158.46465	6.4
159.11717	71.7
161.13300	50.2
163.14809	47.9
167.08507	8.3
169.10141	9.4
171.11717	10.9
173.13269	9.6
183.11711	10.3
185.13316	12.0
195.11743	10.1
196.92552	5.8
199.14816	8.0
203.10695	19.0
205.12228	30.0
209.13322	8.9
223.14998	6.6
231.13837	9.1
246.22946	11.1
264.24155	19.8
285.18427	9.1
297.18716	6.1
311.20374	5.8
321.25732	35.1
367.26309	54.3
418.38986	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	418.125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.3
69.07050	1.4
71.56274	1.8
75.89467	1.2
85.02901	1.9
94.58221	1.4
97.02847	1.5
107.04968	4.5
123.08035	1.8
124.07629	2.1
127.03912	3.5
130.38243	1.2
140.04951	2.9
142.06590	1.4
153.66035	1.2
154.06577	1.5
155.06064	22.2
156.06709	1.4
163.35448	1.3
167.06044	4.0
167.07129	4.2
168.06958	4.3
169.07616	38.3
170.06010	3.8
179.06044	15.8
181.04973	5.8
181.07640	3.9
182.06042	1.7
183.05554	18.2
183.09145	2.7
185.07111	13.9
192.06854	1.5
193.07611	16.9
194.06079	2.6
195.03854	1.2
195.05550	31.3
196.06343	17.7
197.07166	27.1
198.05498	7.7
201.06653	2.6
207.05577	8.6
208.06308	1.9
209.07086	3.9
211.05125	2.5
211.08665	8.7
213.06621	25.8
221.07114	25.0
223.05008	2.7
225.06619	55.4
228.12268	1.6
229.06111	22.8
236.08185	1.4
237.06563	6.3
238.05338	6.3
238.07440	4.4
239.04678	2.7
239.08154	30.1
241.06107	4.1
243.07736	8.6
249.06612	8.8
253.06178	9.5
255.07809	2.7
256.06277	5.9
257.05609	5.2
265.06091	1.9
267.07642	19.4
269.05554	3.8
271.07153	33.8
272.07419	1.4
277.06125	12.4
281.04443	2.2
283.07120	1.6
285.08710	37.2
295.07144	37.1
296.07703	2.1
312.09561	1.5
313.08191	47.9
314.08536	1.9
331.09326	14.2
331.58313	1.2
340.09235	7.1
344.87512	1.4
354.10925	5.2
358.06891	2.0
358.10333	55.6
363.00232	1.3
370.10812	1.4
372.12152	6.0
382.10315	7.9
394.44571	1.4
400.11426	65.0
401.16022	2.0
418.12427	100.0
419.12665	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	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	10.7
71.34676	6.9
79.05511	9.0
81.07053	10.4
91.05462	5.8
93.07056	8.4
95.04993	6.9
95.08620	11.9
97.06574	5.2
103.05486	5.7
105.07039	14.3
107.04922	8.4
107.08605	6.2
109.10166	8.8
115.05518	5.0
117.07003	6.8
119.08609	7.1
121.10105	4.3
123.04443	10.0
133.10152	9.5
137.09627	6.4
145.06483	10.1
145.10121	6.0
147.11723	5.8
149.84290	4.0
161.13275	38.7
167.07068	100.0
173.06003	12.2
181.04987	35.5
191.07144	12.1
201.16388	14.0
205.22594	4.0
219.17403	25.1
233.08141	8.9
237.18549	33.6
368.13943	4.5
387.14270	7.2
417.15414	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	417.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21969	0.9
53.03947	1.5
55.01869	2.3
55.05515	14.0
57.03444	11.3
57.07082	7.4
59.05023	1.1
65.03936	3.4
67.05505	20.8
69.03426	1.7
69.07071	22.1
71.04984	1.8
71.08624	3.7
71.56501	1.3
72.06046	1.0
73.06591	1.1
75.04475	2.1
78.04698	2.8
79.05495	12.4
81.07063	27.1
83.04989	2.6
83.08619	15.3
85.02909	1.9
85.06550	2.2
85.10184	3.4
87.08123	1.5
87.28836	0.9
87.73476	0.9
91.05466	7.4
93.07046	17.0
95.04967	2.0
95.08048	1.6
95.08609	20.6
97.06532	6.7
97.10178	8.3
99.08089	1.4
103.05477	3.8
105.07033	5.5
106.04195	1.2
107.04953	4.4
107.08603	10.8
109.10157	13.2
110.03712	1.6
111.08092	5.5
111.11732	2.3
113.06063	1.2
115.05450	4.4
115.07565	1.8
117.07047	7.0
118.04178	1.0
118.93099	1.2
119.08563	4.6
121.06561	1.0
121.10149	11.0
123.04454	7.1
123.11723	8.2
124.05196	2.6
125.06020	1.4
125.09615	3.8
125.13251	0.9
127.05450	1.6
128.06189	0.9
128.32353	0.9
129.07011	2.5
129.09145	1.5
131.04918	2.5
131.07037	1.7
131.08577	3.1
133.06526	1.2
133.10141	4.5
135.08173	1.0
135.11707	12.8
137.09587	2.2
139.11177	3.9
142.02632	1.4
145.06487	11.5
145.10146	2.2
147.04393	1.0
147.11729	1.3
148.05196	1.9
149.09555	1.1
149.13266	5.8
151.03951	2.4
152.04704	2.0
153.05521	1.3
153.12769	2.7
155.06061	2.6
155.08511	1.0
157.10106	1.4
157.12277	1.2
159.11707	3.8
163.07545	1.9
163.14838	2.7
167.07045	100.0
167.14301	1.2
168.07428	1.5
169.10223	1.2
171.06511	2.0
171.11652	1.2
173.05988	15.8
173.13271	1.0
181.04965	37.2
181.15881	1.1
191.07034	7.9
201.05272	1.2
205.08650	3.3
205.19540	8.3
207.06590	1.3
217.08565	1.2
223.20570	9.4
233.08080	8.0
235.09665	2.8
251.19992	3.4
269.21216	1.6
287.22177	33.7
309.56714	1.0
325.23691	11.3
335.82114	1.0
343.24857	11.2
356.96274	1.2
387.14346	13.5
399.27344	4.5
417.15451	23.1
417.28345	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	417.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01861	1.5
55.05516	11.8
57.03440	7.0
57.07077	7.7
65.03925	2.0
67.05507	56.6
69.07072	13.1
69.48281	8.4
71.04987	1.6
71.08616	3.5
79.05493	20.4
81.03410	2.8
81.07062	69.2
83.04985	1.3
83.08627	10.8
85.06540	2.0
85.10184	1.9
91.05480	13.6
93.07046	20.4
95.04959	4.3
95.08611	60.8
95.53536	1.4
97.06522	5.3
97.10173	7.4
98.98470	98.3
99.08040	3.2
105.07026	15.2
107.08611	13.7
109.09460	2.2
109.10164	29.0
111.08079	3.4
111.63078	1.4
113.09615	2.0
116.99502	1.8
119.08569	10.1
121.10149	13.0
123.08089	2.3
123.11696	12.9
127.11246	2.1
129.06961	1.5
131.08521	3.0
133.10126	11.9
135.11674	8.8
137.09637	3.0
137.13297	7.9
145.10138	3.4
147.11653	9.0
149.13281	10.0
151.14822	6.9
155.01047	100.0
157.10109	1.7
159.11688	3.8
160.12022	1.6
161.13257	6.8
163.14833	6.1
165.16400	3.3
167.07082	4.8
175.14816	5.3
177.16396	2.3
179.14272	1.8
181.04959	2.0
183.11626	1.5
185.13260	1.3
189.16417	3.3
215.05316	1.3
237.16533	1.5
245.22673	25.8
263.23715	49.3
264.24066	1.7
366.25162	1.7
371.27536	1.7
383.81924	1.5
417.15466	2.6
417.27820	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	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03937	0.8
55.01864	0.6
58.95154	0.4
65.03932	3.2
65.89273	0.4
67.05490	1.7
69.03418	0.6
69.07049	0.7
71.35773	0.6
71.36083	0.7
78.04703	3.4
79.05482	3.1
81.03416	0.6
81.07044	1.8
81.07473	0.4
82.04217	1.0
83.04974	0.4
85.02891	1.8
91.05479	1.9
93.03396	0.7
93.07063	0.6
95.04962	1.8
97.06529	0.7
103.05473	7.0
105.03374	0.7
105.07025	1.3
106.04175	2.2
107.04969	3.9
107.08585	1.2
108.02083	0.8
109.06528	0.7
109.10165	0.8
110.03672	2.0
111.04428	1.0
115.05470	3.5
117.07019	6.3
118.04150	1.5
119.04943	0.6
119.08547	0.9
121.06484	0.5
121.10194	0.5
122.55170	0.5
123.04431	7.4
124.05222	3.0
125.05995	1.2
127.05417	1.2
130.04155	0.7
130.68385	0.5
131.04927	4.5
131.08586	0.7
133.02808	0.5
133.06430	1.1
134.03676	0.8
135.04355	0.5
135.08118	0.7
135.10529	0.4
137.05977	1.0
138.03102	0.9
142.02602	0.6
144.05711	0.6
145.06482	9.0
147.08011	0.8
148.05170	3.8
149.05991	0.7
151.03909	1.3
152.04712	2.6
153.05403	0.7
155.06055	2.9
157.06529	0.6
159.07999	0.6
161.05977	1.4
163.07555	4.4
165.05519	0.4
167.07042	100.0
168.07394	1.8
171.06532	1.9
171.11742	0.6
173.05994	14.4
175.07559	1.1
176.04590	1.1
181.04959	41.7
187.07558	1.1
190.06116	0.5
191.07034	17.2
192.07382	0.5
193.08537	0.7
195.06546	1.5
201.05428	0.8
203.07069	0.6
205.08600	3.9
207.10179	0.5
209.08005	0.6
217.08531	0.5
219.10110	0.9
221.08005	0.5
233.08090	8.5
235.07671	0.7
235.09657	3.8
263.09277	0.5
279.10025	0.5
279.37079	0.4
298.12427	0.5
339.12405	0.8
357.13358	0.6
367.11789	0.5
381.13437	0.5
385.12686	1.2
387.14352	12.9
387.19189	0.8
417.15427	29.8
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	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03936	0.8
54.05008	0.3
55.01890	0.4
62.35259	0.4
65.03931	1.4
67.05492	1.1
69.03422	0.6
70.26831	1.1
74.09392	0.3
78.04713	3.2
79.05500	1.7
81.07058	0.7
82.04195	0.7
85.02912	0.8
91.05492	2.1
93.03397	0.6
93.07030	0.4
94.04209	0.3
95.04972	1.1
97.06535	0.8
103.05447	1.6
105.07047	0.6
106.04156	1.5
107.04947	1.9
107.08582	0.3
109.02877	0.4
110.03665	0.8
111.04452	0.9
115.05444	3.2
117.07018	5.1
119.08531	0.3
121.10115	0.5
123.04431	8.5
124.05225	2.8
125.05982	0.6
128.06233	0.4
131.04947	1.0
134.03685	0.5
137.06023	0.7
138.03122	0.7
139.03899	0.9
142.02649	0.5
143.04915	0.7
145.05409	0.6
145.06500	9.9
145.07646	0.6
151.03946	1.9
152.04651	1.7
153.05493	0.8
155.06007	3.0
155.07018	0.4
157.06395	0.4
167.07050	100.0
168.07367	1.3
171.06529	0.7
173.05995	14.8
177.05508	0.4
181.04974	19.7
190.06131	0.4
191.07018	0.8
201.05466	0.8
202.74779	0.4
205.08621	3.9
217.08644	0.8
233.08090	9.3
235.09650	3.7
236.12628	0.4
305.08121	0.4
367.11389	0.5
368.02942	0.4
387.14398	13.7
399.14236	0.5
417.15463	28.1
418.15741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40577	4.9
55.05496	9.4
56.67439	4.9
57.03432	5.7
65.03946	6.0
67.05499	47.7
69.07063	25.8
77.34120	4.5
79.05494	31.8
81.07062	89.0
81.92857	5.3
91.05478	56.5
93.07043	31.3
95.04974	6.8
95.08611	37.3
97.06532	5.2
98.20714	11.5
98.98463	31.2
105.07036	85.9
107.08586	23.9
109.10165	15.6
117.07018	43.6
119.08595	68.5
121.10133	14.7
123.11745	9.5
125.27164	5.4
129.07001	10.1
131.08574	34.5
133.10167	29.9
135.04384	10.5
135.08090	6.7
135.11682	9.8
141.07007	7.8
143.08568	17.2
145.10156	21.1
147.11726	9.3
155.01051	37.0
155.08566	13.1
157.10147	24.9
157.59059	5.2
159.11694	99.3
161.13278	100.0
163.07544	8.9
167.06950	6.8
169.10085	10.5
171.11676	11.2
177.32127	5.3
181.10083	6.3
183.11652	12.7
185.13338	6.9
187.11285	7.1
195.11617	7.3
197.13266	9.2
205.12180	30.1
223.14728	8.0
229.12395	6.4
249.16504	6.7
263.23685	16.8
280.24918	5.6
297.18387	6.9
319.24097	28.3
365.24857	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3525
Annotation	Petilidine
Peak:m/z	Relative Intensity
53.03948	5.1
55.05509	12.5
57.07064	5.0
57.69468	1.9
58.02956	4.9
58.06599	6.5
59.45831	2.0
60.04521	8.2
65.03951	4.5
67.05508	27.4
69.06718	3.6
69.07072	42.6
70.06582	14.6
70.49265	4.7
70.49657	4.3
71.05007	2.4
72.04532	2.7
72.08138	5.2
74.06086	2.4
79.05500	24.6
80.05020	3.7
81.07061	100.0
82.06588	2.5
83.04974	2.0
83.08620	8.2
84.08144	32.9
86.06075	7.3
88.45309	2.1
91.05470	21.7
93.07051	53.4
94.06570	3.7
95.04967	7.1
95.07333	2.1
95.08616	46.1
96.08136	11.8
98.09704	3.4
105.06393	3.0
105.07043	34.1
107.08595	38.5
108.08109	21.1
109.06535	4.6
109.08932	3.2
109.10171	25.5
110.09710	15.8
112.07576	3.7
117.07035	5.8
119.08575	35.2
120.08128	2.8
120.08905	3.7
121.10155	29.3
122.09652	7.2
123.11712	9.5
124.11232	2.9
126.09167	11.3
129.07022	3.5
131.08540	8.9
133.10144	14.4
135.11687	17.1
136.11218	13.9
137.13277	6.2
138.09142	5.9
138.12825	3.8
143.08533	3.8
145.10144	15.2
146.09604	2.3
147.11693	14.0
148.11267	4.4
149.13266	11.5
150.12741	3.9
152.14375	16.3
157.10138	4.7
159.11690	11.1
161.13260	10.1
162.12776	2.8
163.14835	3.7
164.14273	4.2
171.11652	3.5
173.13300	4.2
176.14397	3.1
185.13261	2.0
187.14803	4.5
194.15436	5.6
199.14799	3.3
201.16377	2.6
203.17982	3.2
204.17529	5.0
220.20627	7.3
262.21649	3.9
272.23813	5.7
288.26907	4.5
330.27963	2.5
340.30060	9.4
398.34195	57.6
399.34521	3.5
416.35260	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.0
67.05491	15.3
69.07068	18.6
69.50439	33.8
79.05483	15.7
81.07069	32.6
83.08614	7.6
88.07643	5.8
91.05479	77.3
92.05805	6.1
93.07069	25.0
94.07323	4.3
95.04970	8.1
95.08597	17.5
97.06558	6.4
98.21457	9.4
105.07037	69.1
107.08621	23.2
107.09243	4.4
109.06522	13.3
109.10136	12.3
109.41055	3.9
109.43541	4.3
117.07005	10.4
118.99783	3.6
119.08567	36.2
121.06501	23.0
121.10144	8.6
124.19805	4.1
125.05997	5.1
127.03853	4.1
131.08575	16.9
133.10106	16.6
135.08041	22.9
135.11708	18.0
138.29964	3.9
142.07776	6.0
143.08546	9.6
145.10127	14.9
147.08022	5.5
147.11714	11.5
149.13257	9.2
151.11107	4.7
155.08572	6.7
157.10103	14.9
159.11711	15.9
161.09587	9.2
161.13260	100.0
167.07022	8.5
169.09999	4.6
171.11736	7.1
173.09602	16.5
173.13193	7.5
175.11160	18.3
181.05013	8.0
181.10162	6.7
182.10710	4.3
183.11737	9.2
193.10233	4.6
193.12234	12.8
197.09624	4.3
199.11148	7.1
200.33890	4.4
201.16513	4.6
207.13742	4.7
211.10953	5.6
229.12250	6.8
335.23688	15.3
353.24649	19.1
363.23059	5.8
381.24268	59.3
416.26627	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	416.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34572	4.9
53.68465	5.5
53.68718	5.9
55.05502	13.6
67.05507	39.4
67.50697	5.3
69.07065	31.2
71.35937	7.1
79.05497	36.3
81.07064	100.0
83.71523	4.7
85.23359	5.2
91.05488	60.5
93.07050	45.0
95.04982	6.1
95.08612	56.8
97.06500	6.9
98.98466	36.6
103.05447	5.3
105.07045	94.0
107.08577	33.1
109.10144	28.9
117.07046	35.9
119.08583	60.1
120.08926	6.1
121.10149	20.4
123.11703	8.9
128.06224	7.6
129.07030	12.2
131.08582	40.8
133.10141	30.4
135.04384	5.7
135.08008	5.2
135.11667	16.5
137.13310	5.7
142.07782	9.8
143.08542	13.5
144.09369	10.3
145.10149	26.1
145.25941	5.5
147.11679	9.6
149.13264	7.3
155.01030	39.7
155.08505	10.8
157.10133	25.2
159.11707	96.7
161.13268	98.2
163.07574	8.6
163.14839	10.4
167.07050	9.6
167.08479	8.2
169.10124	12.0
171.11671	10.9
173.13196	9.9
175.14824	12.7
176.15179	5.5
181.10098	9.3
183.11726	7.6
185.13184	9.5
193.10240	6.5
195.11697	17.5
197.13327	8.5
197.49115	5.8
199.14856	7.3
203.10657	8.7
205.12224	36.7
209.13376	7.9
211.14914	6.6
229.12303	5.8
237.16356	5.5
245.22578	10.2
263.17865	6.2
263.23679	19.2
277.19519	5.5
307.50433	5.5
309.18356	5.5
319.24234	25.1
337.25272	6.1
365.24774	80.1
366.25119	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	416.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82846	0.9
53.03941	1.7
55.05503	1.2
57.03444	11.0
67.05482	1.1
69.03425	2.9
69.81479	4.9
71.04997	65.0
72.48457	0.9
73.02904	2.5
73.06171	1.5
73.06561	23.2
73.66875	0.8
75.04489	5.3
81.03427	1.5
83.04990	6.5
84.03992	1.1
85.02911	100.0
86.09704	1.3
87.04477	2.4
91.07594	2.9
97.02912	5.2
99.04441	2.1
103.03960	1.5
110.06052	14.0
111.04438	8.3
122.73421	0.9
123.04411	1.7
127.03907	7.2
129.05481	41.2
145.04956	5.4
147.06532	22.3
163.06026	2.1
164.09137	2.8
200.56386	1.2
206.08139	1.3
237.13243	2.0
243.47063	1.1
253.12926	1.3
254.10262	2.0
257.14621	1.0
273.09717	2.2
309.11984	1.4
416.14807	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86436	1.0
55.01855	1.3
55.05505	3.3
57.07072	1.3
63.15688	1.1
65.03938	1.2
67.05515	6.2
68.70773	1.2
69.03413	1.6
69.07056	4.6
71.04991	2.0
71.54898	1.3
79.05495	6.2
81.07062	12.7
83.04999	1.8
91.05470	14.3
93.07055	11.1
95.04965	2.9
95.08594	5.6
97.06601	1.5
99.08087	1.4
103.05440	2.4
105.07025	9.6
107.04955	1.8
107.08599	9.5
109.06533	3.8
109.10139	6.2
111.08035	1.2
115.05460	2.0
117.07010	5.5
119.08585	100.0
121.06545	1.6
121.10136	4.5
123.08066	1.2
123.11665	2.6
127.11257	2.1
128.06180	1.9
129.06996	2.8
129.56436	1.4
131.08572	5.6
133.06500	1.9
133.10135	9.1
135.08118	2.9
135.11699	3.7
137.06004	1.7
139.11238	1.4
141.06995	2.4
142.07784	3.5
143.08549	6.1
145.06451	1.7
145.10130	8.9
147.11690	4.7
149.05917	1.4
149.09630	2.4
149.13220	1.5
151.07503	1.8
151.11188	3.8
153.12689	1.7
155.08539	4.6
156.09375	3.8
157.10165	8.5
159.08014	2.3
159.11702	8.4
161.09740	1.5
161.13342	1.4
163.07535	3.3
163.11209	1.3
165.06969	1.3
168.09396	1.5
169.10104	4.6
171.08118	2.3
171.11656	6.3
173.09622	2.7
173.13206	1.5
175.11182	3.5
177.12675	1.4
181.10089	4.2
183.11667	5.8
184.08841	1.2
185.06023	1.4
185.09627	1.7
185.13301	2.9
187.11226	2.3
193.10052	1.7
195.11676	2.8
197.13229	2.9
199.11203	4.5
201.09180	1.6
205.12157	1.4
207.11694	2.8
209.13252	2.2
211.11189	3.0
211.14737	1.9
213.09071	1.9
215.10699	4.4
217.10088	1.5
217.12201	2.5
221.13281	1.7
223.11075	2.0
223.14827	3.8
223.63603	1.2
225.12691	1.9
225.16518	1.3
227.10709	9.2
228.50616	1.5
229.12212	3.9
239.18010	1.3
241.12181	4.0
243.13969	1.4
245.11754	2.7
251.14383	1.7
257.15454	2.0
269.15350	11.3
309.22079	1.9
351.23087	4.0
355.22775	4.0
369.24435	1.7
379.22614	4.8
397.23651	7.8
401.43848	1.3
415.26328	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	415.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
55.01872	1.5
55.05512	13.6
57.03429	6.0
57.07079	7.1
65.03931	2.3
67.05508	56.7
69.03416	2.2
69.07073	15.7
71.04999	2.6
71.08626	2.8
71.57998	1.7
71.58387	2.3
72.69933	1.3
79.05495	44.3
81.03412	1.8
81.07060	66.5
81.71877	1.4
83.04981	1.6
83.08617	8.3
85.06542	3.2
91.05485	35.7
93.07047	65.5
95.04967	6.3
95.08614	46.2
96.24420	1.5
97.06535	4.3
97.10155	2.4
97.38975	1.3
98.98471	81.5
99.08100	2.7
105.06390	2.1
105.07041	27.6
105.46397	1.7
107.08601	46.0
109.06499	3.8
109.10156	24.9
111.08091	2.5
113.09657	2.4
116.99548	1.9
117.07027	14.4
118.99050	1.4
119.08586	27.0
121.06535	2.1
121.10152	35.1
123.08060	4.5
123.11701	11.8
125.09616	2.3
128.06200	1.8
129.06987	3.4
131.08574	24.8
133.10136	17.9
135.08069	3.0
135.11691	32.2
137.09621	2.5
137.13252	4.2
139.11188	1.8
140.01051	1.4
143.08528	3.6
145.10143	27.2
147.11691	16.9
149.09598	4.5
149.13274	26.4
151.11145	2.5
151.14861	1.8
153.12712	1.5
155.01048	82.3
155.08548	3.5
155.14645	1.4
157.10133	5.8
159.11702	21.7
161.09619	3.8
161.13258	12.9
163.14847	18.5
165.12766	2.7
169.10135	3.1
171.11702	2.6
173.09685	1.8
173.13268	18.3
175.11189	1.9
175.14851	4.9
177.12770	2.1
177.16418	5.3
179.14294	3.4
181.10173	2.0
183.11691	4.1
185.13158	1.6
187.14859	11.1
189.16412	2.2
191.14345	2.6
199.14743	1.7
201.09138	1.8
201.16333	7.1
205.15912	1.8
219.17563	1.8
233.22588	4.3
239.10092	1.5
243.18787	2.7
243.21094	31.9
243.64476	1.4
261.22156	100.0
262.22437	1.9
299.60226	1.6
333.21796	1.6
351.23196	4.8
369.24216	3.8
379.22726	1.7
397.23764	3.0
409.12573	1.7
415.22375	5.8
415.26648	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	415.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01855	1.0
57.03406	0.7
65.03912	0.5
68.99777	0.8
69.03407	0.5
71.55538	0.4
79.05471	0.3
81.03393	1.0
83.01311	0.3
85.02911	1.4
91.05492	1.1
95.04946	0.6
97.02870	0.8
105.03391	0.2
107.04887	0.3
109.02883	1.4
111.04391	0.3
119.04958	3.5
121.02877	7.4
123.00837	0.3
127.03913	0.3
131.04926	0.4
135.04388	0.7
137.02335	0.5
141.01819	1.8
145.02855	3.0
147.04391	0.6
148.19505	0.2
149.02330	0.8
153.01790	0.2
159.04422	0.6
163.03909	5.0
165.01846	15.9
167.03362	0.5
169.02771	0.3
171.04372	0.4
175.03908	0.5
177.01825	0.5
177.05522	0.7
178.99763	0.2
179.03453	0.4
181.04912	1.3
183.02902	4.4
187.03963	2.1
189.01834	0.6
190.02634	0.3
191.03395	2.0
195.02931	0.2
197.00871	0.4
203.03395	0.5
205.04974	0.9
207.02890	0.6
209.04477	0.3
215.03351	1.1
221.04346	0.3
227.07147	0.2
229.04962	0.8
233.04471	1.0
239.07018	0.3
243.02979	1.2
253.08630	0.4
255.06514	0.5
261.03937	1.0
262.25848	0.3
263.07040	0.3
266.06006	0.3
267.06534	3.2
270.05289	1.6
271.06033	6.9
277.08707	0.5
279.06506	2.1
280.07083	0.3
281.04932	0.5
281.08084	11.8
283.06021	100.0
284.06519	3.9
289.08411	0.3
291.06570	0.5
293.08057	0.8
294.05081	0.7
295.06024	8.7
295.09625	2.5
296.06671	0.4
297.03961	0.8
297.07599	3.9
305.08060	3.0
307.06104	3.0
308.06802	2.7
309.04132	2.0
309.07553	31.5
310.07849	1.1
311.05505	1.0
312.84509	0.2
313.07077	4.0
321.07550	3.2
322.08185	0.2
323.05704	0.8
323.09122	14.8
324.09552	0.4
325.07040	1.1
333.07578	4.2
335.05499	0.8
337.07071	45.2
338.07373	1.4
338.32541	0.2
349.07080	13.0
350.07516	0.4
351.08670	3.5
355.08252	0.5
360.06250	0.3
361.07104	9.7
362.07260	0.5
367.08136	15.6
368.08575	0.5
379.08151	18.2
380.08542	0.6
397.09207	18.0
398.09491	0.6
415.10245	18.5
416.10721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1004
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
51.80941	5.3
69.87744	29.1
92.45827	5.8
97.55873	5.3
100.06026	6.3
107.91034	6.0
130.49295	6.7
151.00589	5.6
151.12239	6.3
155.23740	6.4
230.44511	5.9
324.70642	5.9
345.27017	6.2
415.10101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1028
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.03931	0.4
55.01868	0.9
57.03413	0.5
61.02895	0.3
65.03922	0.4
67.05481	0.4
68.99780	0.8
69.03413	0.4
71.56384	0.3
71.56758	0.3
72.35146	0.2
73.02915	0.3
74.29292	0.2
75.65804	0.2
79.05460	0.3
81.03414	1.2
81.07018	0.2
81.86182	0.2
85.02902	1.6
89.96257	0.2
91.05497	1.2
92.99747	0.4
95.04940	0.7
97.02869	0.8
99.04422	0.4
103.03939	0.2
103.05428	0.3
105.07059	0.2
107.04910	0.8
109.02886	1.2
115.05469	0.2
119.04944	3.0
121.02879	8.0
123.00797	0.5
123.04361	0.2
127.03889	0.5
131.04901	0.7
135.04390	0.7
137.02322	0.5
141.01820	1.5
145.02855	3.2
147.04459	1.0
149.02324	0.6
153.01865	0.4
159.04414	0.6
163.03923	5.0
165.01837	16.3
166.02136	0.2
167.03357	0.5
175.03918	0.4
177.01845	0.5
177.05455	0.8
178.99689	0.2
179.03372	0.5
181.04942	1.9
183.02896	4.9
183.08009	0.2
187.03896	2.1
189.01857	1.0
190.02534	0.3
190.99699	0.3
191.03415	2.1
192.70090	0.2
195.02794	0.3
197.00854	0.2
199.03932	0.3
203.03421	0.8
205.04979	1.2
207.02861	0.3
209.00888	0.3
209.04384	0.4
215.03343	0.9
229.04955	0.6
231.02832	0.5
233.02386	0.2
233.04443	0.9
239.07178	0.5
242.05667	0.4
243.02892	1.1
253.04941	0.3
253.08542	0.4
255.06456	0.7
261.04004	0.9
263.07089	0.3
267.06561	2.8
270.05246	1.3
271.06018	7.1
277.08490	0.2
279.06503	2.1
280.07211	0.4
281.04947	0.6
281.08105	11.6
282.05045	0.2
282.08374	0.2
283.06015	100.0
284.06454	3.9
287.06931	0.2
289.08694	0.2
291.06458	0.5
293.07892	1.0
294.05127	0.8
295.06009	8.5
295.09595	2.5
296.06415	0.3
297.03934	0.7
297.07544	3.1
305.08057	3.1
307.06012	2.7
308.06793	2.9
309.04138	1.8
309.07547	33.0
310.04794	0.3
310.07788	1.1
311.05457	0.9
313.07095	3.6
320.06650	0.3
321.07599	3.8
322.07925	0.3
323.05640	1.0
323.09116	15.8
324.09375	0.6
325.07120	0.5
333.07538	3.9
335.05493	0.8
335.09152	0.2
337.07065	46.0
338.07471	1.6
349.07050	11.3
350.07404	0.3
351.08630	3.6
355.08279	0.4
361.07080	10.6
362.07410	0.6
367.08130	18.0
368.08514	0.3
379.08133	19.3
380.08377	0.7
391.22006	0.2
397.09189	18.5
398.09616	0.7
415.10254	13.5
415.22961	3.9
415.64197	0.2
416.10501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14500	4.8
53.08723	4.4
58.17769	4.1
64.54397	4.2
67.05500	7.4
71.56312	4.5
71.56769	4.9
74.87542	4.6
79.05499	14.2
81.07061	19.9
84.50890	4.2
91.05473	21.7
91.12465	5.0
93.07057	15.8
95.05006	6.1
95.08599	10.6
96.75306	4.2
105.07043	27.2
107.08602	13.5
109.10177	15.0
115.05453	7.3
117.07033	7.5
119.08591	46.5
121.06542	12.5
121.10221	8.0
128.06184	5.4
129.07031	9.8
131.08586	10.7
133.10139	27.0
135.08038	5.7
135.11678	8.8
141.06998	7.9
142.07785	20.7
143.08574	12.6
145.10143	9.3
147.11697	8.2
150.87741	4.4
153.07011	10.3
155.08543	10.1
157.10129	78.4
159.11679	6.6
161.13293	5.7
165.06985	7.2
167.08582	17.7
168.09372	46.2
169.10178	10.9
171.11751	6.7
172.11937	5.7
173.09619	8.8
175.07544	8.2
177.09122	14.6
177.12785	19.4
181.06387	6.5
181.10060	22.9
183.11714	100.0
185.13258	4.9
192.54730	4.6
193.10146	32.3
195.11719	8.2
196.08804	11.3
201.09146	36.3
205.10036	5.1
211.11185	73.3
215.10677	36.8
216.11476	50.4
227.10750	6.6
229.12244	27.2
233.15419	13.5
235.14804	5.2
241.12292	11.2
285.15292	4.7
363.23251	9.1
379.22809	5.6
404.68417	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	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	28.4
61.02925	12.1
69.03082	2.1
69.03438	33.4
69.56576	3.6
69.56995	8.9
71.04963	3.4
73.02924	55.4
81.03422	5.2
85.02909	100.0
87.04446	4.6
91.03948	5.8
95.04951	5.7
97.02898	52.4
99.04442	4.2
109.02874	5.9
112.79950	1.8
115.03938	30.2
127.03928	27.7
133.04967	12.0
145.04971	50.4
150.07635	3.0
150.09129	1.8
163.06026	24.1
195.35971	1.9
223.06032	2.3
241.07065	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
57.03440	26.0
59.04983	2.3
61.02931	12.4
69.03437	34.2
71.01342	3.0
71.55708	2.9
73.02924	55.1
81.03416	4.7
85.02911	100.0
86.64464	1.7
87.04462	6.0
91.03959	6.9
95.04974	6.1
96.81011	1.7
97.02900	51.6
99.04462	4.2
103.03867	2.2
109.02905	9.4
115.03940	31.2
117.08305	2.2
127.03934	26.7
133.05003	15.2
145.03914	3.1
145.04982	52.9
150.07574	2.6
163.06021	25.6
223.05977	2.4
232.61601	1.8
241.07066	5.4
245.81329	1.9
259.08023	2.9
265.16589	2.5
414.22043	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	414.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	22.3
53.52312	19.4
54.06536	21.7
60.85119	19.5
67.05509	56.3
69.07070	32.5
71.08380	40.6
72.05374	22.8
79.05513	42.1
81.07051	78.9
91.05486	57.3
93.07039	74.4
95.04967	20.3
95.08618	75.0
105.07037	51.7
107.04974	21.5
107.08596	67.0
119.08578	69.0
119.38387	21.5
121.10095	22.1
129.07001	27.7
131.08551	33.2
133.10150	35.9
135.11691	56.2
143.08577	41.8
145.10107	37.0
146.10474	22.2
147.11681	32.4
159.11737	31.9
172.11922	22.7
173.09747	21.2
234.07266	17.8
234.81834	20.0
238.37997	17.7
243.42215	20.9
286.78995	20.3
379.22781	100.0
393.99304	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	414.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77633	0.7
57.03448	8.1
57.40520	0.9
61.02924	2.5
62.40370	0.7
69.03438	4.9
70.06593	3.3
71.05008	5.2
71.55491	1.2
73.02926	12.7
79.35049	0.7
81.03435	1.0
83.04993	1.1
85.02911	15.0
85.06553	100.0
93.27283	0.8
97.02914	8.6
103.07591	30.7
109.02888	1.7
115.03953	5.1
119.18638	0.7
123.04396	1.0
124.07632	0.8
127.03951	3.2
129.05511	2.7
129.10280	0.7
133.04967	1.9
136.06216	1.5
137.06033	0.9
139.03876	0.7
145.05000	2.9
147.06522	1.2
163.03966	2.0
163.06030	1.3
164.07054	0.8
164.81508	0.8
168.41557	0.7
234.15042	1.3
252.12358	1.0
252.15993	1.3
259.08331	0.9
414.17557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
56.96573	1.9
57.03438	2.4
61.02937	1.9
61.16862	0.7
66.96529	0.7
67.05511	2.0
68.05022	4.4
69.03435	10.1
69.07105	0.9
70.06600	10.0
71.05014	1.7
71.55144	0.7
71.55550	1.0
71.97182	0.9
72.08153	1.3
73.02930	3.2
79.05508	3.3
80.05061	1.0
81.03412	4.5
81.05820	2.4
82.06586	1.5
83.05000	1.9
83.06123	0.9
83.10146	0.9
84.04508	1.7
84.08148	3.7
85.02425	1.5
85.02916	20.9
86.09695	1.2
87.04480	1.5
91.05522	0.9
94.04163	0.8
94.06570	7.9
95.05003	1.6
96.08141	37.7
97.02902	6.4
98.06135	0.8
98.97595	4.5
99.04475	2.4
100.07624	1.2
101.00858	1.0
107.04971	1.8
109.02893	3.1
110.07178	1.4
111.04462	2.4
112.07607	12.2
112.79292	0.8
114.09181	100.0
115.09512	1.2
115.34099	0.7
116.98622	2.5
117.05527	1.8
119.01916	1.4
119.03584	0.9
123.04460	2.3
124.74199	0.8
127.03939	3.2
130.08678	1.5
131.01941	1.5
135.04437	1.5
136.06204	53.5
137.05923	1.7
138.05547	1.7
139.03957	2.3
142.08643	19.7
143.01923	2.2
145.05017	2.3
150.07811	1.0
155.01904	1.0
158.08136	4.6
160.07698	1.2
160.09711	22.7
160.10953	1.6
161.03018	2.5
161.06059	2.9
161.10194	1.0
163.03957	2.0
164.07130	2.8
167.07034	2.5
170.08125	1.8
173.02899	1.4
175.07571	1.4
177.00708	1.6
181.08693	0.9
187.08711	2.4
192.10266	2.1
200.09523	1.0
204.06638	1.0
206.08189	1.1
215.10600	3.4
219.01680	1.1
228.11281	1.5
233.09038	0.9
234.11363	2.8
237.02847	2.2
240.12340	1.4
244.10919	1.8
252.08669	2.0
252.12436	7.4
254.05643	1.0
268.11856	5.6
282.05554	1.1
286.12888	11.7
289.12927	1.9
293.10654	0.9
294.05417	1.9
294.11108	1.3
304.13910	13.1
312.06305	2.2
316.12531	1.0
324.09860	1.1
340.15488	3.6
354.07477	1.0
355.12411	1.4
369.15652	2.3
372.08328	0.9
390.09576	1.0
396.16501	5.0
405.64160	1.2
414.17670	80.8
415.17920	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	413.2324
Annotation	Scoparic Acid B
Peak:m/z	Relative Intensity
54.53291	2.8
55.05516	4.2
63.19340	2.8
67.05498	13.8
69.07061	8.3
71.04990	11.6
71.36088	6.7
79.05486	13.9
81.03432	3.2
81.07063	15.6
85.01461	2.7
85.06493	2.7
91.05485	35.2
93.07043	16.4
95.04976	6.2
95.08614	18.1
99.08090	8.9
103.05492	3.7
105.03327	3.3
105.07040	29.3
107.08612	13.4
109.06491	4.0
112.86398	2.8
113.09644	13.9
115.05461	7.4
117.07016	26.9
119.08600	20.5
121.06516	6.2
121.10130	5.7
127.07561	3.7
128.06200	7.3
129.07005	14.1
131.08604	15.0
133.06487	9.7
133.10156	14.5
135.08076	17.4
135.11667	9.0
141.07056	7.4
142.07782	7.2
143.08562	18.6
145.06508	4.7
145.10132	14.4
146.81776	3.1
147.08092	9.6
147.11725	6.9
151.07481	4.3
153.07034	3.4
155.08551	24.3
157.10101	8.9
159.08044	5.9
159.11716	16.3
161.09657	6.7
161.13324	8.0
165.07063	8.3
165.09171	3.8
166.07797	6.4
167.08606	8.6
169.10118	14.9
171.08040	7.2
171.11726	5.0
173.09618	9.5
175.07567	4.1
175.11169	6.0
177.09013	5.5
178.07715	3.4
179.08551	14.3
180.09262	5.3
181.10153	17.7
182.10829	3.2
183.08076	5.5
183.11711	9.2
185.09538	6.6
187.11215	4.5
189.09126	4.5
191.08611	7.9
192.09346	6.0
193.10104	12.5
194.10858	4.6
195.08083	4.8
195.11725	11.4
197.09612	9.9
197.13222	5.4
199.11229	4.5
201.09137	4.8
203.08566	6.7
205.10136	11.8
206.10802	3.5
207.11693	13.8
209.09683	9.5
209.13237	9.7
211.11314	4.3
215.10587	4.1
219.08049	3.2
219.11720	10.7
220.12439	3.6
221.13260	7.2
223.11215	7.1
225.12802	6.0
231.11713	7.0
233.13268	6.6
235.11150	6.8
235.14835	10.0
243.13885	6.2
245.13293	13.1
248.11998	3.8
253.12213	4.4
261.12735	4.5
261.16577	4.1
263.14313	11.2
265.12225	4.6
265.15976	3.1
273.12915	3.7
279.13757	4.6
279.17389	3.6
281.15366	8.9
291.13818	8.6
307.17130	6.5
307.20544	3.5
309.14941	17.6
315.15988	5.9
321.22073	3.9
323.16577	4.1
331.16989	3.8
331.20529	14.9
335.19720	3.7
339.19553	3.5
349.21600	23.9
359.20120	7.1
367.18869	3.6
367.22708	21.9
377.21188	26.9
395.22189	100.0
396.22488	4.2
413.23230	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01876	3.3
55.05503	9.5
67.05514	22.3
69.03436	4.3
69.07071	11.9
70.26836	10.7
71.04991	5.8
74.24547	2.9
75.04529	3.0
79.05495	29.6
81.03407	3.1
81.07056	36.5
83.04978	7.3
83.08630	5.2
91.05488	55.6
93.07037	40.0
93.52882	3.2
95.04972	13.8
95.08608	36.2
97.02979	3.2
97.06524	4.6
103.05495	7.4
105.07036	50.7
107.04982	4.2
107.08606	26.8
109.06515	9.7
109.10173	9.7
111.08085	5.0
113.09677	4.1
115.05461	10.6
117.07020	60.1
119.08582	41.2
121.06512	8.1
121.10147	13.6
123.08080	8.0
123.11716	7.0
125.05998	4.5
128.06223	15.5
129.07028	16.0
130.07762	4.0
131.08560	34.4
133.06516	7.8
133.10132	26.9
135.08054	100.0
135.11710	14.0
135.44759	3.5
137.05994	5.1
141.07001	8.2
142.07835	7.4
143.08571	21.8
145.06508	10.6
145.10141	29.2
147.08064	11.8
147.11714	19.7
149.05946	4.6
149.09653	13.3
151.03900	5.3
151.07556	10.9
153.06946	5.1
155.08568	16.4
156.09523	3.2
157.10124	18.6
158.07344	4.5
159.08046	10.5
159.11700	45.9
160.08907	4.1
161.09593	30.4
161.13252	16.0
163.07561	16.9
163.11153	4.0
165.05707	3.2
165.07018	6.7
166.07787	4.5
167.08607	7.3
168.09322	5.4
169.10150	16.9
171.08031	4.7
171.11740	8.7
173.09625	28.8
173.13254	8.1
175.11191	39.8
177.09129	6.3
177.12801	6.3
179.08531	8.5
181.10114	11.0
183.08018	3.6
183.11696	10.5
185.09608	12.4
185.13335	8.8
187.11203	15.8
189.09076	7.5
189.12714	6.5
191.08554	3.6
191.10483	3.5
193.10164	9.9
195.08105	5.0
195.11662	6.7
197.09608	11.8
197.13278	8.0
199.11220	6.6
199.14705	4.3
201.09119	5.4
201.12860	3.5
203.10654	3.6
205.10292	7.3
205.12276	23.2
207.11745	8.2
209.09662	6.0
209.13306	7.7
211.11201	8.9
213.12712	4.7
215.10664	5.2
215.14331	3.3
216.09525	3.6
219.11809	4.3
220.08986	3.4
220.12112	3.7
221.13327	3.6
223.11150	4.2
223.14896	5.0
225.12782	7.3
227.10728	6.7
229.12286	4.9
235.11197	4.0
235.14874	9.5
237.12721	7.0
239.14336	4.7
241.12306	4.4
243.10123	3.7
245.13499	4.3
249.12898	5.9
251.14279	7.3
253.16014	4.2
255.10098	4.4
261.16617	3.6
263.14444	4.4
281.15515	4.2
291.14035	3.3
299.16479	4.3
309.14853	3.6
321.22180	4.5
331.20532	8.4
333.22290	9.0
349.21600	10.0
351.23209	4.4
359.20251	3.3
367.22668	10.7
377.21201	11.8
379.22638	5.0
395.22153	48.4
395.26352	4.5
413.23154	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2324
Annotation	Pallidone J
Peak:m/z	Relative Intensity
53.03959	6.5
55.01888	3.1
55.05511	7.8
55.70953	2.9
55.95208	2.8
67.05521	20.7
69.03445	8.2
69.07066	13.1
70.10787	13.0
71.04992	13.2
71.93366	2.7
79.05497	21.4
79.05890	3.1
81.03396	3.7
81.07059	29.1
83.04977	6.9
83.08605	4.9
91.05494	32.2
93.07050	29.6
93.09779	2.6
95.04984	11.0
95.08610	28.4
97.06506	5.5
98.20865	4.8
99.04427	4.2
99.08138	8.3
103.05508	4.3
105.07034	38.5
107.04974	5.3
107.08618	18.1
109.06524	7.6
109.10154	10.6
113.09673	16.8
115.05471	7.0
117.07055	30.2
119.08601	31.6
121.06519	12.4
121.10181	15.0
123.08064	4.1
123.11687	7.5
128.06265	8.2
129.06970	14.5
130.07791	3.4
131.08568	24.1
133.06491	5.6
133.10138	17.9
135.08060	12.7
135.11740	7.4
137.05994	8.7
141.06998	9.5
142.07796	8.5
143.08545	18.8
145.06473	8.4
145.10123	25.0
147.08052	10.8
147.11707	11.0
149.09628	8.7
151.07549	4.6
151.11237	4.6
153.07007	5.2
154.07791	4.4
155.08604	18.2
156.09280	4.2
157.06528	4.6
157.10158	18.3
159.08113	10.2
159.11705	16.6
161.09570	7.8
161.13303	9.1
163.07571	3.7
165.07063	7.0
165.09204	3.4
167.07199	3.6
167.08583	11.8
169.10213	23.7
171.08049	10.1
171.11720	6.9
173.09608	13.5
173.13213	3.7
175.11188	6.4
177.12737	4.7
178.07765	8.0
179.08607	13.5
180.09329	5.2
181.10092	14.4
183.08087	10.2
183.11807	10.4
185.09615	4.6
187.11162	6.7
187.14806	3.1
189.09149	6.2
191.08575	6.2
192.09297	4.8
193.10185	15.9
195.08237	6.7
195.11729	9.7
197.09633	9.4
197.13268	3.1
199.11168	5.4
201.09027	5.5
203.10686	3.9
205.10172	9.2
205.12088	5.3
206.10892	5.6
207.11711	12.7
209.09589	9.0
209.13382	6.7
211.11176	5.4
213.09198	4.1
215.08661	6.0
215.10762	8.9
217.10289	4.5
218.10994	5.6
219.11745	10.4
220.12416	5.4
221.09753	3.8
221.13358	6.8
223.11259	6.0
223.14880	6.1
225.12743	4.6
227.10677	6.1
233.13290	7.5
235.14888	12.2
237.12775	6.3
243.10054	7.2
243.13861	4.7
245.13422	8.1
247.11232	4.6
247.15010	4.9
248.12033	4.4
249.12688	4.5
250.77509	3.1
251.10727	3.4
251.14319	7.4
253.15863	4.8
255.13905	4.1
261.12823	6.4
261.16476	3.4
263.10751	3.3
263.14355	13.6
265.12207	4.5
267.14081	4.5
273.12634	5.2
279.13824	6.2
281.15295	8.1
291.13882	9.5
309.14938	8.1
312.94806	3.7
315.15970	5.2
321.14810	4.7
321.22141	6.7
325.14209	4.8
331.20700	14.0
337.17990	4.0
339.19540	4.3
349.17807	4.5
349.21564	24.2
359.20010	12.3
367.18835	4.6
367.22723	26.1
377.21149	21.9
385.23758	3.5
395.22247	100.0
396.22394	5.2
413.23212	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.37714	0.4
56.78911	0.5
57.03447	0.7
61.02919	0.5
68.84215	0.5
68.99782	0.5
69.03427	1.3
70.06582	0.6
70.71481	1.3
73.02924	0.9
77.34192	0.4
85.02901	2.6
86.03246	0.6
97.02897	1.0
105.07015	0.5
108.83978	0.5
123.04486	0.6
124.07506	0.5
127.03910	1.8
129.91351	0.5
143.08533	0.6
145.04950	0.9
149.02365	0.9
153.01950	0.6
159.95210	0.5
165.96802	0.6
175.03899	0.9
203.03540	0.5
203.05292	1.3
231.06448	0.8
237.81213	0.5
245.04575	1.2
247.06068	1.0
259.05841	0.5
287.05453	4.7
293.15942	0.7
311.17352	0.7
356.40964	0.5
395.07520	0.6
413.21466	100.0
414.21558	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	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.4
55.05508	3.4
57.03435	19.9
60.36892	1.9
61.02929	13.9
61.17394	2.0
69.03436	35.2
70.26472	5.0
70.26868	4.5
71.01355	3.8
71.04975	5.7
73.02515	2.7
73.02924	71.4
81.03423	5.5
83.08615	6.7
85.02910	100.0
87.04484	4.8
91.03922	2.6
97.02897	58.9
99.04467	4.4
103.03955	3.5
107.08596	2.4
109.02885	6.6
111.04459	2.4
115.03930	30.6
123.04419	2.5
127.03932	29.0
133.04970	34.8
139.03894	3.1
139.07626	2.8
145.04973	49.3
150.07616	4.0
163.06015	19.1
193.04961	3.2
215.12720	2.3
217.07295	2.7
223.06017	6.5
241.07054	4.3
259.08075	6.7
263.14893	3.7
340.68515	2.2
412.20279	18.0
413.21570	10.8
413.26398	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
54.46515	0.5
55.05512	1.0
56.05050	1.1
56.85991	0.5
57.03443	0.8
68.99821	0.5
69.03427	1.1
70.06596	0.8
71.55603	0.9
72.08167	0.6
73.02939	0.6
74.06075	2.4
81.03417	1.1
81.07046	0.6
82.06573	0.8
83.08613	2.0
83.38448	0.4
85.02921	2.2
96.08167	0.6
97.02882	0.9
98.06069	2.1
101.09668	0.7
102.05563	1.2
110.06062	6.8
119.03525	2.6
120.06597	8.3
123.04472	0.6
124.07592	2.9
127.03909	1.1
136.06198	100.0
137.04591	1.6
139.03957	0.8
140.07091	1.6
142.08649	11.3
154.08640	3.7
162.04131	61.0
163.03973	1.4
221.54250	0.5
225.16049	0.5
251.13910	2.4
268.10580	0.6
281.09961	45.4
282.10126	0.7
287.05627	1.7
328.21271	0.5
329.60867	0.5
413.08847	0.8
413.14075	5.3
413.18985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.2
55.05503	7.6
57.03191	2.7
57.03441	37.9
59.71203	2.4
61.02927	16.6
63.65746	2.9
65.50244	2.3
67.05514	3.0
69.03430	41.1
71.01348	3.9
71.04992	7.4
71.26222	3.9
71.26563	3.5
72.91309	2.6
73.02922	69.0
79.05485	5.6
81.03409	7.1
81.07036	5.1
83.08614	6.2
85.02909	100.0
87.04485	4.9
91.03976	3.5
91.05494	4.1
93.07041	10.7
95.04952	3.3
95.08597	8.8
97.02900	64.5
98.97592	25.7
99.04478	3.2
107.08601	7.8
109.02882	9.5
109.10139	4.0
110.97572	2.9
111.08088	4.0
115.03929	46.8
116.98647	5.2
121.10148	10.3
127.03934	29.5
129.09166	2.4
133.05002	14.4
145.04974	45.0
150.07669	4.4
154.08018	2.5
158.99658	18.0
163.06009	17.6
177.00714	10.0
177.16495	4.3
179.10667	2.6
207.09653	7.5
216.10158	39.0
216.60371	4.5
225.10690	20.1
241.07098	5.6
245.13968	3.3
259.08081	3.9
263.14969	5.5
295.10327	3.3
331.19458	4.8
412.22049	12.5
412.72397	3.7
413.21371	4.7
431.19254	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	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38523	1.8
57.03444	23.8
61.02934	9.8
67.17042	1.6
69.03432	25.6
70.06581	1.7
71.05000	2.1
71.42145	2.6
73.02925	48.5
81.03410	6.6
83.08611	4.3
85.02909	100.0
86.99480	2.0
87.04449	3.0
91.03936	4.4
95.41153	1.7
97.02283	3.5
97.02898	49.1
99.04468	4.1
109.02872	10.7
115.03935	30.3
124.07584	5.1
127.03926	28.6
127.57835	1.7
133.04967	8.2
145.04971	63.9
150.07571	4.0
163.06041	36.4
168.44943	1.9
218.88695	1.7
223.05919	2.7
241.07117	5.8
248.13081	2.2
250.10730	5.4
259.08188	5.9
263.14886	10.8
295.10257	3.6
383.14258	1.8
412.20105	6.9
426.37830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65067	2.9
53.71696	2.8
54.73253	3.7
55.05508	5.7
57.03439	12.1
69.07076	14.1
71.04997	61.1
71.56016	4.7
71.56361	3.6
73.02898	4.9
79.47048	3.3
83.04990	10.5
85.02914	100.0
87.04476	4.8
91.05473	4.7
97.02912	5.7
99.04449	4.4
111.04462	7.6
111.08142	3.6
123.04456	3.9
127.03952	6.8
128.50395	3.2
129.05499	39.6
139.03838	4.1
145.04991	10.1
147.06549	23.0
153.05551	2.9
163.06017	5.4
164.09248	5.7
184.52974	3.0
207.81239	3.4
218.55269	3.9
250.10764	21.2
260.06424	4.6
412.10959	5.7
413.21503	57.2
433.86743	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	412.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25187	2.3
53.03935	4.4
55.01871	3.2
55.05511	9.8
58.99584	4.7
67.05524	12.7
69.07070	10.1
70.02950	8.1
71.55264	3.4
71.55637	3.2
73.02920	6.8
74.00696	2.7
79.05495	25.5
80.13309	2.6
81.07060	42.4
82.07367	2.8
82.50244	2.4
86.00661	3.4
86.06117	2.1
88.02222	26.6
88.03997	99.6
91.05481	40.5
93.07052	37.1
95.04963	6.2
95.08600	26.7
97.01134	4.5
103.05455	5.4
105.00087	3.6
105.07038	72.9
107.08585	26.5
109.06485	2.9
111.02693	3.0
115.05453	7.3
116.06241	3.8
117.07027	37.9
119.08585	34.4
121.06532	7.4
121.10149	5.7
121.39841	2.7
122.02757	9.0
123.04481	3.0
123.08109	2.7
128.06244	14.0
129.07001	19.7
130.07831	12.4
131.08582	67.7
132.01143	5.2
133.06500	3.5
133.10136	13.2
134.02740	6.0
135.11754	5.3
137.05989	9.3
141.07033	5.2
142.07794	17.7
143.08571	45.3
144.09386	15.4
145.06477	6.1
145.10124	66.8
146.10603	3.2
147.08096	5.2
149.04239	5.9
151.05789	3.8
151.07466	4.5
155.08539	11.6
156.09364	7.2
157.06531	2.8
157.10135	40.6
158.10852	3.5
159.11699	100.0
161.04167	14.5
161.09653	4.0
161.13326	3.0
163.05685	4.1
163.07591	4.7
165.06990	3.0
168.09387	4.2
169.10107	5.5
170.10924	8.2
171.08035	5.9
171.11736	8.9
172.12509	2.8
174.80107	2.4
175.05957	5.2
175.07573	12.9
175.11209	2.6
177.07455	2.9
178.08635	9.5
183.11668	11.2
185.13260	58.1
187.14832	98.7
189.09105	3.3
189.12724	2.7
195.11696	11.4
213.12741	37.7
217.10503	20.2
219.12030	12.0
231.13803	40.7
235.11458	3.5
245.10008	4.1
247.11482	2.8
263.11023	17.6
265.12573	10.8
306.15128	3.4
323.13107	5.6
334.14679	3.2
352.15808	18.2
366.17291	4.5
412.17215	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	411.2168
Annotation	andiconin
Peak:m/z	Relative Intensity
50.02090	4.8
50.74562	4.5
51.54529	4.8
53.52146	4.8
55.01867	7.9
55.05514	14.8
59.68046	4.7
67.05497	34.8
69.03429	35.4
69.07069	13.4
69.86027	16.2
69.86431	8.5
71.01340	4.3
74.50555	4.5
78.05158	4.5
79.05493	41.8
81.07059	48.3
83.04965	4.7
83.08641	6.5
91.05494	73.7
93.07050	48.8
95.04971	20.1
95.08604	29.8
97.06543	35.5
103.05466	9.0
105.07041	88.9
107.04949	6.5
107.08604	37.0
109.06544	12.9
109.10179	8.4
111.08098	18.8
116.06181	6.4
117.07013	57.9
118.25314	5.1
119.04948	5.0
119.08595	56.3
121.06526	10.4
121.10166	15.4
123.08072	12.1
123.11713	7.1
125.06086	6.3
125.09630	5.7
128.06203	25.9
129.06996	29.5
130.07799	7.0
131.08572	60.6
133.06491	12.9
133.10136	44.2
135.08081	20.0
135.11707	10.1
137.06001	9.6
141.07019	16.0
142.07809	19.2
143.08556	46.2
145.06497	13.3
145.10123	39.2
147.08031	30.6
147.11705	16.1
149.05962	6.4
149.09563	12.6
149.13298	10.6
151.07623	7.5
152.06287	6.9
153.07036	7.1
154.07777	13.8
155.08559	32.0
157.06490	5.7
157.10158	36.2
159.08069	12.1
159.11703	26.2
161.05980	9.6
161.09647	31.3
161.13268	6.8
163.07480	7.2
165.07068	16.6
167.07242	5.4
167.08554	19.4
169.10123	27.4
171.08011	23.4
171.11699	19.6
173.09636	14.3
175.11226	19.0
177.09106	11.7
178.07788	11.1
179.08588	18.4
180.09315	7.6
181.10152	18.8
183.11679	15.1
185.09705	14.1
185.13315	10.1
187.07547	10.2
187.11279	5.9
189.09154	17.2
191.08601	7.5
192.09363	15.0
193.10141	22.0
195.08231	6.2
195.11717	21.6
197.09639	19.4
199.11177	12.5
199.14957	5.2
201.09158	9.8
203.08652	6.2
203.10674	6.4
204.09416	5.7
205.08463	7.3
205.10185	19.0
205.12082	5.2
206.10947	7.6
207.10022	8.3
207.11746	13.2
209.09653	9.8
209.13268	16.3
211.11180	9.9
215.10721	14.9
217.10185	14.1
219.11740	17.2
220.09023	5.9
220.12500	8.8
221.13379	13.1
223.11250	14.0
225.12759	9.8
227.14334	5.2
229.12259	5.4
231.11763	11.2
233.13382	11.4
235.11261	13.0
235.14919	14.3
237.09096	5.7
237.12726	13.7
241.12279	8.7
245.13303	11.9
247.11058	8.3
249.12848	6.2
251.10706	5.4
255.14001	9.6
261.12982	7.8
263.10846	5.2
263.14169	11.4
275.14273	6.3
279.14011	8.9
281.15396	11.5
291.13791	12.2
291.17328	10.8
303.17383	6.4
305.15231	5.5
305.19220	5.4
309.15054	7.9
311.45084	5.3
319.17004	7.7
319.20508	17.0
321.18393	7.6
323.20139	6.7
329.18927	11.8
329.92871	5.0
331.17178	5.4
333.18610	6.2
337.21707	9.3
347.20151	39.3
351.19641	8.9
357.18616	7.1
365.17429	7.2
365.21188	48.1
375.19592	30.7
393.20566	82.8
411.21555	100.0
411.26193	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	411.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01874	10.0
55.05499	9.8
57.07070	3.8
59.39079	3.4
65.03936	5.2
67.05508	32.3
69.03436	22.4
69.07067	16.6
69.46515	6.3
69.46918	20.4
71.04980	5.7
71.21069	3.8
79.05501	36.7
81.07059	48.8
83.04984	10.5
90.07878	3.2
91.05485	64.2
93.07047	49.0
95.04972	18.4
95.08621	30.1
97.06557	17.3
97.10139	4.6
98.20753	6.0
105.07036	75.2
107.04944	10.5
107.08595	30.5
109.06509	10.0
109.10155	14.5
111.08083	10.2
115.05481	9.6
116.06262	4.3
117.00424	3.4
117.07030	41.1
119.08582	50.1
121.06534	19.4
121.10151	15.7
123.04451	4.7
123.08061	7.2
128.06198	16.3
129.07024	33.1
131.04906	5.6
131.08577	49.9
133.06474	8.8
133.10144	44.6
135.08064	16.0
135.11702	10.1
137.05977	14.8
137.09589	6.0
141.06995	12.6
142.07748	18.9
143.08588	33.5
145.06485	10.7
145.10124	38.8
146.07225	4.4
147.08070	22.1
147.11684	16.1
149.05972	4.6
149.09641	14.2
149.13232	5.9
151.07532	13.7
153.07004	10.1
154.07820	5.2
155.08583	21.1
156.09338	6.8
157.06523	3.7
157.10152	30.4
158.07298	5.7
159.08086	14.7
159.11705	24.9
161.09618	23.4
161.13304	7.0
163.07535	9.6
163.11183	7.5
165.05589	7.2
165.07011	12.1
165.09126	4.2
166.07787	8.4
167.08537	16.8
168.09389	8.6
169.10170	24.4
171.08054	14.6
171.11691	12.2
173.06017	5.3
173.09583	16.9
173.13307	4.0
175.07597	8.9
175.11188	15.9
177.09108	12.0
178.07748	7.7
179.08572	12.6
180.09410	4.9
181.10120	18.9
182.07352	5.0
182.10796	3.4
183.08040	8.1
183.11734	19.8
185.09627	13.9
185.13297	9.7
187.07585	8.0
187.11169	12.0
189.09138	9.6
189.12811	3.9
191.08685	4.0
191.10651	6.8
192.09372	8.8
193.10158	13.4
194.10913	7.1
195.08052	5.2
195.11696	13.1
197.09648	12.7
197.13303	10.6
198.10037	4.1
199.11168	10.7
201.09117	7.9
201.12769	4.4
203.08588	6.1
204.09300	4.8
205.10153	9.4
207.10059	4.7
207.11731	11.6
209.09685	8.8
209.13271	11.5
211.07559	4.5
211.11220	14.9
211.14935	5.5
213.12729	7.1
214.23087	3.9
215.10703	10.4
217.10277	5.6
218.10919	4.2
219.09903	5.2
219.11775	9.2
220.09039	4.2
221.13263	7.3
223.11235	9.4
223.14864	3.7
225.09189	7.7
225.12735	4.1
227.10661	8.7
229.12199	7.2
230.10927	4.1
231.11763	5.3
233.09676	5.4
233.13335	7.2
235.11185	4.0
235.14839	11.1
237.12794	8.8
237.16360	4.5
239.10791	7.0
239.14285	4.9
241.12305	6.8
243.10158	13.2
244.12442	4.2
245.13318	8.6
247.11099	4.1
249.12773	8.5
251.14285	4.9
257.13205	5.7
258.14093	5.2
261.12741	5.5
261.16504	3.7
263.10651	7.9
263.14359	12.0
263.17532	5.3
265.12164	4.4
273.12634	5.4
279.13882	6.3
281.15421	5.7
285.11295	3.8
291.13809	8.8
297.15204	3.8
299.16449	4.1
307.16727	4.6
313.21405	4.1
319.20551	8.5
329.19006	14.8
333.18060	5.0
347.20038	25.9
357.18591	6.1
365.21158	31.7
375.19492	16.2
383.22217	4.7
393.20581	83.9
394.21036	6.4
411.21634	100.0
411.27039	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	411.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58030	2.4
69.03414	2.9
70.15488	4.8
70.15873	6.3
84.08128	3.2
85.02921	3.0
98.97585	7.1
101.00902	7.0
110.97564	2.7
119.01945	20.1
129.78459	2.4
131.01932	5.2
143.01900	11.4
145.03477	14.0
155.01857	3.8
157.03511	9.4
161.03041	15.1
167.01950	2.6
171.01395	4.4
173.02893	4.0
185.03015	3.3
185.12575	2.5
189.02414	17.2
197.03015	2.9
201.02478	8.0
203.04033	3.3
219.03746	2.9
221.05159	9.4
231.03493	12.2
245.05144	5.1
261.04608	4.1
273.04605	7.4
279.80435	2.8
285.04535	4.0
291.05606	8.7
303.05765	2.9
309.06396	3.8
334.14954	4.5
351.07828	17.7
411.09058	100.0
411.14410	4.5
411.23773	4.0
438.44348	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	410.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
53.45364	0.4
53.72792	0.4
56.96563	0.6
57.03440	1.2
61.02928	1.0
63.87302	0.5
66.45787	0.5
67.05513	0.9
68.05027	2.0
69.03441	4.5
69.07073	0.6
69.36718	4.7
69.37061	0.8
70.06598	4.8
71.05001	3.2
73.02915	1.1
79.05497	1.7
81.03429	1.9
81.05801	2.0
82.06606	1.0
83.05005	1.3
84.08137	1.5
85.02916	10.6
86.09718	0.9
87.04474	0.7
88.03981	0.9
89.06016	0.9
89.52815	0.5
94.06573	4.7
95.09979	0.5
96.08139	28.2
97.02910	3.0
98.20737	1.0
98.97590	1.2
99.04503	0.7
100.07645	0.8
106.24063	0.5
111.04448	0.5
112.07620	10.9
112.99130	0.7
114.09177	100.0
115.09505	0.7
116.07119	1.0
117.05521	0.8
127.03928	1.3
130.08676	1.4
142.07573	0.8
142.08649	13.8
158.08160	4.2
160.09711	36.7
162.06242	0.5
171.05115	0.6
181.95029	0.6
182.08145	0.6
202.10780	0.8
217.87320	0.5
219.01877	0.8
221.05096	0.7
240.12434	0.8
241.61929	0.5
248.14949	3.7
268.11810	3.6
275.70444	0.6
276.14377	0.6
286.12888	6.6
304.13934	15.2
314.08148	0.7
315.81079	0.5
321.10898	0.6
325.08487	0.6
347.59198	0.5
392.19180	0.8
407.14346	0.5
410.20236	73.2
411.20596	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	411.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51477	1.6
58.30960	1.5
61.44495	1.6
64.40246	1.4
65.90996	1.4
65.91378	1.5
71.54819	2.7
74.17396	1.6
75.85037	1.7
91.07337	1.5
99.96607	1.4
103.88615	1.4
159.45119	1.5
172.23674	1.5
188.49173	1.9
258.62561	1.5
351.11417	3.7
395.15326	1.5
411.09039	100.0
412.09442	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.05513	20.4
55.46583	1.9
57.07071	5.7
59.05019	2.3
59.62396	2.6
61.53169	2.0
67.05506	37.2
69.07070	27.7
70.70650	5.4
71.04990	19.2
71.08619	3.2
77.03948	2.4
79.05124	2.1
79.05506	21.3
81.07058	100.0
83.05000	2.7
83.08618	11.1
85.06551	4.7
89.06039	3.5
91.05477	26.8
93.07046	88.4
95.04967	3.9
95.08611	93.9
97.06560	4.4
97.10167	15.9
105.07032	59.2
107.08595	76.4
109.06506	8.0
109.10153	52.8
111.08115	13.0
111.11717	2.5
113.09625	5.1
114.55582	2.3
117.07012	6.1
119.08581	87.4
121.10144	64.7
123.08092	2.9
123.11728	27.1
129.07039	3.3
131.08603	21.4
133.10132	41.0
135.11697	40.6
137.09605	7.2
137.13264	8.2
143.08565	7.1
145.10106	24.0
147.11711	33.9
149.13264	68.5
151.11198	5.8
151.14842	3.8
157.10144	12.3
159.11690	38.6
161.13261	37.5
163.14828	25.7
169.10069	2.6
171.11707	10.8
173.13246	23.8
175.14804	24.5
177.12758	2.7
177.16391	8.5
179.14232	3.2
183.11745	4.3
185.13260	6.6
187.14819	16.5
189.16402	20.6
191.17903	8.2
195.12177	2.1
196.12663	2.7
197.13173	2.9
199.14818	8.4
201.16411	12.8
203.17923	17.1
205.15967	2.4
207.83257	2.8
211.14838	4.6
213.16356	14.1
215.17972	12.7
217.19521	34.4
227.17999	12.0
229.19557	9.4
231.21051	8.0
239.18091	2.2
241.19542	5.8
243.21101	4.7
245.19043	4.7
253.19783	3.4
255.21059	8.8
257.04385	3.0
257.22623	13.4
259.24124	11.0
259.70889	2.8
267.21121	4.5
283.24271	3.8
285.21985	2.7
295.24161	3.6
351.30392	14.0
379.76407	2.9
391.33392	16.5
409.34650	68.5
410.35028	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	410.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75497	0.3
57.03429	0.6
61.02929	0.6
64.04826	0.3
69.03435	2.4
71.01038	0.8
71.04982	0.3
73.02895	0.6
77.85458	0.3
81.03407	0.6
81.07030	0.5
85.02908	7.6
87.04477	0.6
91.05451	1.0
95.02239	0.3
97.02879	1.4
98.06059	0.5
98.06975	0.3
99.04452	0.6
99.39693	0.3
103.03969	0.4
109.02876	0.8
119.04915	0.6
123.04359	0.6
127.03941	1.7
136.05196	0.6
143.61432	0.4
145.04935	0.5
151.07553	3.2
163.06236	0.6
170.32199	0.3
175.07616	0.8
182.08607	0.5
190.08760	0.4
191.65813	0.3
193.08636	0.8
218.11760	1.3
230.11639	0.4
231.08783	0.8
232.09756	1.6
233.10486	25.9
234.10741	0.4
246.11310	3.6
248.12834	100.0
249.13126	2.6
290.13882	1.9
406.10660	0.4
410.09686	1.1
410.18298	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	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
54.24381	1.5
54.40782	1.4
55.01873	10.1
55.05518	17.1
57.03432	4.2
57.07082	16.9
59.43866	1.2
66.83194	1.0
67.05495	7.6
67.29976	1.3
69.06724	2.4
69.07072	28.9
71.08640	10.1
71.56468	1.9
79.05479	3.6
81.03423	13.2
81.07053	9.2
83.08628	18.5
85.10181	5.6
91.05473	2.2
91.66241	1.2
93.07048	4.5
95.08614	8.1
97.06536	1.2
97.10182	13.1
99.04460	1.9
103.35389	1.0
105.07026	4.8
107.08589	3.8
109.02885	20.8
109.10157	7.7
111.08056	1.3
111.11704	7.0
113.00007	3.6
115.00424	2.1
115.03950	6.2
115.79813	1.1
117.06985	1.8
119.08571	3.6
119.20098	1.1
121.10139	2.5
123.04461	2.3
123.08100	1.6
123.11673	4.0
124.04601	1.2
125.13270	3.4
127.03924	100.0
128.04417	1.1
131.08588	3.2
133.10139	2.9
135.11679	1.6
137.13257	1.7
141.05460	5.3
143.08623	1.3
145.10135	3.5
147.11697	2.2
151.07570	1.3
151.11206	1.6
155.07001	2.0
159.11729	1.6
161.13182	2.2
163.14897	1.2
168.06503	1.4
169.02611	3.4
169.08632	4.5
171.03021	1.9
173.13251	1.5
175.14835	1.6
177.09155	2.2
183.10188	11.5
183.11644	1.9
187.14868	2.0
195.10139	4.9
197.11748	7.0
199.14874	1.5
209.11674	1.5
211.13260	4.9
223.13307	2.1
225.14873	5.2
237.14948	2.4
239.16335	5.9
251.16402	3.5
253.17944	7.1
265.17981	4.5
267.19595	4.0
272.23395	1.3
279.19489	2.7
281.21210	2.2
295.22812	1.6
307.22601	2.6
309.24182	3.9
321.24142	1.9
335.25867	1.6
391.32092	27.4
409.09229	1.4
409.28036	6.8
409.32208	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.4
55.05503	15.2
67.05502	18.0
68.65942	5.1
69.03419	7.2
69.07056	13.2
72.38642	5.2
79.05484	11.1
81.03391	7.6
81.07054	25.0
83.08622	10.3
85.02895	20.1
85.06527	11.2
91.05478	13.1
93.07055	33.8
95.04980	10.4
95.08612	35.8
97.02875	6.8
99.08092	67.1
105.07040	23.0
107.08614	46.6
109.10158	16.1
111.08068	8.8
111.62520	5.8
119.08604	55.5
121.10107	15.4
123.04445	28.4
123.11658	7.2
124.07560	8.3
125.07851	7.0
132.97417	5.3
133.10129	86.4
135.11693	45.4
137.09610	14.4
138.05521	58.7
139.03900	7.2
147.11865	8.1
162.02248	6.5
163.03964	37.9
163.05202	6.8
163.14822	100.0
175.14845	54.4
181.15869	25.6
193.15910	58.7
199.16949	19.0
211.16922	91.9
229.18016	72.6
247.06140	22.8
247.18880	6.0
248.12880	28.9
257.04401	21.6
259.06036	27.7
271.05988	8.1
287.05594	19.5
350.84116	5.8
376.65015	6.1
409.09207	35.0
409.18500	50.6
410.12723	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05514	4.0
57.07074	3.3
59.04998	1.1
64.41773	1.1
67.05520	6.0
69.07065	5.4
69.34397	2.5
69.34797	8.9
79.05489	6.5
81.07077	10.6
85.06516	1.2
86.24290	1.0
88.95322	1.4
91.05489	8.5
93.07054	8.4
95.04980	4.3
95.08608	6.7
96.31679	1.3
103.05476	1.2
105.07037	29.8
107.04973	2.8
107.08598	5.0
109.06539	2.4
109.10159	2.5
115.05457	3.3
117.07029	6.2
119.04929	1.5
119.08582	12.6
121.06505	2.5
121.10141	3.3
123.04413	3.2
123.08060	2.3
123.11702	1.6
125.05975	1.6
127.54766	1.3
128.06235	3.2
129.07071	5.5
131.04993	2.5
131.07588	2.0
131.08580	39.4
133.10115	7.5
135.08066	6.5
135.11679	2.1
137.05998	4.3
141.07042	2.9
142.07796	8.3
143.08578	25.8
144.09300	2.3
145.06538	1.7
145.10144	15.8
147.04433	1.4
147.08038	2.3
147.11725	4.5
148.05196	3.5
149.06100	1.1
149.09615	2.6
151.07585	4.9
153.05511	1.7
155.08546	3.7
156.09364	3.2
157.10155	26.0
159.08086	2.4
159.11728	23.6
161.09676	2.7
161.13274	1.4
165.05540	2.1
165.09146	1.6
166.06314	8.4
167.07127	2.6
167.08649	1.4
168.07800	2.4
169.10117	3.0
170.10884	1.3
171.07985	1.8
171.11682	9.9
173.05988	1.5
173.09676	3.6
173.13211	7.0
175.07564	2.7
175.11180	1.4
175.14799	3.3
177.09155	2.1
178.09940	1.7
181.08620	40.0
181.10211	2.6
183.11760	5.0
185.06075	1.2
185.09711	1.4
185.13283	42.2
186.13620	1.5
187.11209	1.5
187.14874	5.9
189.09169	9.9
190.10002	2.6
191.07101	1.1
194.09404	3.6
195.10138	1.9
195.11732	1.7
197.09723	2.5
197.13208	3.0
198.14177	1.3
199.11224	3.4
199.14850	30.9
201.16403	21.1
203.10675	4.5
204.11462	15.9
205.08614	2.5
207.10216	1.9
209.11768	4.1
211.11195	1.7
220.10953	4.1
221.11786	4.1
227.10701	4.3
227.17896	2.7
233.11731	2.2
235.10948	2.9
235.13290	46.6
241.19539	100.0
242.19937	2.6
245.04514	1.4
245.11624	1.6
257.04483	5.0
363.19696	3.3
367.22794	3.9
373.18735	1.4
385.29172	1.3
391.18790	3.0
409.09195	4.9
409.19653	5.7
409.27737	14.6
415.64990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.8
55.28768	7.2
67.05492	12.2
68.99419	6.6
69.03442	9.5
69.07085	10.8
70.12294	14.3
70.12686	15.7
71.04953	7.3
79.05504	7.5
81.07060	17.5
85.02905	21.3
85.06581	8.5
91.05474	9.1
93.07063	36.2
95.04975	7.8
95.08623	28.2
99.08099	51.5
100.80846	6.8
105.07047	16.2
107.08611	50.4
109.10155	17.9
119.08582	60.7
121.10153	14.1
123.04440	24.4
123.11738	15.5
127.07497	7.4
133.10162	77.6
135.11699	34.7
137.09596	9.1
138.05521	29.9
139.03896	14.0
163.03926	39.4
163.14844	77.4
175.14827	54.5
181.15912	26.1
193.15895	42.9
199.17017	21.4
211.16978	83.9
229.18004	70.3
241.05034	8.3
247.06046	25.1
248.12827	13.0
257.04480	22.0
259.06046	27.1
287.05612	18.5
409.09412	33.1
409.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
67.05487	3.6
68.99796	6.7
69.03432	4.9
70.06596	2.3
71.07774	3.1
75.19418	1.5
76.57418	1.6
80.11475	1.3
81.03428	4.3
81.07074	2.5
83.01366	2.1
85.02924	4.3
86.09657	1.4
91.05479	3.0
93.07053	3.9
95.04974	3.7
95.08616	1.9
97.02888	4.5
99.04491	2.3
105.03407	3.3
105.07034	4.8
107.04999	1.5
107.08597	6.1
109.02902	4.4
109.06535	3.0
111.00842	2.5
119.04913	2.4
119.08603	4.6
120.08092	1.9
121.06495	1.4
123.04444	72.8
124.79453	1.4
127.03929	6.6
128.06221	1.6
131.04965	3.1
133.10156	5.8
135.04436	3.4
135.11667	1.7
137.02376	1.6
139.03896	4.5
145.06474	2.4
147.04422	10.2
149.02353	4.2
149.06017	2.0
151.03897	7.5
155.04948	1.6
157.10120	2.2
159.04440	1.9
159.11769	1.8
161.06004	2.0
161.09616	1.6
163.03938	8.6
163.14815	7.2
173.05988	3.0
175.03928	15.8
175.14844	3.2
176.04538	1.5
177.05527	6.4
181.06557	2.0
181.15930	3.0
185.06023	1.6
187.03958	5.7
189.05467	5.7
191.03421	3.2
193.04996	18.8
193.15977	2.7
199.16922	1.9
201.05522	6.2
203.03394	23.2
203.07143	1.9
211.08653	1.6
211.16965	5.0
213.05470	3.5
213.10217	1.8
215.03477	7.4
217.04982	7.0
225.10359	3.1
229.04993	18.4
230.05661	3.5
239.08127	5.9
239.12041	1.7
241.04935	3.8
243.11330	5.4
245.04489	32.8
247.06065	7.8
247.13417	6.2
253.09924	3.6
255.06577	3.1
257.04486	51.7
257.07080	3.0
258.05234	6.2
259.06015	10.8
259.10913	2.7
262.11218	2.3
267.11389	2.8
268.08405	3.4
271.06088	14.9
271.10791	12.6
277.11966	2.1
283.06100	20.3
285.12366	2.2
287.05524	89.9
288.05814	3.0
295.10760	2.8
297.07611	3.2
299.05591	11.4
307.06012	1.6
313.11996	3.4
323.10147	5.4
325.07104	2.9
331.12808	2.4
335.12430	2.4
341.11285	8.1
373.13968	5.5
381.09586	2.1
391.08237	6.5
391.14923	10.3
409.09186	100.0
409.16010	52.7
410.09552	3.5
410.16064	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.05520	6.4
67.05514	14.0
68.99806	6.3
69.03446	7.7
69.07064	8.0
70.06570	6.6
70.36003	17.3
71.05014	6.5
72.08157	9.7
79.05496	9.8
79.60480	4.4
81.03422	7.0
81.07053	24.7
83.08627	5.1
85.02427	4.4
85.02913	16.7
86.09697	5.1
91.05494	17.3
93.07053	19.7
95.04967	12.9
95.08608	38.6
97.02901	6.1
101.06014	9.3
105.07027	27.6
107.08601	18.4
109.10168	19.8
111.04427	6.2
114.09194	4.8
119.08622	40.8
120.08114	9.7
121.10106	10.0
123.04442	53.6
123.11739	7.9
123.30884	4.6
131.04903	5.8
133.10123	28.8
135.04353	5.7
135.11700	12.0
135.63957	4.3
136.07681	4.0
137.02353	5.1
137.13243	5.0
139.03923	5.5
144.07961	4.1
145.10110	5.4
147.04372	9.9
147.11708	12.1
151.03902	6.4
159.04463	14.8
163.03920	13.1
163.14873	19.3
165.81819	4.1
172.78265	4.1
175.03964	14.4
175.14844	54.0
177.05591	6.2
185.05936	5.7
187.03943	5.5
193.05040	14.4
193.15877	23.0
199.16913	10.4
201.05460	5.5
203.03461	25.1
203.05086	8.1
208.79413	4.7
211.16866	26.0
215.03558	8.2
217.05034	8.9
229.04965	14.7
229.18048	16.9
236.17606	5.8
245.04466	24.9
247.06064	16.8
247.19073	31.1
257.04492	46.9
258.05368	5.1
259.05991	6.1
271.06033	18.7
271.62338	4.6
279.06491	4.9
283.06091	16.2
287.05511	66.3
299.05533	16.5
391.08188	7.8
409.09253	100.0
409.18527	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	409.2008
Annotation	10',11'-Deshydrocyclolycoserone
Peak:m/z	Relative Intensity
53.03941	3.6
55.01865	4.8
55.05512	3.8
65.03944	1.7
65.20020	1.6
67.05510	22.4
69.03416	5.8
69.07060	3.0
71.07932	3.7
79.05505	10.1
81.07069	8.9
83.08610	1.7
85.31519	1.9
87.06288	1.6
87.21392	1.9
91.05479	20.2
93.07049	21.5
95.04977	16.2
95.08613	17.5
97.06519	2.3
103.05474	3.0
105.07030	20.4
107.04958	3.2
107.08602	7.4
109.06519	3.7
109.10171	2.0
113.05997	2.4
115.05474	6.4
117.06997	10.7
118.88866	2.1
119.04969	2.4
119.08578	16.4
121.06538	8.4
121.10172	9.6
123.04410	2.1
123.08093	2.5
128.06206	8.8
129.06972	8.3
131.04948	2.1
131.08589	10.6
133.06490	3.0
133.10135	7.4
135.08044	5.9
137.05949	4.1
137.09618	3.7
141.06984	5.1
142.07779	5.9
143.08585	8.9
145.06488	4.4
145.10138	10.9
147.08095	5.5
147.11710	3.1
149.09599	6.7
151.07523	2.7
153.07047	2.3
154.07811	3.0
155.08546	11.5
156.09346	2.8
157.10129	9.7
158.07358	2.1
159.08057	6.2
159.11703	6.1
161.05957	2.6
161.09636	8.8
163.07585	2.4
165.06963	4.0
165.09152	3.9
167.08574	3.9
169.10172	8.8
171.08055	6.3
171.11705	6.4
173.09673	6.9
175.07539	3.5
175.11206	3.7
178.07767	2.1
179.08574	5.6
181.10097	8.9
182.07350	3.4
183.08057	4.9
183.11694	5.7
185.09613	4.9
185.13374	2.1
187.11137	4.2
189.05296	1.9
189.07068	1.8
189.09109	3.9
190.09804	1.7
192.09341	2.3
193.10175	8.5
194.10921	3.1
195.11710	4.9
196.08867	2.8
197.09558	6.8
199.11203	2.7
201.09122	5.0
203.08635	3.7
204.09383	3.5
205.10135	5.3
206.10919	2.8
207.11725	7.1
209.09659	5.3
209.13289	2.9
210.47177	1.9
211.11192	5.1
213.09193	3.3
213.12711	3.2
217.10173	4.2
218.10979	3.4
219.11772	5.3
221.13261	3.0
223.11160	3.6
225.08986	2.7
227.10732	3.8
229.10159	2.3
230.10925	3.8
231.11745	4.6
232.12587	1.8
233.09514	3.6
233.13316	6.2
235.11238	3.9
235.14903	4.0
237.12756	2.0
239.10683	2.6
243.11885	2.9
244.12407	4.0
245.13361	2.9
246.10193	2.0
247.11221	2.7
247.14854	2.6
249.12837	2.6
251.10724	3.2
255.11819	3.9
257.04562	3.9
259.15057	2.1
261.16507	2.1
275.14346	3.8
277.12274	3.0
279.13904	2.6
284.15485	2.9
287.14380	2.4
289.12503	1.7
291.13803	2.3
299.18039	1.8
303.13901	2.3
303.17337	3.3
305.15323	2.1
315.11899	1.7
317.18890	2.8
321.14725	2.1
327.17450	3.8
335.20087	2.5
339.15961	3.8
345.18457	7.1
349.14331	9.1
363.19577	6.4
367.15393	29.3
367.19479	3.4
373.18094	2.5
391.19104	14.0
409.08823	3.4
409.20084	100.0
410.20410	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.5
55.05510	11.4
63.98258	6.9
67.05490	28.9
69.07063	19.5
71.36375	12.4
79.05499	45.6
81.07072	52.0
83.04987	16.7
91.05486	58.9
93.07062	26.6
95.04967	18.9
95.08601	25.0
103.05450	17.6
105.07034	58.6
107.04960	18.1
107.08614	16.7
109.06525	40.3
109.10149	25.3
115.05457	24.1
117.07000	42.5
119.04959	9.9
119.08587	40.0
121.06537	50.0
121.10180	15.5
123.04456	19.1
123.08085	9.9
125.05979	8.9
128.06155	11.1
129.07028	16.7
129.36465	7.0
131.04924	12.3
131.08571	40.3
133.06519	9.4
133.10120	18.3
135.08092	13.9
135.11720	9.7
137.05968	35.2
141.06984	15.8
142.07764	11.3
143.08524	42.3
145.06503	50.0
145.10124	42.6
147.04413	17.1
147.08049	20.6
147.11708	13.8
149.05945	10.8
149.09613	10.0
151.07501	65.0
154.07800	9.2
155.08540	15.0
157.06439	8.2
157.10159	26.0
159.08072	25.8
159.11688	28.8
161.09645	15.7
161.13248	11.2
161.18701	8.5
162.61371	8.7
163.07530	26.6
165.06992	11.2
167.07054	15.1
167.08505	13.5
169.10112	22.0
171.08095	12.9
171.11684	22.3
173.05940	11.6
173.09621	12.0
173.13231	16.7
175.07622	19.6
177.09111	100.0
181.06403	8.6
181.10031	17.5
182.07242	7.7
183.11708	17.5
185.09634	9.8
185.13313	8.1
187.07521	11.0
187.11272	14.7
189.09129	11.6
193.10182	10.4
196.09041	9.0
197.09615	17.4
199.11205	16.6
201.12746	16.3
211.11191	8.6
215.10680	24.5
217.12074	9.0
229.05008	16.3
229.12279	33.0
245.04437	9.0
257.04443	51.3
313.16150	10.0
345.18524	8.7
360.93039	9.0
391.18872	43.9
409.09039	29.7
409.19992	51.8
410.98520	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	409.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
55.05519	0.8
65.04630	0.7
65.18040	0.7
68.99790	3.8
71.57620	1.1
71.83024	0.7
72.08144	0.8
73.98938	0.7
77.03952	0.9
81.03418	0.8
81.07078	1.0
83.08611	0.9
85.02910	1.5
91.05479	1.7
95.04966	1.3
97.02878	0.9
105.03400	1.7
109.02843	0.9
111.00823	0.9
116.01685	1.1
119.04903	0.8
121.06579	0.8
123.04435	41.6
124.07587	1.1
127.03942	1.1
129.06998	1.3
131.04913	1.1
134.19693	0.8
135.04393	1.2
139.03905	3.2
139.05424	0.7
145.06447	1.1
147.04413	3.0
149.02322	1.6
149.06070	0.7
151.03885	4.4
153.01817	0.9
159.04359	1.4
161.05978	1.4
161.07268	0.8
162.02203	1.9
163.02649	1.1
163.03876	4.0
173.05943	1.7
175.03938	7.9
177.05487	2.9
181.04939	0.7
181.06415	0.9
187.03897	3.2
189.05437	4.7
191.03378	2.0
193.04976	12.9
197.05884	1.0
199.08650	2.8
200.09416	1.3
201.05437	3.0
203.03421	15.0
209.05994	0.7
211.08711	3.3
212.09793	1.4
213.05460	2.8
213.10213	2.3
215.03413	5.1
215.11853	0.8
217.04924	3.5
217.09738	2.0
224.09425	1.2
225.10300	5.1
229.04953	8.9
229.09654	3.5
230.05560	1.4
231.06458	1.9
237.05476	1.3
237.10193	0.9
239.08154	5.7
239.11780	4.3
240.08838	2.4
241.05002	2.5
241.09677	5.0
241.13300	1.1
242.10408	0.9
243.07594	1.1
243.11269	7.1
245.04449	17.2
246.04771	1.1
247.06009	3.8
252.08873	1.6
253.09718	6.6
254.10431	1.1
255.06537	3.0
257.04468	21.1
257.09219	2.2
257.12897	1.8
258.05267	3.5
259.06049	5.2
259.10715	4.0
267.07849	1.7
267.11301	5.9
268.08417	6.3
271.06174	10.2
271.10767	26.5
272.11298	1.0
273.12363	2.4
275.10242	3.0
277.11890	3.1
281.09219	1.5
283.06003	11.2
285.09076	1.3
285.12338	4.5
287.05505	47.9
288.05997	1.1
289.11868	2.0
295.10971	4.2
297.07568	2.7
299.05502	8.3
300.11108	1.0
303.13406	0.9
313.11816	6.9
317.11221	2.8
323.10300	9.0
327.13318	1.6
331.12747	1.0
335.12213	3.7
341.11356	15.0
345.14398	2.2
355.12888	4.3
359.12332	2.0
367.07971	1.6
369.48529	0.9
373.13889	12.4
391.08237	1.8
391.14990	21.8
409.09189	55.2
409.15991	100.0
410.09683	3.2
410.16006	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0917
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
61.53030	0.3
62.02430	0.3
62.03444	0.3
65.87170	0.4
69.03412	0.4
71.57865	0.4
81.07045	0.3
83.04963	0.5
89.02748	0.3
91.05453	1.4
93.07024	0.4
93.11288	0.3
95.08548	0.3
105.07025	0.8
108.84424	0.3
117.09353	0.4
119.04961	2.9
123.04435	5.0
134.53633	0.3
139.03938	0.8
147.04411	5.4
151.03891	0.4
155.04907	0.9
163.03865	0.5
165.05432	0.6
173.05986	0.5
175.03938	1.9
183.04427	0.7
187.11180	0.4
192.53242	0.3
197.06139	0.4
201.05461	1.4
203.03406	6.4
213.05470	0.7
215.03564	0.6
229.04987	11.9
230.05563	0.8
241.05000	1.3
245.04475	13.4
257.04468	100.0
258.05151	5.1
258.44421	0.4
259.06012	0.7
267.78317	0.4
269.04514	1.0
271.06012	1.7
285.03876	0.4
287.05508	6.8
333.79587	0.4
391.08099	0.9
404.84583	0.3
409.09201	44.1
410.09500	1.3
413.62100	0.4
432.95013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	9.7
65.03980	5.8
67.05495	12.2
69.03421	11.6
69.07066	18.6
71.04990	7.1
71.55408	12.2
73.61245	6.5
76.56213	5.6
79.05500	14.6
81.03400	10.9
81.07042	20.2
85.02901	17.8
86.06087	10.4
86.69902	6.7
91.05491	21.7
93.07042	17.0
93.89937	6.5
95.04951	6.9
95.08614	27.0
100.98979	6.9
105.07059	37.6
106.02937	6.3
107.04935	8.7
107.08604	34.7
109.10157	9.4
115.05453	9.7
116.07133	36.6
117.07009	6.8
119.04966	16.8
119.08600	41.3
121.10156	13.7
123.04447	44.2
124.03960	13.1
125.09612	18.2
130.06573	8.6
132.04469	13.1
133.10127	37.2
135.04448	13.7
135.11697	11.8
137.05991	14.3
137.09662	7.3
139.03883	10.6
143.04907	22.9
144.06587	82.9
145.10179	6.3
147.04344	8.6
147.11778	14.7
151.03891	9.8
151.07541	13.9
153.08978	5.7
157.07626	16.6
161.05974	12.3
163.03934	16.6
163.14865	8.5
164.07092	19.7
175.14832	100.0
177.05498	12.8
178.08673	26.0
181.04985	18.8
181.08702	7.0
185.07082	12.4
193.12341	6.8
193.15883	42.1
203.03410	10.4
211.13258	7.9
211.16853	9.7
213.09140	9.5
216.16467	6.5
228.10078	6.8
229.05037	11.1
245.04445	42.0
246.04797	30.9
246.11372	15.2
247.06096	7.3
257.04401	32.6
258.05060	11.4
283.06232	9.3
287.05563	42.6
303.09775	8.8
313.08267	7.5
331.09357	20.4
354.99976	7.1
359.08740	29.1
377.09576	29.5
390.16724	12.7
391.15143	12.6
408.07947	29.3
408.18872	15.4
409.09192	55.8
409.18463	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84706	2.5
55.05518	3.1
67.05507	2.8
69.03428	3.7
69.07064	5.1
70.24776	11.2
79.05482	3.3
79.50137	3.0
81.07069	7.3
83.04987	4.9
83.08633	3.0
85.02944	3.9
85.06571	3.3
86.09721	3.8
90.71996	2.4
91.05516	5.8
93.07034	5.7
95.05013	5.3
95.08603	14.5
98.20808	3.9
98.97559	4.8
105.03413	7.3
105.07043	8.0
106.06583	13.5
107.04967	5.2
107.08613	6.3
107.78470	2.5
109.06506	4.5
109.10172	10.3
111.08089	4.8
115.05460	16.7
118.06480	3.8
119.08570	12.6
120.08128	5.6
123.04446	8.2
123.08095	3.8
123.11736	6.9
128.98524	2.8
133.10149	6.9
135.11728	10.1
137.06006	7.2
137.09590	3.1
143.04922	38.5
144.05785	3.7
146.05963	3.1
149.13275	3.6
151.07481	3.3
160.05249	3.3
161.06050	3.3
163.06310	10.0
173.06049	3.6
175.07567	12.7
175.14845	17.1
178.08658	100.0
179.08757	3.1
193.15887	25.5
199.07518	12.7
207.07985	6.3
211.07524	30.9
211.16959	39.3
213.09242	14.9
216.41481	2.7
229.08687	3.5
235.07579	5.5
236.08276	5.9
253.08624	4.2
267.12506	3.6
268.11053	6.4
271.09689	4.6
288.89294	3.0
339.64465	2.5
373.14386	8.7
390.16913	25.2
391.15625	7.7
408.18161	68.9
409.18274	11.6
427.16165	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	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.0
58.82314	3.6
67.05521	8.2
69.07066	4.2
70.06586	4.5
70.33213	11.0
71.04992	3.5
77.52786	3.9
77.98747	3.5
79.05496	5.2
79.32048	3.3
81.03444	3.5
81.07053	6.2
83.04987	5.3
85.02922	3.8
86.09707	4.7
87.15368	3.4
91.05499	13.1
93.07048	5.2
95.08631	16.4
98.32761	3.8
98.97572	4.4
99.87914	3.2
105.07040	7.7
107.05016	4.2
107.08614	5.9
109.10164	7.1
119.08580	13.6
121.06468	3.6
123.04427	9.4
133.10162	11.3
135.04431	4.0
137.09622	16.2
139.03926	5.7
145.06567	3.3
153.05453	4.4
163.03931	100.0
175.14848	21.4
193.15926	21.8
201.05501	5.1
203.03223	3.8
213.05522	14.6
241.04961	6.0
243.06702	4.7
245.04546	5.1
247.06024	24.7
257.04510	8.2
259.06091	47.2
296.92157	3.7
325.07004	10.2
408.07828	4.8
409.09030	23.4
409.18365	10.6
425.14371	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	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40948	0.7
55.88465	0.6
69.03427	1.1
70.06588	0.6
70.99893	1.1
71.00235	1.2
75.67011	0.6
78.04723	1.4
78.41515	0.5
81.03411	0.7
85.02908	2.5
86.04943	0.6
91.05510	0.7
93.07002	0.6
96.20494	0.6
97.02893	0.7
105.07031	0.8
107.04952	0.9
109.02863	0.7
121.06548	0.9
123.04469	3.5
124.05270	0.9
134.52013	0.6
144.13011	0.7
147.04498	0.7
149.05972	2.8
151.03949	0.8
167.07059	100.0
168.07413	1.1
181.08641	3.9
193.08641	3.7
203.03290	0.8
211.09694	15.2
222.30731	0.6
229.10748	8.7
245.04532	1.0
246.04990	1.0
251.61069	0.7
257.04523	0.7
287.05536	1.7
408.08087	1.1
408.16379	1.5
409.09207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
57.03411	0.7
69.03411	1.3
69.91462	2.8
70.06602	2.7
72.40586	0.5
78.04729	0.7
79.05468	0.8
81.03426	0.5
81.25302	0.6
81.89544	0.5
84.08176	0.5
85.02910	3.4
91.05500	1.1
91.62006	0.6
93.07034	0.9
95.02036	0.5
95.04949	0.8
97.02916	0.9
99.04450	0.5
100.07597	0.6
101.49208	0.5
103.05471	0.7
105.07025	0.8
106.04166	0.7
107.08566	0.5
108.08062	0.4
109.02922	0.8
112.07609	1.6
114.00055	0.4
114.09179	0.7
121.06515	1.3
123.04442	6.4
124.05189	0.9
124.07523	0.7
137.05974	0.9
139.03874	1.1
140.07043	1.2
147.04439	0.8
149.05989	2.1
151.03899	1.1
161.05995	0.9
163.04004	0.7
166.08583	0.5
167.07051	100.0
168.07408	1.9
175.03874	0.8
181.08607	2.3
193.05009	0.6
193.08644	3.7
203.03429	0.7
211.09657	13.8
215.03429	0.6
218.08057	0.5
229.10767	7.7
245.04465	1.6
246.04979	0.5
257.04449	1.7
271.06009	0.7
283.06097	1.6
287.05438	3.5
408.08099	1.3
408.16907	1.2
409.09341	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	408.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
59.58231	0.7
60.07340	0.5
65.03941	0.6
65.24890	0.6
69.03416	0.7
71.56319	0.5
77.03934	0.8
79.05485	1.5
81.03407	0.6
91.05474	5.3
95.04975	2.0
101.69614	0.5
105.03415	6.3
106.06564	15.0
107.04966	3.7
113.44966	0.5
115.05465	18.6
115.31239	0.6
117.07006	0.8
118.06546	2.0
119.04929	2.3
119.07343	0.7
120.08151	3.5
121.06498	0.7
123.04452	8.2
125.09627	0.7
128.06233	1.0
131.04950	1.8
135.04405	1.5
137.06003	6.5
142.07759	0.8
143.04933	40.8
144.05688	2.7
146.06029	2.3
147.04445	1.2
147.06697	0.7
149.06075	0.8
151.07567	4.0
152.06255	1.0
153.07033	1.4
155.08507	1.1
159.04326	0.6
160.05219	3.9
160.65067	0.5
161.06026	3.4
162.06816	0.8
163.06296	13.8
163.07492	0.7
165.06985	1.3
167.07121	0.7
167.08580	1.5
171.08141	0.9
173.05969	4.4
174.06705	0.8
175.07571	12.2
176.07103	1.1
178.08655	100.0
179.08649	3.8
181.05049	0.9
181.06438	2.7
181.10243	0.5
182.05339	0.8
183.08102	1.6
185.07004	0.6
189.07031	0.7
191.08539	0.8
193.06593	0.6
194.07375	0.5
195.08076	1.8
197.05931	1.0
198.15787	0.9
199.07562	15.6
207.08054	7.0
208.08875	5.5
210.06734	1.1
211.07552	29.2
212.08060	1.0
213.09122	15.1
219.08035	1.3
223.07533	2.3
224.08304	1.4
224.10725	0.7
225.09134	2.8
229.08685	3.0
235.07559	5.2
235.09634	0.9
236.08377	3.5
237.09206	0.8
238.06200	0.8
239.07037	1.1
241.08563	0.7
249.09326	0.7
251.07088	2.1
251.10735	0.8
252.07890	1.0
252.10229	3.5
253.08662	5.6
254.09241	0.6
256.10907	0.6
257.04437	0.9
265.08618	1.4
266.09323	3.8
267.10046	1.4
267.12582	5.3
268.10944	5.3
268.13373	0.7
271.09705	4.0
283.06458	0.5
283.09641	0.7
285.11310	1.9
329.11813	0.6
341.11783	1.9
358.12177	0.9
361.14243	0.8
373.14420	6.2
390.16992	28.8
391.15363	8.1
408.18085	55.6
409.09088	1.0
409.18494	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	408.1807
Annotation	MK-2206
Peak:m/z	Relative Intensity
54.10857	1.4
69.73882	7.0
91.05495	8.4
95.04952	1.8
105.03394	14.3
106.06530	4.3
107.04961	18.8
111.04427	1.7
115.05461	18.5
117.06998	3.0
118.04204	1.4
119.04927	2.9
119.07308	1.4
123.04421	4.1
128.06230	2.1
129.06985	1.9
131.04979	2.7
134.05971	1.4
135.04428	2.5
137.05965	11.5
143.04936	40.7
145.06480	3.9
149.05899	1.6
151.07562	6.9
153.07045	3.1
155.08582	3.0
160.05183	9.3
161.05989	5.1
163.06277	5.4
163.07501	1.5
165.07027	3.9
167.08548	1.7
171.08067	6.8
173.06038	4.0
175.07539	22.0
175.14851	2.9
178.08684	37.3
179.08519	1.6
181.06519	3.2
183.07976	2.6
183.41925	1.4
191.08571	14.8
192.09299	9.3
195.08072	1.3
199.07559	16.9
203.08571	2.1
206.07175	1.4
207.08099	5.8
209.09610	2.8
211.05502	3.0
211.07556	58.1
211.17012	3.7
213.09142	11.9
219.08119	12.7
220.08800	9.0
221.09702	3.8
223.07607	1.6
225.09158	4.5
229.08603	42.1
231.08154	1.8
235.07532	4.1
236.08417	2.0
237.09108	18.9
239.10765	1.7
249.09221	5.3
250.09857	4.7
251.10675	2.1
252.11493	24.8
253.08749	1.8
266.09439	2.1
267.10245	1.9
313.12442	1.6
313.44037	1.4
331.13303	1.9
341.11789	5.9
358.11777	1.9
359.12576	1.9
373.14389	24.5
390.17017	94.3
391.15292	13.1
408.18082	100.0
409.18274	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	408.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01886	1.5
55.05264	2.0
55.05516	31.6
55.59587	1.3
58.99590	19.0
68.05044	1.3
69.07053	1.5
70.06601	2.3
71.47998	1.1
71.56064	1.6
73.01149	1.9
76.02245	8.6
76.03996	2.7
78.01852	1.6
79.05495	3.1
81.07051	4.9
83.06143	1.8
83.08625	44.6
83.09122	2.3
84.04519	24.7
84.08193	1.4
85.01167	1.4
85.02917	2.5
86.09711	1.9
86.99059	11.3
88.02222	4.4
95.04955	1.5
96.08121	2.1
99.05607	1.6
101.09673	2.4
107.08597	1.7
111.80299	1.1
115.05784	1.8
116.01685	61.7
123.04453	2.0
124.07601	28.2
129.06555	2.0
129.07426	1.7
130.05016	4.8
139.03938	1.7
142.03241	5.3
144.01152	29.5
145.06125	2.8
151.03787	1.5
156.10239	1.9
159.08405	41.6
162.02217	100.0
163.03899	1.8
167.07076	2.4
170.02747	2.4
176.11081	4.7
181.08516	1.3
199.07162	1.8
201.48833	1.3
203.03389	1.4
210.57339	1.2
211.07425	1.5
212.07921	1.5
215.06694	1.8
238.05638	1.3
241.04550	1.4
244.10056	1.8
246.04788	2.7
246.07890	3.1
257.04440	2.3
260.11630	1.5
261.10712	6.3
262.11111	42.3
272.06555	1.2
274.11420	1.3
279.13788	18.2
287.05484	2.4
294.22693	1.4
302.10977	4.2
311.08640	1.5
318.10925	3.8
319.11334	16.7
326.53748	1.5
331.12076	1.2
332.12506	3.1
333.12946	7.5
333.14407	6.0
334.13675	5.9
408.07846	2.4
408.17944	4.3
409.09302	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05518	6.7
57.03439	6.2
57.07082	14.5
65.03941	1.9
67.05505	12.7
69.03419	2.6
69.07076	17.8
71.08670	13.0
79.05502	7.8
81.03397	2.8
81.07065	17.9
83.05010	2.3
83.08625	5.7
85.10186	2.3
89.06028	4.3
91.05493	7.7
93.07056	9.8
95.04988	3.4
95.08607	17.4
97.06545	2.8
97.10162	1.6
102.09519	1.4
105.07052	12.2
107.08601	6.2
109.10149	7.6
111.11752	4.4
113.00025	100.0
117.07007	3.4
117.98267	1.3
119.08596	13.7
121.02842	2.8
121.10163	6.5
123.11739	3.0
129.12759	2.7
131.08586	6.0
133.10149	5.4
135.08096	3.1
135.11682	2.2
139.01591	2.4
141.90565	1.5
143.08560	3.4
145.10152	6.6
147.11771	3.0
149.02354	67.6
149.13284	2.4
150.02747	1.9
151.07565	1.7
155.08560	2.6
157.10150	4.2
159.11740	4.9
161.13275	11.9
164.82329	1.4
167.03429	5.5
169.02629	91.4
169.10144	3.0
171.11702	2.6
173.13242	3.2
175.11176	1.8
175.14783	1.3
177.12753	2.2
183.11659	2.2
187.14894	1.7
199.14957	1.7
201.16423	2.4
209.13280	1.7
371.25726	3.3
389.34015	1.5
407.25772	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	407.3677
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03965	3.1
54.28406	1.8
55.05517	16.2
57.07070	7.7
63.62631	2.0
65.03938	3.2
67.05515	36.2
67.45020	1.9
69.07070	33.1
69.40478	2.0
69.65563	9.0
69.65980	4.5
71.08627	2.8
75.39799	1.7
79.05502	26.1
81.07066	88.4
83.08627	21.5
84.08972	2.0
91.05491	24.1
93.07053	55.8
95.04983	2.2
95.08618	100.0
97.09599	2.0
97.10197	9.9
105.07042	52.4
107.07873	3.8
107.08603	67.3
109.10168	71.1
111.11784	6.3
117.07048	10.4
119.08588	47.6
121.06507	2.4
121.10154	64.3
123.11727	25.6
123.18758	2.4
129.07036	5.2
131.08591	23.7
133.10144	34.2
135.11705	31.2
137.13286	8.0
143.08551	10.9
144.09341	3.8
145.10136	30.9
147.11702	37.2
149.13272	49.8
149.14365	3.6
151.07603	2.9
151.14822	4.1
157.10117	14.2
159.11702	28.6
161.13281	17.3
163.14819	17.6
169.10201	4.9
171.11722	7.3
173.09698	2.3
173.13281	16.8
175.14851	56.4
177.16409	10.4
181.10153	2.5
183.11760	7.8
185.13330	8.3
187.14830	19.0
189.16393	25.3
191.18051	7.0
195.11742	2.6
199.14857	6.9
201.09169	2.7
201.16403	30.5
203.17978	23.9
205.19554	35.5
209.13240	2.4
213.16383	4.7
215.18013	7.0
217.19588	8.5
219.21114	3.0
227.18060	6.5
229.19650	5.8
231.21222	3.8
241.19533	7.9
243.21115	6.4
253.19646	2.6
255.21204	7.2
257.22678	4.7
269.22733	5.0
271.24115	2.7
283.24231	4.9
296.82779	2.0
309.26108	2.1
311.27390	2.4
323.27393	2.8
345.89883	2.5
351.30560	3.6
364.83063	2.1
390.43964	2.3
407.25684	3.6
407.36810	96.6
408.37292	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.0
53.38104	3.1
55.01873	8.9
55.05520	34.7
57.03437	4.8
57.07074	14.6
60.56792	3.3
65.03936	5.4
67.05170	5.3
67.05511	73.3
69.03441	34.3
69.07071	38.8
70.95971	8.7
71.01369	3.4
71.04977	4.9
71.08638	9.1
79.05498	48.4
81.03424	31.0
81.07066	100.0
82.06603	4.5
83.04981	14.5
83.08643	17.7
85.02914	12.0
85.06552	8.2
85.10187	4.1
91.05486	56.9
93.07055	68.8
95.04969	20.4
95.08610	69.9
97.02905	7.8
97.06517	6.8
97.10165	6.5
98.84701	3.2
99.08128	4.2
99.56963	3.7
100.86699	2.9
105.07039	58.5
107.04963	12.9
107.08588	46.1
109.02897	7.9
109.06539	10.2
109.10161	28.4
111.04442	11.6
111.08072	7.0
111.08878	3.0
115.05470	4.2
117.07027	25.6
119.04953	2.8
119.08582	43.6
121.06525	13.7
121.10157	23.9
123.04451	10.3
123.08092	4.7
123.11723	14.6
125.09659	6.2
127.03896	4.5
128.06258	5.1
128.07106	4.3
129.05486	4.5
129.07002	13.3
131.08583	41.0
133.06491	4.8
133.10135	28.8
135.08060	10.4
135.11705	15.0
137.09625	4.6
137.13242	5.2
139.03940	4.8
141.07042	6.3
142.07791	4.0
143.08574	16.0
145.06482	8.0
145.10162	27.3
147.08064	10.3
147.11736	19.1
149.05986	3.5
149.09676	7.4
149.13278	14.3
151.11160	8.0
151.14862	3.4
155.08609	9.6
157.10103	15.8
159.08087	5.3
159.11719	22.0
161.09570	5.4
161.13310	21.7
163.11215	4.1
163.14836	10.9
169.10158	10.3
171.11682	9.0
173.09619	4.6
173.13342	11.1
175.07547	3.7
175.11185	5.2
175.14839	10.4
177.12753	7.2
181.10158	4.0
183.11784	5.7
185.09576	5.6
185.13300	12.8
187.11205	3.4
187.14861	8.0
189.09164	4.1
189.12764	3.7
189.16469	6.1
191.10722	3.7
191.14323	7.0
195.11650	5.3
199.14868	5.6
201.16382	7.7
203.14323	4.1
203.17926	7.4
209.13387	5.5
213.12761	3.4
215.10591	3.8
221.13356	5.1
223.13184	4.8
229.15891	4.0
243.13873	4.5
243.17528	3.9
261.22287	3.9
275.23740	11.9
279.23154	5.3
291.23282	6.3
303.23303	8.3
305.24716	7.3
315.23080	5.2
317.24878	6.4
321.24405	5.7
329.24649	7.9
331.26227	4.2
333.24298	7.8
343.26352	9.9
347.25787	9.3
353.24838	8.4
361.27402	6.1
371.25830	37.4
372.19913	3.5
389.27081	30.3
407.25229	81.0
407.37088	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	407.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
57.03439	4.8
57.07083	8.4
67.05507	4.0
69.07096	2.5
70.77206	1.0
70.77319	0.4
71.08639	4.6
79.05508	0.8
81.03459	0.6
81.07062	3.9
83.08633	2.0
85.10178	2.3
91.05498	0.5
93.07042	1.1
95.08616	5.6
97.10191	0.9
98.98450	0.8
105.07057	0.9
107.08588	0.6
109.10165	2.4
113.00028	99.9
119.08587	0.8
121.10152	0.5
123.11707	1.0
155.01036	0.7
161.13203	0.5
169.02629	100.0
212.82169	0.5
239.23766	0.5
399.41736	0.5
407.27814	0.7
428.54855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
57.03445	2.6
57.05839	0.5
61.02918	1.1
69.03439	5.0
69.07078	0.5
70.06593	1.3
71.04984	0.7
71.57804	0.5
73.02901	0.8
75.04440	0.7
76.83036	0.4
81.03419	0.8
84.08086	0.6
85.02938	0.5
98.97548	0.5
99.04446	1.0
114.09122	0.7
115.09451	0.6
118.06500	0.6
120.22098	0.5
120.76890	0.5
123.04390	0.8
127.03883	1.1
130.06517	1.9
132.08076	0.9
137.06024	0.6
147.04341	0.5
147.09172	2.1
157.07616	4.6
158.06061	0.7
159.09184	6.9
172.08675	1.5
174.10281	5.6
175.08682	2.5
184.08693	3.3
185.07120	5.6
185.09459	0.5
186.10254	1.4
187.08672	17.4
197.15343	0.4
212.08200	4.4
230.09262	19.3
230.11551	1.0
231.07648	2.1
245.04471	3.1
245.09026	0.7
252.12338	0.7
254.12909	0.9
256.07159	5.9
257.04300	0.8
273.09836	31.8
303.24002	0.5
318.10922	0.6
319.11804	0.7
321.14450	6.5
333.13672	0.6
347.12421	0.6
355.34598	0.5
364.15021	4.9
389.14194	0.6
390.13120	0.9
402.50137	0.5
407.08139	3.0
407.15564	100.0
408.15930	3.4
417.20071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2278
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01878	8.7
55.05500	17.7
57.03410	10.0
67.05495	13.3
69.03428	15.4
69.07064	12.2
69.91853	12.6
69.92249	16.2
71.04998	11.2
71.17712	6.9
72.08165	14.8
79.05483	10.3
81.07070	13.7
83.04980	26.3
84.04504	18.1
85.02921	55.6
85.06546	19.4
85.65110	5.8
91.05483	12.2
93.07050	23.5
95.04938	8.5
95.08627	48.3
97.02892	12.1
97.06496	11.5
97.56337	5.4
98.20801	6.0
99.04440	10.4
99.08120	11.2
101.06036	5.9
103.05441	8.7
105.03393	15.0
105.07033	13.6
106.06548	11.2
107.04959	13.4
107.08604	24.9
109.06537	6.6
109.10165	19.9
113.09655	23.2
115.05451	13.1
117.07096	7.1
119.08601	8.6
121.06487	7.3
121.10139	24.6
123.04472	14.1
123.08046	6.8
125.09633	11.1
127.03905	11.7
130.05000	6.1
135.04425	10.3
135.11731	7.8
136.12021	7.0
137.06027	15.1
137.09612	10.0
143.04935	24.4
147.04398	8.9
151.07500	6.9
153.12753	7.9
155.10686	14.3
163.06268	7.6
167.07054	21.2
175.07530	11.1
176.07091	7.2
178.08635	62.3
179.14317	24.4
181.04951	42.5
183.13805	14.4
197.15388	98.9
198.09052	7.1
199.07524	7.8
209.08043	8.2
209.15384	18.7
211.07500	17.6
215.16454	100.0
217.13379	9.1
227.16365	7.6
233.12973	11.1
243.11237	8.3
245.04482	43.6
245.17514	59.7
257.04507	8.3
297.08646	10.5
315.09763	7.1
328.97507	7.7
339.09674	9.8
362.17200	8.7
389.13049	13.4
390.16965	10.1
391.14120	7.5
407.07516	26.2
407.16956	45.8
408.17920	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	406.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.05516	25.1
56.05039	1.0
56.33069	0.6
56.70487	0.5
66.38403	0.5
67.04248	1.3
67.05509	2.6
69.03430	1.0
69.07070	0.6
70.16087	1.0
70.16489	1.8
74.02455	2.0
79.05492	1.8
80.05038	0.6
81.07072	2.7
82.06587	93.0
82.25568	0.6
83.06919	0.6
88.04006	1.4
91.05486	1.4
91.12627	0.5
93.07072	3.2
95.08622	2.2
98.21465	0.6
100.07629	16.1
105.07041	1.0
107.08600	0.8
109.10189	1.3
118.08715	0.5
119.08570	0.7
121.10136	1.0
126.24677	0.5
128.07091	100.0
131.08604	0.7
133.10165	1.2
146.08142	15.4
158.01762	0.5
174.19327	0.5
198.45184	0.5
239.55325	0.5
255.17828	0.6
266.22919	0.5
331.12610	0.6
406.29544	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	407.0952
Annotation	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.55797	1.9
56.37518	2.1
57.73709	1.8
61.02940	2.0
61.20524	2.0
61.81461	1.8
66.58399	1.9
66.83344	1.9
69.03438	3.1
69.93550	10.1
69.93865	2.3
80.13693	2.1
81.03423	2.8
81.04548	2.6
81.36931	2.2
84.08126	2.2
85.02914	7.5
92.07297	2.0
92.80270	1.8
97.02885	5.5
98.21481	3.8
101.74857	1.9
114.09166	6.7
116.07078	4.0
119.01954	2.8
127.03981	2.2
127.04950	1.9
130.08649	3.0
131.01895	2.4
138.01938	1.9
145.03488	3.0
160.09711	4.3
161.03018	3.0
161.10040	2.3
173.02998	4.6
185.06586	3.1
219.07103	2.3
245.04878	2.8
256.56003	2.1
260.06760	2.1
271.36829	2.0
272.59796	2.0
276.04556	2.4
281.25742	2.0
288.09827	2.0
361.17645	5.9
389.15564	7.6
407.10028	100.0
407.15408	43.0
408.10388	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	19.7
57.55779	1.7
64.95940	1.6
66.53330	2.2
67.05496	2.6
69.03445	3.9
71.17042	4.1
71.94937	1.8
73.20143	1.8
79.05485	3.1
81.03429	2.3
81.07049	3.3
83.04981	20.4
83.08634	20.0
85.02908	7.0
85.06582	1.6
87.85873	1.7
91.05443	2.0
93.07027	4.6
95.04948	5.2
95.08556	2.4
97.06537	4.0
98.39379	1.7
102.91687	1.8
105.07017	3.1
107.08584	8.9
109.06512	3.1
109.10155	12.1
111.08105	5.3
117.98379	1.7
120.94259	1.9
121.10184	5.2
123.11699	2.7
125.09651	6.7
133.10138	5.7
135.08054	9.7
139.11165	2.2
140.84050	1.9
149.09689	2.8
149.13246	3.9
151.11189	30.9
162.98679	2.0
167.06938	2.4
167.14333	30.1
191.14297	4.7
209.15384	100.0
272.08054	2.0
284.22290	1.9
335.18253	2.0
371.20541	4.4
431.10059	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82803	4.9
53.80754	4.7
55.05510	24.3
67.05505	7.8
69.03421	14.4
71.04990	5.7
71.56275	10.2
79.05490	8.8
79.52917	4.8
81.07062	10.1
83.04989	54.5
83.08624	16.6
85.02923	24.9
85.06553	7.0
91.05482	9.5
93.07039	18.1
95.04982	5.8
95.08633	15.1
97.02898	10.8
97.06573	6.4
97.10165	14.6
107.05030	6.6
107.08595	61.3
109.06504	10.8
109.10159	8.5
111.08095	44.0
113.05996	9.8
121.06459	6.4
121.10159	20.8
123.08017	6.3
125.09642	12.6
127.07567	21.7
133.10159	38.1
135.08037	5.9
135.11707	35.9
137.06007	9.4
139.11134	7.0
147.11711	7.8
149.13284	9.5
151.11217	16.8
153.09111	82.3
155.57674	4.9
173.13271	14.4
176.07085	15.2
191.14307	100.0
197.44217	4.6
198.60297	4.9
203.40411	4.9
209.15385	87.7
225.60573	5.2
245.04530	6.2
310.81409	5.3
406.12543	8.4
406.17050	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	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01868	1.0
55.05508	1.0
57.03436	1.8
61.02929	1.8
67.05495	1.1
68.05027	2.5
69.03426	8.1
69.73161	1.3
69.73559	4.0
70.06598	8.7
71.04993	1.3
72.08155	0.8
73.02920	0.8
79.05478	2.2
81.03398	3.1
81.05785	2.1
82.06590	0.7
83.04992	1.5
85.02911	17.2
85.06553	3.8
87.04468	1.0
88.03965	1.4
94.06583	4.4
96.08138	29.6
97.02904	5.9
98.21458	0.9
99.04441	1.4
100.07634	1.8
109.02840	2.1
111.04411	1.1
112.07612	10.8
114.09175	100.0
115.09511	0.9
123.04309	0.7
127.03911	4.0
140.07047	0.7
142.08641	22.5
145.04987	2.6
158.08206	4.3
159.11690	1.2
160.09706	64.6
161.10071	0.9
163.03810	0.8
219.97664	0.8
226.10759	1.0
244.11816	1.6
244.15550	1.6
262.12805	0.7
268.11862	3.5
285.97321	0.7
286.12909	5.7
304.13867	14.3
304.17090	0.8
322.14914	6.4
350.81253	0.7
370.17163	0.9
378.25818	0.8
388.19907	4.1
406.20779	64.9
407.15466	1.7
407.20956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2225
Annotation	Icacine
Peak:m/z	Relative Intensity
55.05518	1.1
58.96693	0.5
65.03948	0.6
67.05510	1.7
68.05019	1.0
69.07071	1.1
69.90191	1.1
69.90580	1.5
70.06599	16.8
71.04994	0.6
79.05508	3.5
81.07070	5.3
82.06582	4.6
82.07389	0.7
83.04977	0.6
84.08161	5.2
91.05491	2.9
93.07030	4.0
95.04976	0.6
95.08617	2.3
98.06068	0.7
100.07629	51.3
103.05486	0.7
105.07041	5.7
107.04981	0.8
107.08600	2.3
109.10160	0.8
112.23557	0.6
114.05540	2.3
116.07107	1.2
117.07061	1.3
119.08591	4.1
126.05566	1.0
128.07092	100.0
129.07318	1.0
131.08586	3.0
133.10222	1.2
137.06007	0.8
140.07101	1.2
143.08569	1.3
144.09363	0.7
145.10136	2.4
151.07521	0.5
152.66273	0.6
157.10124	1.1
159.11671	3.5
161.13275	1.5
167.07063	2.3
171.11676	0.5
173.13220	0.6
176.07108	0.7
179.07072	0.6
181.05049	0.9
185.13324	0.8
186.07658	1.1
187.14827	1.0
187.74170	0.5
232.13493	0.6
278.13889	0.7
281.87582	0.5
300.19702	2.0
302.21124	0.8
346.20145	9.7
360.21677	8.9
362.23618	0.7
401.31152	0.6
406.22275	47.1
407.22635	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.3
55.05504	2.2
56.05037	6.6
57.03444	5.3
58.99591	13.2
68.05035	1.1
69.07082	1.2
70.06591	2.6
70.71209	3.0
73.01124	1.4
74.00666	2.3
76.02238	22.9
76.04006	2.2
79.05495	3.9
80.05009	1.3
81.07066	21.3
83.06113	1.6
84.04512	28.0
85.01124	3.6
85.02905	1.5
86.00649	3.2
86.99079	6.1
87.02695	5.6
88.02232	3.0
89.35175	1.1
91.05483	1.8
95.04904	1.4
95.08604	5.1
96.08125	2.3
97.01122	1.2
97.06529	2.6
98.09712	11.0
99.05542	1.6
99.08093	5.2
102.05524	5.6
103.05770	1.1
104.58435	1.1
105.07076	2.7
110.09686	2.4
112.03973	4.3
113.04268	5.5
114.03748	1.8
114.42762	1.2
115.05773	3.2
116.01700	27.5
124.07614	1.7
129.06563	2.7
130.04999	8.1
130.06883	4.3
130.08688	1.5
132.27798	1.1
142.03220	3.8
144.01155	9.2
156.08443	21.1
156.10225	11.1
157.06847	8.8
162.02217	26.3
164.06992	1.9
174.09514	15.0
179.04886	12.0
210.11308	1.7
215.79616	1.0
216.06918	7.1
233.05888	3.1
244.09660	1.4
250.92702	1.6
259.11148	100.0
260.09421	2.7
285.12482	1.4
313.12238	4.5
331.13284	5.3
388.15414	1.8
406.17142	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	405.3729
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.01876	0.9
55.05287	0.9
55.05516	7.8
57.03448	1.3
57.07080	12.6
67.05516	3.7
69.07072	12.2
70.86443	1.8
71.08637	8.5
76.16179	0.8
79.05495	2.0
81.07060	3.9
83.01352	11.1
83.04977	1.3
83.08625	10.3
85.02892	1.0
85.10178	2.9
91.05497	1.2
93.07050	6.0
95.08620	5.0
97.06555	5.2
97.10188	5.8
107.08595	4.5
109.06523	1.7
109.10168	2.7
111.06945	1.0
111.08103	5.0
111.11754	1.7
112.99944	0.8
121.06548	1.2
121.10146	4.0
123.08077	3.3
123.11729	1.0
125.05998	6.0
125.09647	4.1
126.06768	1.1
127.07571	3.2
135.08121	0.8
135.11726	2.0
137.09647	2.3
139.07549	26.7
139.11185	3.1
149.09615	0.9
151.11203	6.0
153.09099	4.6
153.12781	2.3
159.11620	0.9
163.11255	0.9
165.12756	1.5
167.10680	7.4
167.14284	0.8
173.13277	0.9
177.12843	1.2
181.12259	10.2
191.14317	1.2
195.13832	8.6
209.15393	6.2
223.16940	5.2
237.18597	2.6
251.20058	1.8
263.27628	0.8
265.21674	2.2
265.50989	0.7
279.23270	3.2
293.24780	2.3
307.26566	1.0
321.27991	1.2
335.29379	1.8
349.30859	0.8
387.36426	2.3
405.37305	100.0
406.37750	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	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03957	5.7
55.01874	13.4
55.05517	31.2
57.03447	8.9
57.47805	2.5
65.03938	5.4
67.05510	64.0
69.03437	32.6
69.07073	26.1
69.10367	2.4
70.88659	5.1
71.01370	4.0
71.05012	8.0
73.02934	2.8
77.99226	2.7
79.05499	58.9
81.03425	28.2
81.07062	74.4
83.04987	16.3
83.08646	12.0
85.02922	10.8
85.06594	3.8
91.05487	62.6
91.06003	3.9
93.07046	60.2
95.04967	18.3
95.08614	51.4
97.02919	7.4
97.06560	5.9
97.10191	7.1
98.93348	2.7
99.04481	8.7
103.03976	3.2
103.05499	4.7
105.07037	68.8
107.05001	10.2
107.08597	38.6
107.09175	2.9
109.02928	4.3
109.06567	8.5
109.10157	21.8
111.04436	14.6
111.08108	3.3
115.05475	5.2
117.07036	32.4
119.08589	52.6
121.06557	11.3
121.10139	26.3
121.96133	2.7
122.95268	2.4
123.04496	3.0
123.08103	8.1
123.11770	8.0
123.31293	2.5
125.09664	3.8
127.03968	7.9
128.06259	6.6
129.05501	4.3
129.07014	27.7
129.07764	2.7
129.23747	3.0
130.07838	4.4
131.08574	53.7
132.84541	2.6
133.06528	11.5
133.10133	37.4
135.08092	9.4
135.11687	20.8
137.05988	3.1
137.09662	6.4
139.07538	2.5
139.11264	3.4
141.07077	4.7
142.07840	7.4
143.08569	23.4
145.06557	6.5
145.10123	39.2
147.08040	15.2
147.11690	28.0
149.09660	5.2
149.13312	10.7
151.07581	4.7
153.09247	2.9
155.08571	15.4
157.06555	3.4
157.10103	19.4
157.12425	2.9
159.08125	6.1
159.11700	36.0
161.09697	10.6
161.13274	18.1
163.07590	3.0
163.11313	4.3
163.14862	4.0
166.07912	2.7
167.07263	2.7
167.08635	4.3
169.10208	11.1
171.08145	3.7
171.10510	3.0
171.11696	17.1
173.09717	11.6
173.13257	23.2
175.07687	3.1
175.11304	7.2
175.14848	4.9
177.12891	3.0
181.10162	5.6
183.08150	2.9
183.11794	9.9
185.09720	7.3
185.13261	14.4
187.11246	3.1
187.14899	9.0
189.12895	7.2
189.16461	2.7
191.14388	5.2
195.11790	4.7
197.09650	3.6
197.13354	7.8
199.11298	6.5
199.14844	12.7
201.12852	7.1
201.16347	3.5
203.10797	3.0
205.12314	3.4
209.13504	4.7
211.11234	3.3
211.14905	4.4
213.12860	4.4
217.12283	2.9
217.16040	3.1
223.14999	3.1
225.16565	3.0
227.14449	4.2
239.14363	3.3
253.19708	3.2
255.21095	4.3
259.20596	5.3
259.76736	3.4
261.22293	3.5
271.20786	4.0
273.22321	12.1
277.21918	8.2
283.20938	3.7
285.22223	5.0
289.21786	10.9
291.23553	3.7
297.22363	3.2
301.21753	14.6
303.23389	9.7
313.21820	4.4
313.58182	2.8
315.23340	10.6
317.21304	3.3
319.22974	7.8
323.23618	5.7
327.23297	7.3
331.22842	6.2
341.24881	10.8
345.24475	9.8
351.23431	15.0
359.25977	6.1
364.23001	2.8
369.24237	51.3
369.28363	2.9
387.25336	53.8
405.26544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01859	7.4
55.05518	25.8
57.03431	6.4
57.07065	4.9
65.03929	5.2
65.16785	2.2
67.05167	3.9
67.05510	57.4
67.48695	2.5
68.23427	2.1
69.03435	21.3
69.07073	32.6
70.34792	7.4
71.05007	4.9
71.08651	2.7
74.96313	2.3
79.05503	48.3
81.03432	16.5
81.07064	85.0
83.04983	12.6
83.08615	10.0
85.02923	5.5
91.05487	74.8
93.07048	75.9
95.05000	14.9
95.08615	76.8
96.28340	3.0
97.02892	7.8
97.06535	7.6
97.10178	6.5
103.05495	3.9
105.07040	91.0
107.04952	7.0
107.08601	73.1
109.02878	3.1
109.06521	9.0
109.10165	47.4
111.04429	7.9
111.08112	4.7
115.05479	5.8
117.07017	27.1
119.08591	70.7
121.06486	7.7
121.10152	46.4
123.04476	2.6
123.08116	4.8
123.11723	19.9
127.03972	5.6
128.06239	4.1
129.07054	18.1
131.08578	52.5
133.06494	7.2
133.10149	66.1
135.04417	3.1
135.08087	5.7
135.11693	27.3
137.09589	3.7
137.13257	4.5
141.07010	6.7
142.07747	3.0
143.08559	29.9
144.09370	3.2
145.06465	5.1
145.10141	56.9
147.08011	5.9
147.11700	44.0
149.13277	24.4
151.07669	2.7
151.11176	3.4
155.08574	13.0
156.09428	2.9
157.06482	2.4
157.10149	29.3
159.08119	6.0
159.11700	51.8
161.09595	4.4
161.13277	26.8
163.07581	2.7
163.11218	2.8
163.14847	8.6
165.06888	4.2
167.07043	3.5
167.08496	3.7
169.10126	11.7
169.18974	2.8
171.11679	17.9
173.09633	4.8
173.13287	28.9
175.11188	5.1
175.14818	18.3
177.12689	2.3
177.16418	6.1
179.08682	2.7
181.10042	5.5
183.11694	10.8
185.09630	4.8
185.13292	15.6
186.46812	2.5
187.11221	3.5
187.14780	23.8
189.12732	3.1
189.16377	21.6
195.11710	7.8
197.13307	9.4
199.11169	4.0
199.14870	9.3
201.12730	5.1
201.16408	43.2
203.14383	2.6
203.17995	28.9
209.13202	7.4
211.14893	8.1
213.16437	11.6
215.14482	2.7
215.17999	19.3
217.19537	6.5
221.13376	3.5
225.16422	7.0
227.17967	8.8
229.19524	6.2
231.21094	2.7
239.17892	3.4
241.19519	10.7
243.17378	2.8
243.21085	7.5
253.19516	4.7
255.21162	7.0
259.20630	4.0
261.22232	3.3
267.21201	3.2
269.22604	4.7
273.22174	7.9
275.20175	3.0
277.21680	4.0
281.22699	3.0
283.24210	2.7
285.22147	2.5
289.21686	3.8
295.24207	4.2
301.21677	5.5
303.23340	3.3
315.23257	8.6
319.22818	3.1
321.25699	4.4
327.23224	5.1
331.22742	3.9
341.24680	6.5
345.24289	6.2
349.29004	4.1
351.23145	7.9
369.24210	28.7
387.25592	21.6
405.20633	3.8
405.26715	47.4
405.35217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01878	9.8
55.05517	24.1
57.03432	4.9
57.07070	9.7
57.53718	2.7
65.03960	3.8
66.38653	1.8
67.05511	65.3
69.03440	24.1
69.07077	24.5
69.43971	14.8
69.44378	3.8
71.04994	3.9
71.08627	3.6
79.05059	3.9
79.05499	44.7
81.03429	17.3
81.07061	78.7
83.04991	8.6
83.08630	15.1
85.02912	7.1
85.06539	3.9
91.05495	58.0
93.07053	90.5
95.04978	14.2
95.08615	78.5
97.02895	8.6
97.06528	5.6
97.10165	8.3
99.04478	4.6
103.05498	4.1
105.04532	4.1
105.07040	76.9
107.04967	6.2
107.08601	60.2
109.02921	6.3
109.06535	8.9
109.10172	42.1
111.04447	6.8
111.08106	14.1
115.05418	3.6
117.07028	25.9
119.08591	55.3
121.06504	5.9
121.10149	36.8
121.11011	2.7
122.09856	2.2
123.04433	4.5
123.08099	3.5
123.11724	21.3
124.22170	1.9
125.09612	3.5
127.03963	3.7
127.07481	3.0
128.06230	5.3
128.07117	2.9
129.07005	17.4
131.08569	51.0
133.06473	6.9
133.10138	46.6
135.08067	11.5
135.11699	24.2
137.09637	4.3
137.13261	6.2
139.07538	10.9
141.07001	7.3
142.07771	7.3
142.48674	2.7
143.08568	18.6
144.09404	3.1
145.06508	6.0
145.10126	42.6
147.08072	5.9
147.11696	45.6
149.09676	4.4
149.13283	19.3
151.07593	2.9
151.11165	5.4
153.09100	6.2
155.08530	11.7
156.09319	4.9
157.06483	4.8
157.10156	25.7
159.08080	6.1
159.11684	37.5
161.09648	3.4
161.13258	23.3
163.07501	3.8
163.11218	6.8
163.14851	11.4
167.08583	3.3
167.10701	4.9
169.10211	11.5
171.08029	3.9
171.11731	18.4
173.09633	6.1
173.13283	27.3
175.11185	5.7
175.14850	14.5
177.12753	3.1
177.16399	3.7
179.08524	2.6
181.10147	6.4
181.12250	4.1
183.08066	2.2
183.11700	13.8
185.09653	2.8
185.13280	13.5
187.11256	5.0
187.14810	17.4
189.12799	2.5
189.16411	13.6
193.10083	3.5
195.11720	4.8
195.13815	2.4
197.09648	3.6
197.13161	10.6
199.11218	4.3
199.14838	15.9
201.12801	5.2
201.16409	20.0
203.17973	8.1
205.12195	2.6
207.11754	2.5
209.13289	6.0
211.14847	6.9
213.12692	3.0
213.16429	9.7
215.17918	10.8
225.12743	3.1
225.16400	3.5
227.14343	3.7
227.18005	5.2
229.19548	4.7
231.13852	2.4
231.21210	2.3
237.16350	2.8
239.14372	2.8
239.17993	4.2
241.19646	5.5
243.14034	2.3
245.11571	2.1
245.18787	2.3
253.19580	5.3
255.20982	10.7
259.20673	2.5
263.00015	2.7
266.98026	3.0
267.20987	4.7
269.22748	2.5
273.22174	5.5
277.21756	3.0
283.20471	2.8
283.24423	2.9
285.22119	3.9
289.21579	2.8
291.23254	3.3
297.25702	3.1
301.21616	4.4
309.25934	2.6
315.23224	7.3
319.22577	4.7
321.25467	2.9
323.23645	4.3
323.27225	4.1
327.23160	7.3
331.22687	2.4
335.27448	3.2
341.24664	6.4
345.24152	6.6
349.28931	2.5
351.23227	9.9
369.24203	34.4
387.25394	28.3
387.30048	3.9
405.06290	5.3
405.21204	3.6
405.26743	55.6
405.34985	100.0
406.05606	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	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
52.36927	2.6
53.03938	9.3
55.01868	16.8
55.05517	31.4
57.03432	9.4
57.07081	4.5
65.03930	6.8
67.05504	68.3
69.03436	25.5
69.07066	29.2
69.90187	11.3
71.04985	7.4
73.02930	3.0
79.05494	64.0
81.03419	24.7
81.07057	75.6
83.04996	14.0
83.08607	12.9
85.02899	10.8
91.05481	71.1
93.06468	4.0
93.07044	66.3
95.04970	15.2
95.08611	52.6
97.02889	13.6
97.06536	9.5
97.10170	3.8
98.21516	3.6
99.04446	7.6
99.08100	2.4
105.06384	4.9
105.07036	72.2
107.04948	8.9
107.08601	45.6
109.02872	5.2
109.06540	14.2
109.10165	23.6
111.04468	16.8
111.08048	2.8
115.05447	5.1
116.06234	3.4
117.07019	37.7
119.08586	59.1
121.06519	10.4
121.10145	30.3
123.04448	4.8
123.08108	5.3
123.11706	8.1
125.09584	3.2
127.03936	5.5
128.06215	7.9
129.05502	5.2
129.06999	25.5
130.07730	3.6
131.04906	3.4
131.08565	49.1
133.06516	7.2
133.10129	38.0
135.08035	7.0
135.11696	23.7
137.09578	4.3
139.11278	2.5
141.07033	7.9
142.07797	8.6
143.08586	26.2
144.09378	2.7
145.06476	6.3
145.10129	41.7
147.08054	11.7
147.11676	27.8
149.09587	6.8
149.13249	9.5
151.07619	3.2
151.11217	3.1
154.07768	3.3
155.08568	10.8
157.06505	5.7
157.10121	24.3
159.08055	8.9
159.11722	34.4
161.09642	7.0
161.13272	21.4
163.11220	3.6
167.08609	4.8
169.10120	13.8
171.08061	4.2
171.11700	22.0
173.09648	5.5
173.13272	26.5
175.07532	3.0
175.11183	8.1
175.14815	8.4
177.12698	3.6
181.10078	4.9
183.11719	9.6
185.09695	6.3
185.13283	15.3
187.11203	6.6
187.14856	8.4
189.09222	2.9
189.12778	5.4
193.10054	3.1
195.11714	3.4
197.13271	7.1
199.11275	7.4
199.14818	10.6
201.12769	6.6
203.10754	2.8
203.14397	3.7
207.11858	2.9
207.13861	2.4
209.13373	5.0
209.15248	3.0
211.11125	3.4
211.14917	6.7
213.16481	4.8
215.14346	3.7
217.12270	2.5
217.15854	2.4
223.14786	2.9
225.12869	2.6
227.14313	4.1
229.15909	2.8
241.15901	4.0
241.19592	5.0
243.13797	3.3
253.15907	3.1
259.20621	4.2
260.79666	2.3
261.22064	2.4
271.20544	4.5
273.22147	8.4
275.20181	2.5
276.30127	2.6
277.21625	5.3
285.22083	5.5
289.21695	10.2
291.23471	3.4
299.23767	4.0
301.21649	10.3
303.23203	9.8
313.21744	6.9
315.23227	14.8
319.22623	6.5
323.23740	4.1
327.23254	8.1
331.22467	6.7
341.24609	11.6
345.24420	8.3
351.23328	16.5
359.25629	5.4
369.24240	46.3
370.24844	2.7
387.25345	40.7
387.29993	3.5
397.41830	2.8
405.26385	100.0
406.26227	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	405.2407
Annotation	Estradiol-17-phenylpropionate
Peak:m/z	Relative Intensity
53.03930	1.6
55.01873	1.5
55.05520	5.8
57.03422	2.2
57.07059	1.9
65.03913	1.2
66.22997	0.9
67.05508	11.2
69.03409	3.9
69.07076	7.1
70.15936	0.8
71.04986	1.6
71.56421	1.0
72.34850	1.0
79.05500	10.4
81.03448	4.7
81.03794	1.0
81.06657	1.2
81.07064	15.2
83.04961	2.4
83.08604	1.8
85.02935	1.0
91.05489	12.8
93.07057	14.1
95.04944	3.6
95.08617	10.5
97.02880	2.8
97.06499	1.8
97.10102	1.6
99.04448	2.1
105.07039	14.1
107.08599	7.8
109.06517	2.4
109.10150	5.2
111.04403	1.8
111.08121	1.4
117.07063	6.0
119.08590	13.0
119.09370	1.7
119.21125	0.9
120.79035	1.1
121.06483	1.4
121.10163	6.4
123.08006	2.0
123.11707	1.4
127.03854	1.2
128.06198	1.0
129.06973	4.2
131.08578	8.6
133.06494	2.3
133.10117	8.9
135.07999	2.0
135.11649	4.4
137.09636	1.2
139.07542	0.9
141.06888	1.2
143.08556	3.3
145.06474	1.4
145.10143	6.3
147.11713	6.4
149.02325	2.7
149.09593	1.0
149.13205	1.8
155.08495	1.5
157.10100	4.4
159.08041	1.5
159.11714	6.5
161.09592	2.2
161.13248	2.0
169.10133	3.1
171.11627	3.1
173.09641	1.9
173.13232	4.1
175.11240	5.2
175.14928	1.4
181.10071	1.0
183.11644	2.2
185.13243	2.4
187.11116	2.0
187.14740	2.1
189.12685	1.1
193.10065	1.0
195.11639	1.2
197.09531	1.2
199.14743	2.3
201.12816	1.3
217.15799	1.4
255.20880	1.1
271.20468	1.8
277.21649	1.4
287.23624	1.3
289.21414	1.3
301.21494	1.6
315.23038	2.8
327.23138	2.2
331.23215	1.1
341.24744	3.0
351.23126	2.3
369.24246	8.0
387.25607	6.0
394.17191	1.1
405.23853	100.0
406.24420	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	405.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05500	1.2
65.03949	2.6
67.05501	3.6
69.07079	5.3
71.04984	1.0
71.54955	2.2
76.61523	1.0
78.04715	2.2
79.05486	6.9
81.07043	4.5
83.04963	1.4
85.02942	1.1
86.37447	0.9
91.05473	7.4
93.07037	4.7
95.04974	9.3
95.08610	2.8
97.06543	1.8
103.05458	4.4
105.07034	8.8
106.04189	1.7
107.04962	29.2
107.08574	2.0
109.06522	1.5
109.10178	2.2
115.05457	2.7
117.07018	3.5
119.04937	2.4
119.08558	3.5
120.05750	1.1
121.06506	4.7
121.10195	1.9
122.03679	1.7
123.04455	11.5
124.05199	3.8
125.05947	1.2
128.06212	1.4
129.07018	2.7
129.22008	1.0
131.04947	2.4
131.08560	4.2
133.06509	1.6
133.10083	2.5
135.04454	1.3
135.08058	6.6
135.11745	1.2
137.05991	8.7
137.09579	1.1
137.39108	1.1
140.04684	2.5
140.69971	1.0
141.07024	2.2
143.08575	3.7
145.06415	1.3
145.10158	7.7
147.04431	3.6
147.08087	2.2
147.11758	1.3
149.06015	1.3
151.03906	2.4
151.07565	1.2
152.04669	2.2
153.05551	1.1
154.06198	1.2
155.07053	3.9
155.08554	2.5
157.06558	2.2
157.10168	2.3
158.07266	5.0
159.08075	2.2
159.11693	2.6
161.05965	1.2
161.09657	1.7
163.07550	6.9
163.11235	1.7
165.05487	1.3
166.06349	1.0
167.07054	100.0
168.07372	2.2
169.10101	1.3
171.06633	1.1
171.08049	1.2
171.11649	1.9
173.09634	10.2
175.07510	1.1
177.09109	1.1
179.07083	1.5
180.07854	2.3
181.04971	23.0
181.08575	11.8
183.06499	4.4
185.13289	1.1
186.06732	1.4
189.09181	2.2
191.10709	3.2
192.07761	1.4
193.08574	1.4
195.10188	12.9
201.09103	18.7
211.09763	1.2
219.10152	21.3
223.13277	2.9
233.08141	1.7
233.11694	10.3
251.12816	34.7
291.65878	1.1
355.15353	1.9
405.23941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.191
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
51.62635	0.3
53.03940	1.1
54.81832	0.4
55.01878	0.7
65.03922	0.4
67.05491	0.4
71.17461	0.6
77.03964	0.3
78.04716	4.4
79.05499	4.8
81.07070	0.6
81.83239	0.4
91.05488	2.7
93.07055	1.1
95.04988	2.0
101.36529	0.4
103.05482	5.8
105.04544	0.4
105.07040	7.2
106.04189	1.6
107.04967	7.5
107.08591	0.6
107.49458	0.3
109.02916	0.5
109.06541	0.9
111.08154	0.4
115.05469	3.1
117.07047	1.2
118.04185	0.4
119.04978	0.4
121.06573	1.6
121.09059	0.3
122.03659	0.6
123.04441	7.5
123.08051	0.9
124.05223	4.1
125.06016	0.4
128.06221	0.4
129.07007	0.5
131.04945	8.4
131.08554	0.4
132.05663	0.6
133.06505	6.9
134.03633	0.7
135.04391	0.5
135.08104	1.6
136.05272	0.4
137.05992	3.4
141.06993	0.9
143.04965	0.5
143.06050	0.7
144.05708	0.9
145.06477	2.2
147.04369	1.7
147.08087	0.6
149.05972	0.8
151.03923	2.0
151.07555	3.5
152.04689	2.1
153.05437	0.8
157.06447	0.5
158.07283	0.6
159.08076	1.1
159.11740	0.5
160.05219	0.6
161.05983	7.0
163.07559	15.8
165.09167	0.6
167.07054	100.0
168.07404	1.4
169.06436	0.4
172.05226	0.5
173.06003	1.2
173.09657	0.5
175.07559	1.5
177.09155	1.5
179.07068	3.0
180.07817	0.4
181.05016	0.8
181.08624	4.1
187.07564	2.3
189.09151	0.5
193.08621	20.0
194.09146	0.3
195.10196	0.7
201.09111	1.0
203.08635	0.6
205.08636	1.4
217.08649	0.9
219.10191	2.6
231.08072	0.4
231.13873	0.6
233.11726	1.4
237.11253	1.5
248.08359	0.6
249.14886	1.2
249.59811	0.4
263.10712	0.8
291.10208	1.4
295.13309	0.8
323.12704	2.3
341.29562	0.4
345.10553	0.4
355.15442	4.1
372.15500	0.4
387.18198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1909
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
53.03946	0.6
53.30902	0.3
54.81853	0.3
55.01869	0.5
55.96838	0.3
62.42234	0.3
67.05513	0.4
68.20380	0.3
69.23846	3.1
78.04710	4.6
79.05498	4.9
81.07030	0.7
91.05481	3.0
93.07046	0.9
94.04201	0.4
95.04951	1.2
96.05754	0.3
98.21472	0.7
103.05481	6.3
105.03445	0.5
105.04493	0.4
105.06392	0.5
105.07043	6.2
106.04181	2.5
107.04296	0.6
107.04965	7.1
109.02887	0.5
111.89992	0.3
115.05463	2.6
117.07027	1.6
118.04162	0.5
119.04953	0.6
121.06516	1.7
122.03650	0.9
123.04436	8.9
124.05232	3.8
125.05968	0.5
129.07021	0.8
131.04935	9.1
131.08566	0.9
132.05693	0.6
133.06503	7.2
134.03653	0.5
135.04420	0.6
135.08064	1.5
137.05989	4.5
141.06982	0.6
143.06050	0.4
144.05734	0.7
145.06525	2.4
147.04388	2.2
147.08128	0.4
149.06006	0.6
151.03894	1.9
151.07541	3.7
152.04678	2.8
153.05461	0.9
158.07320	0.9
159.08067	0.8
160.05167	0.7
161.06017	6.6
163.07549	15.5
167.07047	100.0
168.07376	1.7
173.06012	1.2
175.07475	1.9
177.09126	1.9
179.07053	2.3
181.05031	0.9
181.08600	4.2
187.07567	1.9
189.09113	0.5
192.07851	0.6
193.08617	19.0
195.10188	0.8
201.09149	1.0
205.08635	1.2
207.10188	0.8
217.08560	1.0
219.10121	2.1
220.08858	0.5
231.07994	0.4
233.07947	0.5
233.11772	1.3
237.11197	1.0
248.08136	0.5
259.07758	0.4
263.10764	0.7
291.10114	1.0
295.13330	1.0
317.57993	0.4
323.12750	2.3
355.15298	2.9
387.18307	0.7
405.15048	0.8
406.15298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1911
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
51.02373	0.2
53.03932	0.9
54.24089	0.2
55.01865	0.6
60.55848	0.2
65.03942	0.3
65.40388	0.2
66.04707	0.5
67.05482	0.3
69.07027	0.2
71.30252	0.5
77.03916	0.3
78.04712	4.9
79.05064	0.4
79.05490	4.6
80.44158	0.2
81.03407	0.4
81.07058	1.1
90.48543	0.3
91.05479	2.9
93.03403	0.3
93.07028	0.7
94.04191	0.2
95.04973	1.4
95.05480	0.2
96.05744	0.4
103.05482	6.8
105.03403	0.5
105.04508	0.5
105.07032	8.0
106.04171	2.0
107.04962	7.9
108.05708	0.5
109.06518	0.8
111.08091	0.3
115.05469	2.5
117.07043	1.3
118.04118	0.7
119.04932	0.8
119.08552	0.3
121.06516	2.0
122.03638	0.7
123.04433	9.4
123.08060	0.7
124.05220	3.5
125.05994	0.6
128.06233	0.6
129.06999	0.7
130.07832	0.3
131.04935	8.5
131.08556	1.0
132.05688	0.9
133.06490	6.6
134.03606	0.5
135.04449	0.4
135.08075	1.8
137.05980	3.4
141.07007	1.0
143.04913	0.5
143.06007	0.4
144.05716	0.5
145.06482	2.4
147.04401	2.1
147.08029	0.5
148.05174	0.3
149.05981	0.8
151.03915	1.8
151.07544	3.7
152.04684	3.1
153.05486	0.8
157.06476	0.4
158.07294	0.9
159.04436	0.3
159.08037	1.1
160.05232	0.6
161.05986	7.7
163.07547	14.3
164.07898	0.3
165.05482	0.2
165.09161	0.3
165.12729	0.4
166.06264	0.4
166.13084	0.3
167.07042	100.0
168.07359	1.2
169.06528	0.5
171.37611	0.3
172.05190	0.6
173.05962	1.2
173.09615	0.3
175.07555	2.3
177.05542	0.2
177.09137	2.0
178.06244	0.3
179.07036	2.8
181.08620	4.8
187.07571	1.8
189.09186	0.3
190.13060	0.3
191.06992	0.3
192.07849	0.8
193.08614	19.4
194.08986	0.5
195.10184	0.7
201.09142	1.1
202.07817	0.3
203.08582	0.6
205.08592	1.2
207.10112	0.5
217.08632	0.6
219.08221	0.5
219.10120	2.1
231.08032	1.0
233.11763	1.0
235.11092	0.4
237.11166	0.9
248.08266	0.3
249.09000	0.2
263.10623	1.1
265.08658	0.3
291.10236	1.1
295.09970	0.3
295.13123	1.1
317.26816	0.2
323.12805	2.3
355.15439	3.9
387.18063	0.8
405.19403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95913	0.9
67.05511	1.7
69.03418	1.5
69.27160	2.1
69.27563	8.5
79.05486	3.2
81.07068	1.3
83.04983	3.4
85.02909	3.9
91.05466	1.5
93.07066	2.1
95.08583	2.4
97.06523	3.0
103.05425	1.6
104.93210	1.0
105.07042	3.8
107.04949	3.1
107.08589	2.3
108.16022	1.0
109.06529	2.2
109.39180	1.2
116.55554	1.0
117.07024	1.6
121.06533	1.5
121.10168	5.8
123.04437	3.1
123.08076	100.0
124.05209	1.3
124.08439	1.6
131.04878	1.8
133.06490	2.4
133.10118	1.5
137.05969	1.6
147.04408	1.5
151.11182	5.9
153.05515	1.2
157.10205	1.2
161.06062	3.0
163.07512	4.0
163.11147	1.6
167.07059	21.1
167.10703	2.0
175.45726	1.1
177.43553	1.3
181.12259	7.2
189.12741	1.7
193.08609	4.1
201.80940	1.1
207.13892	5.0
213.38409	1.4
225.14819	12.0
293.56360	1.1
319.64102	1.2
404.14752	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.7
60.06324	3.1
61.54177	3.2
63.68890	4.3
63.80550	3.4
69.03428	5.7
69.68351	7.2
69.68752	24.0
70.06606	24.9
79.05481	7.9
81.07062	7.8
85.02899	25.4
91.05468	16.8
93.07031	10.8
95.08612	6.1
98.20774	7.2
105.07039	24.9
107.05006	4.1
107.08629	22.5
109.06493	8.8
109.10141	5.1
111.43518	3.5
114.09164	4.4
117.06979	4.4
119.08585	23.1
121.06482	6.7
121.10156	20.8
123.04417	15.5
123.08064	5.2
123.11715	17.1
124.07557	4.1
126.17709	3.7
131.08565	14.8
133.10159	5.5
135.08098	25.8
135.11661	4.6
136.07486	3.7
137.05966	9.7
143.01924	4.2
143.08549	9.5
145.10202	5.5
147.04399	4.3
147.08054	18.1
147.11676	19.1
149.05988	4.0
149.09616	19.6
156.09386	21.1
161.13211	8.0
162.48129	3.8
165.05385	4.4
165.12785	3.9
167.07005	6.5
171.11694	36.2
177.05464	10.9
177.16438	5.8
178.08681	8.0
189.12743	33.1
195.17479	4.7
207.13824	100.0
208.11305	7.2
221.08237	4.5
242.13800	4.3
252.12444	5.3
256.36133	3.5
274.28659	3.7
320.79742	3.8
386.15768	9.6
404.17398	7.0
405.17328	26.4
415.21780	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87175	4.4
53.03939	4.8
55.05505	6.3
55.42633	3.9
66.75624	4.6
67.05495	5.3
70.06582	6.4
70.62241	16.1
71.04982	5.7
72.08151	5.0
76.55536	4.6
79.05483	10.9
81.07042	7.3
85.02911	12.6
85.06558	9.9
91.05482	25.1
93.07027	10.0
95.08608	10.5
103.05502	6.9
105.07044	56.0
107.04931	6.3
107.08577	9.9
109.06510	21.6
109.10169	6.0
117.06997	7.7
119.04967	5.8
119.08601	61.7
121.06517	5.1
121.10149	15.6
123.04413	9.8
123.08082	11.4
123.11713	7.4
130.76733	4.5
131.08566	10.2
137.05969	20.7
137.09583	11.5
139.03889	5.4
145.10143	18.2
147.11688	76.7
149.09636	17.5
151.03966	7.9
151.07494	9.6
163.11176	4.6
167.07089	12.0
168.97205	5.0
178.08691	6.3
182.05319	6.2
187.95421	4.4
189.12753	59.5
193.08583	8.5
207.06616	5.7
207.13826	100.0
225.14935	10.2
252.12175	4.9
404.16797	6.9
404.21335	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32177	3.3
55.01860	3.5
55.05514	4.3
58.54699	3.4
62.66106	2.3
67.05521	7.2
67.23994	3.0
68.05020	2.9
68.30919	3.3
69.03435	11.7
70.06597	60.3
71.07970	5.6
72.04530	3.4
76.49686	3.2
79.05495	5.2
79.80768	2.9
81.07063	14.4
82.06616	4.9
83.05011	5.7
84.08131	3.1
85.02911	48.1
91.05457	6.8
93.07082	4.4
94.06578	4.3
95.08621	5.4
96.08142	6.3
97.02915	3.4
97.31073	2.8
105.07041	5.6
106.34734	3.2
107.04936	5.9
107.08620	3.8
109.10182	7.0
112.97678	3.1
114.05558	6.1
114.09174	49.9
119.04948	5.1
119.08614	10.1
121.10140	6.2
122.60687	3.1
123.04453	41.1
123.11713	56.9
124.07512	4.0
125.06015	4.4
130.12746	2.8
133.06488	4.2
137.06015	3.4
139.03917	9.0
145.10130	4.9
147.04407	10.4
147.08075	3.9
147.11685	9.0
149.05951	4.8
149.09590	3.7
151.03928	18.4
151.07494	4.3
153.05493	18.0
161.06018	6.2
163.03894	10.0
165.05501	4.9
167.07034	6.6
168.10732	3.6
172.91801	3.0
175.03896	4.1
175.07555	5.1
177.05444	21.7
178.08728	3.7
179.07089	12.8
189.05392	7.3
189.12788	11.6
191.07082	4.0
193.08629	7.6
203.07100	11.8
205.08618	6.7
206.08167	5.0
207.06577	6.3
207.13789	37.4
221.08144	6.9
224.03778	4.4
225.14908	6.9
234.11353	12.6
242.04694	4.8
252.08913	7.4
252.12320	94.7
253.12733	5.6
285.07651	8.0
368.15109	3.6
386.15994	23.5
404.17084	100.0
405.17108	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	404.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
56.05014	1.0
58.06592	2.3
61.15942	0.8
68.05047	1.2
70.06598	44.5
70.07915	0.9
70.80566	2.3
71.45261	1.0
77.83514	0.8
79.05492	1.3
81.07050	2.3
82.06580	1.6
83.04987	1.6
84.08149	2.6
85.13724	0.9
86.06090	1.0
91.05518	1.1
93.07040	1.3
94.06559	3.0
96.08137	5.1
100.07598	1.1
105.03417	1.1
106.48670	1.0
107.04969	2.1
109.02882	1.3
112.07620	1.2
114.09175	57.2
119.04959	3.4
121.06502	1.5
123.04436	36.5
129.06979	1.0
133.06511	1.8
135.04440	1.2
137.05991	1.6
138.66147	1.0
139.03914	2.5
143.04901	1.1
147.04419	9.0
149.05948	2.7
151.03886	12.0
151.07623	1.2
151.95068	1.0
153.05470	8.2
160.41391	0.9
161.05974	3.3
163.03932	8.1
165.05522	3.6
167.07060	4.1
175.07584	3.1
177.05475	7.3
178.08646	4.2
179.07001	6.3
187.07596	2.2
189.05603	1.3
191.07056	1.0
191.68230	1.0
193.08578	2.3
198.01967	1.2
203.07092	4.0
205.08617	3.1
206.08269	1.1
216.10199	2.1
217.08588	1.0
217.10861	1.1
221.08105	2.1
222.11203	1.1
234.11252	9.5
246.11247	3.3
252.12344	28.6
264.12411	3.0
285.07562	8.5
303.08731	1.4
309.11203	1.0
368.14841	2.8
386.15854	8.7
404.17059	100.0
405.17374	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	404.1705
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
54.85711	0.8
55.01877	2.2
58.06602	1.7
62.06082	2.6
68.05020	1.9
68.99783	1.1
70.06601	37.2
70.96792	1.3
70.97110	1.1
74.16299	0.9
76.02241	1.0
77.42136	0.9
79.05498	1.2
81.07058	1.5
82.06594	3.4
83.04987	1.2
84.08152	2.6
85.02889	2.1
86.06081	1.6
91.05485	1.7
93.07070	1.6
94.06593	5.5
94.58282	0.9
95.04980	1.7
96.08144	3.2
97.06558	1.7
100.07632	2.2
105.03402	0.9
105.07029	2.4
107.04972	2.6
109.02927	1.3
112.07637	2.6
114.09187	41.0
119.04949	1.1
121.06540	1.4
123.04440	26.7
125.02297	1.1
127.03900	1.2
133.06512	1.7
135.04446	1.2
135.08086	1.4
137.06006	1.9
139.03947	1.6
147.04411	6.2
148.46091	1.1
149.05998	1.6
151.03923	12.0
153.05487	15.7
161.06049	4.8
163.03912	7.9
163.07629	1.3
164.07112	1.1
165.05516	3.6
167.07045	2.8
173.06111	1.0
175.07562	5.6
176.92870	0.9
177.05487	10.5
178.08691	1.5
179.05029	1.2
179.05531	1.3
179.07039	9.6
187.07568	3.2
189.05579	1.1
191.07076	2.1
192.10268	1.5
193.08676	4.2
203.07097	8.4
205.08589	5.0
206.08240	2.6
215.07152	1.0
216.10233	2.4
218.11765	1.8
221.08186	3.0
228.10062	0.9
234.11293	10.7
242.10335	1.3
246.11359	3.3
252.12349	68.7
253.12653	1.6
264.12384	3.6
285.07657	6.5
303.08533	1.2
361.58090	1.0
368.14841	2.1
386.15970	5.7
404.17133	100.0
405.17749	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
56.05044	1.3
57.54164	1.4
58.06593	2.8
66.46344	1.2
67.05509	1.4
68.05024	1.6
68.99784	1.7
69.54970	9.8
69.97371	1.4
70.06598	41.3
79.05488	1.6
80.04974	1.5
81.07015	1.8
82.06584	3.4
83.04988	3.4
84.08133	3.8
86.06076	1.6
91.05476	2.4
93.07053	4.3
94.06564	6.5
95.04986	1.4
96.08146	6.7
98.21575	1.9
100.07646	1.7
105.07028	1.5
107.04954	4.3
109.02917	1.5
112.07601	2.2
114.09177	45.8
119.04930	1.9
120.96532	1.5
123.04442	30.6
129.06966	1.7
133.06505	2.6
135.04420	2.4
137.06032	3.4
139.03925	2.4
143.59721	1.5
147.04411	5.4
147.08000	1.6
149.05963	3.5
151.03926	17.7
153.05469	17.9
154.08980	1.4
156.33295	1.6
157.06506	1.3
161.05991	4.7
162.06496	1.7
163.03929	10.5
163.07523	2.1
165.05432	2.9
167.07083	3.1
173.06094	1.2
175.07578	4.6
177.05496	14.5
179.07034	13.7
187.07489	2.3
191.07053	2.4
193.04991	1.4
193.08606	5.8
203.07057	13.7
205.08653	5.9
206.08066	3.9
216.10283	2.7
221.08110	3.5
234.11266	16.1
246.11383	2.8
252.12338	100.0
253.12621	3.1
264.12424	5.7
275.68860	1.3
285.07596	6.4
368.14929	4.3
386.16037	8.9
404.17075	87.8
405.17496	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	404.1704
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
55.01873	1.5
58.06596	1.7
66.93037	0.9
67.05513	1.0
70.06596	31.5
71.23257	1.9
79.05513	1.6
81.07066	1.3
82.06597	3.6
83.04962	1.4
84.08152	2.6
86.06071	2.5
91.05501	1.2
93.07047	2.7
94.06573	5.4
95.04980	1.4
96.08134	4.0
100.07630	2.1
107.04976	2.6
112.07545	1.3
114.09177	33.4
119.04912	1.3
121.06543	2.3
123.04442	23.7
129.06984	1.2
130.39124	0.9
130.65373	0.9
133.06500	1.1
135.04405	1.2
137.05994	2.2
139.03908	2.2
147.04411	4.1
147.08049	1.9
149.05989	2.4
151.03937	12.7
151.07530	1.8
153.05499	14.2
161.06033	3.7
163.03908	6.4
165.05450	1.6
167.07069	2.7
170.49660	0.9
173.06035	1.1
175.07582	4.9
177.05481	8.6
179.07043	9.8
181.08621	1.0
187.07558	2.3
189.05463	1.3
191.07048	2.1
193.08640	4.0
193.60811	1.0
203.07071	9.3
205.08630	4.5
206.08192	2.9
206.11667	1.2
216.10234	2.1
221.08180	3.8
234.11270	14.3
236.08887	1.1
246.11395	1.9
252.12329	79.9
253.12715	2.5
264.12283	3.2
279.13129	1.0
285.07632	6.1
303.08737	1.4
350.13693	1.6
368.15002	2.2
386.15985	8.3
404.17075	100.0
405.17477	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	404.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
58.06600	2.2
67.05476	1.0
68.05018	2.1
68.99792	1.6
69.03441	1.1
69.99287	4.2
70.06595	34.4
72.86353	1.0
78.12893	1.0
79.05459	1.1
81.07044	2.0
82.06580	4.1
83.04981	1.7
84.08121	3.2
86.06073	2.6
91.05473	3.2
93.07030	3.2
94.06573	6.0
95.04966	1.9
96.08148	5.2
100.07611	2.6
103.57019	1.1
107.04982	3.5
109.06512	1.6
112.07610	1.5
114.09169	35.7
119.04973	1.9
123.04434	25.2
129.07010	1.3
131.04843	1.1
133.06511	1.5
135.04422	2.1
137.05991	2.5
139.03908	2.9
147.04431	3.6
147.08064	3.2
149.06006	2.9
151.03893	15.0
151.07516	2.4
153.05450	14.8
157.06525	1.1
161.05972	4.5
163.03909	6.7
163.07492	1.3
165.05490	2.5
167.07104	2.4
173.05952	1.3
175.07567	6.0
177.05473	14.1
177.09149	2.7
178.08749	1.8
179.07053	12.1
181.08607	1.2
183.04707	1.4
185.05972	1.2
187.07587	2.4
189.05513	1.8
190.06082	1.2
191.07077	2.4
192.10159	1.5
193.04976	1.9
193.08606	5.1
203.07045	9.8
205.08598	6.6
206.08139	4.1
216.10216	3.2
218.11794	1.2
221.08084	3.0
222.11401	1.4
228.10201	1.4
234.11287	13.9
240.59895	1.2
246.11266	1.1
252.12320	80.0
253.12544	1.5
255.41890	1.1
264.12314	3.7
285.07419	5.2
368.14694	2.2
386.15964	7.9
404.17053	100.0
405.17365	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	404.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05505	1.5
56.96561	1.0
57.03441	5.9
58.06602	1.4
61.02921	3.0
61.57991	0.7
65.03954	0.8
67.05502	1.5
69.03439	4.9
70.06599	14.6
70.22135	2.4
70.22478	0.8
70.37261	0.6
71.05001	1.2
71.06964	0.6
72.08170	1.1
73.02926	11.2
74.06096	1.0
76.02236	1.4
79.05509	0.8
79.10558	0.7
80.05019	1.0
81.03427	1.4
81.07064	1.8
82.06554	0.9
83.04996	1.2
84.08134	2.8
85.02914	8.9
86.06087	1.0
88.02239	1.0
88.03992	1.1
91.05479	2.0
92.05032	4.6
93.07049	2.8
94.06567	3.4
95.04973	1.1
96.08139	2.0
97.02894	6.0
97.06549	0.8
98.97600	1.4
100.07625	0.7
105.07048	2.7
107.04974	2.0
107.08573	0.7
108.08102	0.9
109.02876	1.3
109.06482	1.1
110.06055	100.0
112.04002	0.9
112.16599	0.7
114.09171	13.6
115.03967	2.4
117.07014	0.7
119.01907	1.7
119.04985	1.4
119.08620	1.9
121.06486	1.9
122.02741	1.9
123.04444	10.5
127.03918	2.9
128.06181	0.7
131.01981	0.8
131.08585	2.5
132.08084	1.3
133.04944	1.0
133.06526	1.2
133.10133	1.4
136.07558	3.4
137.06004	2.0
138.05582	1.0
139.03879	3.5
142.07813	1.1
143.01910	1.3
143.08548	1.2
145.03531	0.8
145.04979	2.0
145.10159	2.2
147.04433	2.8
147.08128	0.8
147.11722	1.4
149.06015	1.9
150.09157	2.3
151.03899	5.2
151.07584	1.1
152.05804	0.6
152.07037	1.5
153.05489	4.2
154.05022	3.7
155.01915	1.0
155.08597	0.9
157.06647	0.8
157.10167	2.2
159.11717	1.0
161.02991	1.2
161.06097	0.9
163.03938	3.6
164.07054	1.1
165.05553	1.3
167.07040	1.2
171.05063	0.8
173.05995	1.0
173.13319	1.3
175.07570	1.9
175.11211	2.0
177.05534	4.7
177.09114	0.7
178.08650	2.0
179.04961	0.8
179.07018	4.1
180.10146	0.7
182.08147	1.1
182.12883	0.7
183.11752	2.5
185.13284	2.5
187.07593	1.1
187.11082	1.2
193.08548	1.0
196.09766	3.5
200.09210	2.3
201.12799	2.0
203.07103	4.3
203.14377	1.4
205.08687	1.6
206.08195	1.6
216.10243	1.4
217.93492	0.8
219.01938	0.8
223.50343	0.7
224.09184	2.2
228.10350	1.0
229.12407	2.4
234.11279	5.8
237.15977	0.7
242.06641	0.9
242.10294	10.6
246.11177	1.3
247.13405	1.8
252.12343	28.4
264.12283	1.4
265.14374	1.5
272.11349	7.3
279.10629	1.4
281.97400	0.7
285.07635	2.9
292.38654	0.8
296.98349	0.7
297.11627	1.5
303.08798	0.8
315.13058	0.9
340.15991	0.8
340.21625	0.7
350.13797	1.1
368.15408	2.4
384.54181	0.7
386.16190	7.7
404.17068	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.07080	10.9
58.06598	1.6
58.07390	1.2
60.19173	0.9
65.74285	0.7
67.05494	2.5
68.05825	0.8
69.07051	3.0
70.06244	1.5
70.06594	16.0
71.08628	6.4
71.58223	1.1
72.08162	1.0
72.08950	1.0
78.81458	0.8
79.05499	2.3
81.07050	4.5
82.07381	0.9
83.08611	1.5
85.10178	3.2
88.07634	18.4
91.05477	1.5
93.07059	2.4
95.08604	4.2
96.08933	1.5
97.02911	4.1
99.04469	1.7
102.08566	1.0
102.09200	10.4
105.07032	3.4
107.08598	2.5
109.02854	1.3
109.10183	2.4
110.10491	1.4
117.07030	2.1
119.08576	2.5
121.10132	1.0
127.03902	2.0
131.08559	2.4
132.10217	1.4
133.10138	1.4
157.10127	1.7
159.11670	4.1
161.13251	2.3
163.14925	2.0
185.13304	0.9
187.11230	0.8
203.10739	1.6
203.54655	0.9
205.12241	1.1
223.43758	0.9
239.23784	2.4
240.24117	4.4
257.38788	0.9
296.33044	1.6
321.25702	1.1
340.35736	37.8
384.26178	1.0
384.38269	2.4
402.39429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.2
56.24408	2.7
63.19781	2.9
66.12000	2.6
67.05500	10.7
69.07067	5.8
69.87804	16.1
79.05498	10.0
81.07072	19.9
82.18162	2.6
83.04982	11.5
85.02910	3.9
91.05489	9.5
93.07056	16.7
95.08636	18.9
97.06543	11.2
97.10140	3.0
97.63531	2.9
101.06025	18.7
105.07014	14.9
107.08606	12.3
109.06522	5.1
109.10161	12.7
115.07560	5.6
119.08563	15.8
121.10171	11.4
123.11758	14.3
131.08582	10.6
133.10139	9.7
139.03867	6.4
141.09105	3.0
145.10156	13.5
147.11699	6.8
149.13257	5.9
151.11191	4.8
159.11671	9.2
161.13277	6.6
163.03886	3.5
175.14841	8.8
187.14841	10.1
193.15869	6.7
205.15857	8.2
207.50049	2.9
208.28760	3.0
211.16853	4.6
223.13516	3.8
223.16948	100.0
241.17963	30.7
246.31728	2.7
320.75333	3.1
403.13672	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	402.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	10.8
69.69820	19.4
69.70265	18.5
70.06602	8.3
79.05492	13.4
81.07075	29.5
84.92215	6.2
88.07613	15.1
89.57786	5.5
91.05482	7.3
93.07032	15.9
94.92152	5.1
95.08598	16.0
98.21436	12.1
105.07024	23.0
107.08588	22.1
114.05162	5.9
117.07034	13.8
119.08588	16.9
121.10137	13.0
131.08562	11.3
132.10162	14.9
133.10057	7.0
143.08530	6.3
144.17644	5.4
145.10078	12.6
150.11234	18.3
157.86070	6.3
159.11662	17.8
161.13281	7.2
163.14839	11.6
169.10115	6.0
205.12230	10.8
254.09120	6.0
367.26233	13.6
367.77234	6.3
384.25620	7.0
402.39474	100.0
417.67987	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26686	2.2
53.03936	9.9
55.01873	19.4
55.05513	14.7
57.03422	7.2
57.07079	79.6
67.05229	2.6
67.05509	27.8
69.03078	2.8
69.03431	39.7
69.07073	21.4
71.04984	10.0
71.08635	64.2
71.17503	4.6
73.02898	8.7
79.05493	3.7
81.03421	40.8
81.07056	48.0
83.08620	27.2
85.02921	10.9
85.10191	28.9
91.05467	8.4
92.05817	2.6
93.07050	3.6
95.08056	3.6
95.08612	50.6
97.02288	5.1
97.02895	84.4
97.03516	5.3
97.10172	13.4
99.04459	85.9
105.07011	9.6
107.08607	3.5
109.02889	40.6
109.10165	24.3
111.11699	5.5
119.08581	9.3
123.11753	11.6
125.13266	3.9
127.03927	100.0
131.08536	2.3
133.10149	3.0
137.13271	6.7
145.04977	12.4
145.10118	4.4
151.14786	2.8
159.11674	7.8
161.13235	6.1
162.13565	3.0
196.02948	2.2
221.22614	4.2
229.76563	2.3
239.23720	56.1
257.24814	3.8
300.56873	2.2
365.96304	2.6
366.24924	3.2
383.27805	10.0
420.15341	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	401.2689
Annotation	Aeginetin
Peak:m/z	Relative Intensity
55.05504	11.6
58.70937	3.5
63.42918	3.4
67.05508	35.2
69.07080	25.5
70.38567	14.5
71.04980	5.7
75.99622	3.4
79.05494	37.3
81.07063	74.2
83.04982	6.9
83.08615	8.6
91.05479	51.8
93.07053	56.1
95.04966	8.5
95.08604	46.7
97.06530	10.0
97.10165	6.2
105.07032	71.7
107.08604	44.2
109.06518	8.0
109.10155	11.9
109.70954	3.4
117.07041	33.6
119.07792	5.0
119.08582	54.2
121.06490	8.9
121.10155	42.2
123.08082	7.6
123.11674	9.1
125.05997	42.0
129.06987	15.3
131.08569	37.3
133.06537	6.4
133.10146	27.9
135.08055	6.7
135.11711	14.3
137.05984	6.9
139.07564	6.6
142.07794	13.7
143.08578	18.0
145.10129	35.2
147.08075	8.7
147.11685	34.4
149.06062	4.4
149.09622	4.5
149.13249	26.5
151.07512	8.1
152.97174	3.8
155.08522	9.8
157.10156	49.6
159.11703	54.7
161.13297	52.0
163.11220	7.5
163.14894	23.2
169.10164	10.2
171.11723	14.4
173.09651	8.8
173.13263	9.9
175.11191	41.4
175.14879	8.0
177.12727	16.8
181.10175	10.0
183.11711	11.7
185.13274	11.3
187.11269	4.7
187.14827	6.5
189.12752	13.6
193.12244	11.0
193.37831	4.4
195.11746	7.5
197.13286	10.5
199.14818	8.0
201.12772	5.3
203.10690	15.1
203.17944	4.4
205.12250	6.1
207.13824	28.7
209.13264	5.1
211.14804	6.0
213.16357	3.7
223.14854	7.3
227.18130	5.8
229.12120	4.4
229.19368	6.8
231.13826	5.0
239.17938	6.8
249.16464	5.2
251.18069	5.5
253.19427	5.9
255.17401	5.7
263.17935	8.8
293.22977	6.3
315.08289	3.9
319.24115	19.6
321.25653	6.5
337.25290	55.5
355.26263	42.4
365.24768	30.0
383.25745	21.6
401.26938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2692
Annotation	Aeginetin
Peak:m/z	Relative Intensity
53.03948	5.7
55.01875	5.3
55.05508	13.0
57.07057	2.8
61.44294	3.0
65.03937	8.2
67.05511	37.4
69.03413	5.2
69.07067	19.1
71.05004	3.7
71.42416	2.8
71.55144	4.9
79.05057	4.0
79.05491	35.1
79.75357	2.6
81.03413	4.9
81.07064	76.5
83.04972	7.4
83.08610	8.2
83.96954	2.4
85.06531	8.3
91.05482	56.3
93.07056	54.1
95.04977	14.8
95.08612	53.8
97.06519	7.0
97.10130	4.5
98.22171	2.7
99.04450	3.4
101.06052	3.6
103.05474	6.2
105.07038	89.9
107.04961	16.0
107.08604	49.1
109.06496	9.9
109.10168	16.6
111.04447	5.0
111.08054	5.3
115.05444	8.4
116.06216	4.9
117.07023	52.1
119.04948	5.7
119.08586	72.5
120.08907	4.2
121.06509	8.0
121.10150	34.3
123.04430	7.6
123.08063	5.7
123.11701	10.4
125.05947	5.0
125.09606	3.7
128.06215	6.5
129.07018	19.2
130.07787	3.3
131.04926	10.0
131.08583	40.5
133.06447	5.7
133.09224	4.2
133.10141	40.8
135.04401	6.8
135.08081	6.9
135.11717	39.3
137.05989	6.7
137.09622	6.5
137.13275	3.9
139.07510	3.7
141.06993	11.5
141.45721	2.6
142.07825	9.8
143.08563	25.6
144.05679	6.1
144.09268	5.9
145.06450	7.0
145.10147	32.7
147.04327	3.5
147.08044	4.3
147.11681	25.2
149.05966	11.1
149.09627	8.4
149.13277	18.2
151.07541	4.5
151.11211	6.8
153.05542	6.0
155.08543	11.1
156.05627	4.9
156.09172	3.6
157.06543	3.5
157.10126	22.0
159.08029	13.0
159.11702	100.0
160.12132	5.2
161.05971	6.2
161.09636	5.6
161.13268	84.9
163.03918	11.9
163.07559	7.2
163.11198	6.4
163.14796	9.5
163.65617	2.6
165.06955	3.8
165.12827	4.6
167.07043	40.0
169.10118	10.8
171.08105	3.1
171.11679	18.7
173.09651	5.5
173.13274	29.1
174.06679	3.9
175.07536	5.8
175.11185	11.3
175.14847	10.8
177.05501	8.4
177.09088	3.9
177.12769	32.9
179.08580	5.0
179.14299	11.1
181.04977	32.7
181.08617	3.0
181.10164	7.7
183.11705	12.6
185.09686	5.3
185.13271	11.9
187.07559	10.1
187.11209	13.5
187.14874	6.0
189.12727	9.4
191.03383	5.0
191.07045	3.8
191.08591	4.8
191.14435	4.0
193.10231	5.9
195.11710	4.3
195.13792	5.6
197.13300	13.7
199.11090	3.0
199.14783	9.1
201.12683	4.5
201.16444	5.0
203.10651	10.7
205.08859	5.3
205.12257	90.7
207.11757	6.2
207.13759	5.4
208.05296	4.4
209.13289	8.2
211.14789	9.2
213.16431	7.6
215.14308	4.8
217.08665	14.0
217.12268	7.4
218.07301	3.8
219.08075	9.0
219.10185	7.0
220.08733	3.4
221.08075	4.2
221.13380	5.8
223.14822	6.1
225.16388	8.7
227.18001	4.8
231.08087	5.7
231.10213	8.7
231.13776	7.7
236.08383	4.5
237.16267	5.0
239.17935	7.1
241.19337	3.0
243.13866	7.9
247.07523	7.7
247.09714	5.6
248.08347	8.5
249.16537	3.9
251.17987	12.2
261.09192	3.6
263.10565	5.1
263.18048	4.0
264.07645	4.1
269.08139	6.1
269.18967	5.2
276.07855	4.7
277.08691	3.7
279.10251	4.5
279.20990	4.4
291.10202	8.2
293.07990	6.9
307.09793	4.8
308.10309	3.2
309.07877	4.0
315.08536	14.4
319.09641	4.2
319.24194	27.6
321.25800	8.0
323.12994	4.7
325.10703	4.7
330.11105	16.5
331.11539	5.9
337.10907	4.3
337.21350	6.4
337.25250	88.2
339.12424	4.4
339.26852	6.7
343.11795	5.6
351.12167	10.9
355.26352	61.5
365.24774	29.1
368.12595	3.4
369.13345	6.5
373.27310	3.4
383.10922	2.9
383.15182	20.9
383.25912	32.4
392.18863	4.1
401.16498	19.5
401.20621	4.6
401.21741	3.8
401.26984	50.7
401.34311	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	401.2692
Annotation	Aeginetin
Peak:m/z	Relative Intensity
53.03962	4.0
55.05511	11.9
57.07082	6.0
64.45118	3.7
66.86929	3.4
67.05506	31.8
67.44066	3.2
68.56139	3.9
69.03452	5.2
69.07062	27.7
69.79854	21.3
71.04994	10.2
79.05515	35.5
80.78878	4.1
81.07063	80.5
83.04977	9.9
83.08612	10.6
85.06506	3.6
88.07649	6.2
91.05478	41.3
93.07044	58.4
95.05006	7.7
95.08607	44.0
97.06535	9.4
97.10167	8.3
99.04447	4.6
105.07039	67.0
107.08604	39.9
109.06550	6.1
109.10146	22.0
111.04404	6.7
111.08086	4.2
111.71020	3.6
117.07020	13.2
119.08581	49.8
121.06562	3.8
121.10147	30.8
121.19295	3.4
123.08058	6.4
123.11694	7.7
125.05998	68.3
128.06187	4.8
129.06999	13.0
131.08585	31.4
133.10144	25.8
135.08089	5.2
135.11716	21.0
137.06018	10.5
137.13252	8.4
138.06282	3.7
139.07550	7.5
141.07048	9.1
142.07814	10.6
143.08560	14.4
145.10155	30.0
147.11703	35.5
149.09607	4.6
149.13280	29.4
151.07491	4.2
151.11154	4.2
155.08578	10.9
157.10141	29.8
159.07988	5.4
159.11717	50.9
161.09534	7.8
161.13301	43.9
163.14845	34.3
167.08437	4.4
168.94504	3.6
169.10123	12.9
170.10939	3.6
171.11673	14.5
173.09618	8.2
173.13278	15.3
175.11250	19.5
175.14836	6.4
177.12785	12.7
179.14294	4.0
181.04976	5.7
181.10260	6.4
183.11685	10.5
185.09686	4.5
185.13258	10.4
187.11201	7.6
187.14821	8.1
189.12733	16.0
192.09471	4.6
193.12273	6.4
195.11702	10.5
197.13234	9.3
199.14848	7.2
201.12782	4.8
203.10896	4.5
205.12198	10.6
207.13795	37.0
209.13341	6.7
211.14752	3.7
219.13670	4.2
223.14888	6.9
227.10573	4.8
227.18021	5.2
229.15930	6.4
237.16396	4.8
241.15874	5.1
253.19548	5.7
255.17413	6.6
259.17001	4.7
267.17438	5.2
301.21271	4.0
303.23041	3.9
319.24222	23.2
321.25653	8.9
337.21384	6.6
337.25214	72.4
339.26794	12.9
347.23761	6.3
355.26346	100.0
357.28076	5.0
365.24808	31.6
373.27618	5.7
382.78378	4.6
383.25818	45.1
401.26965	89.0
401.38098	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	401.2689
Annotation	Aeginetin
Peak:m/z	Relative Intensity
55.05502	9.8
57.07057	6.6
67.05506	21.0
69.03437	2.9
69.07076	24.7
70.37312	5.5
71.08624	4.9
79.05492	21.8
81.03381	3.9
81.07066	47.4
81.07826	2.4
81.45319	2.8
83.04967	4.2
83.08639	6.0
91.05496	24.1
93.07053	30.2
95.04945	6.7
95.08614	31.7
97.06530	5.4
97.10174	5.0
105.06385	3.8
105.07042	42.8
107.04970	3.8
107.08602	23.6
109.06528	4.7
109.10149	13.5
111.04428	4.6
111.08106	2.9
115.05487	4.1
117.07014	10.3
119.04917	2.5
119.08583	30.0
121.06451	4.5
121.10149	15.9
123.08018	3.7
123.11713	5.0
125.05997	50.2
129.06998	10.7
131.08600	17.2
133.06482	2.8
133.10146	19.3
135.08078	6.4
135.11697	7.9
139.07527	4.7
141.07007	3.4
142.07774	9.7
143.08563	9.8
145.10136	24.5
147.08171	3.2
147.11696	25.9
149.09628	3.6
149.13284	17.3
149.91359	2.5
151.07565	2.7
155.08566	6.6
157.10130	37.1
159.11710	35.9
161.09650	9.6
161.13251	32.1
163.14862	18.4
167.08621	2.7
169.10081	3.4
171.11694	9.6
173.09639	6.5
173.13277	8.3
175.11206	33.4
175.14844	4.9
177.12762	10.6
183.11696	6.4
185.13292	6.4
187.11127	3.6
187.14839	3.8
189.12746	9.4
193.12285	6.4
195.11679	7.7
195.13814	2.3
197.13269	5.6
199.14830	4.7
205.12285	8.0
207.11832	5.4
207.13797	26.2
211.14948	3.4
213.12715	2.5
215.14233	2.9
223.14810	3.4
225.16483	3.0
227.14435	2.8
227.18007	5.6
229.12315	2.4
229.19528	2.7
235.14812	3.8
237.16273	3.2
249.16322	4.3
253.19478	2.8
255.17390	4.2
263.17993	3.3
277.19647	2.8
281.22733	2.9
299.19806	2.9
309.25851	5.6
319.24268	19.4
321.25754	3.8
337.25241	51.5
355.26346	45.1
365.24832	17.1
383.25726	19.7
401.26895	100.0
402.27020	4.4
424.55264	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	401.2688
Annotation	Aeginetin
Peak:m/z	Relative Intensity
55.01885	2.8
55.05507	6.2
61.27446	1.8
65.03957	2.2
67.05510	19.5
68.21612	1.8
69.03429	2.0
69.06784	1.7
69.07079	18.3
69.36649	1.8
70.75321	4.5
70.75657	2.2
71.16911	1.8
79.05501	27.9
81.07066	51.9
83.04979	4.5
83.08625	5.4
91.05493	27.8
93.07061	29.3
95.04974	6.7
95.08614	26.1
97.06549	5.3
97.10153	4.6
105.07039	42.1
107.04980	4.2
107.08604	26.8
109.06537	7.5
109.10164	12.6
111.04434	6.0
117.07019	11.9
119.08585	27.6
121.06523	3.0
121.10176	18.7
123.08103	3.4
123.11752	3.6
125.06010	45.9
129.07022	13.5
130.07808	2.5
131.08577	22.1
133.06555	2.0
133.10146	21.1
135.04471	2.9
135.08047	6.8
135.11674	10.8
137.06021	4.7
137.13243	2.8
139.07558	4.6
141.07027	3.3
142.07802	10.0
143.08574	13.0
145.10143	22.4
147.08051	5.3
147.11693	25.0
149.13271	18.9
151.07549	3.0
154.66795	1.9
155.08566	6.5
157.10144	35.4
159.08073	2.7
159.11710	36.4
161.09669	5.0
161.13284	33.4
163.14856	19.0
165.09167	2.2
167.07048	2.1
169.10175	5.8
171.11697	8.2
173.09641	5.3
173.13245	7.6
175.11186	33.9
175.14732	5.2
177.12770	12.7
179.10593	2.0
179.14287	2.3
181.10094	4.6
183.11696	9.8
185.09602	3.5
185.13408	4.1
187.11203	4.1
187.14900	4.0
189.12822	6.3
193.10472	2.3
193.12296	8.8
195.11685	5.4
197.13326	5.7
199.14819	6.4
201.16409	3.4
203.10712	2.4
205.12299	9.4
207.11845	3.7
207.13815	29.3
209.13312	4.8
211.14836	5.5
213.12846	2.0
213.16434	4.1
223.14786	5.0
225.16489	3.2
227.17822	2.5
237.16270	2.4
237.60266	2.0
239.18040	3.1
241.15968	2.6
243.20917	1.9
249.16367	2.7
251.17862	2.4
253.19705	5.3
259.16925	2.3
267.17639	2.5
285.18460	2.5
309.25870	4.4
319.24173	16.4
321.25781	4.8
325.21317	2.2
337.25293	46.9
337.29288	2.6
339.26974	4.7
355.26309	38.9
357.28091	2.5
365.24750	21.3
373.27606	3.0
383.25897	20.5
401.26910	100.0
402.27441	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
64.15853	1.4
70.85468	3.2
78.04713	1.7
79.05504	15.1
81.07046	4.2
85.02917	1.5
88.26870	1.5
91.05482	7.8
93.07048	2.6
95.04966	4.3
95.08601	3.0
103.05487	2.3
104.49777	1.4
105.07053	3.2
107.04964	29.0
107.08569	1.5
109.06501	1.9
110.03704	1.7
115.05446	3.7
116.06235	2.3
117.07017	3.2
123.04436	4.6
124.05220	7.6
125.06008	3.3
128.06244	2.7
129.07002	8.6
131.04945	1.7
131.08609	7.8
133.06491	1.8
135.04517	2.1
139.03931	1.6
141.07010	5.3
143.05086	2.0
144.05692	6.2
145.06482	4.5
147.97415	1.5
151.03871	2.9
152.04659	2.8
156.05728	12.3
157.06477	3.6
158.07275	3.0
159.08063	12.2
161.06039	2.6
163.03905	3.4
165.07014	1.9
167.07054	100.0
169.06421	2.3
170.07185	2.2
172.05234	3.2
173.05998	4.3
174.06499	1.4
178.07785	1.8
181.04947	4.7
181.06436	2.4
181.08681	1.7
182.07201	1.7
183.06569	2.4
184.05209	3.2
186.06764	4.6
187.07555	11.9
190.07712	2.8
191.07036	2.4
191.08638	2.8
193.06433	2.7
193.08542	2.3
195.06496	3.5
201.08954	2.0
202.06261	4.3
202.07808	3.9
203.08562	3.6
205.06711	2.4
205.08629	13.5
207.06525	4.2
207.08205	1.7
208.05220	21.2
208.08788	2.3
209.06068	1.8
210.06815	2.1
211.07620	2.1
217.08588	30.8
218.07224	4.6
219.08067	12.5
219.10178	5.7
220.08835	5.9
221.05986	6.1
224.04762	2.0
226.06229	2.8
229.08562	5.5
230.07269	1.9
231.08055	7.1
231.10197	3.8
232.08932	2.4
233.09604	4.6
234.06810	2.3
235.07603	3.4
235.11104	1.9
236.04648	7.4
236.08322	4.9
238.06200	2.2
239.07085	3.1
240.04207	2.8
245.09677	1.8
246.06694	2.5
247.07507	12.0
247.09709	18.1
248.08293	10.4
249.09283	2.1
251.10808	4.1
251.42863	1.6
254.05798	10.5
255.06390	3.0
256.07275	1.9
257.04370	2.1
259.07623	2.7
260.08286	2.3
261.09106	5.8
262.06134	2.8
262.09781	2.9
263.07098	5.3
263.10623	6.7
264.07852	7.7
265.08575	6.5
266.09048	1.9
267.06583	8.4
267.09610	1.5
268.03665	3.2
269.08112	24.5
271.09729	7.1
272.06711	3.5
275.07004	6.3
276.07724	6.9
277.08511	5.7
278.05875	2.0
279.07208	1.9
279.10132	10.2
281.08252	2.1
281.11414	2.0
282.05582	3.6
282.08871	16.4
285.07678	2.2
287.09332	2.6
290.09491	3.9
291.06934	2.6
291.10110	14.1
292.07217	5.2
293.08118	9.1
294.08838	2.8
295.09711	3.0
296.10443	2.9
297.07663	1.7
299.09140	4.4
300.06381	2.8
301.07056	2.3
304.07169	2.4
305.07980	2.9
307.09518	10.1
308.10339	5.7
309.07687	1.9
309.11136	3.0
310.08414	9.4
311.12683	3.7
315.08621	83.1
316.09167	3.3
318.09067	2.8
319.09668	8.8
321.07578	4.8
321.11230	1.8
322.08313	1.9
323.09204	2.7
323.12802	12.8
324.09842	2.0
325.10736	2.0
327.08722	1.9
328.09451	5.4
330.10971	89.4
331.11685	10.0
335.09219	2.5
336.09897	4.3
337.10776	8.1
339.12265	8.5
341.10449	2.1
343.11789	21.4
351.12262	26.4
352.12869	5.5
353.10199	6.9
354.10925	2.0
356.12497	3.5
368.12631	7.2
369.13580	7.9
371.14923	5.3
373.16528	1.7
383.14902	62.4
401.11359	2.2
401.15991	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	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03940	4.2
68.37514	2.5
71.04987	2.9
71.56574	3.5
79.05486	18.8
81.07047	8.9
83.05009	4.2
91.05497	8.9
95.04981	9.8
103.21089	3.0
105.07031	3.8
107.04969	43.6
107.08605	3.2
115.05437	3.4
116.06236	4.4
117.07050	6.7
121.06533	3.3
123.04448	9.3
124.05254	9.6
125.06002	4.3
128.06219	6.2
129.07016	5.0
131.08569	11.8
133.06544	3.3
138.03078	3.0
139.03966	3.2
141.07002	7.0
144.05669	5.8
145.06479	9.2
147.04443	5.0
151.03856	5.0
151.07663	2.9
153.05458	3.7
156.05733	15.1
157.06529	7.1
159.08099	11.4
163.03912	5.1
167.07062	100.0
169.06445	3.8
170.07256	5.7
172.05261	3.4
173.06058	6.3
174.06920	3.0
175.07536	3.3
177.05505	4.5
177.06976	3.3
178.65170	2.8
179.07146	4.3
179.08562	3.8
179.10805	3.3
181.04961	9.6
181.06372	3.0
181.08601	3.0
183.06522	5.2
184.05287	4.5
185.06123	2.9
187.07596	15.7
189.05493	3.8
190.07852	3.5
191.07001	6.5
191.08636	5.4
193.08641	4.1
202.06216	5.9
202.07866	5.1
203.08693	4.6
205.06670	6.2
205.08650	14.0
206.07291	3.4
207.06506	4.8
208.05226	21.5
208.08733	4.4
209.05994	3.2
209.09660	5.1
210.06786	4.1
211.07599	5.6
215.08813	3.5
217.08559	35.4
218.07323	7.3
219.08083	23.3
219.10201	15.0
220.08893	7.0
221.05959	10.9
221.09761	5.1
222.10194	3.3
227.06966	4.4
229.08575	7.5
231.08061	10.9
231.10222	10.8
232.08990	4.2
233.05980	6.8
233.09671	7.2
234.06851	8.2
235.07622	8.3
236.04649	5.7
236.08281	6.8
237.09109	5.8
238.06206	4.5
239.07054	5.5
240.04239	3.0
245.09711	3.9
246.06764	5.8
247.07523	26.9
247.09756	15.7
248.08289	24.0
249.05516	6.9
249.09070	5.5
250.06146	3.3
251.07033	4.7
251.10789	5.7
254.05679	8.2
256.07440	2.7
259.07593	6.3
260.08365	4.8
261.05414	3.2
261.09161	8.6
262.06265	4.2
262.09903	5.9
263.07080	7.4
263.10703	18.3
264.07742	15.8
265.08636	13.7
267.06586	6.3
268.03693	5.2
269.08145	23.3
271.09628	10.3
272.06854	3.3
275.07126	14.3
276.07831	10.9
277.08679	7.8
279.07181	3.8
279.10062	19.8
281.07977	4.1
282.05801	4.6
282.08829	21.4
290.09387	10.3
291.06934	4.9
291.10117	24.9
292.07382	10.3
293.08157	18.6
294.08908	5.4
296.10449	3.6
299.05627	3.7
299.08847	13.5
301.07172	5.1
304.07364	4.0
305.08102	6.4
306.08936	3.2
307.09604	21.5
308.10403	8.6
309.11255	4.6
310.08420	10.9
311.12863	6.3
313.10654	6.5
315.08640	68.1
319.09622	9.9
321.07645	7.9
321.11108	3.7
322.08411	5.3
323.09247	5.7
323.12778	20.7
325.10663	8.7
328.09344	7.0
330.11023	76.8
331.11710	12.2
336.09909	10.4
337.10757	17.6
339.12265	17.5
341.13824	3.9
343.11771	37.4
350.11377	3.5
351.12332	35.2
352.12955	5.2
353.10284	8.9
356.12439	3.9
358.14053	24.3
368.12592	12.2
369.13336	24.5
371.14832	9.9
373.16302	5.7
383.14874	90.4
401.16064	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.2
55.21801	4.8
59.60903	5.5
67.05496	17.7
69.07059	24.6
69.57574	36.5
70.06584	14.7
71.08622	7.1
75.02199	6.4
77.76028	5.0
79.05497	13.4
81.03431	7.3
81.07068	50.7
83.08614	7.5
87.04471	12.2
88.07629	28.5
91.05488	27.5
93.07071	26.3
95.08603	21.4
97.06524	8.2
102.09177	12.5
105.07023	51.2
107.08595	21.5
109.10178	13.1
111.04444	6.4
117.07063	9.7
119.08593	35.4
121.10155	15.8
126.09132	5.2
129.07008	7.7
131.08569	15.3
133.10139	20.3
134.03435	5.9
135.11700	13.9
143.08574	10.6
145.10130	16.0
146.10545	8.0
147.11702	11.7
155.01335	5.6
155.08513	9.2
157.10098	17.5
159.11760	28.9
161.13284	33.6
169.10104	6.0
171.11615	9.8
173.13316	6.9
181.10207	5.7
183.11665	6.4
193.45474	5.5
199.14771	7.3
205.12253	13.1
319.24210	11.0
338.34161	19.4
354.25247	8.6
365.24792	22.6
383.25684	8.9
400.25522	27.5
400.37994	100.0
401.27652	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	401.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	9.9
63.85453	2.1
67.84422	1.9
71.54262	2.5
71.95283	3.2
79.77390	1.8
90.72997	1.8
98.97592	100.0
99.93293	1.9
109.63013	2.0
111.09222	2.0
116.98626	77.0
119.01900	2.5
134.99657	40.8
140.00185	3.1
153.00783	5.0
158.01266	3.1
174.97652	2.0
177.00970	3.9
191.71655	1.9
219.02011	5.5
220.02171	3.6
232.96581	4.1
234.99980	4.0
240.98769	6.5
256.96683	5.8
258.99823	73.2
259.99820	2.9
261.00027	2.5
261.03076	8.5
262.03311	2.3
263.02939	4.2
274.97534	41.5
275.97949	2.7
276.97549	8.8
277.00812	85.6
278.01144	5.5
279.00946	2.6
282.99957	12.3
284.99854	9.6
292.98572	22.3
293.98947	2.6
294.98511	4.0
300.02664	4.3
301.01022	18.9
302.01309	2.5
303.00940	10.7
304.01117	2.8
359.03491	3.9
365.49860	2.4
378.08466	2.8
382.99994	7.5
396.09366	2.6
401.01062	26.8
402.01273	4.0
419.02493	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.1
57.07073	12.6
67.05503	14.4
68.19844	10.8
69.07066	19.2
70.06577	11.1
70.38529	41.3
79.05468	22.4
81.07043	41.2
81.71459	9.9
83.08581	11.3
87.04486	26.9
88.07620	31.2
91.05482	30.3
93.07047	28.9
95.08610	26.8
105.07014	39.8
107.08576	19.0
118.07364	12.0
119.08575	27.3
122.58504	12.8
131.08546	26.0
133.10130	17.8
145.10086	25.4
157.10112	18.5
159.11685	47.7
161.13246	19.6
205.12338	11.7
336.23944	17.6
338.34143	19.9
354.25162	12.9
365.24484	20.2
382.24734	19.3
400.26093	19.7
400.37891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.7
57.07071	22.1
67.05515	24.4
69.07069	27.6
69.87653	32.2
69.88073	37.1
71.04988	12.8
79.05495	52.2
80.63557	10.8
81.07059	61.7
83.04987	11.3
83.08607	19.0
86.82719	11.2
87.04472	14.2
88.07630	23.2
88.25830	10.7
91.05475	42.3
93.07061	77.7
95.08594	32.3
105.07030	66.0
106.70029	11.1
106.82142	10.6
107.08586	51.6
109.10172	24.8
117.07041	27.9
119.08604	65.2
121.10128	15.7
125.06001	16.8
131.08527	23.5
133.10133	44.0
135.11676	76.0
137.70337	11.1
138.57135	11.1
142.07813	24.7
143.08548	29.1
145.10115	25.1
147.11700	15.4
155.08594	22.2
157.10153	100.0
159.11746	54.5
161.13275	52.9
167.08585	22.6
168.09349	40.3
169.10181	19.8
181.10146	35.0
183.11755	67.9
185.13295	26.0
193.10110	23.7
193.24562	11.9
196.08800	15.9
201.09180	12.7
211.11227	71.7
229.12270	43.3
253.19585	16.9
267.16971	11.2
311.29373	43.8
337.25085	24.5
338.34161	34.8
354.25156	12.0
365.24789	24.6
383.25769	20.9
398.04468	11.7
400.25436	17.9
400.37790	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	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26133	2.5
53.03936	2.9
54.03125	2.2
55.01878	4.2
57.03439	34.0
58.66511	2.5
61.02916	11.6
64.99071	2.8
69.03433	31.2
69.89494	12.6
70.06596	72.6
71.01341	3.4
73.02920	60.0
79.05470	2.9
81.03413	6.2
85.02908	100.0
87.04455	4.9
91.03954	3.7
91.05431	2.7
97.02893	48.8
98.21462	4.2
99.04458	3.8
109.02896	6.2
115.03927	34.7
121.06480	3.1
127.03924	30.1
133.04967	8.6
137.05957	8.7
139.51852	2.7
145.03903	4.6
145.04964	54.9
147.04431	2.8
149.05992	4.4
150.07579	5.6
161.80817	2.4
162.05530	7.3
163.06018	26.2
169.57581	2.5
173.44603	2.5
177.05478	41.4
188.37480	2.4
190.05080	12.2
204.77199	2.8
210.31940	3.0
221.15215	2.6
234.11275	6.9
241.06981	2.8
295.09921	4.8
310.13501	2.4
343.11832	7.2
382.13428	2.8
393.75360	2.3
400.13007	3.4
400.17950	25.2
401.16876	3.3
421.01321	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78597	2.7
55.05500	3.3
57.03426	8.3
59.19312	2.3
60.44296	2.6
60.55797	2.4
61.02926	3.8
67.55428	2.3
69.03432	7.6
70.06587	8.1
70.32790	5.5
70.33186	5.5
71.04996	69.4
72.08152	4.7
75.04482	5.9
81.03404	3.7
81.40700	2.5
83.04988	8.8
84.08153	3.1
85.02905	100.0
85.50205	2.4
86.09703	4.1
87.04499	2.6
97.02897	5.2
98.21350	4.4
99.04460	3.9
103.26715	2.5
110.07198	3.8
110.46877	2.4
111.04437	7.4
127.03908	5.6
129.05489	40.9
130.08644	2.8
131.04950	4.3
131.08620	2.8
145.02908	3.4
145.04950	10.6
147.06506	17.2
163.06062	2.9
164.09261	4.3
177.05548	12.7
197.09602	3.0
207.53131	2.8
223.20306	2.6
238.10794	2.5
239.11823	25.0
338.09470	2.8
382.14059	3.1
400.14584	8.8
401.17166	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03439	28.9
61.02929	13.2
69.03075	2.3
69.03432	29.3
69.63813	9.3
71.01332	2.5
71.04991	3.1
73.02921	57.8
81.03407	4.8
85.02907	100.0
87.04471	3.8
91.03948	4.7
95.06120	1.5
96.80708	1.3
97.02898	48.0
99.04436	1.9
103.03938	2.3
104.24930	1.4
109.02872	8.3
110.07178	3.8
115.03938	30.2
127.03915	27.2
133.04976	11.5
145.04962	54.0
150.07573	3.0
158.40038	1.3
162.05527	17.0
163.06033	26.7
190.04990	21.2
223.05972	3.4
241.07080	5.3
251.14941	3.9
259.08096	3.4
295.10251	2.8
322.20743	1.6
368.21701	3.7
382.12961	3.5
400.13934	6.6
400.24753	2.8
421.20123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05523	2.0
57.03441	10.0
60.89182	1.2
61.02918	1.9
63.49515	1.5
69.03430	4.2
70.06592	5.0
70.82175	1.6
70.82504	2.5
71.05000	63.4
73.02946	3.1
75.04483	2.6
81.03410	3.0
83.04993	8.6
85.02914	100.0
86.03214	2.1
87.04491	2.1
97.02893	5.0
99.04472	1.4
100.30235	1.5
103.05476	2.0
104.05782	1.8
107.05025	1.7
109.02873	2.8
111.04472	7.3
120.99834	1.3
127.03914	5.2
129.05496	39.4
131.04910	5.0
132.05276	2.8
145.02866	2.2
145.04958	7.9
147.06534	22.3
163.06064	2.8
163.07544	2.7
164.09189	3.4
177.05475	7.6
181.04997	4.0
238.10760	2.8
239.05713	1.7
255.08519	2.0
273.09723	1.9
291.10736	1.6
309.11679	1.6
311.08377	1.9
339.07272	2.2
354.09540	3.9
380.46817	1.6
382.09155	3.4
400.14038	3.7
401.17941	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	400.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03439	1.4
61.02908	0.2
69.03433	3.0
70.06566	0.2
70.42979	0.2
70.80347	0.4
71.01360	0.6
71.04992	0.2
73.02914	0.8
81.03409	0.4
85.02906	1.9
87.04473	0.2
89.06020	0.5
90.15649	0.2
90.98023	0.2
94.04051	0.7
97.02882	2.3
99.04434	0.3
109.02867	0.2
115.03928	1.2
119.03566	1.2
129.24365	0.2
133.04973	0.9
136.06190	100.0
137.04587	0.7
137.06528	0.8
139.03946	0.2
141.66039	0.2
142.67746	0.2
145.04990	0.3
173.10197	0.2
268.10416	8.3
268.13281	0.5
269.10547	0.3
274.03604	0.2
400.14676	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.3
57.03430	13.6
59.05005	1.6
61.02682	1.7
61.02933	16.3
69.03433	35.5
71.01357	4.0
71.40659	3.2
72.28919	1.7
73.02924	76.6
81.03397	5.6
81.44568	1.6
85.02913	100.0
87.04455	5.6
91.03953	7.0
91.05453	1.9
97.02901	57.8
99.04475	4.0
103.03970	3.7
107.04944	2.3
109.02857	9.3
113.36936	1.9
115.03940	27.5
127.03926	33.2
133.04977	35.9
135.44104	1.9
145.04974	58.7
150.07657	2.0
163.06035	27.5
195.15483	1.6
199.06091	1.8
200.69168	1.4
223.06015	6.0
241.07112	5.9
251.14897	5.0
259.08130	7.0
277.09140	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	399.2532
Annotation	Jaspolide F
Peak:m/z	Relative Intensity
53.03941	3.4
55.05503	12.7
67.05503	26.2
67.65388	1.9
69.03400	2.2
69.07077	27.1
69.49317	12.0
69.49735	4.5
69.74601	2.1
71.05007	2.7
71.64978	2.1
79.05494	24.3
81.07066	48.5
83.04987	6.7
83.08611	5.9
91.05484	32.6
93.07047	38.7
95.04971	8.5
95.08615	33.6
97.06519	8.0
97.10187	5.1
98.20751	4.0
105.07039	46.7
106.07350	2.2
107.04900	4.1
107.08597	26.8
109.06537	10.3
109.10147	15.2
111.04449	7.1
111.08065	2.9
115.05453	2.6
117.06997	17.1
119.07803	3.4
119.08597	40.8
121.06504	5.3
121.10158	19.1
123.08089	5.4
123.11681	6.2
125.06006	29.2
128.06172	3.1
129.07007	9.3
131.08562	19.7
133.06512	2.8
133.10120	19.4
135.04424	4.2
135.08086	12.7
135.11670	9.3
137.05988	6.7
137.09540	3.2
137.13293	2.5
139.07538	4.5
142.07799	6.2
143.08562	13.7
145.10132	41.2
147.08044	7.1
147.11699	21.4
149.05997	2.9
149.09625	4.1
149.13255	12.0
151.07532	5.8
151.11189	4.9
154.07779	4.4
155.08542	14.7
156.09398	4.8
157.10147	24.1
159.08066	5.4
159.11714	24.8
160.08791	2.6
161.09653	6.6
161.13255	25.9
163.11220	9.1
163.14827	12.5
165.07024	3.2
167.08559	3.8
169.10095	13.1
171.11664	10.8
173.09607	19.4
173.13226	7.1
175.11191	19.3
177.12737	3.5
179.08496	3.3
179.14259	2.3
181.10092	9.6
183.11717	10.0
185.09732	2.7
185.13269	6.8
187.11232	4.2
187.14798	6.0
189.12801	8.2
191.10718	11.0
193.10133	6.3
193.12228	5.8
195.11685	5.3
195.47476	2.5
197.13272	9.8
199.14813	3.9
201.16470	3.4
203.70648	2.2
205.12318	10.0
207.11934	3.7
207.13762	11.8
209.13274	7.6
211.11258	3.1
211.14935	5.9
213.16403	3.5
217.12407	2.8
221.13335	2.3
223.14809	3.1
225.16423	3.1
227.14397	2.5
237.16336	3.5
239.14183	2.8
239.17989	4.6
247.14923	3.6
249.16309	3.7
253.15973	3.0
253.19472	3.8
257.15317	2.4
261.16446	2.5
267.17404	4.3
269.18964	2.4
271.16885	3.6
279.21362	2.8
283.16998	3.4
297.18640	4.7
307.24188	4.6
309.25751	2.7
317.17709	3.4
317.22662	8.6
325.25201	7.3
335.23749	22.4
337.25223	3.5
351.23398	3.4
353.24738	41.6
363.23065	6.2
371.25739	4.5
381.24307	19.7
399.25308	100.0
400.25507	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	399.2534
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
53.17283	3.0
55.05499	11.3
65.03890	2.5
67.05507	23.1
69.07077	14.3
70.08867	10.9
79.05496	29.3
81.07064	45.5
83.04985	5.7
83.08629	4.0
91.05483	46.1
93.07047	42.9
93.22475	2.5
94.95203	2.7
95.04973	10.3
95.08618	37.1
95.44187	2.6
97.06540	5.8
103.05492	4.4
105.06380	4.9
105.07041	60.8
107.04966	9.6
107.08599	36.1
109.06544	8.6
109.10178	10.9
111.04446	6.2
115.05481	4.1
117.07024	41.4
119.08590	58.0
121.06520	6.7
121.10165	18.3
123.08057	6.1
123.11742	6.9
125.05956	6.8
127.95251	2.9
128.06262	6.3
129.07010	16.3
130.07787	5.3
131.04945	8.5
131.08560	39.0
133.06503	4.1
133.10136	38.9
135.04475	4.2
135.08089	10.2
135.11696	14.5
137.05968	4.9
137.09627	3.1
139.07629	2.9
141.05939	2.7
141.06981	5.8
142.07745	14.3
143.08582	17.7
144.09351	9.0
145.10132	40.2
147.08113	3.2
147.11682	33.2
149.05983	6.4
149.09624	4.7
149.13292	14.0
151.07565	3.5
155.08588	11.5
156.09419	6.0
157.10126	43.0
159.08064	3.7
159.11696	72.2
160.08879	2.6
161.09657	6.9
161.13275	31.4
163.07562	7.8
163.11177	4.9
167.08510	3.2
168.09305	3.4
169.10194	12.6
171.11687	13.6
173.09648	4.8
173.13284	26.4
175.07547	3.2
175.11195	26.4
175.14809	23.0
177.12733	15.5
179.08612	3.1
180.09401	3.0
181.10196	7.6
183.11684	15.0
185.09723	3.8
185.13264	7.9
187.11226	10.6
187.14876	6.8
189.09129	3.0
189.12854	3.3
191.10814	3.1
191.14378	2.7
193.10196	4.1
193.12209	6.2
194.11017	2.7
195.11768	8.2
197.09521	3.1
197.13268	9.5
199.14911	4.2
201.12807	6.1
201.16548	3.3
203.10767	7.6
205.10313	2.8
205.12239	49.7
207.11752	5.0
207.13802	3.0
209.13292	7.9
211.14946	7.2
213.12726	6.5
213.16399	5.6
215.14211	4.1
217.12274	3.1
221.13306	4.4
223.14865	6.4
225.16449	6.4
235.14816	4.4
249.16370	3.2
251.18076	4.1
261.08994	3.1
277.19662	4.3
291.20981	3.2
293.22534	2.9
307.24136	5.7
317.22589	12.7
319.24426	4.6
335.23734	34.9
353.24756	49.8
355.26398	6.8
363.23105	13.4
371.25964	7.6
381.24368	23.7
399.14420	5.8
399.25388	100.0
400.25821	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	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.9
55.01871	20.9
55.05503	39.8
55.24909	9.4
57.03428	19.3
58.13896	10.2
61.02927	12.7
67.05517	50.1
69.03432	54.5
69.07076	23.2
69.63184	39.2
69.63602	29.7
71.04997	19.8
79.05506	67.4
81.03408	29.4
81.07061	100.0
83.04987	19.6
85.02912	62.1
86.06107	12.0
91.05480	60.7
93.07058	62.5
95.04967	59.9
95.08616	82.7
97.02887	32.3
97.06528	26.2
101.06051	12.0
103.03945	14.8
103.81962	8.5
105.07050	78.2
107.04955	38.9
107.08593	51.7
109.02870	18.9
109.06520	32.1
109.10138	43.3
109.10821	11.7
111.04456	15.2
111.08071	12.6
115.05530	12.6
117.07014	36.9
119.08590	58.7
121.06517	15.8
121.10173	48.1
123.04409	22.2
123.08076	22.7
123.11752	12.0
127.03907	25.2
129.07002	41.3
131.08551	57.1
133.06503	15.9
133.10167	59.3
135.08087	22.6
135.11702	25.4
137.05991	28.0
137.09615	28.2
139.03915	14.6
143.08583	40.6
145.06476	18.1
145.10123	67.1
147.08072	11.4
147.11688	22.3
149.09737	25.4
151.07527	15.9
155.08487	10.4
157.10089	43.7
159.11682	58.9
161.09592	20.8
161.13261	43.8
163.11182	18.2
167.07092	49.4
169.10237	17.3
171.11699	31.1
173.13283	18.6
175.14821	21.0
181.04858	15.8
183.11684	27.3
185.13231	22.2
187.11131	17.4
187.14798	23.1
188.32014	13.2
191.06999	16.1
195.06528	14.4
199.14857	32.9
201.12738	16.4
201.16380	47.3
203.14285	16.5
205.12267	11.1
213.16405	18.7
215.14331	24.9
217.08618	12.7
217.15814	24.6
219.08009	9.9
219.17442	45.3
225.16515	21.8
231.17456	16.6
237.14844	12.7
237.18513	24.5
243.17395	30.2
261.18527	18.3
277.08429	14.0
285.18442	17.9
307.09604	14.2
327.19733	21.9
337.10562	12.3
339.12390	17.1
345.20563	15.5
363.21652	64.5
381.22690	64.8
399.14401	68.7
399.19830	25.0
399.25052	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70351	19.9
55.46285	20.7
59.66348	20.3
63.85131	17.9
66.58169	19.8
68.92863	18.3
69.03424	56.1
70.06620	28.7
70.11282	100.0
74.59729	19.7
85.02912	93.1
97.02893	65.4
98.21413	26.7
119.01913	45.6
119.65409	18.5
121.01685	25.0
127.03889	37.6
130.06529	23.4
136.06223	32.8
143.01889	26.3
146.06010	92.8
147.03159	29.4
157.03444	43.9
160.07639	24.7
161.02925	38.7
175.02696	30.1
188.07066	38.0
219.01767	68.4
219.07706	53.6
228.05692	40.6
243.01590	30.6
245.04922	22.4
263.05930	24.8
283.08951	37.8
399.10532	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.7
57.02034	6.9
57.03447	12.3
57.61499	7.9
69.03436	23.1
69.07075	33.1
70.06594	9.4
71.04994	31.8
71.08625	9.7
71.54583	9.5
72.05305	7.5
73.02921	14.2
73.06597	11.7
77.61586	8.2
79.05487	11.0
83.05028	11.1
85.02910	100.0
85.37476	9.7
97.02879	32.5
98.97610	14.6
101.06039	10.8
107.04982	13.7
107.08498	9.6
111.04489	9.2
123.04465	11.8
127.03954	22.0
129.05504	19.9
131.05017	11.2
133.06451	10.6
135.04408	18.6
136.06174	14.3
137.92148	7.9
139.03903	12.6
145.05003	24.5
147.06529	20.6
149.05986	9.6
161.05986	10.5
167.07079	26.5
177.00639	9.8
177.05556	7.9
219.01822	10.4
237.02867	17.0
237.12939	18.6
248.20830	7.3
250.09398	11.2
257.92706	8.3
307.91992	7.1
318.66153	7.5
339.07452	20.5
399.12497	32.0
399.17746	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.6
65.03859	6.5
67.05492	32.7
69.03430	10.1
69.07057	12.3
71.56158	6.3
79.05479	36.1
81.07069	76.5
83.04965	8.0
91.05491	51.4
93.07054	44.3
93.96259	6.7
95.08601	27.2
97.06544	9.0
105.07054	58.9
107.08608	23.3
109.10159	13.0
117.07021	37.9
119.04938	9.6
119.08598	36.6
121.10146	23.2
123.11657	6.7
129.07028	9.5
131.08572	45.4
133.10121	22.2
135.11691	10.9
142.07735	9.2
143.08562	17.6
144.09302	9.7
145.10141	34.9
147.11707	11.6
155.08597	13.4
157.10173	29.9
158.10397	8.4
159.11716	100.0
160.09775	8.0
161.13237	32.5
162.13704	8.1
167.08682	7.2
171.11758	13.2
173.09561	7.8
173.13280	12.7
175.11185	8.0
183.11609	6.4
187.14862	9.2
195.11635	15.6
197.13264	10.3
203.10651	22.3
205.12265	7.5
207.11754	8.0
217.11980	6.5
229.99731	7.7
249.16428	7.1
251.17957	23.0
335.23752	49.0
353.24487	14.2
363.23001	11.2
381.24283	38.1
398.23996	15.3
399.25305	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	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.8
55.01873	10.4
57.03452	18.2
61.02924	9.1
69.03441	27.6
69.07071	38.6
70.06595	5.8
71.05013	3.9
71.55894	3.8
72.08130	2.7
73.02925	26.4
79.05496	2.7
81.03419	9.9
81.07083	2.9
84.08147	4.9
85.02911	100.0
85.03444	4.8
87.04469	5.2
87.60394	2.6
91.03966	5.3
91.05480	5.1
93.07068	4.2
95.08620	4.0
97.02892	38.3
99.04483	4.0
103.03899	2.9
107.04939	3.1
109.02875	6.4
111.08105	5.2
115.03946	14.7
119.08595	2.9
122.35219	2.6
127.03922	33.8
132.77560	2.4
133.04984	25.5
136.07503	2.7
145.04962	67.7
150.07722	3.7
150.30605	2.4
163.06035	33.1
167.07077	6.9
170.09372	3.2
210.86626	2.6
213.11324	4.9
231.12308	2.6
234.11238	6.0
235.11642	6.5
236.09119	7.4
236.11876	8.7
260.74530	2.7
266.08813	3.6
396.01025	2.8
398.18619	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69905	4.7
57.03436	43.0
61.02907	18.2
61.03182	4.4
65.92081	5.1
69.03433	41.6
69.07069	49.1
70.26714	17.7
72.92217	5.2
73.02920	91.4
77.94522	4.7
81.03416	9.8
81.07061	4.3
85.02434	7.0
85.02908	100.0
91.03961	6.8
97.02904	72.8
109.02866	9.0
115.03925	61.6
127.03912	36.0
133.04942	14.8
145.04982	62.2
163.06049	46.1
218.78513	4.8
223.06068	7.0
226.99806	5.5
252.07567	4.6
259.08054	12.5
295.10233	14.7
328.17798	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	397.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60119	6.7
55.05506	20.8
57.07074	10.1
60.81127	6.0
67.05514	55.4
69.07085	35.3
69.16026	7.4
69.33741	68.4
79.05497	51.0
81.07069	63.2
83.08610	15.2
85.06590	7.7
91.05477	25.7
93.07054	65.1
95.04943	7.7
95.08611	47.5
97.10190	8.9
105.07029	23.6
107.08591	37.9
109.10138	17.7
110.54900	7.7
111.11695	7.1
119.08570	34.5
121.10153	46.5
123.11694	9.7
133.10098	17.6
135.11690	21.7
143.08614	12.7
145.10092	13.7
157.10152	25.6
159.11749	18.2
169.10091	13.4
171.11656	11.4
173.13281	8.9
274.73419	6.9
298.72977	7.0
361.30984	100.0
362.19067	7.4
379.22531	10.4
397.14355	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	31.7
57.07066	26.1
67.05508	68.4
69.07061	49.6
70.03835	32.8
70.04252	19.4
79.05512	53.0
81.07067	100.0
83.05022	12.4
83.08616	43.3
86.53007	10.2
88.27408	9.8
91.05493	38.7
93.07059	58.2
95.08603	57.9
97.06541	16.2
97.10195	24.2
98.21466	12.6
100.88063	11.5
105.07043	32.2
107.08609	37.2
109.10178	28.0
117.06973	11.2
118.10759	11.3
119.08608	15.8
121.10162	48.5
123.11679	20.3
131.08527	14.4
133.10147	17.9
135.11696	37.4
137.09543	10.0
145.10130	15.5
147.11713	27.3
147.24954	11.9
149.13330	16.4
159.11720	15.8
207.41057	10.9
223.43401	10.9
281.11850	11.0
281.26614	10.3
305.84442	12.0
311.78198	12.1
360.10162	11.3
361.30908	83.7
389.61929	11.7
397.33200	24.6
404.10791	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	397.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54955	1.5
51.59388	1.5
52.44253	1.5
53.03951	2.9
55.01871	2.6
55.05510	2.3
57.07072	2.1
65.03931	2.0
67.05509	7.9
69.03421	2.7
69.07066	2.6
69.23718	16.2
79.05495	26.4
81.07059	100.0
83.08618	1.6
85.06540	1.7
91.05475	10.5
93.07031	9.6
95.04951	5.3
95.08615	10.0
97.06526	1.8
98.20712	2.9
105.07041	14.4
107.04958	3.1
107.08574	11.8
109.02944	1.7
109.06522	34.1
109.10125	4.4
115.05444	1.7
117.07011	6.6
119.04966	1.6
119.08596	23.7
121.06499	2.8
121.10159	3.7
123.08089	3.2
123.11721	3.4
128.06207	3.2
129.07060	2.8
131.08586	7.3
133.06532	2.8
133.10144	8.0
135.08011	8.9
135.11743	5.6
137.09590	1.6
141.07014	2.1
142.07834	2.0
143.08559	9.6
145.06540	2.0
145.10106	13.4
147.08070	6.9
147.11713	4.5
149.05965	2.1
149.09622	4.1
149.13275	3.0
151.11189	2.6
155.08554	4.2
156.09334	11.1
157.06512	1.7
157.10173	8.9
159.08078	2.1
159.11697	6.0
161.09593	3.0
161.13261	4.8
163.07547	6.3
163.65392	1.6
165.06973	1.6
166.07860	2.1
167.08563	3.2
168.09299	2.1
169.10120	5.4
171.08081	3.9
171.11740	9.3
171.12991	1.5
173.09622	3.8
175.07516	2.8
175.11136	4.6
179.08594	2.6
181.10156	7.1
182.10829	1.6
183.11736	5.8
184.08846	5.1
185.05951	2.2
185.09615	2.3
185.13316	2.3
187.11224	4.0
191.10809	1.9
193.10197	2.1
195.11699	2.5
197.13254	1.7
199.11188	10.8
199.14888	3.5
201.09097	2.0
201.78214	1.5
209.09735	2.1
209.13304	3.0
211.11208	3.1
213.09084	2.7
215.10759	3.6
217.15846	3.5
219.11708	3.2
221.13550	1.6
223.11182	1.7
223.14952	1.9
227.10693	22.5
229.12257	3.7
249.16389	2.3
251.14281	2.2
261.16565	2.7
269.15451	2.4
271.16983	3.3
295.17148	1.6
297.14993	1.8
305.22507	1.8
315.16077	3.1
317.22733	4.1
333.22296	2.8
351.23145	18.0
361.21625	4.8
379.22717	34.0
397.23688	25.6
407.37463	1.6
409.90393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86519	2.2
53.03947	2.6
55.05509	8.8
56.65179	2.4
61.28156	2.8
65.03952	5.2
67.05504	17.2
69.03440	6.5
69.07076	14.0
71.04993	4.3
71.19845	5.8
79.05503	20.5
81.07063	28.4
83.04936	3.3
83.08624	7.8
84.36836	2.5
91.05493	52.5
93.07049	44.6
95.04964	9.3
95.08624	23.9
97.06517	3.5
103.05487	4.0
105.03418	2.5
105.07037	51.3
107.04982	5.1
107.08600	37.6
109.06525	9.9
109.10164	10.1
111.04438	4.7
115.05473	10.2
117.07023	51.8
119.08588	38.3
121.06506	11.5
121.10137	11.0
123.08092	8.1
123.11698	3.3
125.09608	2.9
128.06247	6.0
129.07016	15.1
131.04916	4.0
131.08577	23.4
133.06516	5.6
133.10149	24.5
135.04387	3.8
135.08067	100.0
135.11700	32.5
137.06015	7.5
137.09645	4.9
141.06987	5.0
142.07794	7.6
143.08569	19.3
143.47125	3.1
145.06485	4.2
145.10143	25.5
147.08067	6.9
147.11748	13.9
149.06038	3.9
149.09639	7.8
149.13263	4.7
151.03876	4.7
151.07547	5.3
153.07037	3.2
155.08543	9.4
156.09335	5.9
157.06496	4.9
157.10121	16.9
158.07265	5.8
159.08057	9.0
159.11703	61.9
160.08823	6.1
161.06036	3.8
161.09634	11.7
161.13278	19.4
163.07574	5.4
163.11214	4.0
165.07014	7.9
165.09140	2.7
166.07796	4.1
167.08575	6.8
168.09355	4.0
169.10123	10.3
171.08072	10.1
171.11678	14.5
173.09637	28.3
173.13240	8.0
174.10156	2.9
175.11165	29.9
175.14845	2.9
177.12827	3.3
179.08565	4.3
179.10629	2.9
181.10167	13.4
183.11711	8.9
185.09633	11.8
185.13266	2.9
187.11188	8.9
189.09169	3.7
189.12741	4.7
191.10608	5.3
193.10110	5.7
195.08089	4.8
195.11745	7.2
197.09660	3.0
197.13176	3.4
199.11194	20.6
199.14841	3.1
203.10577	4.3
205.10329	5.5
205.12262	29.7
207.11789	5.3
207.13756	3.5
209.09641	5.9
209.13226	3.6
211.11235	4.3
213.09177	3.5
213.12782	2.9
215.10669	3.6
215.14372	2.9
216.09518	2.9
221.13339	7.3
223.11191	4.3
223.14761	4.3
225.12698	3.6
227.10669	15.3
229.12300	6.0
233.13240	2.9
241.12323	4.2
245.11734	45.5
249.12680	4.1
251.14398	6.8
265.15833	9.1
269.15317	9.1
275.14267	3.2
283.13358	11.4
285.14850	5.9
311.16568	12.8
315.15936	11.6
327.19611	7.1
333.22214	12.4
333.54337	3.1
351.23264	21.1
361.21753	6.1
379.22806	24.3
380.22855	5.2
397.23785	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2375
Annotation	2'-epi-Nassauvirevolutin C
Peak:m/z	Relative Intensity
50.60546	3.0
55.01857	3.2
55.05511	6.6
66.32456	3.1
67.05505	12.3
69.03435	5.1
69.07069	7.6
71.04981	9.7
71.15564	4.8
71.15900	5.2
79.05512	19.0
81.07066	23.1
82.04256	3.8
88.61961	3.6
91.04959	4.9
91.05486	34.8
93.07037	28.2
95.04953	5.0
95.08627	20.4
97.06532	6.4
99.08075	5.3
103.05433	6.7
105.07046	32.4
107.08593	15.8
109.06541	10.5
109.10183	3.7
111.08095	5.1
113.09689	3.6
115.05455	3.9
117.07021	38.1
119.08607	19.8
121.06505	7.3
121.10147	8.3
123.08098	5.7
127.07642	4.0
129.07016	15.4
131.08578	17.2
133.06534	7.2
133.10147	14.9
135.08075	15.0
135.11716	23.7
142.07806	4.7
143.08542	14.2
145.06462	5.9
145.10135	11.0
147.08040	8.0
147.11697	9.3
149.13217	4.9
151.07654	3.7
153.07027	4.3
155.08591	12.7
157.06538	6.9
157.10199	16.4
159.08081	8.7
159.11729	28.8
161.09665	5.5
166.07809	9.2
167.08614	7.1
169.10109	5.6
170.07295	4.0
171.08023	5.8
171.11749	6.4
173.09628	13.5
175.11209	8.4
177.12816	7.5
178.07901	3.5
179.08643	4.1
181.10162	12.1
183.11754	6.2
185.09650	15.7
193.10178	14.9
194.11037	3.4
195.11749	9.5
197.09656	8.1
197.13341	3.6
199.11218	14.9
203.10674	7.8
207.11748	8.0
208.12294	3.6
209.09702	6.6
211.11290	9.4
211.14763	3.5
216.07491	4.8
216.09358	4.3
217.10167	4.9
221.13416	5.4
223.14722	4.9
227.10675	6.6
229.12204	5.4
231.11784	4.5
233.13371	5.0
237.12566	4.4
245.11771	28.1
247.14877	9.2
249.12769	9.2
251.14493	3.5
257.11716	7.0
265.15942	5.4
275.14294	6.0
281.15454	4.9
283.13364	7.5
289.15979	4.3
293.15442	9.5
299.16489	8.9
305.19089	4.3
311.16440	10.6
315.21048	6.3
323.16324	3.5
333.22137	13.2
351.19504	8.9
351.23303	9.5
357.95908	3.3
361.21683	22.7
379.22699	100.0
387.22061	3.6
397.15948	5.1
397.23767	78.7
398.23889	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	397.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01852	1.7
55.05516	12.4
57.07067	2.1
67.05504	12.8
69.03428	1.7
69.07080	10.5
69.79673	5.0
77.03307	1.1
77.03908	1.9
79.05495	13.5
81.07061	27.3
83.04976	1.9
83.08607	5.0
91.05482	23.4
91.38127	1.4
93.07050	18.6
95.04976	3.9
95.08604	22.4
97.06533	3.1
97.10171	4.2
98.21420	1.7
103.05494	3.2
105.06380	2.6
105.07028	22.1
107.04942	5.5
107.08607	13.6
109.06506	3.6
109.10159	7.1
114.11746	1.3
115.05440	2.9
117.07017	13.1
119.04923	1.4
119.08586	17.9
121.06505	7.3
121.10156	6.8
123.08080	1.6
123.11717	4.4
125.09640	1.7
128.06224	4.5
129.06990	10.1
131.04903	2.1
131.08569	17.8
133.06494	5.6
133.10143	9.3
135.08046	10.1
135.11717	6.4
137.05963	1.4
137.13217	5.2
139.57797	1.3
141.07005	5.5
142.07753	4.2
143.08556	13.6
145.06511	7.1
145.10159	12.6
147.04453	1.4
147.08075	5.9
147.11690	5.4
149.06000	2.2
149.09705	2.9
149.13251	3.5
151.07553	1.8
152.06293	1.7
153.07033	3.3
154.07703	2.9
155.08557	13.6
156.09311	1.5
157.06523	3.4
157.10147	11.1
159.08107	7.2
159.11731	7.5
161.09604	4.9
161.13277	10.8
163.07556	5.6
163.11240	1.3
165.07013	5.3
165.09076	3.0
166.07782	3.3
167.08592	7.1
168.09409	2.2
169.10123	13.0
171.08060	6.4
171.11662	6.0
173.06010	1.7
173.09636	7.1
173.13264	2.7
175.07568	4.1
175.11154	2.0
175.14812	1.5
178.07793	1.9
179.08578	7.4
180.09395	2.6
180.77956	1.2
181.10114	14.4
183.08060	3.8
183.11752	8.6
185.09663	3.3
185.13295	3.3
187.07535	1.8
187.11226	3.3
187.14786	1.7
189.09177	2.8
189.12827	2.2
191.07111	4.7
191.08652	2.4
192.09354	3.5
193.10139	8.5
194.10938	3.7
195.08005	2.5
195.11707	7.7
196.08733	1.7
197.09676	7.6
197.13310	4.7
198.10289	1.6
199.07608	2.3
199.11162	3.4
199.14760	2.6
201.09102	3.0
203.06961	1.6
203.08615	3.2
203.14395	1.8
204.09413	2.9
205.08582	3.3
205.10188	4.9
206.10939	3.8
207.11765	8.7
208.12413	1.8
209.09644	5.2
209.13287	7.0
211.11223	5.3
211.14783	1.6
213.09149	4.1
213.12698	1.7
213.16338	1.5
215.10768	4.2
218.10867	4.0
219.11853	6.7
220.12456	2.1
221.09743	2.2
221.13292	4.4
222.10504	2.4
223.11171	5.9
223.14775	4.1
225.09189	3.2
225.12808	3.6
227.10626	3.3
227.14377	4.8
229.12262	2.2
231.11839	3.0
233.13266	8.8
234.10100	1.5
235.11287	3.5
235.14819	3.8
236.11943	2.7
237.12784	5.5
239.10846	1.5
239.14281	1.8
241.08672	2.1
241.12282	3.1
241.15857	2.0
243.10165	5.2
245.13348	1.5
247.14644	1.6
249.12749	3.1
249.16512	2.1
251.10782	1.5
251.14343	10.8
253.12323	4.0
255.13826	4.6
257.11893	1.6
259.14999	1.7
263.14304	3.4
263.18143	1.4
265.12192	3.6
269.11890	3.1
269.15381	6.6
277.12204	3.1
277.15735	1.7
279.13858	7.7
281.15338	2.6
283.13321	5.3
285.15131	1.5
291.13940	2.2
291.17316	1.7
295.13382	1.7
295.16840	1.7
297.14893	9.1
301.14301	8.9
305.15411	2.0
305.22855	2.7
309.14807	4.5
315.15903	25.3
315.19275	2.3
319.16968	1.9
327.15921	4.4
333.22156	4.0
341.17459	2.2
351.23233	9.9
361.21664	10.3
369.24243	3.5
379.22684	20.4
397.23746	100.0
398.24045	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	397.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01848	1.8
55.05502	3.5
57.03437	1.0
65.03954	1.7
67.05513	9.0
69.03423	2.6
69.07070	5.5
71.26759	2.1
79.05499	9.6
79.92497	1.1
81.03403	1.4
81.07064	15.2
82.53529	1.1
83.04980	2.1
85.06545	1.2
91.05487	19.0
93.07059	19.3
95.04982	4.7
95.08120	1.2
95.08622	10.7
97.06564	1.9
97.10210	2.0
99.04472	0.9
103.05510	1.1
105.07043	20.2
107.04961	2.1
107.08593	11.7
109.06554	2.7
109.10141	3.6
113.20366	0.9
115.05455	2.0
115.41875	1.0
117.07025	15.9
119.08585	14.1
119.49548	1.0
121.06532	1.4
121.10115	4.9
123.08096	2.2
123.11726	2.7
125.06002	1.9
125.09614	1.4
128.06227	2.4
129.07024	5.7
130.07843	1.2
131.08575	12.3
133.10161	8.8
135.04395	1.5
135.08057	14.6
135.11702	8.5
137.05962	2.4
137.09686	1.0
139.04002	1.2
141.06984	2.2
142.07767	3.3
143.08580	9.1
144.09348	2.3
145.06485	3.4
145.10120	10.4
147.08093	2.8
147.11679	6.4
149.05936	1.4
149.09633	5.8
149.13278	1.6
151.03923	4.8
151.07500	1.7
151.11176	1.0
155.08574	3.8
156.09377	1.9
157.10150	7.1
158.07239	1.3
158.10941	1.3
159.08086	1.9
159.11716	15.2
160.08850	1.1
161.09630	6.6
161.13280	4.6
163.07573	2.6
163.11211	1.1
165.07065	2.0
166.07680	1.2
167.08618	1.6
169.10205	2.6
171.08086	1.3
171.11729	5.4
173.05881	1.9
173.09660	9.5
173.13268	5.7
175.07584	1.9
175.11183	6.6
175.14774	1.6
176.04466	2.3
177.09100	2.5
177.12798	1.7
179.08704	1.3
181.10161	2.7
183.11766	3.0
185.09698	3.3
185.13225	3.9
187.11192	2.4
191.10663	1.2
193.10164	2.7
194.07152	1.0
195.08061	1.1
195.11740	4.6
197.09595	1.5
197.13232	1.2
199.11221	2.8
199.14729	1.4
201.05234	6.2
201.12842	1.9
203.06844	1.2
203.10664	2.5
205.12260	4.8
207.11688	1.8
209.09636	1.2
209.13153	1.0
211.11188	3.1
211.14648	1.1
213.08932	2.0
213.12683	1.7
215.10736	1.6
216.07599	52.8
217.08331	5.8
219.11697	1.1
221.13345	1.9
223.14900	1.5
225.12756	1.3
227.10664	1.3
229.12262	1.8
233.13312	1.3
235.14787	1.4
245.11728	1.4
251.14191	2.4
257.09976	1.5
263.14340	1.2
265.15891	1.8
277.15906	1.3
297.15216	1.2
311.16501	6.2
333.21893	6.5
351.23032	4.7
361.21646	4.2
376.22049	1.1
379.22726	8.1
397.16223	100.0
397.23740	14.3
398.16577	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	396.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16156	2.6
88.43336	0.9
93.07072	0.8
96.33915	0.8
111.04431	1.8
113.10788	0.8
136.91505	0.8
139.03915	32.4
154.06561	1.6
163.03957	1.2
172.07602	0.7
182.06111	0.8
184.07614	4.2
188.04610	0.8
191.11404	0.7
194.06000	1.3
199.06215	0.8
200.07054	10.2
201.07794	1.2
202.08627	1.5
203.07117	1.0
212.07080	12.0
215.05777	1.6
216.06596	1.1
222.05507	1.7
224.07138	1.6
228.06581	15.5
229.07352	8.2
230.08142	53.4
239.05753	0.9
240.06587	21.6
241.07262	0.9
242.08134	3.2
251.05942	1.3
252.06610	3.3
253.07356	4.3
256.06113	2.4
257.06897	6.3
258.07629	35.0
266.08142	4.7
267.08997	2.4
268.09555	1.4
270.07660	13.7
290.07913	2.0
291.08923	5.4
292.09357	1.1
294.07642	5.7
295.09717	1.2
312.08685	1.2
318.07666	1.4
330.99826	0.9
332.09238	3.0
336.08755	1.5
348.08694	0.9
349.09183	0.9
350.10452	1.6
360.08853	7.5
376.08334	1.7
377.08997	1.7
378.09753	100.0
379.10168	2.9
396.10825	97.8
397.11118	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	397.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.6
58.05283	1.8
61.98318	2.3
69.03417	7.3
70.06594	7.0
70.70019	6.2
71.04993	2.9
72.08168	2.6
72.83768	1.8
73.02920	3.0
75.87184	1.9
77.00921	2.1
81.03436	4.6
82.99836	2.8
84.32235	2.0
85.02908	9.6
86.09723	2.8
86.99323	2.8
89.00934	2.7
91.05545	1.9
97.02891	8.8
98.21415	2.2
98.97576	8.2
100.07592	2.4
101.00887	29.9
102.01000	2.0
103.00656	2.9
103.02462	11.2
107.04955	8.5
110.97569	2.1
112.99126	2.4
113.00850	8.1
115.02415	4.0
116.07104	3.0
116.98631	2.6
119.01941	45.1
119.22628	1.9
121.01671	4.4
121.03537	4.4
123.02917	2.3
127.02460	15.6
127.03940	3.6
128.98618	2.0
129.04036	4.3
131.00221	3.8
131.01917	27.6
133.01715	3.2
133.03529	5.1
135.04428	2.9
137.06032	3.1
139.02409	4.4
141.03954	13.2
143.01904	44.7
145.03485	70.8
145.04680	3.7
147.01382	8.1
147.03238	4.5
149.02979	3.4
155.01909	49.2
155.03116	4.2
157.03494	24.1
159.05058	13.5
161.02980	42.7
162.03053	2.1
163.02681	3.2
163.03870	6.1
164.06982	2.6
167.01923	21.6
169.03487	21.0
171.01430	11.0
171.02948	2.0
171.05064	5.9
173.01430	4.0
173.02983	72.6
173.04521	4.1
174.03160	2.6
175.02809	3.5
175.04541	9.3
178.52774	2.5
179.01942	4.2
181.03624	3.2
185.02977	61.6
187.04541	20.5
189.00945	2.6
189.02446	12.6
189.04286	6.6
191.02156	2.6
191.04037	2.7
193.00327	2.8
193.01923	4.0
193.05556	2.3
195.01447	15.7
197.01361	3.6
197.02968	21.8
199.00896	8.0
199.04594	3.6
201.02441	2.3
203.04033	21.0
209.03018	5.9
211.04514	3.4
211.06508	3.1
213.02425	18.3
213.06079	3.0
215.04034	14.8
217.01955	100.0
218.02071	4.8
218.05548	2.7
221.04961	6.6
223.00941	3.6
223.04643	2.8
225.02478	4.3
227.04010	7.5
229.01926	8.5
235.03003	33.4
235.06673	6.3
236.12891	3.5
241.01961	55.2
241.04320	4.0
245.05014	8.1
247.03033	26.7
247.06844	5.2
251.06062	4.5
259.03064	21.7
263.06137	2.5
265.03943	4.5
271.03116	2.9
271.06586	6.0
277.04147	18.3
281.07236	40.7
282.07455	2.6
283.08807	5.3
289.02173	2.7
295.03320	2.8
295.06497	3.2
307.05368	5.2
313.07669	2.9
337.10037	37.0
338.10013	2.4
351.07605	4.2
355.09082	7.2
367.07883	4.9
379.07144	9.4
397.08588	62.1
397.19244	7.8
398.08713	6.0
398.18103	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	395.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05520	25.2
57.07073	6.1
67.05504	45.0
69.07077	31.9
69.41424	22.8
71.05013	5.8
71.08634	4.1
71.95491	3.1
79.05491	30.9
81.07066	66.4
83.04962	3.9
83.08633	26.0
91.05466	5.7
93.07057	29.0
95.08049	5.7
95.08611	62.1
97.06537	24.1
97.10176	13.2
105.07026	7.8
107.08598	21.7
109.10168	41.1
111.08069	7.9
117.07121	3.3
119.08598	6.3
121.10151	39.7
123.11729	14.3
133.10127	3.4
135.11703	24.5
135.48405	2.6
137.13326	3.4
145.07991	2.9
145.10144	3.3
147.11705	5.6
149.13310	14.2
161.13194	3.9
223.37030	3.0
273.04700	3.0
295.26376	3.7
359.33096	38.7
377.34164	100.0
395.36353	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	395.2219
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03936	5.8
55.01867	3.3
55.05503	10.1
56.10670	2.3
65.03937	4.9
67.05505	23.7
69.03426	19.5
69.07061	8.2
70.11547	7.9
71.04953	4.4
79.05496	20.8
81.03406	3.4
81.07060	23.2
83.05011	5.2
85.06527	3.0
91.05482	76.9
93.07045	30.7
93.07909	2.4
95.04973	10.3
95.08606	13.9
97.06525	17.3
103.05474	4.4
105.06390	3.9
105.07037	54.1
107.04959	5.2
107.08614	15.8
109.06497	14.3
109.10193	4.9
111.08078	10.6
111.68825	2.7
113.06020	3.1
115.05458	5.4
117.07011	23.6
119.08592	26.7
121.06504	11.9
121.10134	4.6
123.08080	7.4
123.11675	4.3
128.06232	8.2
129.06996	28.9
130.07784	4.6
131.08572	49.6
133.06496	11.1
133.10144	33.1
135.08083	15.3
135.11676	7.5
137.05939	3.7
137.09621	4.8
139.96492	2.4
141.06982	8.6
142.07784	16.8
143.08580	21.0
145.06471	4.9
145.10120	30.0
147.08060	19.7
147.11711	18.4
147.12732	3.1
149.09619	4.4
151.07451	3.0
151.11176	8.7
153.07019	4.8
154.07764	2.9
155.08560	12.8
156.09343	5.4
157.06485	5.2
157.10118	45.0
159.08055	14.2
159.11700	11.3
161.09621	8.1
163.11227	4.3
165.06950	6.4
166.07797	3.8
167.08571	8.6
168.09454	3.2
169.10074	15.4
171.08078	10.8
171.11646	14.0
173.09639	24.3
173.13260	3.3
175.11160	25.2
177.12773	4.2
179.08560	6.5
180.09351	5.4
181.10114	11.3
183.08124	5.7
183.11687	8.3
184.08873	4.2
185.09637	24.1
185.13255	3.9
187.11185	9.2
191.08662	3.4
192.09259	5.9
193.10153	9.0
195.08029	3.2
195.11725	12.6
197.09666	14.2
197.13383	3.7
199.11162	16.4
201.09181	9.0
203.08936	3.1
203.10719	10.0
205.10155	6.5
206.10904	4.9
207.11737	10.2
209.09599	10.2
209.13203	6.8
211.11197	13.5
211.14917	4.5
213.09175	3.3
213.12703	3.7
215.10706	4.7
217.10202	6.7
217.12193	3.0
218.10992	3.7
219.11743	10.2
221.09795	3.8
221.11557	5.9
221.13341	8.1
223.11121	4.4
223.14723	4.4
225.12730	4.3
227.10637	6.9
232.12694	4.2
233.13248	4.9
234.10287	4.5
235.11211	6.4
235.14832	4.8
237.12662	6.1
237.16312	4.4
239.14282	5.1
245.09593	4.3
245.11638	18.5
247.11162	4.2
247.14792	5.0
249.12730	7.6
251.14259	5.0
253.12241	4.3
257.13486	3.2
260.11536	3.0
261.12823	4.1
263.14362	6.0
265.15881	8.8
267.13788	14.1
267.16504	2.6
275.14404	9.9
275.17404	3.5
279.13779	6.2
281.15427	5.6
283.13306	3.1
285.14807	5.1
291.13971	2.5
291.17432	11.7
293.15396	8.9
299.16510	5.6
303.17502	2.8
309.14780	3.3
311.16525	5.2
313.19382	4.4
319.17026	4.8
323.16379	3.4
331.20578	21.9
337.18085	11.7
337.25064	4.5
341.18719	6.1
349.18149	4.6
349.21625	19.3
359.20148	24.6
367.18781	6.2
367.22992	4.1
377.21118	77.6
395.22177	100.0
396.22559	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	395.2219
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
50.57655	1.7
53.03955	2.0
55.01872	2.5
55.05502	4.9
67.05506	14.8
69.03416	2.2
69.07072	10.6
69.41422	5.3
69.41844	8.0
79.05496	17.4
81.07055	15.6
85.78920	1.6
91.05486	27.6
93.07050	24.2
95.04956	5.0
95.08611	39.2
102.81414	1.7
103.05478	3.8
105.04519	1.7
105.07041	27.1
107.04936	2.9
107.08596	18.3
109.10147	5.7
109.62444	1.6
111.08118	1.7
115.05449	5.4
117.07035	18.0
118.22683	1.8
119.08578	24.3
121.06493	4.9
121.10151	14.5
123.04467	2.3
123.08064	3.0
123.11678	2.6
128.06241	6.3
129.07011	11.5
131.04930	1.9
131.08569	13.9
133.06511	5.2
133.10120	23.6
135.08020	5.1
135.11684	28.8
137.06038	2.6
141.07018	6.6
142.07791	4.7
143.08588	13.4
145.06493	3.7
145.10124	12.6
147.08047	5.7
147.11716	8.6
149.06129	2.0
149.09622	3.6
151.07585	4.5
153.06934	1.8
154.07782	3.3
155.08615	10.0
156.09366	3.2
157.10149	9.7
159.08067	7.0
159.11703	10.8
161.09599	5.5
161.13297	2.9
163.07530	3.3
163.11174	2.4
165.06999	3.4
165.09125	3.3
166.07750	1.9
167.08638	7.8
169.10167	9.6
171.08043	5.9
171.11710	5.6
173.09706	6.2
173.13266	3.7
175.07626	3.2
175.11238	3.9
178.07832	2.0
179.08574	8.5
180.09344	3.1
181.10100	7.3
183.08009	2.8
183.11696	5.3
184.08714	2.0
185.09627	5.0
185.13243	2.0
187.11241	5.9
189.09183	4.3
191.08553	2.7
192.09366	3.8
193.10127	9.9
195.08118	2.1
195.11743	6.1
197.09683	5.5
197.13258	2.1
199.11214	3.8
201.09154	2.1
201.12767	2.8
203.08487	2.8
203.10663	1.9
204.09309	2.7
205.10158	4.2
207.11693	3.5
209.13335	2.9
211.11224	3.5
213.09212	4.1
215.10722	4.4
217.10263	3.5
218.11000	2.5
219.08029	1.8
219.11732	6.3
221.13205	4.5
223.11302	2.0
223.14864	2.1
225.09187	3.2
225.12747	2.6
227.10812	3.5
231.11865	2.1
233.13338	3.3
235.14851	3.7
237.12859	4.0
239.10779	1.8
243.13860	2.7
245.13164	2.2
247.11165	3.2
247.14912	3.2
249.12733	1.9
253.12395	2.5
261.11133	2.1
261.16617	1.9
265.12247	2.7
267.13815	2.2
271.14926	2.3
273.16318	2.2
275.12662	2.3
275.18097	1.7
277.12491	2.9
285.11118	2.6
303.21140	3.1
327.74112	1.8
331.20630	3.7
349.21701	5.7
353.17538	3.1
359.20193	4.9
367.19177	4.6
377.21149	10.0
395.22180	100.0
396.22659	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	395.2218
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03943	3.0
53.18808	1.1
55.01843	1.2
55.05510	5.5
55.09994	1.1
65.03931	2.7
67.05509	14.0
69.03411	1.4
69.07061	5.7
71.01353	1.8
71.36363	2.0
79.05487	14.0
81.03423	1.9
81.07065	16.9
83.04969	1.1
89.46417	1.0
91.05482	26.1
93.07047	30.2
95.04970	6.4
95.08614	50.1
97.06518	1.4
97.37334	1.0
103.05481	4.1
105.07037	30.8
107.04949	2.3
107.08592	24.5
109.06511	4.0
109.10136	4.3
111.08085	3.6
113.09630	3.1
115.05455	4.1
117.07023	18.0
119.08588	23.9
121.06499	4.2
121.10159	8.5
123.04416	4.6
123.08082	1.9
123.11721	2.5
126.47573	1.0
128.06238	6.1
129.07024	12.1
130.07719	1.2
131.04921	2.7
131.08574	15.7
133.06464	2.7
133.10133	29.6
135.08101	5.3
135.11693	63.9
137.05965	2.5
141.06989	6.5
142.07767	3.8
143.08569	12.6
144.09305	2.3
145.06509	6.2
145.10114	10.2
146.07117	1.0
147.08061	5.1
147.11673	9.3
149.06059	2.2
149.09682	1.8
151.07591	5.6
151.11179	1.3
153.06990	3.3
154.07765	4.8
155.08566	11.4
156.09409	2.5
157.06516	1.6
157.10144	7.8
158.07272	1.7
159.08067	5.7
159.11705	10.5
161.09586	7.3
161.13281	3.7
163.07509	2.0
165.06976	6.0
165.09077	1.4
166.07793	1.9
167.08551	7.5
168.05539	1.3
168.09377	1.4
169.06488	2.0
169.10130	11.5
171.08034	4.3
171.11684	4.1
173.09630	4.0
173.13283	3.2
175.07558	3.5
175.11177	1.7
178.07797	2.4
179.08525	5.9
180.09373	2.8
181.10129	7.2
182.07294	2.0
183.08096	3.3
183.11659	4.4
185.09613	3.8
185.13290	2.7
187.07573	1.5
187.11096	5.5
189.07031	1.3
189.09117	4.8
190.07794	1.5
191.08556	3.1
192.09386	2.5
193.10146	8.6
195.08051	1.9
195.11673	6.8
196.08923	1.4
197.09642	9.5
197.13263	2.8
199.11235	2.9
199.14960	1.2
201.09209	2.9
201.12782	1.8
203.08635	3.0
204.09396	2.0
205.10153	4.9
206.10834	1.5
207.11700	4.2
209.09657	3.2
209.13312	4.4
211.11208	3.4
213.09105	2.2
214.89818	1.2
215.10512	6.1
217.10179	3.9
218.10895	2.2
219.08206	1.4
219.11745	9.2
221.13243	4.0
223.11127	2.3
223.14821	2.2
225.09203	2.6
225.12733	2.9
227.10744	1.5
227.14320	1.2
229.10159	1.8
229.12273	2.2
230.10684	1.4
231.11827	1.9
232.08798	1.7
232.12457	1.5
233.09697	2.2
233.13295	3.0
235.11160	2.2
235.14896	2.6
237.12746	4.9
237.16481	1.8
243.10133	3.1
243.13924	2.4
245.13332	2.2
247.11185	3.4
247.14851	2.1
249.12637	2.6
251.14308	2.7
253.12100	1.7
255.13960	2.1
261.11295	4.5
263.14465	1.6
263.17789	1.4
265.12381	3.7
271.14636	1.3
275.14432	1.4
277.12189	1.7
277.15802	1.1
279.13550	1.2
287.18323	1.2
289.16037	1.6
289.19211	1.2
295.13379	1.5
301.14334	1.9
303.13763	1.7
303.17279	1.6
313.19485	2.4
315.15936	3.2
321.15036	2.1
321.18500	1.3
331.16965	2.2
331.20560	4.6
335.19968	1.4
339.15787	1.6
349.17789	1.2
349.21747	6.1
353.17114	1.4
359.19974	5.2
367.19073	7.1
367.23013	1.8
377.21216	10.2
383.91144	1.2
395.22177	100.0
396.22641	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	395.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32547	2.6
55.05516	2.7
65.03933	4.1
67.05516	12.8
69.03430	8.2
69.07066	3.5
69.43331	4.9
69.43738	11.8
71.05003	2.8
79.05509	14.5
81.07056	20.9
83.04984	7.9
91.05493	83.4
93.07063	23.0
95.04974	4.5
95.08604	11.8
97.06526	4.2
105.07049	26.6
107.08611	12.6
109.06517	4.6
109.10146	4.1
115.05536	2.9
117.07034	12.6
119.08580	14.0
121.06555	5.3
121.10141	6.3
121.65039	2.6
123.08060	8.5
125.09624	2.9
128.06229	2.9
129.07030	12.1
131.08583	33.0
133.10133	12.1
135.08075	60.4
135.11679	5.6
137.08347	2.2
141.06947	4.9
142.07813	7.4
143.08566	9.4
144.09381	3.7
145.10158	16.8
147.08101	3.5
147.11693	7.0
149.09660	4.9
149.13260	3.1
151.11136	2.5
155.08557	7.1
157.10088	12.6
158.07269	5.1
159.08076	10.3
159.11719	15.2
160.08823	7.0
161.09648	20.2
167.08641	2.5
169.10141	4.0
171.11671	2.5
172.08839	4.1
173.09645	44.6
175.11221	58.3
177.12781	4.0
185.09630	14.9
185.13150	2.7
187.11198	24.0
189.12784	3.2
195.08055	3.0
201.09187	3.0
203.10719	3.1
209.09651	3.2
211.11189	4.0
219.11758	2.3
223.11295	3.7
229.12463	3.0
235.14915	2.4
237.12773	4.3
237.16420	4.3
239.14281	3.0
263.14453	16.0
265.15897	100.0
331.20499	11.0
349.21674	50.7
377.21036	5.9
395.22183	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	395.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38081	0.6
55.01851	0.8
69.03399	0.6
69.04807	0.5
70.86969	1.1
85.02897	0.7
92.18781	0.7
107.08546	0.7
109.02839	0.6
120.08141	0.8
127.29434	0.6
137.05939	0.7
159.29890	0.6
161.07132	0.6
189.97597	0.6
197.10837	0.8
199.08675	2.4
200.09489	3.0
201.10275	1.0
211.08676	2.9
211.91486	0.6
212.09473	2.2
213.10222	6.7
214.11050	1.4
215.11823	10.1
217.09726	2.1
225.10242	6.5
226.11040	1.9
227.08121	1.0
227.11778	0.8
227.73717	0.7
229.09758	2.4
231.11252	2.2
239.08211	4.7
239.11714	3.6
240.08946	1.7
241.09749	4.0
241.13393	4.8
242.10454	3.8
243.07594	1.1
243.11305	9.7
244.08379	0.8
245.09238	1.7
249.10434	0.6
251.11890	0.9
253.09760	6.0
256.12048	1.2
257.09201	5.0
257.12894	1.8
259.10773	4.5
263.10303	3.1
267.11334	3.1
268.08481	2.1
269.04492	0.7
269.09241	0.5
269.10400	0.6
269.12924	4.7
271.10800	30.5
271.13831	1.5
275.10266	3.0
285.12317	5.5
286.09473	1.7
287.13812	2.8
295.10699	2.7
297.12308	6.5
300.11118	0.9
303.09967	1.0
303.13498	2.2
313.11847	7.1
315.13290	5.6
321.10873	3.1
323.10196	2.8
331.12888	2.5
333.14395	1.7
341.11319	8.4
349.13968	2.3
359.12350	12.4
377.13483	22.1
395.14508	100.0
396.14862	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	395.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01869	0.5
56.05044	0.3
56.96565	0.9
57.03431	0.8
61.02916	0.5
67.05482	0.4
69.03416	1.6
69.57478	2.2
70.06602	1.0
71.04990	0.7
71.06069	0.3
72.93800	0.5
73.02924	0.7
78.41059	0.3
81.03427	0.7
82.02940	1.6
84.04505	0.4
84.08172	0.4
85.02923	3.2
87.04436	0.3
91.05486	0.5
94.04099	0.3
97.02917	2.5
98.06117	0.4
98.28909	0.3
98.97581	2.9
103.03939	0.4
107.04948	0.7
109.02888	0.4
110.02431	0.4
114.05527	10.8
114.09161	0.7
115.09570	0.4
116.98629	1.2
119.01907	1.0
123.06688	0.7
124.04161	0.4
124.05085	2.4
126.05524	0.8
127.03896	1.3
128.98618	0.4
130.06551	0.5
132.95819	0.3
134.99652	0.4
137.02325	0.5
137.05975	2.6
138.01877	0.9
138.06348	0.5
139.03983	0.3
140.07069	0.5
142.05052	1.5
142.06047	0.3
143.01941	0.3
145.03465	0.3
145.04932	0.5
146.99637	0.4
147.04347	0.7
149.04602	12.7
152.03432	0.5
155.03394	6.0
158.06090	0.4
158.99648	0.6
160.06058	0.8
160.07530	0.4
161.02957	0.8
166.07253	100.0
167.05603	1.2
167.07172	1.9
173.04663	0.4
177.00681	0.7
179.07057	0.6
180.02934	0.4
184.05954	0.4
186.96944	0.4
187.04472	0.5
189.04260	0.4
192.08748	0.3
206.10533	0.5
212.05600	0.6
216.08841	1.6
216.98013	0.4
217.05206	0.3
219.01736	0.7
220.08334	0.5
223.04866	0.3
225.06273	0.6
230.06621	3.6
230.10445	0.5
234.99014	0.7
237.02846	1.2
240.08789	0.9
245.04753	0.3
271.10736	0.6
275.02417	0.5
284.07809	0.4
305.07602	0.4
335.10199	0.8
346.74622	0.4
359.11212	0.5
363.09860	0.4
374.76358	0.3
377.12064	1.7
395.13120	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	395.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81608	2.0
69.03422	3.7
71.55308	3.1
76.13586	2.5
82.56325	2.4
84.08134	3.2
85.02911	7.5
97.02892	6.2
100.82464	2.8
101.00893	31.4
103.02452	4.6
108.46182	2.3
113.00887	7.4
116.07043	2.5
117.03973	3.2
119.01933	93.3
119.98698	2.4
120.02015	3.4
122.07133	2.3
127.02444	8.3
127.07286	2.2
129.04041	3.1
130.06497	4.6
131.01918	43.5
132.13942	2.4
133.03493	9.4
135.05084	3.0
137.02946	15.6
141.03967	5.4
143.01901	16.5
145.03474	93.5
147.05045	4.5
149.02968	9.6
155.01897	12.1
157.03523	17.3
157.07661	5.8
158.06064	5.1
159.05074	26.5
159.09081	4.1
161.02966	35.4
161.96062	2.2
163.04550	21.5
169.03488	53.8
171.01431	7.3
171.05075	15.3
172.04269	2.9
173.02977	19.7
175.04575	14.7
175.08687	3.4
177.02466	4.7
177.06174	3.9
180.27884	2.7
181.03462	12.6
183.05063	4.0
185.02977	11.0
187.04535	100.0
189.02423	20.8
189.06168	4.4
197.03072	4.2
199.04495	26.5
201.02536	3.0
201.06117	5.4
203.03981	16.5
205.05701	3.8
206.03961	2.8
207.03641	7.1
210.06158	4.6
213.02521	18.3
214.71495	2.6
217.05510	3.0
218.68443	2.3
221.05135	6.1
225.02495	6.7
229.05649	6.9
231.03508	37.5
243.03604	6.1
245.05275	3.9
249.04506	2.4
257.01389	5.7
261.04492	3.3
263.06485	3.7
268.06650	2.5
273.04370	2.7
275.02493	98.2
287.02542	40.5
289.07721	9.5
291.05762	4.4
293.03625	25.6
305.03464	13.1
311.04669	3.2
333.06616	6.8
335.04620	8.0
359.04770	7.9
377.05606	10.4
377.09775	3.5
395.06271	11.3
395.11496	69.4
398.96475	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	394.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18805	2.1
55.05492	3.8
57.03435	5.5
61.02911	3.9
68.05016	4.1
69.03439	12.9
69.39384	2.7
69.63309	16.0
70.06594	7.2
71.05017	2.7
73.02934	4.1
73.06564	5.6
79.05502	7.5
81.03419	5.9
84.08133	7.2
85.02920	24.9
91.05496	17.2
94.06576	5.7
95.04976	4.1
96.08149	26.5
97.02894	11.3
98.97601	7.9
100.07620	3.4
107.04980	7.8
112.07626	8.3
114.09187	100.0
116.98593	3.0
119.04964	33.9
121.06482	3.7
123.04454	2.5
127.03924	8.9
135.04448	11.2
137.05998	32.3
142.08640	19.0
145.04955	4.6
146.08173	4.8
147.04431	51.7
149.05957	5.7
151.07561	5.6
160.09711	46.0
167.07091	19.9
177.05511	2.7
179.07059	54.9
197.08182	4.5
199.46066	2.8
219.01657	3.2
227.06981	3.1
268.11838	3.9
272.12918	2.4
280.02313	2.3
286.12860	5.1
304.13971	15.7
394.10254	3.4
394.15976	4.0
394.20828	61.5
395.21085	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	393.2479
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
55.01884	6.4
55.05515	9.1
56.38266	6.3
57.67925	6.0
67.05507	9.3
69.03433	6.6
69.07059	24.7
71.43105	6.3
71.57719	8.6
79.05494	10.2
81.07066	31.2
85.02916	13.7
85.06538	11.8
86.06052	11.4
93.07059	29.4
95.04956	9.5
95.08619	60.9
99.08121	8.3
103.53061	6.2
107.08602	39.1
109.10169	23.5
110.29285	5.9
119.34099	7.2
120.08091	6.5
121.10124	48.3
127.03931	8.6
135.11678	12.8
137.13251	10.2
177.16403	100.0
183.17482	11.7
195.17433	39.0
213.18506	22.4
231.19571	32.9
248.21642	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	393.2484
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.05516	8.8
60.02300	2.8
67.05502	7.0
69.03424	4.4
69.07062	10.7
69.76415	17.5
70.06606	3.6
72.08151	4.2
79.05499	9.6
81.07062	26.3
83.08615	10.1
85.02921	7.4
85.06515	7.2
86.09733	3.1
91.05461	4.4
93.07068	17.7
95.08613	48.6
97.10177	7.7
99.08096	7.3
107.04957	5.2
107.08600	42.0
109.10178	27.5
111.08082	4.1
120.08125	5.4
121.10158	40.0
123.11740	7.8
135.11713	13.4
137.05966	4.2
137.13292	7.7
149.13359	3.3
177.16405	100.0
178.16656	3.1
183.04506	3.6
183.17526	5.4
188.66147	3.1
195.17456	48.7
213.18503	18.9
231.19577	27.8
393.11038	3.2
393.20496	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	393.2483
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
55.05518	5.3
57.07082	5.7
67.05508	7.8
69.03415	4.1
69.07069	11.1
71.05000	4.4
71.56245	3.4
71.56647	3.9
79.05509	7.7
81.07060	30.4
83.08615	9.1
85.02899	6.2
85.06556	8.8
91.05510	3.3
93.07059	16.7
95.08611	49.3
97.10175	5.4
99.08093	5.5
105.07086	3.9
107.08614	35.4
109.10168	19.0
111.08108	3.4
121.10143	42.1
123.11730	5.2
135.11719	11.9
137.13275	7.1
148.80580	3.8
149.13286	5.4
165.16444	4.7
177.16396	100.0
178.16733	3.1
183.17487	11.7
195.17468	51.4
213.18486	15.0
231.19574	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	393.2484
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
50.90519	3.6
55.05498	5.9
57.07072	5.9
67.05488	7.1
69.07056	11.7
70.51549	11.4
79.05492	9.5
81.07057	28.0
83.08622	10.5
85.02908	7.0
85.06516	6.7
93.07064	19.6
95.08611	42.5
95.74850	3.2
97.10184	4.3
107.08599	21.5
109.10175	21.1
118.24328	3.4
121.10153	46.6
123.11703	5.5
135.11690	12.9
137.13214	4.0
139.11166	3.2
145.53711	3.2
149.13152	3.5
177.16414	100.0
178.16660	4.0
183.17384	5.1
195.17474	45.1
213.18414	13.0
231.19554	28.6
382.29187	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	393.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.1
57.03445	4.9
57.07080	32.1
59.76842	0.7
60.18657	0.5
65.03928	0.6
67.05509	9.8
69.07069	6.1
70.69839	1.7
71.08635	24.5
79.05490	1.3
81.07060	17.5
83.08619	10.7
85.06509	0.5
85.09715	1.1
85.10185	14.5
86.20205	0.6
89.06026	0.6
91.05476	0.9
93.07075	1.2
95.08612	23.7
97.10169	4.6
98.98470	61.9
99.11700	0.8
107.08571	0.9
109.10160	10.0
111.11709	1.8
116.99496	1.3
119.08529	0.6
123.11718	4.1
125.13278	0.9
131.08582	0.6
137.13255	2.3
147.10120	0.6
147.11699	0.7
155.01047	100.0
175.76472	0.6
187.24828	0.7
221.22618	0.7
239.23698	6.9
283.82809	0.6
310.85217	0.6
314.49640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53038	2.9
51.05186	2.9
52.31583	2.8
55.05505	8.9
57.07063	6.0
58.82637	3.3
61.02958	3.3
67.05497	9.9
69.07063	14.5
70.51446	10.7
71.04996	4.1
71.18178	3.1
79.05499	10.1
81.07056	29.1
83.08624	8.6
85.02890	5.1
85.06557	8.2
87.21773	3.0
91.05483	3.7
93.07052	21.3
95.08613	51.8
97.10188	7.2
99.08115	7.8
107.08599	30.7
109.10156	22.7
121.10148	38.1
121.10944	5.2
123.11716	6.4
135.11697	8.4
137.13266	9.6
145.01755	3.2
149.13336	5.8
151.14819	3.2
165.16403	2.9
177.16408	100.0
183.17468	8.0
195.17470	44.2
213.18538	13.8
216.08803	8.2
231.19559	31.3
240.08865	6.9
300.10892	4.5
326.18066	3.0
343.69321	3.0
410.29251	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.206
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
53.00317	0.4
55.05499	1.0
57.07072	2.2
60.00991	0.4
65.03943	2.3
67.05510	2.2
69.07075	2.8
70.41518	0.3
71.04901	0.4
71.08606	1.2
71.57259	0.4
71.57677	0.4
73.65029	0.4
79.05483	1.5
81.07057	3.6
83.08614	0.7
85.10186	0.6
91.05469	2.1
93.03400	1.8
93.07060	2.6
95.04962	1.0
95.08618	3.3
97.10184	0.5
98.98484	2.1
105.07021	2.0
107.08586	1.2
109.06490	0.5
109.10151	1.2
114.26983	0.5
117.07042	0.9
119.08599	1.8
121.02881	2.5
121.06494	1.1
121.10142	1.3
123.11708	0.8
131.01282	3.0
131.08554	1.3
133.10127	1.1
135.08047	0.5
135.11702	0.7
137.02258	0.4
143.08563	1.0
145.10139	1.1
147.04428	0.5
147.11742	0.6
149.02345	42.3
149.13208	0.4
150.02670	0.4
155.01060	3.6
155.08624	0.5
157.10146	0.9
159.11723	1.4
161.13188	0.7
163.02684	0.4
163.03853	2.2
163.11185	0.4
167.03406	100.0
168.03781	1.2
171.11674	0.8
173.13297	0.5
177.05481	0.6
177.09007	0.5
189.12924	0.4
191.07048	0.5
217.08543	0.7
231.13937	0.4
269.08093	39.0
270.08438	0.7
273.14926	3.3
283.09647	1.9
307.96600	0.4
325.14490	0.4
337.14297	0.8
393.20575	9.8
393.24686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.0
69.03423	2.7
70.10729	4.3
79.05489	3.4
85.02919	9.6
91.05492	1.9
97.02895	2.0
103.05463	4.4
105.07021	3.3
107.04957	35.0
107.08534	1.2
108.49873	0.9
115.05454	2.0
117.07027	1.5
119.07185	1.0
120.05727	1.5
123.04419	2.5
125.06048	1.0
127.03927	1.3
131.04909	2.3
135.08083	10.7
135.55055	1.1
137.05946	3.1
138.09181	1.1
139.30933	0.9
143.47496	0.9
154.06221	2.0
163.07556	30.0
167.07053	85.9
168.07451	1.0
177.09160	0.9
178.08888	1.0
180.07814	1.8
181.08606	1.7
195.10185	27.3
203.03290	1.0
213.11230	100.0
214.11523	2.2
358.21506	0.9
363.46838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52540	1.2
54.53569	1.2
55.01873	1.4
55.92302	1.0
63.22692	1.1
68.48517	1.1
68.54817	1.2
69.03429	2.5
69.24342	11.8
70.06593	11.1
81.03420	1.7
85.02911	11.1
90.61134	1.2
91.05460	1.9
93.73289	1.5
95.04956	1.7
97.02896	3.0
100.07626	32.6
105.07040	2.6
107.08554	1.5
108.96999	1.2
109.76305	1.1
115.05494	1.5
116.07059	1.7
121.06544	1.9
123.73041	1.3
127.03903	2.1
128.07089	66.8
129.07069	1.2
131.04860	1.1
133.02780	1.5
133.06490	3.3
135.04393	1.5
135.08038	4.5
137.05960	1.4
148.05208	1.7
149.05995	5.0
150.06744	3.6
151.07487	1.9
162.06793	2.2
163.07588	1.8
163.98450	1.2
164.08347	8.0
165.05463	13.6
165.09164	2.1
167.07043	25.9
173.09669	3.0
179.07047	1.8
180.07817	30.7
195.10184	100.0
196.10536	1.2
198.08884	17.2
199.11130	1.8
213.11229	91.8
214.11440	2.1
217.12288	1.7
225.11348	2.3
227.10689	2.4
233.11864	2.6
259.13278	2.3
277.14377	4.9
332.08661	1.2
392.16116	2.1
392.20709	14.4
411.75525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73663	6.2
55.01865	11.3
61.02918	6.4
64.62902	7.1
69.03426	15.8
69.34762	6.1
69.53725	40.7
72.08154	6.0
73.02917	7.9
85.02930	35.0
97.02898	18.9
98.97587	15.5
114.09202	11.2
116.07135	6.8
119.01928	12.1
127.03944	12.8
128.01410	6.1
135.10847	6.1
137.06046	7.8
139.03944	6.8
142.08640	6.4
143.01921	10.2
158.03485	10.5
161.02995	15.8
163.04546	6.1
167.07088	8.7
173.20897	7.5
191.03902	6.3
213.06047	6.5
221.05020	13.2
223.70279	7.4
230.13992	9.8
231.07715	10.1
231.14230	8.9
232.37274	7.4
270.81363	6.4
273.09732	12.0
304.94568	7.4
388.01727	6.9
393.07114	15.1
393.11624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73897	1.4
71.23469	2.7
78.04711	1.6
79.05494	5.4
85.12830	1.4
91.05494	4.4
94.04179	1.8
95.04990	1.7
103.05478	8.8
105.07035	4.0
106.04140	2.4
107.04961	4.5
109.06498	1.6
115.05458	4.5
122.03660	9.6
123.04411	4.2
123.08023	1.8
131.04926	11.3
133.06500	4.2
135.08069	4.2
137.05992	100.0
145.06474	2.9
147.04424	2.1
151.07542	8.6
159.07961	1.6
163.03900	4.5
163.07550	30.9
163.08803	2.7
167.07062	50.5
171.08180	2.4
175.07533	3.5
187.07542	3.5
189.09209	2.7
193.08530	3.1
203.10793	2.2
207.10022	1.7
213.18323	1.5
215.21355	1.7
228.52850	1.5
233.09543	1.7
233.11639	2.1
277.79129	1.4
325.14459	3.1
349.94040	1.4
357.16864	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25679	0.4
53.03930	0.5
57.03433	0.7
61.02916	1.0
67.05496	1.2
69.03437	2.9
69.07058	0.8
70.06590	0.7
70.82925	1.2
71.04987	0.8
79.05495	0.8
80.05010	0.5
81.03410	1.5
81.07055	0.7
82.06575	1.7
84.19904	0.4
85.02911	6.3
85.06560	0.5
87.04465	1.0
91.05464	0.8
93.07044	1.1
94.06576	3.9
95.04953	1.7
95.08585	0.9
96.04513	0.4
96.08150	0.7
97.02914	2.7
97.06522	0.9
99.04482	0.6
105.07024	1.0
106.06569	0.9
108.08109	1.1
109.02869	1.1
109.06525	0.7
110.06038	3.8
111.06829	0.6
111.08072	1.1
112.07566	1.3
113.06023	1.2
117.57980	0.4
120.08092	0.8
121.10124	0.5
122.06041	9.6
122.09676	1.4
123.07928	0.4
124.07583	2.8
127.03914	1.6
131.08586	0.9
133.08948	0.5
134.09656	2.0
135.08005	0.6
136.07590	2.6
136.11235	1.4
138.09137	3.3
139.07539	1.8
140.07076	12.7
142.08687	1.0
145.04973	0.6
146.09673	0.5
148.07581	0.6
148.11206	3.7
149.02298	0.4
149.09616	2.1
150.09143	1.2
152.07040	0.6
154.08646	18.4
156.10193	0.9
158.09714	0.5
166.12299	5.1
167.10667	1.8
168.10199	0.9
173.47818	0.4
176.10738	2.8
177.09129	0.6
187.98901	0.5
194.11789	10.4
212.12851	7.1
228.12332	0.9
229.12453	0.5
230.13884	100.0
231.14380	2.1
254.13809	0.5
280.93872	0.4
356.73428	0.5
392.19312	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50832	0.6
53.03917	0.6
53.93345	0.5
55.05514	0.7
57.03430	1.3
61.02917	1.6
67.05489	1.1
69.03440	3.0
69.07065	1.0
69.58195	4.5
71.04987	1.0
73.02888	0.7
78.63622	0.5
79.05499	0.7
81.03413	2.4
81.07034	1.3
82.06585	1.0
85.02913	5.4
87.04421	0.6
91.05480	1.5
93.07045	1.1
94.06574	2.9
95.04964	2.0
95.08597	0.8
96.08122	0.8
97.02911	2.1
97.06532	1.2
98.21525	1.1
99.04501	0.7
105.07039	0.9
106.06554	0.6
107.08612	0.9
108.08118	2.0
109.02905	0.9
109.06516	2.7
110.06063	4.1
111.08064	1.2
112.07623	1.2
113.06078	0.7
119.19028	0.7
120.08167	1.2
121.06499	1.2
122.06046	8.6
122.09667	1.3
123.04439	0.6
123.08141	0.9
124.07611	3.0
127.03908	1.3
130.08694	0.7
131.08588	1.2
134.09642	1.8
135.04372	1.2
135.08063	1.9
136.07582	2.1
136.11150	1.0
137.05983	1.9
138.09137	4.3
139.07635	3.2
140.07076	11.1
142.08652	0.8
148.11256	3.1
149.09654	3.3
150.09131	2.1
152.07072	1.2
154.08647	19.0
156.10207	1.2
161.08388	1.0
166.12294	5.4
167.07062	1.1
167.10695	6.2
176.10721	3.4
177.09088	0.9
188.03778	0.9
194.11781	22.9
195.10185	1.8
212.12875	7.2
230.13893	100.0
231.14195	2.0
254.13756	0.6
280.83316	0.6
392.19391	1.8
409.66400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.01879	1.3
55.05516	1.3
57.03433	2.3
61.02921	1.7
62.91210	0.8
67.05485	1.0
69.03418	2.3
69.07059	2.7
70.06590	2.1
71.04990	1.0
71.55880	0.8
71.56304	0.9
79.05471	1.2
81.03419	1.2
81.07072	2.0
82.06565	1.4
83.05004	1.0
85.02912	8.8
86.09669	1.3
91.05467	2.5
93.07034	3.5
95.04981	7.2
95.08592	1.3
97.02898	3.1
97.06538	1.5
98.06067	1.4
98.17950	0.7
99.04446	2.9
105.07038	1.7
107.04960	2.0
107.08584	1.4
108.08089	1.3
109.02874	1.2
109.06522	10.1
110.06076	1.3
110.09618	0.8
111.04446	2.2
111.08093	3.4
113.06013	2.4
119.08546	1.8
120.08096	2.4
121.06515	7.9
122.06031	0.8
122.09685	1.2
123.04435	0.8
123.08094	2.3
124.07615	0.8
127.03864	2.0
127.28951	0.8
130.08627	1.1
131.08589	2.0
135.04427	3.2
135.08028	2.3
136.07565	1.1
137.05951	1.9
138.09143	10.2
139.07561	16.2
140.07063	3.4
142.06902	1.1
145.04941	1.0
148.07660	0.7
148.11201	2.0
149.06050	1.1
149.09634	15.1
150.02805	0.8
152.07138	3.5
154.08661	1.4
156.10211	3.0
165.80748	0.7
166.08704	0.9
166.12311	4.6
167.07086	6.3
167.10690	42.0
176.10732	2.4
177.09099	2.2
181.08615	0.8
194.11784	100.0
195.10196	14.7
195.12056	2.0
212.12830	33.6
213.13223	1.0
230.13916	36.5
245.09477	0.8
284.24133	0.9
381.61670	1.0
392.15387	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	392.1859
Annotation	Ancistrolikokine D
Peak:m/z	Relative Intensity
55.01856	0.7
55.19072	0.6
62.25831	0.7
62.53992	0.6
66.05035	0.6
67.05484	1.6
67.56969	0.6
70.45067	0.9
70.45419	1.9
72.09357	0.6
79.05473	1.9
91.04965	0.8
91.05485	9.1
95.04972	7.1
103.05416	1.0
105.03439	0.8
105.06995	1.6
107.04958	21.7
109.06474	0.9
115.05457	15.2
117.07002	1.8
118.04160	1.7
119.04969	4.1
119.08570	0.8
121.06474	1.3
122.03597	0.9
123.04433	8.3
128.06192	1.3
129.06992	2.9
131.04922	2.3
135.04440	1.1
137.04996	1.0
137.05986	13.7
142.07780	5.4
143.04933	25.4
143.08575	0.9
144.05673	1.4
145.06511	4.2
146.03677	1.0
149.02281	0.7
151.07530	4.0
157.10114	3.5
160.05196	6.8
161.06001	4.4
163.06284	1.2
165.06976	2.1
167.08585	1.7
170.07269	3.7
175.07558	21.3
178.08719	7.5
179.08543	1.8
181.10103	1.2
185.09628	9.5
191.08556	10.2
192.09308	9.5
194.07314	0.8
195.07962	1.2
198.06645	0.8
207.08058	1.8
209.09641	3.2
211.07526	3.1
213.09113	100.0
214.09421	2.5
219.08052	8.2
220.08908	5.5
221.09598	1.8
224.08336	1.2
227.10579	3.8
235.07527	1.5
237.09099	19.7
237.11377	1.4
239.10645	0.8
251.10587	3.2
252.11475	29.2
253.11964	0.9
315.13806	4.4
338.07516	0.8
343.13437	4.4
345.11206	1.0
360.13654	2.4
375.15930	56.2
376.16336	1.7
392.18585	86.9
393.18878	3.6
411.01852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2328
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
50.49802	7.8
54.50581	6.5
60.54947	6.9
67.05489	14.9
69.07053	9.8
69.29916	7.0
70.13593	23.9
71.08624	7.6
81.07052	16.8
85.02870	7.4
85.06575	7.4
91.05470	10.2
93.07012	8.5
95.08640	40.5
107.08543	9.0
109.10156	17.5
119.08643	7.4
137.13298	8.3
149.02322	19.2
163.14804	7.7
175.14838	18.3
178.08673	8.9
181.15871	16.6
191.07132	7.2
193.15898	16.1
202.22870	7.0
211.16945	100.0
218.92491	8.4
391.17395	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2325
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
63.91096	5.4
67.48373	5.7
69.25793	52.1
71.04974	9.5
79.05477	5.3
81.07069	24.5
83.05002	7.0
85.06556	6.2
91.05489	7.2
93.07049	10.6
95.08590	22.2
98.20686	11.4
99.08073	6.4
105.06996	6.2
107.04932	7.3
107.08612	30.3
109.10168	7.6
119.08567	17.7
120.08876	8.7
123.11684	12.0
133.10129	20.6
134.10445	14.8
135.11664	33.9
149.02341	21.9
150.33531	6.1
151.11290	6.1
163.14851	62.7
167.06999	9.6
167.14395	5.5
173.05952	5.0
175.14809	25.0
176.15184	18.5
181.04970	4.7
181.15881	8.2
192.73158	5.6
193.15877	14.2
211.16933	100.0
212.17297	8.7
267.66803	5.5
278.74152	5.2
297.05014	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	391.2327
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.05515	8.1
55.14257	5.3
61.02919	6.8
67.05512	18.3
69.03451	15.3
69.07085	9.6
70.62167	10.4
70.62515	9.1
71.04989	7.9
71.08604	6.3
77.45278	5.0
79.05509	11.8
81.03415	13.8
81.07061	26.9
83.04991	13.6
83.08627	6.6
85.02925	31.5
85.06522	7.8
85.18864	6.0
91.05497	19.9
93.07050	27.0
95.04971	15.4
95.08607	45.5
99.08106	62.4
105.03447	5.9
105.07039	39.9
107.04977	18.8
107.08594	68.7
109.02948	6.4
109.10171	18.5
111.08125	7.9
113.09679	6.4
119.08606	72.4
121.10186	21.6
123.04485	7.7
123.11717	17.2
125.09641	5.8
127.03936	7.8
129.06996	5.8
131.08589	7.2
133.10149	100.0
135.11707	47.2
137.06024	8.6
137.09628	9.8
141.82484	5.8
147.11678	18.3
148.34560	5.4
149.02333	30.8
149.13249	11.1
156.08815	6.9
157.07671	12.4
163.14839	86.7
167.07117	8.6
173.13312	16.1
175.14851	81.8
181.15857	35.3
191.14316	13.5
191.23386	6.4
193.15916	58.2
199.16966	22.9
199.59633	5.9
209.15410	16.5
211.07462	16.3
211.16982	93.9
213.09149	13.0
229.08498	36.3
229.12775	9.1
229.18001	76.0
295.92886	5.5
355.62558	6.6
391.08093	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	391.2326
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.26878	2.0
55.05510	2.9
56.19059	2.3
67.05504	6.2
67.60202	2.3
69.07071	4.3
71.31303	4.6
71.68559	2.0
72.70861	2.3
79.05482	5.5
81.03426	2.8
81.07076	10.7
83.08582	2.3
85.02898	6.5
85.06541	3.7
91.05486	20.6
93.07063	13.3
95.04972	4.2
95.08594	15.1
99.08096	18.1
105.03392	3.4
105.07030	8.9
107.04953	14.5
107.08586	20.0
109.10143	9.2
115.05466	3.1
118.06544	17.6
119.08579	17.8
121.10165	6.5
123.04417	3.0
123.11743	4.5
129.07022	2.9
131.04924	5.3
133.10144	33.4
135.11699	12.2
137.05957	4.9
137.09602	6.0
138.09158	2.7
143.04929	8.2
146.03622	2.3
146.06013	31.8
147.68459	2.2
149.02321	6.7
151.07529	9.4
161.05919	2.9
162.06593	3.0
163.06296	11.7
163.14810	37.5
163.16096	3.3
164.06555	3.6
167.10651	3.3
175.07579	3.3
175.14833	23.9
176.06985	2.6
177.07834	4.6
178.08650	100.0
179.08974	26.9
181.15871	8.0
191.08569	2.8
193.15895	17.9
194.11748	10.6
195.08150	3.4
195.10028	3.4
199.07510	4.5
199.16946	6.2
207.08035	3.1
208.08759	3.0
211.07530	9.1
211.16922	26.9
212.07892	6.6
212.12971	3.0
213.09111	37.9
214.09511	2.8
224.08311	4.3
227.10684	6.5
229.18007	27.9
230.14009	3.3
236.08177	2.3
237.09064	2.7
241.10947	6.8
297.53741	2.2
362.15045	11.9
391.17755	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
54.48220	0.8
60.26423	0.7
61.02919	1.9
65.96222	0.7
67.05495	1.9
68.05017	1.4
69.03432	6.3
69.07069	4.4
69.73486	4.7
70.06590	1.0
71.04983	0.9
73.02919	1.5
79.05499	1.6
80.05036	1.1
81.03419	2.8
81.78552	0.8
84.04514	1.7
84.05047	0.7
84.08114	1.2
85.02914	12.7
87.04471	2.1
91.05485	1.8
93.05772	0.7
93.07019	1.2
94.06082	0.8
94.06589	7.4
94.21159	0.8
95.04948	2.1
95.08594	1.2
97.02912	5.2
97.06532	0.8
98.09694	1.7
98.97569	0.9
99.04449	0.9
107.04966	1.2
108.08127	1.0
109.02874	1.8
109.06499	1.6
110.06041	5.2
111.08180	1.3
112.07603	3.1
119.08617	1.1
120.08123	1.0
121.06503	2.4
122.05160	1.7
122.06042	34.2
123.04457	4.1
123.08105	1.3
124.07612	4.2
127.03926	3.3
136.07568	2.7
136.11269	0.9
137.06013	1.5
138.09145	1.3
139.07552	2.2
140.07077	70.7
141.07344	1.1
142.08647	5.0
144.10278	0.9
145.04962	1.8
146.09650	1.6
147.08061	1.7
148.07579	1.2
149.09695	1.1
150.09114	0.8
151.07576	1.1
152.07036	1.2
154.08646	13.5
157.83832	0.9
161.29724	0.8
164.10713	2.2
165.05501	3.0
165.09125	1.6
166.08665	1.1
166.61879	0.7
167.07025	2.8
168.06615	1.4
174.09169	1.3
180.07771	4.9
182.11818	2.8
191.33687	0.7
192.10199	3.6
193.08572	2.1
197.08217	1.2
210.11249	11.9
228.12321	100.0
229.12738	1.6
229.15327	0.8
233.50351	0.7
243.07816	0.9
273.00385	0.8
390.07187	1.0
390.16870	2.5
397.53876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
52.03178	7.4
55.01863	34.2
65.03941	10.2
67.05508	10.3
69.03446	19.8
69.07072	8.7
71.04976	16.8
81.07059	24.1
83.05015	10.3
85.02917	36.1
91.05491	15.6
93.07046	16.0
95.04977	26.3
95.08607	11.4
97.06539	29.6
98.21576	12.5
99.04474	66.3
103.05490	8.7
105.07027	17.2
107.04958	13.0
107.08624	15.8
109.02865	9.1
109.06541	43.4
109.10166	17.7
119.08568	12.9
121.10153	17.0
123.04449	11.7
123.11697	13.5
126.17269	7.7
128.59137	7.8
129.07042	9.4
131.04941	10.1
131.08554	9.3
133.10101	50.9
137.06001	35.0
139.11246	9.8
140.63309	9.1
141.07208	8.5
147.11638	20.7
149.05939	11.8
149.13223	9.4
153.09111	11.8
157.93484	7.8
165.86092	8.7
167.07065	43.4
169.12280	11.6
173.13275	23.5
175.07545	22.9
177.05441	47.0
181.04964	100.0
183.13828	21.6
191.14346	30.9
209.08055	58.3
209.15417	71.4
227.16388	58.2
389.15897	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1549
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
50.62253	0.8
56.05032	3.3
58.06612	7.2
59.13041	0.9
60.04525	1.5
64.89394	0.8
65.03937	2.0
67.05514	1.2
68.05045	7.5
68.99796	2.7
69.03439	1.2
69.71592	4.2
69.72002	2.2
70.06589	4.8
72.08132	1.9
74.06096	5.7
76.63644	0.8
79.05117	1.0
79.05506	10.9
82.06591	7.6
83.07368	1.3
84.04499	1.2
84.08160	1.1
85.02902	1.3
91.05477	3.4
93.03425	6.0
93.07030	1.5
94.06565	1.7
95.04984	2.4
96.08157	2.3
97.02876	1.7
98.21643	1.2
100.07639	16.5
103.05504	1.7
105.07035	4.9
107.04955	2.0
109.06537	0.9
115.05466	1.8
117.07040	1.1
119.04955	5.0
121.02893	1.0
122.06016	2.1
123.04448	32.0
124.07613	6.4
125.02346	2.9
127.03864	1.0
133.06505	7.7
135.04419	9.7
137.06009	2.2
137.63258	1.0
139.03909	3.8
140.07079	1.5
145.02861	1.8
147.03349	1.7
147.04414	13.6
150.05467	1.0
150.09135	1.7
151.03920	3.9
153.05484	6.5
161.06004	62.9
162.06364	1.7
163.03922	35.2
163.07552	1.5
165.05507	22.1
165.09120	3.0
167.07004	1.1
169.03084	0.9
173.05984	2.6
174.03123	1.4
174.09134	1.4
175.03909	2.0
175.07574	1.8
177.05487	27.0
178.08765	1.6
179.07022	3.6
185.18004	0.9
189.05493	27.6
191.07014	5.5
192.10313	1.3
193.08696	1.2
201.05469	2.0
202.08675	11.3
203.07059	1.1
207.06630	1.4
211.09750	1.8
220.09720	65.0
221.09976	1.7
222.11189	1.3
228.12355	4.8
231.08900	4.1
232.09669	5.0
238.10770	100.0
239.11147	2.0
313.61972	1.0
323.09174	1.7
341.10233	5.9
354.13446	5.2
372.14471	53.5
373.14804	1.7
377.21820	1.0
390.15485	71.0
391.15887	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	389.217
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
69.07064	18.5
70.89019	41.2
81.07044	34.8
91.74886	16.1
91.98853	16.3
93.07061	23.2
95.08614	34.3
99.08044	17.2
107.08591	60.3
109.06512	15.4
121.10162	34.7
123.08099	23.2
131.08589	18.1
133.10170	30.1
134.89952	16.1
140.85963	14.9
149.09641	67.0
149.13264	17.9
151.11171	24.9
163.14845	31.5
173.13358	30.2
191.14287	81.6
193.84435	15.6
200.92328	14.7
209.15346	100.0
292.93954	14.1
322.65137	17.7
381.18582	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	389.1595
Annotation	Renealtin B
Peak:m/z	Relative Intensity
53.03945	2.3
55.01627	3.0
55.01880	39.2
65.03938	10.7
66.27638	1.8
67.05496	7.7
69.03420	2.6
69.92606	10.8
72.14355	2.0
79.05496	7.7
81.03391	3.8
81.07064	5.1
82.04214	3.2
85.02913	7.7
91.05473	5.7
93.03412	3.2
93.07058	2.4
94.04202	2.8
95.04967	7.8
95.08569	2.3
96.49934	2.3
97.06537	6.0
103.05482	16.7
105.03384	2.3
105.07024	4.6
107.04971	10.7
109.02871	4.1
110.03671	3.9
111.04440	2.1
115.05450	4.6
117.07032	3.4
119.04948	8.8
121.06494	6.4
122.03716	2.4
123.04433	100.0
125.06003	3.2
129.07008	7.2
129.93613	2.1
131.04936	22.1
133.06525	2.9
135.04453	3.6
137.05997	36.4
138.02988	2.2
139.03920	32.9
142.02617	3.2
143.04951	4.4
145.06538	4.9
147.04424	28.3
149.05997	12.9
151.03918	42.3
153.05453	4.9
157.06522	6.4
159.04536	2.2
159.43207	2.2
160.05244	3.8
161.05984	16.5
163.03931	5.9
163.07602	8.3
165.05493	21.0
167.07021	23.7
171.06531	7.4
173.06027	16.1
174.06784	3.6
175.07590	13.6
176.04764	3.3
177.05473	50.6
179.07042	5.8
181.04967	93.4
181.08524	4.3
183.06552	2.6
185.66327	2.2
189.05508	3.2
189.09099	8.6
191.07039	5.8
193.04988	2.4
193.08627	50.7
198.44864	2.0
205.08714	5.1
207.06500	10.7
209.08098	57.4
209.61642	2.2
217.08589	7.0
219.10129	22.4
235.09734	2.8
237.11211	5.8
248.08264	2.8
277.08600	6.5
285.07748	4.3
291.08722	4.1
303.08508	5.2
309.11200	3.3
311.09186	2.6
327.12372	4.8
329.10376	12.0
329.13678	3.2
339.12234	8.1
341.13684	3.9
345.13312	25.5
353.13885	8.5
359.14743	3.9
360.03741	2.3
366.64310	2.3
371.14914	20.8
389.15964	49.2
402.37408	2.8
405.11197	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	389.1596
Annotation	Renealtin B
Peak:m/z	Relative Intensity
50.35043	1.0
53.03935	1.3
55.01868	3.8
55.05503	3.7
57.03437	2.5
60.84552	1.0
65.03919	1.4
67.05491	4.0
67.55307	1.0
69.03433	1.7
69.07059	3.7
71.05016	1.3
71.36269	1.3
71.36610	1.6
74.57728	1.1
79.05476	1.9
81.03423	1.9
81.07046	5.4
83.08634	2.4
85.02885	1.7
91.05483	4.3
91.88414	1.1
93.07056	2.3
95.04971	5.6
95.08597	3.5
97.02912	2.0
97.06544	3.9
99.04495	1.8
100.11247	1.9
105.07040	2.4
107.04939	1.7
107.08598	1.1
109.02866	4.0
109.06586	1.6
109.10094	1.5
111.04446	2.5
113.05920	1.1
119.04933	7.6
121.10140	1.9
121.92108	1.1
123.04435	100.0
124.04774	1.7
125.06033	1.4
127.03954	2.3
133.10158	2.1
135.04416	2.6
137.05965	3.4
137.13248	4.6
139.03918	27.3
139.07507	1.6
139.11151	1.1
143.04941	4.1
145.10179	1.4
146.59998	1.1
147.04414	34.4
147.08112	1.6
147.11725	1.2
149.05997	3.4
151.03918	44.0
151.07683	1.2
153.05510	1.2
157.06499	1.3
157.07642	1.2
159.04362	1.6
161.05963	10.9
163.03941	5.7
165.05492	17.4
167.07043	2.6
169.04971	1.9
173.05997	16.6
173.13203	1.1
175.07552	1.9
176.04683	3.8
177.05479	13.3
179.07002	5.0
181.04929	5.5
181.08638	3.2
182.15327	1.3
184.61320	1.2
189.05521	4.0
191.07025	4.4
191.14380	1.8
193.05028	1.4
193.08624	44.7
203.06949	1.2
203.10745	1.1
205.08571	4.3
207.06558	12.1
207.10013	1.3
209.15230	2.4
210.14891	1.6
219.10179	18.4
227.16418	8.2
231.10127	1.7
237.11171	9.1
249.11134	2.6
253.87033	1.3
273.07648	1.3
285.07687	2.4
291.08646	5.2
303.08578	8.2
311.09116	2.3
327.12302	5.3
329.10153	14.2
345.13333	25.8
353.13742	4.6
371.14935	15.1
389.16068	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	389.1443
Annotation	Syringoxide
Peak:m/z	Relative Intensity
54.44374	12.4
61.29442	9.0
64.22396	8.6
67.05514	16.7
69.03435	13.9
69.87309	9.2
70.06614	12.9
71.05009	17.9
71.26218	19.5
73.02919	20.8
79.05513	14.9
81.07066	24.7
85.02934	48.9
86.09725	34.9
91.05482	19.8
93.07054	26.5
95.04987	85.6
95.08620	20.1
97.02903	17.9
99.04467	32.5
105.07038	24.5
107.08605	23.8
109.10177	38.7
119.08637	12.5
121.10160	27.9
123.04502	15.9
123.11717	15.8
124.07632	24.2
125.05939	11.5
127.03912	15.1
133.10138	78.6
140.04680	31.8
151.03905	11.0
151.11197	15.1
153.09122	44.2
155.07036	70.5
169.12299	12.0
173.13269	23.4
178.08647	73.7
181.05035	57.2
191.14325	33.6
209.15393	87.7
227.09125	100.0
227.16360	23.0
228.12357	40.2
389.18002	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44374	12.4
61.29442	9.0
64.22396	8.6
67.05514	16.7
69.03435	13.9
69.87309	9.2
70.06614	12.9
71.05009	17.9
71.26218	19.5
73.02919	20.8
79.05513	14.9
81.07066	24.7
85.02934	48.9
86.09725	34.9
91.05482	19.8
93.07054	26.5
95.04987	85.6
95.08620	20.1
97.02903	17.9
99.04467	32.5
105.07038	24.5
107.08605	23.8
109.10177	38.7
119.08637	12.5
121.10160	27.9
123.04502	15.9
123.11717	15.8
124.07632	24.2
125.05939	11.5
127.03912	15.1
133.10138	78.6
140.04680	31.8
151.03905	11.0
151.11197	15.1
153.09122	44.2
155.07036	70.5
169.12299	12.0
173.13269	23.4
178.08647	73.7
181.05035	57.2
191.14325	33.6
209.15393	87.7
227.09125	100.0
227.16360	23.0
228.12357	40.2
389.18002	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	Simulanol
Peak:m/z	Relative Intensity
55.01873	27.6
55.05507	5.0
62.04437	2.2
65.03934	7.9
66.83453	2.2
67.05514	7.6
69.03436	5.3
69.07063	2.5
70.25340	8.8
72.08147	9.4
73.58092	2.9
74.57581	2.1
79.05504	7.8
81.03419	3.0
81.07069	4.2
82.04173	2.6
85.02920	7.7
91.05469	12.5
93.03438	4.1
93.07042	4.3
93.92008	2.2
94.04174	2.8
95.04984	13.1
95.08598	5.0
97.06541	5.6
98.20792	2.6
99.04467	4.5
103.05449	16.3
105.07060	4.8
107.04935	12.5
107.08610	2.5
110.03663	4.0
110.88190	2.5
111.04443	7.4
115.05474	4.4
117.07021	5.4
119.04966	2.8
121.06522	6.4
122.03650	5.1
123.04463	19.1
123.08073	3.0
124.05202	2.9
125.05984	4.8
125.11813	2.4
129.07024	16.7
131.04936	18.8
131.08592	14.7
133.10199	3.7
135.08090	2.7
137.05992	53.2
138.03079	3.6
139.03949	7.4
140.04755	4.2
141.06995	9.5
142.02739	2.7
143.08574	2.5
144.05760	2.8
145.06467	7.6
147.04359	3.0
149.05995	8.6
151.03944	8.3
151.07590	11.2
153.05481	4.3
157.06487	18.4
158.07248	4.0
159.08092	9.4
160.05223	8.2
161.06012	6.4
163.03882	2.7
163.07581	6.6
165.05492	4.5
167.07086	26.2
169.06490	4.6
171.06578	10.9
174.06776	26.0
175.07568	34.3
177.05473	22.6
181.04977	68.2
181.06538	4.8
183.06561	17.9
186.06836	6.3
187.07590	6.6
188.08331	5.4
189.07318	5.3
189.09105	42.6
191.08640	2.2
191.10646	4.6
193.08488	2.6
195.10205	5.7
201.09088	20.0
203.08571	3.3
205.06638	4.2
205.08578	5.3
206.07242	4.1
207.06493	2.8
209.08107	36.7
217.06508	6.3
217.08562	5.3
218.07265	7.8
219.08153	6.6
219.10162	100.0
220.10605	4.3
221.07973	5.6
227.16501	4.9
231.07939	3.3
233.06146	3.1
233.09660	5.5
234.06703	7.7
235.07507	4.7
235.09824	3.1
236.08357	3.6
237.09177	4.1
246.06720	3.6
247.07605	5.9
248.08321	5.4
249.09233	14.7
253.08659	3.2
261.09189	9.7
263.07092	7.0
263.10785	3.4
263.35733	2.6
264.07523	2.3
265.08713	6.1
270.08963	2.9
277.08597	27.3
278.09256	6.2
279.10236	6.7
281.11725	4.1
289.08636	3.0
291.10205	7.2
293.08450	3.6
293.11755	10.6
307.09805	5.3
309.08069	2.7
309.11267	9.9
311.12772	6.9
321.11182	7.0
327.12317	3.7
339.12311	37.2
340.69907	2.4
341.14035	3.7
353.13837	3.2
357.13510	3.4
371.10605	2.7
371.15002	39.9
389.11771	3.2
389.16058	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
55.05499	2.9
59.39610	2.9
63.37653	2.8
67.05488	7.9
69.07056	9.4
71.04982	12.6
71.57728	4.3
79.05495	4.9
81.07048	7.1
83.08615	3.4
85.02899	4.4
85.06543	5.5
91.05473	11.8
91.40136	2.7
93.07034	11.4
95.04968	5.1
95.08603	9.4
97.06551	20.6
99.08035	3.3
103.05468	3.2
105.07021	13.9
107.08605	16.5
107.09198	2.9
108.08872	2.9
109.06483	4.9
109.10173	6.0
111.08057	3.4
115.05479	4.6
119.04926	8.3
119.08569	8.1
121.06475	4.9
121.10143	18.4
121.25336	2.8
123.04443	100.0
129.06992	3.0
131.04956	3.1
131.08589	5.6
133.09145	2.8
133.10139	56.8
135.08005	9.2
137.05977	9.6
138.06305	3.4
139.03915	35.5
143.04910	4.6
145.10129	5.8
147.04430	31.0
147.11693	9.0
149.05963	3.8
149.13277	6.3
151.03917	41.6
151.07414	2.9
161.05988	7.9
163.03896	8.4
163.14780	6.1
165.05521	18.7
167.07030	12.4
168.07396	6.0
173.05971	14.9
173.13261	13.0
174.13953	3.5
175.07593	4.9
177.05501	16.5
179.07039	3.6
181.04971	10.8
189.05501	6.6
191.07005	3.5
191.14325	50.5
193.08617	50.9
205.08760	4.5
207.06445	13.9
209.07924	4.7
219.10121	20.3
237.11279	7.5
255.06732	3.3
258.43280	2.9
291.08658	4.3
303.08624	8.9
329.10175	14.3
345.13419	28.0
371.14957	14.0
388.08057	26.6
388.14365	15.6
389.15936	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	387.2533
Annotation	Atranone E
Peak:m/z	Relative Intensity
50.06497	2.1
53.03925	3.7
55.05514	12.5
57.07068	3.9
65.03925	2.8
67.05508	19.0
69.07077	20.3
71.29597	3.7
71.29948	3.5
75.15680	2.3
79.05502	21.4
81.07064	56.4
83.04958	5.9
83.08598	5.6
85.06528	2.9
91.05491	23.3
93.07058	38.4
95.04957	4.7
95.08614	30.6
97.02850	2.8
97.06534	8.2
97.10175	6.6
105.07040	40.6
107.04981	2.8
107.08602	35.4
109.02834	2.4
109.06506	8.3
109.10186	18.0
111.04440	3.4
114.38007	2.4
117.07001	9.4
119.08592	29.1
121.06530	3.4
121.10169	23.1
123.11726	14.6
125.06007	29.4
129.06985	7.7
131.08569	17.0
133.10141	24.0
135.04393	3.4
135.08083	3.6
135.11700	36.2
137.05988	6.7
137.09578	3.1
137.13240	6.2
139.07506	4.0
141.06990	4.0
143.08580	13.3
144.09225	2.8
145.06477	5.5
145.10124	27.9
147.07990	3.0
147.11652	17.3
149.06053	4.2
149.13269	12.6
151.07567	4.3
151.11192	6.6
152.44107	2.5
155.08521	6.8
157.10182	14.7
159.08083	3.1
159.11731	21.2
161.09642	6.4
161.13289	24.3
163.11165	3.2
163.14842	8.8
167.07002	3.2
169.10139	9.9
171.11726	16.5
173.13304	16.8
175.11252	3.6
175.14848	15.2
179.10710	3.2
181.09998	2.7
181.12222	3.1
183.11719	9.5
185.13252	8.7
187.11177	5.8
187.14819	9.3
189.12759	4.5
189.16415	2.6
197.13272	8.2
199.11076	2.6
199.14824	11.2
201.16368	7.3
203.10634	2.7
205.12289	17.6
207.13777	15.1
211.14777	5.1
213.16373	8.6
215.17957	3.2
217.12111	3.1
225.16399	9.2
227.18005	5.8
233.11806	3.2
239.17989	5.9
241.19449	5.0
243.21336	2.7
253.15724	2.4
253.19473	22.4
255.21144	4.0
259.16919	3.1
261.15994	3.0
277.09064	2.4
285.18451	6.4
285.57449	2.6
289.21643	4.0
295.24228	30.5
297.25751	37.2
299.20184	15.4
313.25275	10.7
323.23822	12.1
341.24796	100.0
342.25211	3.6
351.23117	4.9
369.24310	15.3
387.25317	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	387.2532
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
53.03955	1.3
55.01880	0.9
55.05506	3.7
64.10613	0.9
67.05506	7.6
69.07079	13.7
70.68855	2.7
72.26463	0.9
79.05505	8.6
81.07063	14.9
83.08649	2.1
85.02898	1.9
87.07066	0.8
90.26503	1.0
91.05485	13.0
91.68739	0.8
93.07051	15.5
95.04980	1.2
95.08620	14.0
97.06532	2.7
97.10154	1.5
103.05461	1.0
105.07035	22.9
107.04964	2.4
107.08596	13.0
109.06499	2.2
109.10156	4.7
111.08105	1.2
117.07021	6.1
118.36964	1.1
119.08587	16.3
121.06521	1.7
121.10152	9.8
123.08098	2.0
123.11716	2.0
125.06022	6.3
128.06259	1.2
129.07018	3.3
131.08569	9.2
133.06519	1.0
133.10153	11.5
135.08058	2.4
135.11707	5.7
137.05959	2.6
137.09639	1.1
141.06993	1.8
142.07817	1.6
143.08623	7.7
145.10136	13.5
147.08089	1.0
147.11707	10.3
149.09631	6.7
149.13252	4.3
151.07555	2.0
154.07751	1.2
155.08598	4.5
157.10170	6.2
159.11716	7.1
161.09634	7.1
161.13254	14.1
163.11200	6.8
163.14833	5.0
165.09138	1.1
167.08525	1.1
167.10687	2.3
169.10126	3.6
171.11717	4.1
173.09615	1.9
173.13269	17.4
175.11188	2.2
175.14824	2.7
179.10715	2.4
181.10139	4.0
181.12215	4.8
183.11687	4.9
185.13297	3.1
187.14824	1.5
189.12833	2.8
191.10655	1.1
194.15817	0.9
195.11760	5.0
197.11723	1.2
197.13339	2.5
199.14819	3.1
201.12801	2.1
201.16243	1.1
205.12291	2.6
207.11874	1.8
207.13847	4.4
209.13277	3.1
211.14911	2.9
213.12772	1.6
213.16367	1.3
215.17871	0.9
219.13979	1.1
221.13301	2.2
223.14851	3.1
225.12926	1.4
225.16423	2.8
227.14410	3.3
231.13893	1.4
235.14769	2.7
237.16499	3.6
239.14388	1.2
239.17633	1.2
241.15974	1.8
243.17590	1.5
245.15440	3.1
249.16472	2.0
251.17970	1.6
253.15836	1.7
255.17566	2.6
259.16968	3.9
267.17471	2.5
270.31204	1.1
271.16977	4.6
273.18542	3.6
281.22504	1.2
285.18552	1.7
303.37540	0.9
305.22571	7.4
307.24258	5.3
313.21597	1.5
319.19122	3.1
323.23755	12.6
325.25278	4.1
331.19025	1.9
341.24780	53.3
342.25064	1.6
343.26431	2.2
351.23242	3.2
359.25861	2.1
369.24277	6.4
387.25333	100.0
388.25662	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03941	2.1
53.65362	1.7
53.68222	1.7
55.05510	10.0
57.03428	6.3
61.02918	4.1
66.06628	1.8
67.05505	4.4
69.03432	23.4
69.07082	3.3
69.50862	8.3
69.51279	3.6
70.06588	2.7
71.04989	4.4
73.02922	8.8
78.04704	2.7
79.05489	3.1
81.03420	9.2
81.07054	7.8
83.04980	20.4
85.02907	52.2
86.03243	4.4
86.09692	2.8
87.04456	3.6
91.03952	3.1
91.05458	3.3
93.07022	6.3
94.79885	1.6
95.04945	11.3
95.08595	4.8
97.02902	13.7
98.03204	1.8
99.04446	7.8
104.58854	1.9
105.07044	6.7
107.04964	2.5
107.08569	8.1
109.02883	6.3
109.06493	4.1
109.10169	9.3
111.08103	1.9
115.03918	5.6
116.04272	2.8
119.08582	6.5
121.06513	4.6
121.10139	6.8
123.04429	6.8
123.08070	12.9
123.11727	19.3
125.05981	5.1
125.09623	4.8
127.03917	9.1
131.08565	3.8
133.05009	1.8
133.06436	2.1
133.10155	3.6
135.08028	5.4
137.05968	2.9
137.09668	3.9
139.03937	2.6
145.04942	9.0
145.10104	2.0
146.05354	2.2
147.11696	3.7
149.09602	7.6
151.07564	5.7
153.09149	2.8
163.06097	3.8
163.11218	4.1
165.09174	2.1
165.12744	6.3
167.07048	100.0
177.12698	2.0
189.12715	6.0
193.08731	3.2
194.11702	2.2
195.13780	4.0
207.13812	20.1
211.09599	3.4
220.99004	1.9
221.02705	1.7
225.11208	4.7
225.14851	45.8
369.19623	2.0
387.16174	87.2
387.20273	10.4
388.17007	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	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09587	0.9
53.03942	3.6
55.01875	2.9
55.05513	7.7
57.03426	3.3
57.07082	1.8
61.02921	3.5
65.03939	1.2
67.05497	3.6
67.15551	1.0
69.03439	11.4
69.07086	1.6
71.04993	2.3
71.56571	1.5
77.03931	1.3
78.04726	3.6
79.05498	18.0
80.03549	1.1
81.03419	6.3
81.07077	6.3
83.04985	4.3
83.08620	11.1
83.70515	0.9
85.02913	10.9
87.04468	1.5
89.06036	3.2
90.06403	1.7
91.04966	1.7
91.05488	13.8
93.07053	6.5
94.04173	1.5
95.04978	43.4
95.08605	4.0
97.02898	9.2
97.06542	3.6
99.04478	4.6
103.03951	2.1
103.05473	27.5
104.06267	1.5
105.07039	36.1
106.04208	1.8
107.04967	26.6
107.08604	16.0
108.05766	3.0
109.02911	2.1
109.06515	5.0
109.10184	2.4
111.04465	4.3
111.08083	3.1
115.05470	10.5
117.07033	8.4
118.04153	1.1
119.04958	5.0
119.08578	5.3
120.05768	1.1
121.02798	1.1
121.06503	11.8
121.10146	5.6
122.03674	2.3
123.04439	8.5
123.08068	18.8
123.11706	1.6
124.05190	5.5
125.06006	4.4
125.09658	7.7
125.60728	1.1
127.03933	2.6
128.06250	2.3
129.07036	2.8
130.07822	1.4
131.04936	34.2
131.08588	3.2
132.05751	2.4
132.81001	1.1
133.06505	31.8
133.10210	2.4
135.04424	1.9
135.08070	9.6
135.11725	1.7
136.05188	2.2
137.05988	22.8
137.09641	3.2
139.03934	5.0
139.07608	1.9
139.11201	1.2
141.07022	3.2
143.04924	2.7
143.06009	1.9
143.08562	3.8
144.05785	1.6
145.06505	13.9
145.10167	4.9
147.04404	9.4
147.08038	2.9
147.11708	2.2
149.06001	8.1
149.09628	5.8
151.03920	3.3
151.07562	21.9
152.04622	2.3
153.05499	2.9
153.09120	3.1
155.06050	1.1
155.08498	1.8
155.10699	4.0
156.05727	2.9
157.06523	4.2
157.10158	3.1
158.07268	1.7
159.08040	1.9
159.11705	2.6
160.05162	2.8
161.05995	36.5
161.09631	2.5
163.03909	3.7
163.07552	60.9
163.11252	2.1
165.05528	2.5
165.06970	1.6
165.09145	6.8
165.12688	1.6
166.06248	1.8
167.07053	100.0
167.10764	3.1
168.07338	1.3
171.08110	1.6
171.11748	1.6
172.05215	1.9
173.06003	8.5
173.09700	3.1
174.06769	1.4
175.07521	7.1
175.11223	1.5
177.05556	3.5
177.09134	9.6
178.06250	1.7
179.07051	12.0
179.10626	2.4
181.05022	2.4
181.08592	21.3
181.12268	3.1
185.09697	1.2
185.13287	4.5
187.07547	9.3
187.11192	1.8
189.09171	3.9
189.12746	3.5
191.07025	1.8
191.10699	4.6
192.07770	1.9
193.08621	73.2
194.08969	1.1
194.39708	1.2
195.11746	3.1
195.13588	1.2
201.09113	3.7
202.07849	2.8
203.06950	1.5
203.08591	6.5
203.10542	1.7
205.08611	8.6
207.10172	1.9
207.13866	11.7
207.15808	2.2
208.16325	4.4
213.12720	2.0
215.10626	1.9
217.08571	5.6
218.09370	1.2
219.08124	1.7
219.10252	3.1
220.08943	2.3
221.11810	1.9
223.13300	4.1
225.14832	5.6
231.08009	6.6
231.13808	7.0
232.08736	1.7
233.08055	1.2
233.11678	5.5
235.11264	1.5
235.13356	2.0
237.14960	2.0
245.09599	2.0
248.08347	3.3
249.09148	1.4
249.14874	34.4
259.07614	2.0
261.14969	3.4
262.10541	2.2
263.10706	7.4
267.15945	3.0
273.15036	1.8
279.16110	3.0
280.10953	2.3
290.09879	1.1
291.10217	6.8
291.15820	9.1
293.13989	1.7
295.10385	1.1
295.13214	5.8
303.16092	1.6
305.11664	1.4
308.10498	1.3
315.15900	1.4
323.12756	12.9
324.13229	1.8
333.16943	2.1
337.14188	1.4
351.18079	9.1
355.15405	35.9
355.19904	1.9
369.19012	1.7
387.14133	1.9
387.18100	16.2
388.18875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
50.32606	1.7
53.03941	5.0
55.01869	3.4
57.03429	2.7
61.02936	2.0
67.05511	7.2
69.03139	2.4
69.03439	26.2
70.06599	54.3
70.54293	6.2
71.04996	3.3
71.06919	11.9
79.05490	3.8
81.03405	7.4
81.07069	19.2
83.04977	3.0
85.02914	100.0
88.03233	1.8
91.05495	4.2
93.07044	5.4
95.04999	2.2
95.08607	7.4
97.02888	10.7
99.04458	6.1
105.07053	11.6
107.08610	5.0
109.02879	4.5
109.06514	3.1
109.10168	30.8
111.04453	2.6
119.08596	14.2
121.06478	3.1
121.10143	7.0
123.04428	7.3
123.08061	5.3
123.11728	87.8
124.04737	3.0
125.06001	20.0
127.03928	12.5
131.08533	3.9
135.08032	2.4
137.05991	2.8
137.09572	1.9
139.07545	3.0
145.05014	4.3
145.10117	6.7
147.04443	2.6
147.08051	5.5
147.11717	14.2
148.04712	2.4
149.06009	2.5
149.09674	10.6
151.07567	12.3
160.08836	2.2
161.13266	1.9
162.38684	2.0
165.05524	2.3
165.12708	4.5
166.05925	3.0
167.10750	2.6
171.11644	3.3
174.10483	2.6
177.05487	23.5
178.05829	16.3
189.12781	15.9
207.13838	67.5
224.84566	1.8
225.14886	29.1
229.73001	1.8
236.48111	2.1
277.10907	2.3
330.10550	7.5
333.16910	19.5
351.18073	34.0
369.19083	10.3
387.16226	25.3
387.20239	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	387.1804
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03941	2.8
55.01861	1.9
55.05509	0.9
59.37125	0.6
65.03925	0.9
67.05484	1.1
68.99781	0.5
69.03416	1.4
70.06780	0.5
70.65448	0.6
70.65790	1.4
71.04955	0.6
77.03956	0.7
78.04697	2.6
79.05498	13.8
81.03420	1.0
81.07057	1.6
83.08621	1.2
85.02891	1.2
89.06027	0.8
91.05473	9.0
93.07059	3.5
94.04172	1.7
95.04974	7.8
95.08599	1.6
97.02885	1.3
103.05472	27.4
105.04526	0.7
105.07034	31.9
106.04158	1.4
107.04962	23.5
107.08576	1.6
108.05734	1.3
109.06511	3.3
111.04417	0.8
114.53481	0.5
115.05458	10.6
117.07028	5.8
118.04165	2.1
119.04957	3.1
119.08598	1.2
120.05750	1.0
121.02845	0.7
121.06515	10.2
122.03637	1.2
123.04443	5.3
123.08080	4.7
124.05229	4.7
125.05994	2.1
128.06235	1.3
129.06976	1.5
131.04933	33.4
131.08559	0.5
132.05682	1.6
133.06494	31.5
135.08054	6.2
136.05188	2.0
137.05978	12.7
138.06778	0.7
139.03868	1.2
139.07536	1.6
141.06966	2.5
142.07648	0.7
143.04903	2.0
143.06032	2.2
143.08565	0.9
144.05711	1.6
145.06490	11.8
146.06863	0.8
147.04411	7.3
147.08060	0.9
149.05991	4.8
149.09592	0.8
151.03976	1.4
151.07549	19.7
152.04684	3.2
153.05464	1.9
154.68927	0.6
155.05997	0.9
156.05658	2.0
157.06470	2.2
158.07289	1.2
159.08051	1.4
160.05193	2.0
161.05991	31.0
163.07550	58.2
164.07867	0.9
165.05479	0.5
165.09117	2.6
165.12766	0.7
166.06210	1.3
167.07047	100.0
168.07419	2.1
169.06465	1.4
171.08102	0.9
172.05205	2.2
173.06000	7.6
173.09653	0.8
174.06744	1.0
175.07541	6.8
177.05464	0.7
177.09116	8.3
178.06195	1.1
179.05490	0.7
179.07025	11.5
180.07698	0.8
181.08600	22.3
181.10213	1.2
181.12123	0.7
184.05110	1.1
185.13289	0.8
187.07533	10.1
189.09140	1.5
189.12480	0.5
191.07068	1.2
192.07756	1.0
192.09360	0.7
193.08611	69.1
194.09010	1.9
195.11777	1.0
201.09126	2.8
202.06206	1.2
202.07915	1.5
203.07045	0.7
203.08569	4.4
205.08594	8.5
205.10300	0.7
207.10164	1.4
207.13820	2.0
213.12773	0.6
217.08563	5.7
217.10280	0.6
218.09224	0.7
219.08064	1.4
219.10159	3.0
220.08916	1.7
221.09631	0.8
231.08128	5.0
231.10251	0.9
231.13750	0.9
232.08830	1.1
233.09647	0.8
233.11768	2.7
235.11157	2.2
245.09666	1.0
247.07487	1.1
248.08292	3.7
249.14871	2.3
259.07535	2.2
261.09079	0.6
262.09995	1.2
263.10623	5.6
265.08511	1.0
276.07806	1.1
277.08432	0.8
277.12137	0.6
280.11017	1.4
290.09427	0.7
291.10165	5.4
291.15897	1.3
295.13300	5.5
305.11765	1.0
308.10468	1.2
323.12756	14.0
324.13431	0.9
325.10709	0.8
337.14178	0.9
340.13168	0.7
355.15411	34.8
356.15863	0.9
372.15573	0.9
387.18039	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	387.1803
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.12583	1.0
53.03948	2.9
55.01875	3.5
55.05517	2.7
56.32303	1.2
65.03940	3.8
67.05515	3.9
69.03439	1.3
69.07067	2.3
70.38158	2.5
70.38553	2.3
71.04966	1.4
71.34308	1.2
78.04716	2.8
79.05500	18.0
81.03459	1.3
81.07065	7.3
87.99552	1.0
91.05492	14.9
93.07050	13.4
94.04197	3.7
95.04986	9.2
95.08600	2.7
97.06554	10.4
99.04465	1.6
103.05486	8.2
105.07045	9.2
106.04208	2.2
107.04964	28.8
107.08604	4.2
109.06538	2.6
109.10212	2.2
111.04464	2.6
115.05457	5.4
116.44430	1.1
117.07028	5.2
118.97897	1.3
119.04958	3.4
119.08594	3.4
121.06519	15.0
121.10148	3.3
122.03654	5.5
123.04458	11.8
123.08082	1.3
124.05189	6.6
125.06005	4.6
128.06239	1.5
129.07007	3.5
130.07794	3.6
131.04942	3.7
131.08612	2.4
133.02861	2.1
133.06497	3.1
135.08018	1.8
135.11674	1.9
137.05992	74.2
138.03166	1.2
138.06667	1.6
139.03918	38.0
139.07512	1.9
141.07030	2.0
143.04990	1.8
143.08578	8.4
145.06499	7.0
145.10141	18.3
147.04407	2.8
147.08058	1.8
148.05212	2.8
149.05977	4.8
149.09615	1.8
151.03958	9.3
151.07552	2.2
152.04698	3.0
153.05482	2.5
155.08617	5.9
157.06485	1.2
157.10114	2.1
158.07285	18.7
159.08044	2.4
161.05966	4.0
163.07556	3.9
165.05531	2.4
165.06999	1.6
165.09195	1.6
166.06274	8.1
166.07492	1.6
167.07062	100.0
169.10219	1.4
173.05983	4.6
173.09625	29.6
173.13258	1.8
175.07478	2.3
177.05524	3.3
181.05051	16.1
181.08618	67.8
186.06851	2.5
189.05505	2.1
189.09143	1.5
191.07030	3.5
193.08612	2.5
195.10176	7.1
201.09123	45.5
203.07039	2.5
205.08681	4.3
213.09114	1.5
218.09386	1.5
219.08241	1.6
219.10208	4.0
233.08127	3.7
233.09331	1.5
233.11739	31.4
243.10362	1.4
265.08597	1.4
266.09216	1.4
277.08725	2.2
285.15326	1.4
286.46066	1.4
309.10992	1.8
327.12457	1.9
343.11584	1.6
351.12320	1.7
355.11807	1.4
355.15747	1.6
357.13321	9.9
369.13303	7.4
387.14120	30.5
387.17969	3.8
387.22510	1.9
387.24756	1.4
387.29089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12583	1.0
53.03948	2.9
55.01875	3.5
55.05517	2.7
56.32303	1.2
65.03940	3.8
67.05515	3.9
69.03439	1.3
69.07067	2.3
70.38158	2.5
70.38553	2.3
71.04966	1.4
71.34308	1.2
78.04716	2.8
79.05500	18.0
81.03459	1.3
81.07065	7.3
87.99552	1.0
91.05492	14.9
93.07050	13.4
94.04197	3.7
95.04986	9.2
95.08600	2.7
97.06554	10.4
99.04465	1.6
103.05486	8.2
105.07045	9.2
106.04208	2.2
107.04964	28.8
107.08604	4.2
109.06538	2.6
109.10212	2.2
111.04464	2.6
115.05457	5.4
116.44430	1.1
117.07028	5.2
118.97897	1.3
119.04958	3.4
119.08594	3.4
121.06519	15.0
121.10148	3.3
122.03654	5.5
123.04458	11.8
123.08082	1.3
124.05189	6.6
125.06005	4.6
128.06239	1.5
129.07007	3.5
130.07794	3.6
131.04942	3.7
131.08612	2.4
133.02861	2.1
133.06497	3.1
135.08018	1.8
135.11674	1.9
137.05992	74.2
138.03166	1.2
138.06667	1.6
139.03918	38.0
139.07512	1.9
141.07030	2.0
143.04990	1.8
143.08578	8.4
145.06499	7.0
145.10141	18.3
147.04407	2.8
147.08058	1.8
148.05212	2.8
149.05977	4.8
149.09615	1.8
151.03958	9.3
151.07552	2.2
152.04698	3.0
153.05482	2.5
155.08617	5.9
157.06485	1.2
157.10114	2.1
158.07285	18.7
159.08044	2.4
161.05966	4.0
163.07556	3.9
165.05531	2.4
165.06999	1.6
165.09195	1.6
166.06274	8.1
166.07492	1.6
167.07062	100.0
169.10219	1.4
173.05983	4.6
173.09625	29.6
173.13258	1.8
175.07478	2.3
177.05524	3.3
181.05051	16.1
181.08618	67.8
186.06851	2.5
189.05505	2.1
189.09143	1.5
191.07030	3.5
193.08612	2.5
195.10176	7.1
201.09123	45.5
203.07039	2.5
205.08681	4.3
213.09114	1.5
218.09386	1.5
219.08241	1.6
219.10208	4.0
233.08127	3.7
233.09331	1.5
233.11739	31.4
243.10362	1.4
265.08597	1.4
266.09216	1.4
277.08725	2.2
285.15326	1.4
286.46066	1.4
309.10992	1.8
327.12457	1.9
343.11584	1.6
351.12320	1.7
355.11807	1.4
355.15747	1.6
357.13321	9.9
369.13303	7.4
387.14120	30.5
387.17969	3.8
387.22510	1.9
387.24756	1.4
387.29089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01859	2.2
61.02939	2.1
67.05490	2.2
69.03432	6.0
69.62734	9.1
74.99964	1.3
79.05482	3.8
81.03432	8.9
81.07050	3.7
83.04990	16.9
85.02914	15.7
87.51617	1.3
89.89633	1.3
91.05488	8.4
93.07050	6.0
95.04959	5.4
95.08605	2.6
97.02898	5.4
97.06548	1.8
105.07037	6.0
107.04983	7.4
107.08598	3.6
108.05798	1.3
109.02837	2.7
109.06524	4.0
119.04906	1.8
119.08553	2.6
121.06525	4.6
121.10165	9.2
123.04455	2.6
123.08058	9.2
123.11703	5.2
124.07616	10.6
125.05988	9.6
127.03926	4.7
131.08618	1.9
133.02791	1.7
133.06493	2.7
135.08061	8.1
136.05197	2.9
137.05969	4.0
138.06740	2.0
139.03958	6.8
139.07565	1.3
145.04877	1.5
147.04446	2.9
147.08067	12.6
148.05246	6.6
149.06013	1.9
149.08266	1.4
149.09608	6.3
151.03870	3.2
151.06422	2.6
151.07559	29.4
153.05458	2.5
161.06046	2.3
162.06767	1.9
163.07561	25.9
165.05502	2.4
165.09204	1.7
165.12703	8.5
166.06268	6.0
166.08667	2.4
167.07010	4.3
168.07787	5.2
169.05025	2.3
177.09186	11.1
178.09911	82.4
179.07074	5.8
179.10709	13.0
181.08617	47.2
181.10075	1.7
184.09735	11.1
189.12871	1.8
189.58499	1.4
194.09381	12.4
195.10207	2.1
207.10257	2.1
207.13783	8.6
209.11749	100.0
210.12038	2.8
225.14902	19.5
227.12823	6.3
230.22028	1.5
261.69931	1.7
277.77856	1.4
332.66168	1.4
334.13107	1.7
352.13971	3.1
387.16284	2.3
388.17365	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01859	2.2
61.02939	2.1
67.05490	2.2
69.03432	6.0
69.62734	9.1
74.99964	1.3
79.05482	3.8
81.03432	8.9
81.07050	3.7
83.04990	16.9
85.02914	15.7
87.51617	1.3
89.89633	1.3
91.05488	8.4
93.07050	6.0
95.04959	5.4
95.08605	2.6
97.02898	5.4
97.06548	1.8
105.07037	6.0
107.04983	7.4
107.08598	3.6
108.05798	1.3
109.02837	2.7
109.06524	4.0
119.04906	1.8
119.08553	2.6
121.06525	4.6
121.10165	9.2
123.04455	2.6
123.08058	9.2
123.11703	5.2
124.07616	10.6
125.05988	9.6
127.03926	4.7
131.08618	1.9
133.02791	1.7
133.06493	2.7
135.08061	8.1
136.05197	2.9
137.05969	4.0
138.06740	2.0
139.03958	6.8
139.07565	1.3
145.04877	1.5
147.04446	2.9
147.08067	12.6
148.05246	6.6
149.06013	1.9
149.08266	1.4
149.09608	6.3
151.03870	3.2
151.06422	2.6
151.07559	29.4
153.05458	2.5
161.06046	2.3
162.06767	1.9
163.07561	25.9
165.05502	2.4
165.09204	1.7
165.12703	8.5
166.06268	6.0
166.08667	2.4
167.07010	4.3
168.07787	5.2
169.05025	2.3
177.09186	11.1
178.09911	82.4
179.07074	5.8
179.10709	13.0
181.08617	47.2
181.10075	1.7
184.09735	11.1
189.12871	1.8
189.58499	1.4
194.09381	12.4
195.10207	2.1
207.10257	2.1
207.13783	8.6
209.11749	100.0
210.12038	2.8
225.14902	19.5
227.12823	6.3
230.22028	1.5
261.69931	1.7
277.77856	1.4
332.66168	1.4
334.13107	1.7
352.13971	3.1
387.16284	2.3
388.17365	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.6
55.05495	3.0
57.03438	20.5
57.77346	2.5
61.02925	14.8
69.03429	31.0
70.06559	2.9
71.01351	3.4
73.02505	3.9
73.02918	70.6
80.17677	2.5
81.03403	9.2
81.07047	2.8
83.04987	8.5
85.02911	100.0
87.04471	3.3
88.03989	2.9
91.03963	3.5
91.05438	5.0
93.07015	4.7
95.04952	4.8
97.02896	45.4
98.20787	6.7
99.04424	5.1
103.03983	4.3
105.07034	4.9
107.08595	3.0
109.02866	8.9
109.06478	3.4
110.08231	2.4
115.03927	26.6
119.08558	5.2
123.04424	5.3
127.03934	25.3
131.08533	4.2
133.04956	28.7
143.08591	3.9
145.04970	61.9
145.10135	6.0
147.11711	4.5
149.05939	2.3
157.10117	7.1
163.03900	4.2
163.06039	28.7
167.07062	9.8
175.11145	4.6
183.11557	2.6
206.08112	6.2
223.05965	5.3
224.09282	5.9
225.14912	7.3
229.12192	3.8
235.03242	2.4
241.07007	3.9
254.16029	3.3
257.20782	3.0
259.08148	6.7
297.11600	4.4
368.15045	4.0
386.15961	12.6
387.15976	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
53.95250	1.4
54.53759	1.5
55.01879	1.9
57.03441	31.6
61.02936	13.8
61.33455	1.4
64.31827	1.6
64.91007	1.6
68.73432	1.5
69.03435	33.1
70.63881	4.7
71.01343	3.0
71.04992	2.6
71.06449	1.5
72.81178	1.5
73.02502	2.6
73.02919	65.9
81.03407	4.3
85.02908	100.0
85.49738	1.4
87.04475	3.3
91.03957	4.4
93.07020	1.6
97.02896	44.2
98.27993	1.7
99.04470	3.4
109.02898	8.6
115.03941	28.9
116.28000	1.8
127.03929	28.3
133.04974	10.7
145.04965	59.1
150.07652	3.1
163.06047	32.9
167.07053	22.7
186.33054	1.7
211.02194	1.7
223.06067	3.6
237.13429	3.3
241.06989	2.4
259.08167	2.6
276.86401	1.5
295.10101	2.5
313.31393	1.8
359.78564	1.8
373.39828	1.6
386.16333	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.05499	4.9
60.02355	1.2
63.42915	1.3
65.03928	1.6
66.69696	1.1
67.05499	4.4
69.03420	4.4
69.07076	1.5
70.02966	1.9
70.06591	1.7
71.04979	3.5
71.15154	1.9
71.15494	1.7
73.02914	1.4
74.00659	1.9
76.02238	2.8
79.05482	3.8
81.03436	2.6
81.07068	6.6
83.04973	7.7
84.08123	1.4
85.02908	10.0
88.02218	4.4
88.03997	7.7
91.05484	5.6
93.07046	5.9
93.82676	1.2
95.04966	4.2
95.08627	1.5
97.01144	1.8
97.02895	2.8
99.04453	1.8
101.06031	1.7
105.07042	16.1
107.04925	2.1
107.08595	6.0
109.02862	2.3
109.06544	3.0
111.04417	1.5
117.07036	4.3
119.08553	7.6
121.06519	2.7
122.02687	1.7
123.02602	1.5
123.08101	1.7
127.03913	2.6
128.06161	2.1
129.05479	1.7
129.07021	5.3
131.08577	14.8
133.06430	1.5
133.10130	5.7
135.08067	2.1
137.04207	1.7
141.07007	3.3
142.07794	9.9
143.08572	7.1
145.05022	3.0
145.10129	17.7
147.07993	1.9
147.11705	14.9
149.04228	4.6
149.09601	3.3
153.06929	1.5
154.05034	1.9
155.08571	5.8
156.09277	2.8
157.10138	43.4
158.10774	1.3
159.08060	2.4
159.11699	9.2
164.07069	1.9
165.09106	1.4
167.07112	7.3
167.08391	2.0
168.09398	5.3
169.10135	6.0
171.11705	7.7
173.09628	7.2
173.13318	3.1
175.11194	31.7
177.07387	1.9
178.08582	1.9
181.10141	4.7
182.10927	3.0
183.11711	14.9
185.09560	1.8
185.13295	5.4
186.05098	1.4
187.11240	4.7
189.07338	2.9
189.12839	1.7
191.10649	3.4
199.11218	10.0
200.06602	5.2
201.12801	9.4
203.08841	1.5
203.10661	1.5
203.14407	1.8
205.10457	2.8
207.13823	1.8
209.11778	1.7
211.11201	6.4
215.08910	16.2
215.25299	1.3
217.12279	2.6
223.07932	2.2
224.09193	2.7
225.14897	4.9
229.12259	16.8
233.10049	7.7
243.08594	1.6
247.13304	3.6
249.96390	1.4
251.11066	6.2
261.07104	1.6
261.09387	8.9
279.10526	21.0
297.11566	27.9
322.14771	6.4
331.29608	1.4
331.40741	1.5
340.15808	25.4
368.15286	2.1
369.13730	10.5
386.16354	100.0
387.16382	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	386.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	0.9
55.01895	0.8
68.99812	1.5
69.03426	1.1
70.06597	100.0
70.68477	1.7
70.68821	1.0
71.06940	1.2
79.05519	0.7
81.03402	0.9
81.07034	1.0
91.05477	2.3
93.85105	0.7
103.05483	0.8
105.43140	0.7
111.89492	0.7
119.04951	2.8
121.06519	1.8
123.04437	16.4
135.04378	0.8
137.05988	5.2
147.04410	9.4
149.05997	2.4
161.05984	2.0
165.05522	6.1
167.07027	1.5
177.05479	35.7
205.06567	4.7
207.06447	1.8
207.13834	2.1
222.06830	1.9
233.05995	3.4
235.07622	2.2
237.09120	7.2
250.06262	1.2
251.07129	2.5
252.07816	0.9
263.06897	1.0
265.08627	16.9
279.03848	0.7
279.06540	4.1
280.07321	10.2
294.08887	7.4
295.09650	7.5
329.10229	13.7
339.12296	1.2
369.13330	19.4
369.17758	1.4
386.15994	31.0
387.15381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.16
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.15032	0.2
54.03476	0.8
55.01888	0.3
55.04282	0.3
58.06601	0.6
60.04514	0.3
61.83762	0.2
67.15177	0.3
68.99806	0.9
70.06600	100.0
70.19194	0.5
70.19572	0.5
71.06936	0.8
79.05498	0.6
81.03429	0.5
81.07061	0.9
84.08129	0.3
91.05486	1.5
93.07070	0.8
95.04986	0.7
103.05492	0.5
105.07066	0.6
107.04972	1.2
109.06578	0.3
109.10217	0.3
119.04946	2.7
119.08592	0.5
121.06519	2.0
123.04441	12.8
131.04973	1.0
133.06534	0.4
135.04390	2.0
137.06021	0.6
145.10158	0.6
147.04425	7.8
147.05524	0.5
147.11751	0.5
149.06007	5.0
157.06123	1.7
157.10146	0.6
159.04478	0.6
161.06070	0.4
163.03848	0.3
165.05502	4.1
173.06090	0.5
175.07594	0.7
177.05489	54.4
178.05867	1.1
183.11786	0.4
189.05653	0.4
189.12730	2.5
192.10252	0.5
198.21342	0.3
207.06570	1.0
207.13878	0.6
229.12328	0.3
234.11267	4.5
250.54535	0.3
318.72168	0.3
329.10205	10.7
330.10715	0.3
368.08453	0.3
386.16025	39.7
387.16388	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	386.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17568	0.5
53.03945	0.9
55.01859	0.8
55.05490	0.7
56.96562	1.8
57.03431	1.8
59.05009	0.6
61.02932	3.4
64.82458	0.5
69.03439	7.7
69.07039	0.6
70.06583	2.2
70.97017	1.1
71.04987	1.6
73.02914	1.6
79.05492	1.0
81.03432	4.1
82.06585	0.6
83.01364	0.5
83.04979	0.8
84.04519	0.7
84.08128	1.1
85.02432	1.0
85.02914	15.6
85.06554	1.4
86.03247	1.0
86.09703	0.6
87.04469	1.4
88.02224	1.6
91.03957	1.1
91.05482	2.5
95.04968	1.4
97.02905	7.6
98.97582	3.3
99.04462	1.0
101.00919	0.5
101.05993	0.9
105.07050	0.8
107.04982	0.8
109.02881	1.9
110.07167	0.8
111.04411	0.7
116.07081	0.9
116.98624	1.6
118.06555	1.7
119.01898	1.6
119.04926	2.8
120.08062	0.7
121.06522	0.5
123.04436	1.4
127.03930	4.3
128.98604	0.7
130.10707	0.5
131.01920	0.9
133.03474	0.7
134.02702	1.7
134.06026	1.0
134.99683	0.7
135.06665	0.5
136.06209	2.5
136.07596	1.2
136.29889	0.5
137.05928	5.5
139.03882	1.6
143.01891	0.6
143.08534	1.0
145.03537	0.6
145.04979	2.3
146.06052	2.6
147.03207	0.6
147.04353	1.3
148.07527	1.3
149.05946	4.2
150.05536	1.4
151.07544	6.0
152.07072	1.4
154.03853	0.5
155.01862	0.9
157.10078	0.7
158.99666	0.9
160.07556	0.7
161.02960	1.2
161.05978	2.4
163.02802	1.1
163.06302	10.8
163.07607	1.0
164.07104	6.7
165.05473	0.9
167.07004	0.9
171.08131	0.5
173.03035	0.6
176.07228	0.5
177.05504	5.8
177.07759	0.6
178.08650	100.0
179.07196	0.5
179.08946	1.2
180.10188	1.1
183.11690	0.6
183.55101	0.6
185.03029	2.1
189.05800	0.7
189.09074	1.9
195.06563	1.8
197.02983	0.7
203.04048	1.0
206.08383	1.6
206.11815	2.0
218.11726	0.8
219.01724	0.9
220.09673	0.8
221.05078	0.9
224.09201	57.0
224.12503	6.4
225.09557	0.7
237.02826	1.0
245.05121	1.1
249.06239	0.7
250.09337	0.7
267.07169	0.6
279.03729	0.7
321.10330	1.5
340.14105	1.2
368.13538	1.4
386.13678	6.6
386.18173	5.6
387.14520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2739
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
53.34896	3.3
55.05505	10.9
61.07942	3.2
65.03938	4.3
67.05502	21.7
69.07081	21.8
71.04987	4.3
71.57939	3.4
71.58331	3.9
79.05504	24.9
81.06576	6.0
81.07059	100.0
83.04998	6.1
83.08607	6.7
85.06561	7.6
91.05480	34.5
93.07038	42.4
95.04966	4.1
95.08609	32.3
97.06533	7.1
97.10155	4.5
105.07027	58.7
107.04967	6.0
107.08611	29.3
109.06536	3.3
109.10172	18.2
117.06982	17.5
119.08572	35.5
121.10137	22.4
123.11665	7.2
125.05996	50.8
128.06226	4.0
129.06976	8.0
131.08568	33.3
133.10146	30.3
135.11702	21.8
137.05948	4.8
139.07516	6.3
143.08527	9.4
145.10158	22.8
147.11668	18.5
149.13249	19.2
151.07556	5.2
155.08556	8.3
157.10136	23.1
159.11697	70.7
161.09564	3.6
161.13283	66.4
163.14847	25.6
167.07083	9.8
167.40520	3.6
169.10219	4.7
171.11711	11.3
173.13254	15.7
175.14854	7.3
177.12787	17.7
179.14377	6.7
183.11752	9.1
187.11154	6.0
187.14816	11.1
189.12793	7.0
189.16460	3.4
195.87086	3.2
197.13326	10.5
199.14798	7.9
201.16449	9.2
205.12270	10.0
207.13782	16.8
209.13280	5.2
211.14819	7.8
215.17937	3.8
225.16408	12.5
227.14368	4.7
227.17877	4.7
231.13870	3.7
233.09367	3.4
239.17943	7.9
251.18015	11.0
265.19559	7.6
280.82779	3.2
311.20377	3.7
311.27267	7.9
321.25781	48.3
323.27429	17.3
339.26892	77.6
349.25140	7.5
367.26364	67.5
385.27469	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2738
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
53.03952	3.9
55.05512	12.0
56.30994	4.2
58.99109	3.8
61.89580	4.7
65.03922	4.5
67.05509	35.4
69.07074	35.7
71.44926	8.9
78.97533	3.7
79.05489	43.9
81.07063	98.9
83.08613	6.6
88.21413	4.2
91.05483	61.9
93.07043	66.3
95.04968	5.8
95.08616	51.3
97.06522	11.6
97.10172	4.4
105.07036	89.6
107.08609	40.4
109.06587	5.5
109.10140	20.3
111.04469	5.3
115.05411	4.2
117.07043	17.8
119.08591	69.7
121.10157	26.0
123.11732	5.4
125.05997	64.0
128.06210	4.5
129.07016	16.0
131.08586	30.4
133.10138	37.3
135.04446	4.5
135.11729	16.5
137.05966	6.1
139.07611	6.6
143.08623	12.1
145.10130	23.0
147.08046	4.4
147.11694	21.2
149.13297	28.1
155.08574	6.2
157.10129	21.0
159.11699	100.0
161.13271	89.8
163.14853	29.3
167.91135	4.0
169.10152	11.4
171.11662	10.8
173.13295	13.0
177.12801	19.0
179.14369	10.2
183.11702	11.3
185.13329	9.1
187.11195	5.4
189.12830	7.4
189.16383	7.9
195.11769	5.4
197.13322	9.6
199.14835	9.2
201.16385	8.1
205.12376	12.2
207.13806	22.5
211.14915	11.0
213.16350	4.9
215.18062	5.8
225.16461	8.5
227.18015	5.3
231.13914	5.6
239.18086	10.1
251.17886	8.8
265.19485	6.1
269.75443	5.1
279.21124	5.4
321.25836	38.7
324.86496	5.3
327.23254	6.3
339.26855	49.6
367.26288	35.3
385.27386	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26217	2.6
55.02837	3.2
55.05508	7.1
65.03944	2.5
67.05521	14.1
69.07076	22.7
69.56514	2.6
70.94599	6.3
79.05508	21.0
81.07064	48.8
83.08617	4.8
91.05504	23.0
93.07055	30.2
95.08621	26.0
97.06552	3.7
98.21347	3.1
101.15575	3.1
105.07039	47.5
107.04935	5.2
107.08597	25.1
109.10159	11.1
111.04428	5.5
115.05505	3.4
117.07018	12.2
119.08599	29.7
121.10164	14.1
123.11707	5.3
125.06000	42.2
128.95541	3.3
129.07040	7.1
131.08597	18.5
133.10114	14.2
135.11662	7.8
139.07549	15.9
143.08531	5.2
144.09351	5.2
145.10104	10.7
147.11691	9.0
149.13242	12.0
151.07520	6.0
155.08560	4.9
157.10143	21.8
159.11714	100.0
161.13271	52.6
163.14850	19.6
169.10008	3.7
171.11658	6.9
173.13199	9.3
175.11111	5.5
175.14859	3.7
177.12723	13.4
179.14323	6.9
183.11678	6.3
185.13304	4.7
187.14835	5.4
189.12709	6.1
195.11678	4.6
197.13321	11.0
199.14862	6.8
203.92293	3.1
205.12268	19.0
207.13792	13.0
209.13354	4.4
211.14767	3.9
213.16389	8.8
215.17896	3.7
223.14667	3.5
225.16403	5.2
237.16293	4.6
239.17958	7.8
253.19679	6.1
321.25766	27.8
323.27478	4.4
339.26816	34.2
367.26389	29.3
385.23059	3.8
385.27386	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.274
Annotation	Variecolactone
Peak:m/z	Relative Intensity
55.05518	2.9
56.43087	1.8
67.05513	13.9
69.07084	11.3
70.66001	3.8
79.05503	14.4
81.07066	35.6
83.05000	2.1
83.08625	4.1
85.06552	2.1
91.05495	14.5
93.07050	16.5
95.08613	16.5
97.06532	4.1
97.10197	3.3
105.07043	29.2
107.04992	2.1
107.08602	19.7
109.06598	2.0
109.10180	8.4
111.04438	3.1
117.07021	8.6
119.08584	21.1
121.06606	2.1
121.10155	7.3
123.08118	2.1
123.11718	3.3
125.06004	30.2
129.07024	3.1
131.08565	14.0
133.10138	8.6
135.11719	5.9
139.07501	3.6
142.07785	2.4
143.08612	5.9
144.09383	5.2
145.10127	8.7
147.11696	8.6
149.13287	10.1
151.03738	1.6
155.08562	2.5
157.10138	13.6
159.11703	100.0
160.12067	1.9
161.13261	40.9
163.11217	1.7
163.14853	15.4
169.10167	3.4
171.11740	3.1
173.13307	8.2
175.11232	5.9
177.12773	11.7
179.14316	4.3
181.10190	2.0
183.11720	4.6
185.13293	4.6
187.11229	1.9
187.14888	4.6
189.12814	5.6
195.11702	3.4
197.13289	4.6
199.14850	4.7
201.12816	1.7
201.16447	3.1
205.12244	8.1
207.13808	15.8
209.13370	3.6
211.14824	1.8
213.16312	3.4
225.16228	2.5
231.13847	1.8
233.99826	1.6
251.18002	2.8
253.19533	2.9
265.19568	2.3
283.20526	2.3
287.19894	2.2
311.20212	2.1
321.25833	21.2
323.27295	6.5
339.26886	24.4
341.28537	2.1
358.64240	2.0
367.26303	23.5
385.27426	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	385.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.05505	17.0
57.07076	4.9
64.05353	2.6
67.05509	35.8
69.07063	40.7
69.30795	2.8
71.03271	6.3
71.04976	3.6
72.04525	27.0
73.04823	5.2
79.05501	40.2
81.07060	100.0
82.06587	9.2
82.51660	3.1
83.04984	5.4
83.08627	11.0
91.05479	57.9
93.07046	61.8
95.04967	12.3
95.08607	51.8
97.06532	10.9
97.10149	6.9
103.05515	4.0
103.96835	2.8
105.07032	83.0
106.07421	4.0
107.04937	9.1
107.08591	47.2
109.06535	5.0
109.10146	23.1
111.08097	3.6
115.05436	5.4
117.07027	29.3
119.08581	65.7
119.09866	3.3
121.06488	5.5
121.10161	31.3
123.11716	11.6
125.05992	47.9
128.07083	8.2
129.07014	13.3
130.47716	2.7
131.08582	32.3
133.06421	3.8
133.10136	28.8
135.04417	6.5
135.08044	4.9
135.11700	19.5
137.05923	4.5
137.13257	5.1
139.07547	3.3
141.06985	6.8
142.07799	7.0
143.08554	18.4
144.09317	9.8
144.32039	3.1
144.55104	3.6
145.10129	31.2
147.08105	4.0
147.11694	25.2
149.05989	3.4
149.13249	35.1
151.07539	8.0
155.08516	10.1
157.10129	29.3
158.10506	4.0
159.11694	87.8
160.12059	6.4
161.09598	4.5
161.13271	80.1
162.13596	5.0
163.07625	2.9
163.11162	7.0
163.14850	25.6
167.07077	3.5
169.10110	16.2
171.11662	12.1
173.13290	13.8
175.11214	6.6
175.14946	3.7
177.12766	19.6
179.14304	6.7
181.10143	6.8
183.11671	11.5
185.13266	10.8
187.11203	6.0
187.14857	5.2
189.12750	6.2
191.14331	3.4
195.11783	5.3
197.09828	2.9
197.13251	7.6
199.14819	12.1
201.16415	7.2
203.10681	6.0
205.12234	13.6
207.11899	3.1
207.13812	16.6
209.13235	5.1
211.14825	6.5
213.16325	5.2
215.14359	3.3
223.14925	9.4
225.16380	12.0
227.18033	6.5
231.13869	3.6
234.14995	4.0
237.16394	4.4
239.17876	6.0
251.17995	9.8
253.19528	6.8
265.19522	6.9
309.41873	4.2
311.20059	5.6
311.27216	6.2
321.25656	32.9
323.27164	5.3
327.23199	5.4
339.23022	4.8
339.26804	52.9
349.25330	4.3
367.26273	43.4
385.27292	62.5
386.27148	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	385.2738
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
55.05499	7.4
62.72600	3.2
67.05505	22.5
69.07055	14.8
69.67922	21.4
73.05228	3.5
79.05494	23.1
81.07059	70.5
83.08652	5.5
91.05482	35.2
93.07051	32.2
95.08612	32.6
95.80879	3.5
97.06514	8.1
97.10147	4.0
105.07037	76.9
107.08593	34.7
109.10140	14.2
111.08064	3.7
117.07041	21.2
119.08580	48.6
121.10136	27.7
123.11670	5.9
125.06002	31.9
129.07051	5.6
131.08572	22.7
133.10130	12.8
135.04445	6.3
135.11697	8.4
137.06030	6.5
137.13306	4.3
141.07024	4.8
142.07828	6.1
143.08582	19.9
144.09303	5.5
145.10150	26.5
147.11731	9.9
149.13268	17.7
151.07649	4.6
155.08557	6.8
157.10136	45.7
159.11707	100.0
161.09641	5.0
161.13260	69.9
163.14830	39.5
165.16341	4.3
169.10146	9.2
171.11674	7.0
173.13240	9.2
175.14822	7.8
177.12766	13.8
183.11574	3.9
185.13300	5.2
187.14861	4.5
189.12721	6.6
205.12251	36.5
207.13829	10.5
225.16418	5.3
231.13872	4.2
243.13777	4.0
265.19434	5.0
287.20010	5.2
321.25732	34.5
323.27359	8.7
339.26874	38.4
349.25418	7.2
367.26334	40.2
385.27322	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.1
61.02927	3.7
65.03933	2.5
67.05491	4.4
69.03427	4.4
69.62206	8.5
69.62617	8.2
79.22932	2.3
81.03397	2.9
83.04987	2.8
85.02895	9.3
87.00821	2.2
91.05471	8.4
93.07065	2.9
96.08133	2.7
97.02880	3.0
97.06512	2.4
103.05471	8.1
105.07030	8.5
107.08553	3.1
109.02872	2.9
109.06535	3.2
115.05463	5.2
117.07079	4.8
118.04148	3.2
119.03407	4.1
119.05037	3.0
121.06492	4.0
123.04623	2.8
123.08099	3.3
127.03938	4.2
129.07001	4.4
129.96541	2.7
131.04936	20.8
131.08614	4.0
132.05684	2.9
133.06490	3.1
137.05960	4.4
138.09155	2.5
139.03905	5.4
141.07001	11.3
142.07787	3.1
144.05675	3.8
145.06499	3.1
146.03621	3.8
147.04398	5.8
149.05948	3.5
149.09586	3.4
152.22385	2.3
157.02869	5.0
157.06548	5.9
159.04427	5.1
159.08029	3.7
161.05994	13.0
163.03963	7.1
167.07072	7.7
169.06528	11.0
171.04353	4.9
172.05232	3.7
173.06017	8.0
175.03931	3.7
175.07574	4.0
176.04657	4.6
177.05525	7.3
180.07791	4.3
181.05029	4.8
183.11792	2.7
185.06032	5.5
186.06784	4.6
187.03934	8.9
187.07530	3.3
189.01817	5.2
189.05457	11.8
191.07076	24.3
193.02942	2.5
197.06038	11.2
199.03969	3.2
201.05444	3.3
201.09148	3.1
203.03416	3.8
203.06979	5.7
204.04214	8.5
204.07881	4.1
205.08614	4.2
205.12234	8.2
208.07083	3.4
213.05521	6.0
214.06229	5.3
215.07047	10.2
217.04926	11.4
218.05708	4.1
219.06592	20.3
223.09532	5.6
223.13301	16.4
229.08644	7.9
229.12186	4.1
231.02893	2.9
231.06598	8.5
233.08026	4.3
235.05914	4.0
242.05763	4.3
243.06461	7.0
245.04489	11.0
245.08101	6.1
247.09613	11.8
249.07675	3.4
257.08173	22.5
260.06842	23.0
261.07358	2.3
263.05249	2.8
273.07501	6.4
275.09152	100.0
277.07126	17.3
287.05423	10.2
301.07019	3.1
318.74298	2.8
319.08130	14.9
337.09360	5.1
385.10251	4.0
385.14566	22.0
386.16202	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	385.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.05495	14.4
56.91615	3.8
63.45561	3.8
63.99129	3.3
67.05512	26.8
69.07053	20.4
71.02137	5.3
71.02473	5.6
71.04972	11.7
79.05495	29.2
81.07061	84.0
83.04967	3.6
83.08636	9.0
91.05479	38.1
93.07048	72.5
95.04969	6.1
95.08614	63.3
105.07041	80.0
105.67487	3.8
107.04884	5.6
107.08601	51.2
109.06480	7.5
109.10151	34.6
111.04440	3.7
113.09608	5.4
117.07046	25.8
117.21355	3.5
119.08589	57.3
121.10175	42.1
123.08089	3.5
123.11729	8.7
125.09583	4.5
129.06985	11.6
131.08568	21.3
133.10156	31.2
135.11642	21.1
141.06981	7.2
142.07777	5.8
143.08513	19.4
145.10130	30.8
147.08047	4.1
147.11673	15.1
149.02338	5.7
149.13255	8.9
155.08569	12.1
157.10138	19.3
159.11708	46.3
161.13268	80.1
163.07584	4.3
163.14819	56.5
165.12691	5.2
167.07054	14.8
167.08478	3.8
169.10121	12.6
171.11676	16.9
173.13249	24.0
175.14799	10.0
177.12720	6.6
179.14323	5.0
181.10088	5.8
183.11713	17.9
185.13210	12.9
187.11241	5.7
187.14853	6.8
192.09109	4.1
193.04976	3.7
195.11705	10.7
197.13271	20.1
199.14809	15.1
201.12885	3.8
201.16388	4.5
203.10738	5.6
205.12292	22.8
209.13235	4.7
211.14795	10.9
213.16383	13.0
215.17924	5.3
219.07945	4.0
223.13174	5.9
225.16438	10.1
229.15883	5.4
231.10008	6.1
237.16357	6.7
245.15375	6.3
249.16362	3.9
251.18004	8.3
253.19524	54.4
269.18909	5.4
283.20471	5.7
295.09818	4.7
299.20111	5.4
303.19525	4.1
321.11090	5.4
321.25726	20.6
339.26859	100.0
340.27161	6.6
343.11597	4.4
349.25259	6.9
353.13855	4.7
357.27869	4.9
367.22488	6.2
367.26373	30.6
385.16394	11.4
385.27557	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79834	1.1
53.03939	2.3
55.01873	3.8
58.84445	1.2
61.02935	2.1
69.03440	2.6
70.06593	3.3
70.69025	3.5
78.20956	1.3
79.05492	7.8
81.03401	1.7
83.01323	1.4
83.04964	1.8
83.62614	1.3
85.02908	4.9
91.05475	5.7
91.34632	1.5
94.25785	1.3
95.01342	1.6
95.04984	5.3
97.02908	3.3
98.97591	1.6
103.05469	7.6
105.07037	51.4
107.04964	2.6
109.02872	2.4
111.04433	2.0
115.05468	17.1
117.07025	4.3
118.04166	4.2
119.04964	2.7
119.08599	1.4
123.04420	5.7
127.03877	2.4
131.04926	4.5
131.08582	1.5
132.05739	1.7
133.06500	49.9
136.06197	3.5
137.05916	1.8
138.05540	3.2
140.04678	2.0
141.06938	1.4
143.06036	4.1
145.06517	6.2
146.07091	1.7
147.08060	1.9
151.03952	1.6
151.07545	2.1
155.07051	2.8
157.06491	1.8
157.10216	1.2
158.99698	1.4
161.05991	100.0
162.06450	2.0
162.07841	2.5
163.03944	3.5
163.07695	2.3
167.07040	21.2
173.05983	2.6
175.06125	2.2
175.07588	3.6
177.05434	1.4
179.07114	2.1
181.04915	1.8
182.18028	1.3
185.06087	1.5
189.05566	2.9
190.06270	3.1
191.07069	2.8
192.07806	2.3
193.08617	53.7
200.04697	1.7
201.05530	3.2
205.08601	5.5
207.06534	8.1
218.05742	1.5
219.06645	4.9
221.08078	2.5
223.09846	1.9
229.04990	4.0
229.12231	1.6
231.06555	6.5
233.04482	4.6
233.08063	4.1
245.08119	2.5
251.09171	19.5
252.07216	2.6
253.07646	9.3
261.07578	10.3
263.09079	3.3
275.09167	3.6
289.07281	2.9
293.10193	2.6
307.08133	3.7
308.26520	1.6
319.08041	1.9
340.08719	1.5
343.22903	1.2
385.11627	2.2
386.08978	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	385.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60880	0.5
56.96569	3.3
59.39176	0.4
71.21887	0.7
71.54210	0.6
82.88607	0.5
95.23803	0.5
98.97590	25.4
99.97920	1.0
101.00879	1.1
105.29552	0.5
110.72115	0.5
116.98627	23.2
119.01930	6.5
125.81358	0.5
134.99666	15.1
136.00043	0.7
137.02972	2.3
140.00157	0.7
142.62151	0.5
153.00735	2.4
158.01436	0.6
158.99843	0.7
177.00969	15.7
178.01108	1.4
179.00752	0.7
184.94308	0.5
201.00940	1.2
217.04146	2.9
219.02028	24.7
220.02068	1.9
225.00821	2.6
234.99889	1.0
236.99719	0.6
240.98740	1.0
242.98402	0.9
243.02034	9.0
244.02144	1.0
258.99829	11.3
259.99915	3.7
260.99762	11.0
261.03070	100.0
262.03195	7.7
263.03180	1.1
275.04327	0.5
277.00867	15.1
278.01007	4.4
279.00681	14.8
282.01361	0.6
282.99915	3.1
284.00317	1.0
284.04669	3.1
284.99777	3.3
301.01028	4.3
302.01306	2.3
303.00845	5.6
310.81424	0.5
317.57416	0.6
325.00955	0.6
331.49329	0.6
343.02072	2.1
344.02185	0.8
361.00604	0.9
367.02225	1.9
372.10040	0.6
378.93454	0.6
385.03287	15.8
386.03470	1.3
402.93283	0.9
403.04898	14.3
404.04535	0.6
408.04507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
55.05515	16.4
55.42563	3.4
65.03555	3.2
65.03942	3.1
67.05508	29.2
69.07075	44.8
69.78346	3.3
70.23361	8.3
70.23746	7.6
70.24415	3.9
71.04987	4.3
79.05499	34.5
81.06582	5.3
81.07062	100.0
81.07529	7.7
83.04974	5.5
83.08611	6.0
85.06547	5.2
91.05486	46.7
93.07052	47.2
95.04968	11.4
95.08613	43.3
96.08962	3.8
97.06528	8.4
99.08104	12.8
105.07038	71.6
107.08613	35.5
109.06516	8.7
109.10153	20.4
111.04495	5.0
117.07027	42.4
119.08589	50.6
121.06540	8.5
121.10131	28.3
123.11687	10.8
125.09636	7.8
128.06171	3.3
129.07004	23.4
131.08589	39.5
133.10127	38.6
135.04431	5.3
135.08047	5.2
135.11681	19.1
137.05954	5.8
141.06955	9.9
142.07797	5.8
143.08611	22.5
144.09393	5.0
145.06520	5.0
145.10147	25.7
147.08092	6.3
147.10698	4.0
147.11679	25.9
149.06000	5.1
149.09653	7.5
149.13252	8.3
151.03899	6.4
151.07556	4.4
155.08545	16.8
156.09325	5.1
157.10159	26.4
159.11716	64.2
161.09641	4.7
161.13254	44.4
163.07565	5.9
167.08548	7.7
168.09233	4.8
169.10144	13.5
171.08076	4.5
171.11725	25.5
173.13261	13.1
175.11281	8.3
175.14897	5.9
177.12767	15.5
179.08487	4.5
181.10176	9.2
182.11009	4.4
183.11700	18.7
185.13298	15.3
187.07578	4.6
187.11111	9.0
187.14845	11.5
189.12822	5.2
193.10034	4.4
195.11679	8.5
197.13251	11.3
199.14867	12.3
201.12645	3.3
203.10661	4.9
203.14241	3.5
203.54108	3.4
205.12238	38.3
207.11722	6.9
209.13263	7.8
211.14838	12.4
215.14282	7.2
223.14819	8.6
225.12650	5.1
225.16461	5.1
231.13863	6.7
235.14818	9.6
237.16422	8.6
239.17958	10.0
241.12170	4.3
243.13875	4.9
249.16431	6.9
251.17918	4.1
263.17981	13.2
267.17517	4.5
281.18988	7.0
283.16974	7.3
309.18369	8.8
319.24277	40.0
321.25623	8.5
327.16043	3.9
327.19418	4.0
337.21512	9.2
337.25220	61.2
338.25513	4.4
339.47845	4.0
347.23871	5.3
351.12491	4.2
365.24713	47.9
367.30246	3.6
383.15030	15.4
383.25836	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.9
55.30830	2.5
64.96048	1.9
67.05508	9.4
69.07064	9.0
71.29211	3.5
79.05497	10.3
81.07063	34.7
83.04990	5.5
83.08652	3.6
91.05488	16.2
93.07038	15.6
95.04982	12.1
95.08612	21.0
97.06549	5.6
97.10178	3.6
105.06393	2.3
105.07044	28.1
107.08598	20.2
109.06527	17.5
109.10157	10.6
110.60426	1.9
111.08083	5.5
117.07040	4.7
119.08594	25.7
121.06587	3.3
121.10154	14.1
123.08103	6.0
123.11723	4.6
125.06009	19.2
129.06996	4.3
131.08571	14.7
133.10124	10.3
135.08076	20.6
135.11732	8.6
137.05928	2.6
139.07600	2.2
141.07042	3.2
142.07758	3.6
143.08577	7.9
145.10136	25.3
147.08112	3.5
147.11717	15.3
149.13240	13.4
155.08548	2.5
157.10153	13.4
159.11708	13.7
160.08791	2.8
161.09598	5.6
161.13266	15.4
163.14876	6.4
169.10161	7.1
171.11722	7.5
173.09660	2.8
173.13293	7.4
175.11195	38.2
176.11792	2.6
177.09096	2.3
177.12770	10.0
183.11673	3.3
185.13228	5.4
187.11224	2.8
187.14844	4.6
189.12744	4.7
189.16464	2.2
197.13324	5.3
205.12256	6.3
207.13872	8.9
209.13266	2.9
211.14999	3.2
213.16284	2.9
217.15942	2.5
225.16438	2.8
241.15817	3.0
241.19583	14.7
243.21111	10.0
249.16473	4.9
251.18021	2.5
253.19598	16.8
255.17758	2.6
255.21143	10.7
257.22614	3.7
263.17847	2.3
287.20126	3.0
299.20081	5.3
301.21594	6.3
307.24292	3.0
309.25693	5.4
319.24164	10.1
321.26071	2.2
337.25284	44.3
339.26904	6.3
341.24518	2.4
353.24716	3.1
355.26349	6.9
365.24808	7.1
383.25845	100.0
384.26056	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	383.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	60.9
57.07065	33.8
67.05505	53.9
69.07068	43.1
79.05495	22.5
80.02975	13.2
81.07070	71.4
83.08633	65.8
83.16553	11.4
84.36925	13.2
93.07073	30.2
95.08610	100.0
97.10190	42.2
102.22746	11.7
105.07012	29.6
107.08655	24.1
109.10159	67.6
123.11680	15.4
133.10120	13.2
135.11707	12.6
145.10118	15.5
159.11703	17.3
176.51479	16.3
187.14912	18.1
347.32919	15.4
383.13135	20.3
383.32169	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.9
62.57124	1.2
67.05506	9.9
69.07068	13.7
70.58662	4.5
79.05500	16.5
81.07063	26.9
83.08611	3.3
84.38712	1.4
91.05492	18.4
92.05793	1.3
93.07047	15.2
95.08625	12.4
96.79994	1.4
97.06516	4.2
105.07037	25.4
107.08607	11.9
109.06500	1.4
109.10165	4.1
111.04417	3.0
115.05460	1.5
117.07042	12.8
119.08580	15.5
121.10129	6.6
123.11681	2.4
125.05169	2.4
125.06004	25.2
128.06253	2.5
129.07005	10.5
130.07750	3.1
131.08580	20.8
133.10155	6.3
135.04378	3.2
135.08003	3.0
135.11690	1.6
136.08391	2.0
137.05971	2.5
137.13254	1.6
139.07545	2.3
141.06984	3.8
142.07751	11.5
143.08624	8.0
144.09341	5.8
145.10127	8.6
147.11696	3.2
149.13290	4.4
151.07578	2.2
155.08533	8.2
156.09335	1.4
157.10135	28.3
158.10898	2.5
159.11710	100.0
160.12030	2.4
161.09621	2.9
161.13239	18.7
163.14824	6.2
167.08650	1.7
169.10135	6.5
171.11696	5.2
173.09613	1.5
173.13272	2.9
175.11208	10.0
177.12778	5.0
179.08678	1.5
181.10178	3.6
183.11696	5.0
185.13214	3.2
187.11179	2.2
189.12752	2.3
193.10257	1.4
195.11710	4.9
197.13260	5.6
199.14818	2.4
203.10753	2.3
205.12233	8.8
207.11916	2.7
207.13808	6.8
209.13251	4.3
211.14847	3.9
221.13194	2.4
223.14798	3.1
235.14815	2.5
237.16394	2.8
241.12158	1.7
251.17950	2.4
253.19513	6.5
263.17850	2.6
269.15433	2.1
295.17133	1.4
309.18295	2.4
319.24194	11.3
321.25766	2.9
337.25256	12.4
347.23666	1.6
365.24741	15.4
383.25842	42.4
384.26163	2.3
387.77875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.05508	3.6
56.90089	1.0
58.30827	1.1
62.05000	1.0
65.03932	2.1
67.05515	10.9
68.28908	1.4
69.07072	10.9
70.27652	2.7
70.28039	2.2
79.05500	15.6
79.07981	1.1
81.07059	24.1
83.08645	3.0
88.16253	1.2
91.05482	17.4
93.07046	14.5
95.08614	10.9
97.06522	5.1
97.10173	2.0
105.07037	28.5
107.08610	9.3
109.06521	1.2
109.10161	4.0
111.04440	2.1
115.05434	1.5
117.07024	15.5
119.08582	15.7
121.10141	7.3
123.11747	1.6
124.13197	1.2
125.05149	1.0
125.06002	23.6
128.06245	1.9
129.07014	10.2
130.07803	2.2
131.08575	22.2
133.10144	10.2
135.04417	2.9
135.08011	1.6
135.11710	3.4
137.05956	2.8
139.07568	3.5
141.07021	6.0
142.07776	10.5
143.08557	7.5
144.09346	4.9
145.09103	1.5
145.10130	7.6
147.11699	3.7
149.05960	1.9
149.13269	4.9
151.07529	2.8
153.07011	1.7
155.08534	7.9
156.09383	1.4
157.10141	34.0
158.10864	1.6
159.11707	100.0
161.06000	1.6
161.13264	16.1
163.07578	1.3
163.14861	3.4
167.08586	2.1
169.10152	3.9
171.11707	3.6
173.09615	1.6
173.13266	4.7
175.11214	12.7
177.12762	5.8
179.08580	1.3
179.14345	1.5
181.10136	3.9
183.11716	6.0
185.13280	2.6
187.11185	1.3
187.14861	1.9
189.12720	2.4
193.10060	2.6
195.11635	6.0
197.13269	5.4
199.14821	2.2
203.10703	3.3
205.12225	9.1
207.11905	2.6
207.13835	7.5
209.13289	3.3
211.14874	2.8
221.13280	2.3
223.14917	1.7
225.16280	1.8
229.12364	1.7
235.14854	2.0
239.17992	1.8
241.12251	2.0
249.16324	2.3
251.17963	1.8
263.17981	4.6
295.17050	1.6
308.35605	1.1
309.18353	1.6
319.24295	11.3
321.25909	2.3
337.25150	6.5
365.24838	15.9
383.20840	2.5
383.25833	48.3
384.26132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
53.15297	2.7
53.39192	2.4
55.05503	8.0
57.07059	2.3
67.05506	27.7
67.32161	2.4
69.07076	15.6
70.35579	4.0
70.35939	10.5
72.76942	2.5
77.24836	3.0
79.05499	24.7
81.07063	55.1
83.04996	6.2
83.08606	3.2
85.06555	3.9
87.54066	2.5
91.05484	37.7
93.07049	39.0
95.04986	3.1
95.08613	45.6
96.34048	2.8
97.06546	6.3
98.20807	3.1
103.05464	3.8
105.07040	78.6
107.08604	37.4
109.10168	9.5
111.04439	3.3
115.05453	4.5
117.07021	42.1
119.08578	63.2
121.10169	17.6
122.70879	2.7
123.11720	5.5
125.06004	4.6
128.06224	3.6
129.07053	12.0
130.07811	2.8
131.08569	33.8
133.10133	26.1
135.11699	15.8
137.06006	5.2
141.06963	3.7
142.07826	3.7
143.08580	18.8
144.09358	7.1
145.06523	3.1
145.10121	26.7
147.04434	4.0
147.11699	22.1
149.06032	6.3
149.13258	13.5
155.08597	7.1
157.10152	25.8
158.87367	3.1
159.11711	89.3
159.13039	4.7
161.06020	3.9
161.13261	64.0
162.13600	3.5
163.07596	5.5
163.14847	9.3
164.95311	3.4
169.10130	11.1
171.11655	15.8
173.13242	28.5
175.11276	8.5
175.14841	27.8
177.12766	14.1
179.08583	3.6
179.14337	3.0
181.10280	3.1
183.11765	9.2
185.13329	13.0
187.11203	10.7
187.14888	6.8
189.12764	5.1
195.11734	7.7
197.13297	10.2
199.14880	7.6
203.10658	6.4
205.12253	76.2
205.14151	4.2
206.12956	2.8
209.13347	8.2
211.14856	6.0
213.12593	3.1
213.16397	4.2
223.14973	7.0
225.16425	7.2
237.16495	5.6
239.18028	6.0
243.13879	4.8
251.18030	4.2
263.18121	4.3
277.19528	5.7
316.66953	2.5
319.24228	21.6
321.25803	6.7
337.25284	46.9
339.26935	5.4
347.23837	3.4
355.26337	8.5
365.24811	27.4
383.25891	100.0
384.26294	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70055	2.0
53.03938	5.8
53.34074	2.4
54.78279	2.1
55.05523	12.3
57.03447	2.3
57.07077	2.7
65.03961	2.9
67.05506	33.8
69.07069	23.6
71.04962	2.2
71.57095	2.2
73.67285	2.2
79.05500	33.2
81.07059	71.5
83.04987	6.6
83.08612	3.9
85.06546	5.1
85.82004	2.4
91.05479	41.5
92.03708	2.1
93.07046	47.4
95.04967	6.4
95.08603	57.7
97.06538	9.2
97.10177	4.4
103.05487	2.5
105.07034	92.4
107.04946	3.2
107.08586	36.0
109.06522	4.6
109.10173	14.1
111.04465	3.3
111.08073	5.0
115.05451	5.3
117.07027	45.2
119.08586	65.6
119.99969	1.9
121.06519	4.2
121.10147	27.9
123.04461	3.2
123.08049	2.9
123.11702	4.3
125.05979	8.3
128.06224	5.5
129.07002	14.5
131.04907	3.0
131.08575	40.0
133.10138	31.8
135.04417	7.0
135.08084	3.5
135.11703	14.5
141.06985	7.2
142.07797	9.0
143.08574	24.2
144.09349	8.8
145.06544	2.4
145.10139	34.1
147.08099	2.6
147.11697	21.6
149.05942	6.8
149.09631	2.9
149.13286	14.1
155.08554	14.4
156.09416	3.7
157.10129	37.6
158.10825	2.5
159.08076	3.5
159.11699	100.0
160.12294	2.4
161.09682	4.5
161.13260	62.2
163.07571	6.3
163.14845	7.4
167.08589	4.6
168.09358	3.3
169.10103	16.4
171.11655	20.9
173.13263	27.3
175.07491	2.6
175.11183	13.1
175.14824	11.4
175.50783	2.8
177.09123	2.8
177.12769	13.1
179.08615	3.4
180.09386	2.5
181.10153	9.3
182.11041	5.1
183.11688	15.2
185.13274	13.5
187.11237	12.2
187.14838	7.5
189.12857	2.9
193.10159	6.1
195.11766	11.9
197.13313	13.7
199.11220	3.3
199.14818	10.5
201.09142	2.6
201.12732	3.1
203.10719	5.8
205.12250	85.0
206.12666	3.1
207.11746	4.9
207.13885	4.5
209.13229	10.2
211.11325	3.0
211.14803	10.7
213.16402	3.5
215.14377	2.6
217.12318	2.6
221.13287	7.0
223.14833	8.8
225.16345	11.0
227.17967	2.4
231.13834	5.2
235.14896	6.6
237.16438	7.3
239.18018	6.0
241.19608	4.1
243.17542	3.9
249.16449	6.5
251.17935	5.1
253.19521	3.4
255.17427	2.7
263.18085	9.2
264.18600	3.7
265.19543	4.3
277.19550	3.1
279.21075	3.7
281.19043	5.6
291.21198	3.0
293.22672	5.6
299.20142	3.6
309.18506	4.7
319.24191	34.0
320.24783	2.5
321.25836	6.9
337.21368	4.5
337.25272	53.8
338.25720	3.3
339.26996	6.9
347.23706	2.6
355.26294	13.8
365.24783	32.9
383.15121	4.3
383.21030	4.0
383.25873	79.2
384.26260	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	383.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	0.7
57.03434	2.0
58.92923	0.6
68.05024	0.9
69.03424	1.3
70.06593	1.3
71.04986	2.5
72.61709	0.6
74.02432	0.8
79.05525	1.0
85.02914	5.6
86.09708	1.2
91.05466	0.8
107.04963	0.8
107.08565	0.9
115.44596	0.8
117.06985	0.7
119.08588	0.7
129.05463	1.2
130.86845	0.7
133.06587	0.7
145.07610	1.6
159.09186	1.6
160.09903	0.7
162.09187	1.0
163.08635	0.7
173.10771	3.8
174.09186	1.6
175.09927	0.7
176.10721	1.6
181.05045	0.8
184.11264	0.7
186.12964	0.7
187.09918	0.8
188.09364	0.9
188.10754	4.3
191.08147	2.1
200.10803	4.3
201.10213	1.5
201.12149	0.7
201.13799	4.0
202.12346	8.0
203.11777	8.9
204.10248	0.8
205.09734	3.7
207.07655	0.7
211.12280	1.3
212.10747	2.1
213.13716	0.6
214.12360	4.6
216.10263	1.4
219.11322	15.0
221.12291	0.7
227.11829	0.7
229.13383	14.1
230.11823	2.7
237.09943	0.7
242.11728	0.9
243.11319	5.6
245.13113	0.7
246.09982	3.7
247.10747	0.7
247.14439	14.0
257.12860	1.6
258.11380	3.8
259.12054	1.8
260.12640	2.6
269.09433	1.0
270.09668	0.8
271.14374	1.5
273.12381	15.0
275.13922	100.0
276.14282	2.6
282.10062	1.2
287.13889	1.5
288.12378	6.6
299.13940	22.3
305.14960	29.5
306.15482	0.9
311.13846	2.6
329.14868	5.4
347.15912	2.8
365.17160	17.9
366.13046	1.1
383.13745	1.2
383.18213	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.5
67.05512	27.7
69.07065	15.9
70.68734	12.5
79.05497	30.5
81.07060	61.0
83.08622	7.0
85.06577	3.9
91.05489	41.3
93.07056	47.9
95.04988	5.1
95.08614	44.2
97.06548	10.2
105.06386	6.3
105.07040	79.7
107.08610	38.4
109.06496	4.1
109.10167	8.4
111.04436	4.6
111.08088	5.4
111.57960	4.2
117.07030	60.4
119.08589	59.5
121.06544	4.1
121.10152	20.0
123.04440	5.3
123.11733	7.1
127.43874	3.8
128.06206	4.1
129.06995	13.4
131.08572	35.0
133.10153	28.3
135.08070	4.2
135.11699	14.9
141.07007	5.2
142.07793	5.8
143.08537	18.1
143.59732	3.9
144.09319	7.2
145.10159	23.0
147.11668	16.6
149.05994	6.3
149.13298	10.4
151.07567	7.2
155.08568	5.8
157.10159	27.3
158.10428	3.8
159.11711	100.0
161.13274	60.1
163.14876	11.3
167.08485	4.8
169.10136	11.1
171.11678	17.4
173.13312	19.2
175.11293	6.6
175.14853	20.1
177.12814	30.6
181.10085	6.6
183.11748	12.8
185.13249	9.4
187.11165	10.4
187.14865	7.7
189.12669	5.1
196.63286	3.8
197.13239	9.5
199.14839	8.6
201.12758	4.7
203.10677	7.1
205.12259	81.4
206.12721	4.7
207.13753	4.5
209.13319	5.9
213.16444	4.8
225.16370	4.6
235.14850	4.5
237.16545	5.9
241.12329	4.1
246.17181	4.1
251.17950	3.7
263.17853	4.1
271.58792	4.2
319.24170	27.4
321.25769	7.8
337.25241	48.8
339.26807	5.0
355.26450	12.1
365.24747	16.8
383.18552	5.2
383.25928	81.8
384.26266	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	383.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76766	1.0
55.01862	1.3
55.58789	1.1
57.03426	2.1
61.02922	1.7
69.03440	7.4
71.04988	1.4
71.08083	2.0
76.90649	1.0
91.05490	1.6
95.04958	1.8
98.02708	1.1
99.04459	2.0
123.04390	1.2
133.07645	4.4
145.07597	8.5
159.09294	1.0
161.07216	1.9
163.08672	12.7
175.08679	4.2
189.06543	7.4
189.10333	1.1
201.10225	2.7
207.07663	75.1
207.94072	1.0
232.07127	8.2
245.38591	1.2
249.12245	1.4
261.12430	1.4
279.13477	6.5
305.11325	2.6
316.37878	1.1
323.12369	30.1
348.11795	2.6
353.01358	1.1
366.12988	100.0
367.13226	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	383.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48900	1.2
53.03957	1.2
55.01891	1.1
56.96580	1.7
57.03432	3.8
61.02916	3.2
69.03445	11.1
69.86222	2.4
69.86629	3.3
70.06596	2.9
71.05011	1.6
72.08146	3.8
73.02917	3.9
81.03438	7.8
82.02956	1.2
84.08112	1.1
85.02914	27.1
86.09728	1.2
87.48974	1.1
91.03934	1.7
91.05484	1.5
94.06587	2.7
96.04525	1.4
97.02908	9.3
97.48116	1.1
98.20792	1.0
98.97583	5.4
99.04443	2.0
101.00862	2.4
109.02872	4.5
110.07172	3.4
118.06542	1.6
119.01934	4.4
123.04459	3.0
127.03963	5.6
130.06543	44.9
132.04469	20.4
136.07532	2.1
137.05963	3.9
138.05496	1.6
139.03935	2.5
143.01857	2.3
144.08064	10.2
145.05067	2.9
145.07628	3.2
146.06006	7.4
146.99649	1.3
147.04388	1.4
148.07516	1.6
154.06564	1.9
155.01875	1.3
156.08101	2.2
157.03513	1.6
157.07620	22.4
158.06024	60.4
159.09201	5.3
161.02983	3.3
162.05513	2.8
167.07181	2.0
169.07567	1.6
170.06013	1.7
171.09181	2.2
172.07587	3.3
173.02980	1.8
174.05440	7.7
175.08690	92.5
176.07115	2.7
176.08963	1.2
183.09192	2.5
185.07133	15.5
186.05609	1.7
187.08673	2.5
188.07085	1.6
197.03014	1.6
199.08723	5.7
200.07080	11.7
203.08195	12.2
204.06618	6.1
217.09738	14.6
219.01822	1.4
221.09232	100.0
222.07617	1.9
231.07684	12.0
235.08141	1.3
237.02855	2.2
243.07706	3.4
245.05173	2.2
245.09282	4.0
257.08887	2.1
263.04114	1.4
263.10312	23.2
281.09174	1.2
299.10242	13.4
310.19089	1.2
311.10284	2.9
323.09729	1.7
347.12500	5.6
365.13394	4.3
383.07025	1.6
383.13651	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	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
56.96569	6.0
57.03441	3.6
59.41021	1.8
61.02931	7.0
67.05519	3.3
69.03436	15.6
69.07035	1.9
70.02953	1.9
70.06590	4.3
70.49313	6.5
71.04975	1.9
72.08144	4.1
73.02908	6.3
74.02441	1.8
77.01335	1.7
78.02148	1.9
81.03409	10.0
82.02920	2.3
84.08140	2.6
85.02421	3.8
85.02912	51.9
91.05466	4.0
94.06554	3.7
97.02905	20.1
98.06071	2.2
98.97575	12.8
99.04462	4.6
103.03928	3.6
103.05479	2.9
106.06530	2.2
109.02921	5.9
110.07179	3.6
115.05503	2.3
116.98618	7.9
118.06558	7.6
119.01922	6.4
119.04974	2.9
121.06534	2.9
123.04448	5.4
127.03921	11.4
128.98582	4.3
129.05629	2.3
130.06532	72.1
132.04457	20.1
132.08099	7.1
134.09540	2.0
134.99652	2.5
137.05963	7.9
139.03969	4.3
143.01849	2.4
143.07372	2.7
143.59572	2.0
144.06969	3.2
144.08075	27.1
145.05106	3.1
145.07603	26.8
146.06041	14.5
146.99654	2.6
147.04434	3.1
148.07565	5.2
149.05934	1.8
154.06551	5.7
156.06880	2.1
156.08067	4.5
157.07623	70.0
158.06023	56.1
158.99677	3.6
159.09225	7.4
160.07593	5.4
161.02953	3.7
167.07106	6.4
169.07570	8.9
170.05956	2.6
170.08360	2.9
171.09180	7.4
172.07507	9.3
173.02975	2.7
174.05516	9.2
175.08672	68.8
176.07176	3.0
177.00687	3.3
177.05490	4.2
179.06984	2.1
181.07596	4.4
182.08418	2.2
183.09227	15.6
184.05960	1.8
184.07657	2.9
185.02969	3.5
185.07114	11.5
186.05588	4.3
186.07916	3.8
187.08652	2.9
188.07086	2.3
190.04900	2.9
190.08682	2.8
197.02945	2.7
199.08708	17.2
200.07118	21.3
203.08165	100.0
204.06612	5.3
209.07138	10.5
215.08224	5.3
216.06636	3.0
216.08873	3.2
217.09724	37.7
219.01852	4.4
221.02946	3.0
221.09213	62.3
221.11337	3.5
227.08160	14.5
228.06609	3.3
231.07655	7.0
234.98906	3.6
237.02754	4.7
241.78539	2.3
245.05214	2.7
245.09207	28.6
246.04106	3.2
263.08005	1.5
263.10324	43.3
266.07999	2.3
275.09906	2.0
293.56473	3.0
299.10223	6.1
301.11710	2.0
311.10226	3.4
329.11453	4.6
344.02957	2.0
347.12378	11.2
347.16138	2.9
348.11002	8.8
365.13452	32.8
383.14319	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95538	0.6
55.05535	0.6
57.03436	0.7
57.78695	0.6
70.06598	1.2
71.04967	0.9
71.57738	0.9
73.02907	0.6
81.07050	1.0
84.08149	0.8
85.02412	0.5
85.02914	2.1
85.06529	1.4
95.04956	0.9
97.02872	1.4
105.07014	0.7
112.41117	0.7
124.07619	0.7
127.03898	0.7
131.04135	0.6
132.98421	0.7
136.06126	0.7
137.06010	2.1
145.04865	0.7
146.09590	0.8
173.10776	1.4
174.05348	0.7
174.09137	1.0
176.10725	1.4
185.15419	0.7
188.10760	1.5
200.10793	2.3
201.10173	0.9
201.13881	1.3
202.12469	1.4
203.11810	7.7
205.09801	1.1
214.12315	2.7
215.11729	1.0
219.11322	4.6
221.07797	0.9
229.13431	5.7
230.11752	1.9
241.13268	0.7
242.11819	0.9
243.11276	1.4
247.14417	3.8
257.15518	0.9
258.11270	1.5
259.11975	1.1
260.12979	1.2
270.09897	0.8
273.12384	5.2
275.13928	38.4
276.14319	1.3
287.13965	1.8
288.12161	3.5
299.13861	7.4
299.16504	0.8
305.14972	16.0
310.33728	0.6
311.13840	1.2
329.14920	4.4
347.16116	4.1
365.17157	3.9
383.13153	100.0
384.13596	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	382.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.6
64.56152	0.3
67.69248	0.4
69.42407	1.8
69.42826	1.0
71.95269	2.5
81.86060	0.4
84.23716	0.3
98.97591	89.3
113.12482	0.4
116.98632	67.5
117.98994	0.3
131.00201	0.6
134.99672	32.3
135.99991	0.4
140.00220	1.7
149.01291	0.4
153.00726	3.9
158.01331	1.4
177.00957	0.6
181.97525	0.5
199.72162	0.3
216.98724	1.4
217.98982	0.4
219.02011	0.9
220.02190	0.4
234.99956	3.2
235.99936	0.6
240.98659	6.1
258.99799	71.3
260.00055	2.3
261.00299	0.4
261.03107	1.4
263.02853	0.7
273.01437	1.0
274.97928	0.6
277.00848	100.0
278.01059	3.1
279.01016	0.9
282.01416	2.4
282.99942	3.8
284.00165	0.6
284.99875	0.5
291.02420	1.3
295.01862	0.9
300.02460	2.8
301.01038	6.1
302.01245	0.9
303.00922	0.6
316.98801	0.7
317.98978	0.4
334.92621	0.5
359.00632	1.2
360.00082	0.6
376.93622	0.4
377.02386	0.6
383.00070	1.6
400.93402	0.8
400.95575	0.5
401.01135	10.0
402.01074	0.9
406.87985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.8
60.06163	3.7
60.20390	4.1
67.05506	23.9
69.07069	27.9
71.03118	9.4
79.05495	35.6
81.06352	3.7
81.07062	68.9
82.07375	3.5
91.05477	55.2
92.05832	6.1
93.07059	43.8
95.04951	13.0
95.08620	35.7
97.06535	5.5
103.05495	5.3
105.07040	100.0
106.07356	4.9
107.08607	33.6
108.08925	6.7
109.06542	6.2
109.10183	10.4
115.05462	5.9
117.07024	40.1
119.05077	3.6
119.08581	62.6
120.08910	5.0
121.10141	21.1
123.11704	3.9
125.05996	5.0
129.07002	9.3
131.08586	45.7
133.10123	26.9
134.10492	6.5
135.04454	5.1
135.08086	10.9
135.11702	14.2
142.07744	8.9
143.08617	11.2
144.09358	6.7
145.10133	27.0
145.13007	3.7
146.10486	3.9
147.11707	13.5
149.05991	6.8
149.13370	4.5
155.08583	8.1
157.10155	26.7
159.11703	98.0
160.11978	8.6
161.13266	99.3
162.13641	8.5
163.07542	5.6
169.10144	15.0
170.10255	4.9
171.11694	11.8
173.13266	8.3
175.11166	8.7
176.11496	4.1
181.10023	6.8
183.11674	10.4
185.13239	9.4
187.11163	7.9
191.10570	3.9
194.10736	3.7
195.11705	9.1
196.12155	6.4
197.13287	10.0
203.10561	6.6
204.11005	4.2
205.12215	35.1
207.11806	3.9
211.14798	4.5
223.14786	7.9
235.14838	7.0
239.18149	4.3
249.16438	6.9
251.17957	7.0
263.18060	4.2
297.18552	6.6
308.24612	4.9
319.24295	26.9
336.23856	19.9
337.25208	9.3
365.24796	53.7
382.24435	38.4
383.25909	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25611	1.2
55.01867	2.4
55.05510	4.2
59.05011	3.1
61.02934	2.0
67.05492	2.8
69.03434	7.5
69.07073	5.8
71.05000	9.0
71.42218	2.9
79.05495	6.0
81.03431	2.3
81.07073	9.8
83.04977	8.5
84.08151	2.2
84.34200	1.2
85.02912	17.2
87.04456	1.5
91.05531	2.4
93.07069	6.7
95.04967	7.0
95.08619	6.4
97.02908	4.6
97.06546	5.4
99.04493	1.8
105.07037	2.4
107.08608	17.4
109.06480	2.5
109.10152	14.7
110.07178	4.0
111.11743	1.7
113.86485	1.4
114.09196	1.3
115.07558	1.7
118.95133	1.2
121.10147	9.3
123.08086	6.4
125.05997	2.1
125.09640	16.4
127.03873	1.8
136.08806	2.5
137.09621	15.2
139.11194	20.5
141.09108	2.0
145.04941	1.7
149.09618	4.2
155.10660	10.3
157.12265	2.9
159.06847	2.8
167.10689	51.9
168.11020	1.5
174.05576	1.8
176.07285	1.2
178.05019	4.0
178.78783	1.3
185.11736	36.3
185.13402	2.0
192.06525	1.5
202.08743	1.3
203.12798	100.0
205.07320	2.5
220.06110	4.5
220.09720	25.7
382.15555	3.0
382.20517	1.6
383.13217	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	381.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.05516	26.9
57.07073	11.7
62.17188	2.2
67.05177	4.1
67.05510	54.1
69.06725	2.8
69.07071	32.4
69.90932	4.2
69.91335	8.1
71.04979	7.6
71.08609	6.5
79.05498	35.6
81.07063	72.2
83.04987	5.0
83.08621	32.8
85.06529	4.1
89.84082	2.6
91.05469	8.2
93.07050	41.8
93.22829	2.0
95.04960	5.4
95.08614	74.6
97.06538	36.8
97.10187	13.9
99.08073	4.3
105.07034	9.7
105.66994	2.4
107.08590	28.7
109.10167	37.7
111.08085	7.4
111.11695	6.6
117.07006	3.7
119.08562	9.1
121.10149	42.2
123.08006	2.8
123.11727	12.4
125.09599	2.7
131.08565	4.5
133.10132	5.9
135.11693	32.7
137.13220	5.2
145.10126	5.3
147.11713	4.6
149.13245	14.6
151.14842	3.0
157.10149	5.8
159.11649	6.2
161.13229	4.9
163.14789	6.0
197.13310	3.6
216.36273	2.2
317.31900	3.7
327.30203	2.2
345.31485	42.5
363.32590	100.0
381.23953	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	382.1709
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.03424	6.4
59.05010	2.8
61.02921	3.5
67.05489	2.4
69.03439	5.8
69.07075	2.7
69.89939	5.6
69.90350	4.9
70.02950	2.9
70.06590	9.5
71.04972	2.2
72.04515	9.3
73.02914	10.7
79.05450	2.1
81.07069	5.3
81.32440	2.3
82.06580	5.5
83.04971	3.5
84.08130	3.2
85.02910	14.0
85.06544	5.0
86.09701	3.7
87.08125	1.9
90.05557	64.9
90.94852	2.6
91.05499	2.4
93.07021	3.7
95.04972	5.6
96.08137	3.5
97.02885	4.5
97.06541	2.6
98.02427	7.3
98.21478	4.0
100.07600	17.7
103.07581	3.0
105.07056	3.1
107.08564	3.1
109.02934	2.6
114.09157	3.0
116.03451	9.9
116.07120	2.5
120.08103	6.0
121.82014	2.2
124.06824	2.1
124.07579	14.3
125.09623	4.1
127.03930	2.5
128.07086	47.7
130.06526	3.0
131.08565	2.3
132.95938	2.3
134.43687	2.3
139.11145	2.1
142.08633	7.8
142.09785	2.2
160.09706	2.5
161.10944	2.2
167.10619	2.9
174.11244	2.4
184.09692	13.5
185.11801	2.4
202.10741	25.2
203.08180	2.3
207.11226	4.3
219.17609	2.4
220.06064	3.6
220.09796	7.2
220.11789	100.0
221.09250	2.0
221.12622	3.9
230.08076	3.9
234.98979	2.4
281.65503	2.2
297.14514	3.4
336.21722	9.7
364.21182	20.1
365.14093	3.0
380.72357	2.4
382.13290	7.3
382.22217	16.4
383.09229	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	381.2427
Annotation	dinor-Spiculoic acid A
Peak:m/z	Relative Intensity
55.05512	5.9
67.05504	17.8
69.03430	8.3
69.07059	10.5
69.28699	1.6
69.51355	4.2
69.51776	9.9
72.37809	2.1
79.05501	20.6
81.07062	41.4
91.05481	38.1
93.07055	23.9
95.08607	13.4
97.06540	5.9
102.27534	1.8
105.07038	49.2
107.08607	16.9
109.06531	5.2
109.10151	3.5
111.08113	1.8
117.07033	23.7
119.04961	6.2
119.08593	33.1
121.06497	4.0
121.10153	6.8
123.08037	2.7
125.05957	2.3
128.06168	2.5
129.07033	12.9
130.07780	3.2
131.08583	30.1
133.06418	2.3
133.10146	14.2
135.08070	14.8
135.11728	4.5
141.07011	2.4
142.07777	5.8
143.08569	9.7
144.09341	6.6
145.10146	20.1
147.08102	3.8
147.11681	5.8
149.13298	4.8
155.08585	10.2
157.10136	20.9
159.08102	3.2
159.11707	100.0
160.12244	2.3
161.09627	5.9
161.13266	50.5
163.14877	3.2
167.08551	4.1
168.09285	2.0
169.10147	6.7
171.08067	2.6
171.11639	9.2
173.09653	10.4
173.13307	5.9
174.10425	3.0
175.11195	13.5
175.14879	2.6
177.12794	2.3
181.10144	5.3
183.11670	6.7
185.09579	2.5
185.13284	4.3
187.11159	2.8
193.10164	2.1
195.10085	1.7
195.11688	11.1
197.13289	8.6
199.11185	2.3
199.15053	2.3
201.09067	2.4
201.12602	2.0
203.10661	12.0
207.11761	3.5
207.13718	2.7
209.13284	6.7
211.11261	1.8
211.14752	2.7
213.16391	2.2
221.13394	3.4
221.29233	2.0
223.14804	4.1
225.12851	3.4
225.16502	3.1
235.14813	3.8
237.16420	3.2
239.18092	3.3
249.16408	8.1
251.17975	25.4
261.16385	2.2
275.17892	2.6
282.74380	1.8
313.18060	3.8
317.22699	7.4
325.18161	2.4
335.23755	36.5
337.25125	2.6
345.22137	2.5
353.24878	2.5
363.23199	8.7
381.24261	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05502	4.2
56.08361	1.4
59.13562	1.5
65.03953	2.0
67.05510	8.8
69.07077	30.6
71.12901	3.0
79.05132	1.4
79.05503	15.6
81.07068	18.1
83.08610	3.7
89.42150	1.5
89.42711	1.6
89.43317	1.7
91.05485	79.7
91.85723	1.7
93.07040	14.1
95.04983	1.9
95.08620	12.7
97.06532	3.0
105.07034	55.2
107.08591	11.9
109.10197	4.1
111.04426	4.0
115.05435	2.1
117.07016	4.7
119.08583	23.8
121.10149	5.5
125.06000	25.9
129.06981	1.7
129.30235	1.5
131.08572	4.1
133.10133	7.4
135.08066	100.0
135.11671	3.0
139.07570	8.2
139.20471	1.4
142.07719	2.0
143.08549	2.2
145.06471	2.5
145.10054	9.1
147.08151	2.4
147.11696	8.7
149.06068	1.9
149.09601	3.9
149.13239	4.6
151.07567	2.9
155.08578	2.7
157.10159	3.3
158.07300	6.8
158.72647	1.7
159.08101	3.0
159.11646	3.3
160.08884	9.1
161.09628	22.2
161.13245	22.3
163.14870	8.9
171.11720	1.5
171.77342	1.9
172.08803	2.7
173.09633	53.4
173.13315	2.8
175.11185	42.2
175.14763	2.3
179.14259	1.9
185.09624	14.3
187.11140	5.6
189.12747	5.2
199.11266	3.9
207.12073	1.8
207.13890	6.6
210.10442	1.7
211.11168	8.0
213.12778	1.5
223.11171	2.8
225.12697	3.8
227.14261	2.6
237.12762	1.9
239.14279	3.3
253.15881	2.3
257.11700	4.0
265.15900	4.7
267.17389	2.2
279.17368	4.3
287.66699	1.6
299.16116	1.8
325.18051	3.3
335.23666	22.7
353.24829	2.6
363.23276	3.0
381.24301	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	381.2428
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
51.38907	1.2
53.03938	2.0
55.05518	10.3
61.20023	1.2
65.03954	1.5
65.43524	1.1
67.05239	1.0
67.05516	13.2
69.03444	3.3
69.07075	17.9
71.17531	2.7
79.05496	14.2
81.07068	27.3
83.04981	6.6
83.08621	4.7
91.04969	2.2
91.05490	29.7
93.07046	19.7
95.04978	4.8
95.08611	18.5
97.06533	5.8
97.10161	1.8
103.05461	2.3
105.07043	33.8
107.04950	3.2
107.08605	13.5
109.02865	2.1
109.06520	4.2
109.10156	8.1
115.05492	3.7
117.07024	16.0
118.61480	1.5
119.05009	2.1
119.08598	22.2
121.06509	5.0
121.10151	7.2
123.08090	2.2
123.11709	4.4
125.09656	1.4
128.06232	3.1
128.68578	1.4
129.07002	9.3
130.07768	2.2
131.08585	16.2
133.06535	4.1
133.10162	11.9
135.04341	1.4
135.08067	9.6
135.11679	4.2
137.09538	1.4
137.13284	6.6
141.07027	4.6
142.07790	4.9
143.08572	12.4
144.09315	2.1
145.06517	4.7
145.10144	11.0
147.08080	5.4
147.11725	4.1
149.05977	2.0
149.09605	2.3
149.13284	5.9
151.07573	2.8
151.11240	1.9
153.07007	1.4
154.07797	2.0
155.08562	11.8
156.09312	3.5
157.06490	2.8
157.10147	15.4
158.07317	2.0
159.08070	5.0
159.11708	19.6
161.06104	1.3
161.09645	2.0
161.13266	24.8
163.07582	5.7
163.14803	1.7
165.06984	3.7
166.07869	1.7
167.08553	5.7
168.09398	1.4
169.10152	9.5
171.08067	5.9
171.11714	11.8
173.06047	1.5
173.09650	9.8
173.13249	2.1
175.07581	1.7
175.11169	2.4
178.07831	1.4
179.08545	4.5
179.14351	1.9
181.10159	12.6
182.10936	1.5
183.08063	2.4
183.11761	8.3
184.08897	4.3
185.09604	5.3
185.13329	2.4
187.11200	2.8
189.12843	1.4
191.08543	1.6
192.09323	2.4
193.10126	6.8
195.11800	7.2
197.09709	2.7
197.13263	5.5
199.11211	13.9
201.09164	2.2
203.10707	4.1
204.09421	2.0
205.10187	3.2
205.12163	1.5
206.10985	2.2
207.11761	4.3
209.09618	3.4
209.13243	4.3
211.11217	5.7
211.14851	2.1
213.12814	2.2
215.10751	2.3
217.12195	2.4
219.10078	1.9
221.11461	1.4
221.13289	5.0
223.11319	1.5
223.14836	3.0
225.09224	1.4
225.12804	3.0
225.16299	1.7
227.10750	7.6
229.12378	2.1
231.11699	2.0
233.13293	2.9
234.10332	1.4
235.14885	5.9
237.12762	2.2
239.14336	4.6
241.12234	1.9
245.11722	38.2
247.14914	2.3
249.12846	2.6
249.16408	1.7
253.12508	1.5
253.15910	4.2
261.16428	1.4
263.14392	3.5
265.15961	1.5
267.13818	7.3
277.19498	3.9
279.13788	4.2
281.15405	5.8
285.14853	18.4
289.19278	1.6
289.25220	1.4
293.15402	3.6
293.18707	1.3
299.16452	23.9
307.17035	2.3
311.16409	10.1
317.22641	2.9
321.18634	2.0
323.20032	1.5
325.17969	5.5
335.23810	4.2
345.22150	1.8
353.24927	1.7
363.23315	13.0
381.24261	100.0
382.24530	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	381.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01870	1.5
55.05511	7.8
57.07076	1.6
57.61365	1.3
67.05499	12.8
69.07069	16.3
69.46566	1.5
71.36012	2.2
73.37516	1.4
73.64616	1.4
79.05494	10.6
81.07052	17.1
83.04971	2.2
83.08620	4.2
86.25453	1.4
91.05490	18.0
93.07060	15.0
93.58075	1.4
95.04984	3.0
95.08601	14.1
97.06516	4.2
103.05487	2.0
105.07037	20.6
107.04993	2.0
107.08575	6.5
109.02905	1.8
109.06486	3.0
109.10123	3.1
111.08023	1.7
115.05473	2.1
117.07009	7.5
119.08597	11.4
121.06531	5.0
121.10144	4.0
123.08089	2.6
123.11687	1.3
125.09600	1.6
128.06221	2.3
129.07022	6.7
131.04951	1.7
131.08546	10.5
133.06499	3.5
133.10089	7.5
135.08061	3.4
135.11650	1.8
137.13257	5.6
141.07002	5.6
142.07809	4.5
143.08551	9.8
145.06477	3.6
145.10085	9.4
147.08051	4.5
147.11668	2.1
149.13284	4.6
151.07645	2.6
153.06918	1.8
155.08522	9.0
156.09401	3.3
157.10101	8.7
159.08069	5.8
159.11681	5.4
161.09599	3.2
161.13268	17.8
165.07033	2.2
166.07716	1.7
167.08568	3.3
168.09485	2.0
169.10100	9.0
171.11676	8.8
173.09616	10.2
173.13304	1.7
175.11211	1.6
178.07773	2.5
179.08504	3.3
181.10100	10.1
183.11745	7.6
184.08838	3.2
185.09636	5.8
185.13263	2.0
192.09460	1.8
193.10182	4.9
195.08131	2.2
195.11696	4.9
197.09619	5.2
197.13283	4.0
199.11227	10.0
201.09155	3.2
203.10593	2.1
205.10249	1.9
206.10899	2.1
207.11736	2.6
208.72478	1.5
209.13309	2.8
211.11263	1.7
211.14783	3.5
213.12773	1.7
215.10741	2.1
217.10097	1.6
218.10822	1.5
220.12361	1.9
221.13281	4.5
223.14818	3.4
225.12843	2.8
227.10512	7.0
229.12355	2.2
233.13344	2.0
235.14803	4.1
237.12715	1.8
237.16270	1.6
239.14302	4.0
245.11707	28.8
251.18030	1.9
253.12175	2.0
253.15884	4.2
255.14032	1.6
263.14447	2.8
267.13779	4.9
269.11749	2.7
269.15591	1.6
279.13873	2.6
281.15335	4.6
285.14917	17.9
293.15140	1.9
299.16385	37.7
307.17017	3.0
311.16409	8.5
317.22784	2.2
325.18054	11.3
328.48016	1.6
335.23517	2.0
345.22171	2.0
353.20770	1.8
353.24628	1.6
363.23126	10.0
381.24237	100.0
382.24646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2425
Annotation	dinor-Spiculoic acid A
Peak:m/z	Relative Intensity
55.01869	4.9
55.05504	9.1
57.07055	2.9
57.14185	2.8
60.64434	2.5
65.27831	2.4
67.05489	12.1
69.07058	11.4
70.94704	6.2
77.28501	2.8
79.05496	20.4
81.07052	31.4
83.04969	4.1
83.08621	4.5
91.04967	4.2
91.05484	42.4
93.07054	34.7
95.04966	21.1
95.08601	29.6
97.06515	5.1
105.07039	48.9
107.08592	34.5
109.06533	26.5
109.10166	10.1
111.08086	5.2
112.82470	2.6
115.05447	5.4
117.07024	28.0
119.08593	45.6
121.06500	9.4
121.10145	22.8
123.08066	3.4
123.11724	8.3
128.06223	6.0
129.07007	8.5
131.08565	23.2
133.06538	2.9
133.10143	17.1
135.08072	38.7
135.11682	10.1
141.06941	4.6
142.07770	9.2
143.08620	15.0
144.09377	5.4
145.10132	24.4
147.08105	7.0
147.11697	25.6
149.05937	3.1
149.13277	14.5
151.07489	3.1
155.08553	8.6
157.10138	23.1
159.08018	3.9
159.11713	42.0
160.08813	4.3
161.09631	5.3
161.13249	23.8
163.07582	7.9
163.14789	4.0
168.09326	5.0
169.10120	11.1
171.11687	14.0
173.09621	8.6
173.13271	9.7
174.67560	3.2
175.11209	29.4
177.12759	16.3
181.10144	7.9
183.11720	8.5
185.09628	3.0
185.13255	8.1
187.11137	14.4
187.14821	4.3
189.12680	3.2
193.10110	4.6
195.11656	6.9
196.12447	4.0
197.13220	5.2
203.10710	8.4
205.12274	27.2
209.13324	9.1
211.11194	4.6
211.14836	6.3
213.12773	3.2
213.16316	4.8
221.13304	3.6
223.14760	5.2
225.16505	6.8
231.13808	2.9
233.13210	2.8
235.14851	4.0
237.16342	4.1
239.17880	18.6
249.16321	3.9
251.17892	8.8
253.16069	2.8
253.19553	9.9
261.16461	4.3
263.17932	3.2
265.15753	2.7
277.16071	3.3
279.17471	4.8
279.20895	3.2
293.22458	2.9
297.18567	5.2
299.20255	4.8
307.24261	7.8
317.22626	10.0
319.24011	4.0
325.18146	3.7
335.23672	54.9
337.25137	5.0
345.22003	3.1
353.24753	9.7
363.23264	13.3
381.24252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05501	9.2
58.33875	2.2
58.53816	2.1
62.01324	1.9
67.05512	17.4
69.07070	13.8
71.13491	5.2
78.22215	2.5
79.05498	19.8
81.06639	3.5
81.07060	38.9
83.04989	3.3
91.05485	22.6
93.07060	29.0
95.04974	23.3
95.08608	29.2
97.06538	4.4
105.07029	50.8
107.08590	24.1
109.06518	29.0
109.10165	10.4
111.08079	3.3
115.05491	2.9
117.07021	23.1
119.08589	35.7
119.09375	4.1
120.99733	2.4
121.06506	7.1
121.10158	15.4
123.08076	3.2
123.11713	4.8
128.06242	4.8
129.06993	7.2
131.08566	19.4
133.10144	15.6
135.07111	3.2
135.08060	46.6
135.11725	6.9
141.06987	3.3
142.07806	6.3
143.08540	13.8
144.09332	3.3
145.10141	26.1
147.08041	4.9
147.11710	20.5
149.05896	2.3
149.09636	2.4
149.13268	6.8
150.75830	2.3
151.07509	3.7
153.07085	2.9
155.08571	8.5
156.09369	5.8
157.10143	19.1
159.08061	2.8
159.11700	35.4
160.08763	3.1
161.09613	5.5
161.13281	10.7
169.10127	9.8
171.11722	11.5
173.09625	8.2
173.13225	4.5
175.07509	2.5
175.11185	26.1
177.12788	11.6
180.09314	2.4
181.10106	6.9
183.11685	7.9
185.09555	4.0
185.13272	5.5
187.11101	6.0
187.14793	5.1
193.10143	3.8
195.11684	7.8
197.13272	6.9
199.11253	2.3
199.14833	3.9
201.12769	4.7
205.12201	13.8
207.11581	5.7
208.12534	2.5
209.13322	6.9
211.14857	3.6
221.13322	3.9
223.11400	2.6
223.14911	3.8
225.16316	2.6
229.12236	3.2
235.15044	3.9
237.16449	3.9
239.17964	9.2
241.19603	2.5
243.13808	2.7
249.16504	4.0
251.18011	11.0
253.19485	5.3
273.32739	2.2
289.25327	3.2
297.18442	6.1
299.20166	4.1
307.24283	4.2
317.22559	8.8
325.17978	3.1
335.19785	3.4
335.23724	37.4
337.25266	4.7
353.24609	4.6
363.23120	7.8
381.24265	100.0
381.29233	5.3
382.24640	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	381.2428
Annotation	dinor-Spiculoic acid A
Peak:m/z	Relative Intensity
53.03940	3.0
55.01862	3.1
55.05523	7.5
57.03415	1.0
57.07062	1.9
59.04996	1.3
60.24151	0.9
65.78866	1.2
67.05513	10.2
69.03429	1.6
69.07074	9.8
71.04987	2.5
71.57074	1.0
74.17135	0.9
79.05511	8.8
81.07069	27.5
83.04973	1.3
83.08633	5.4
91.05481	12.9
93.07048	18.8
95.04961	2.9
95.08615	19.4
103.05499	1.2
105.07042	14.9
107.05009	1.3
107.08610	17.7
109.06577	2.2
109.10173	10.2
110.05490	1.1
111.08089	4.3
117.07002	5.7
119.08599	18.8
121.06489	2.7
121.10145	6.7
123.08046	1.5
123.11727	2.8
128.06230	1.9
129.07027	3.5
131.08560	7.7
133.06531	1.4
133.10150	8.4
135.08087	5.7
135.11737	7.3
137.09669	1.8
137.13284	3.9
141.06978	2.5
142.07800	2.9
143.08578	8.8
144.09378	1.5
145.06554	1.1
145.10150	12.5
147.08090	2.9
147.11711	3.3
149.05975	3.7
149.09599	1.5
149.13284	2.4
151.07559	2.1
153.12753	2.0
154.07748	2.1
155.08583	3.5
156.09393	5.8
157.06554	1.1
157.10153	14.3
159.08115	2.9
159.11720	13.1
161.09599	2.3
161.13322	6.7
163.07535	2.5
163.11151	1.1
165.07053	2.3
167.08556	1.2
168.09346	2.0
169.10146	8.7
171.08049	3.1
171.11700	7.7
173.09662	2.9
173.13286	3.4
175.07573	1.2
175.11183	3.6
177.09122	1.0
177.12785	3.3
179.08575	2.1
180.09380	1.8
181.10114	8.0
182.10925	1.7
183.08119	1.6
183.11671	6.5
184.08893	2.7
185.06010	1.6
185.09657	3.9
185.13284	3.3
187.07588	1.5
187.11255	3.7
187.14705	1.7
189.09129	1.8
193.10176	3.2
194.11000	1.3
195.11696	5.3
196.08891	1.1
197.09677	4.1
197.13278	3.4
198.10635	1.2
199.07513	1.2
199.11209	5.7
199.14799	1.2
201.09143	3.0
201.12788	2.7
203.10703	1.2
205.12282	2.6
207.11716	2.8
208.12408	1.8
209.09758	2.0
209.13182	2.2
211.11169	5.0
211.14957	1.4
212.08372	2.2
213.09137	4.5
213.12741	2.3
213.16551	1.2
214.10056	1.3
215.10692	4.9
217.12251	1.1
221.13359	2.4
223.11238	1.9
223.14886	2.7
225.09152	4.4
225.12724	1.8
226.09886	1.1
227.10663	14.3
227.14244	1.2
229.12260	3.6
233.13376	1.4
235.14911	1.4
237.12785	1.8
237.16618	1.0
239.10645	6.1
241.12225	5.9
241.15796	4.6
243.10179	1.4
249.16415	2.3
253.12337	2.2
253.15984	1.2
257.15341	1.1
259.10052	1.0
263.18063	3.3
265.19461	1.3
269.15405	9.8
271.17010	2.4
277.15814	1.1
281.18851	1.5
281.96530	1.1
283.17120	1.8
287.09589	1.3
291.17499	1.3
295.17020	1.5
299.16281	1.3
305.10727	2.1
307.16882	1.1
309.18533	27.1
311.16586	0.8
311.20062	15.8
317.22488	1.3
335.23694	6.9
345.22034	1.4
353.24847	5.6
363.23215	10.2
381.24283	100.0
382.24539	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	381.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.3
67.05505	20.0
68.66897	2.1
69.07068	14.0
71.32828	3.6
71.33201	2.0
79.05495	28.0
81.07059	41.7
83.04997	3.0
91.05491	51.3
93.07057	23.9
95.04967	7.7
95.08609	21.8
103.05475	4.4
105.07039	58.0
107.08604	21.9
109.06558	2.4
109.10174	6.2
111.04482	5.7
115.05466	9.5
117.07021	56.2
119.08591	39.8
121.06519	3.3
121.10165	11.6
123.11701	3.0
125.05985	4.8
128.06242	6.0
129.07010	25.5
130.07791	3.6
131.04977	3.4
131.08582	46.1
132.08902	2.2
133.06497	3.2
133.10150	19.2
135.04439	8.4
135.08055	3.3
135.11708	9.3
141.07053	10.0
142.07768	17.8
143.08589	15.5
144.09396	9.8
145.06473	2.8
145.10136	18.6
147.11699	12.9
149.05995	7.9
149.09546	2.8
149.13243	4.4
153.07030	4.1
154.07774	3.7
155.08559	20.9
156.09407	4.1
157.10124	43.5
159.08089	2.8
159.11697	100.0
161.05966	2.2
161.09605	4.8
161.13268	16.3
163.07585	10.6
163.14890	2.6
165.07018	5.1
167.08624	6.3
169.10078	11.5
171.11702	7.0
171.66844	2.7
173.09657	5.3
173.13289	6.8
175.11182	15.3
175.14859	3.1
177.12747	7.9
178.07814	2.4
179.08635	6.3
181.10034	9.9
182.10779	2.4
183.11757	10.3
185.09601	2.4
185.13246	6.6
187.11234	6.8
187.14824	4.0
189.12721	3.2
193.10143	5.9
195.11723	10.5
197.13228	3.5
199.14951	3.5
201.09117	2.6
203.10649	10.7
205.10315	2.2
205.12248	62.8
207.11790	6.7
209.13330	7.7
211.14851	4.5
213.09319	2.5
219.11641	4.3
221.13277	5.7
223.14789	4.1
229.12323	4.3
233.13257	6.5
235.14844	3.9
237.12848	2.1
237.16306	3.8
239.10692	2.7
241.12366	3.5
246.14143	2.8
247.14851	6.2
249.16418	4.9
261.16400	4.8
263.18024	2.8
275.17947	5.2
286.87756	2.3
289.19531	2.7
291.21021	2.5
317.22684	25.8
319.24207	5.7
321.14856	2.9
321.18561	2.7
335.20111	3.9
335.23703	27.4
345.21997	3.9
363.23303	18.7
381.24231	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75523	1.5
53.03938	2.2
55.05507	7.0
60.90815	1.5
67.05508	16.2
69.07067	10.1
70.39122	1.7
70.39465	4.6
79.05495	19.8
81.07061	32.0
83.08602	3.2
91.05484	35.1
93.07050	20.7
95.04952	4.3
95.08613	18.7
97.06535	3.9
103.05489	2.2
105.07037	46.2
107.08609	13.5
109.06491	3.4
109.10136	4.4
111.04443	4.2
115.05450	5.6
117.07021	45.7
117.56573	1.6
119.08588	29.6
121.06526	2.5
121.10123	7.6
123.11723	2.6
125.05988	4.9
128.06207	5.0
129.07022	22.1
130.07785	4.6
131.08559	37.8
133.10143	14.6
135.04420	4.2
135.08072	3.3
135.11703	6.3
136.11952	1.9
137.09550	1.7
141.06966	10.8
142.07803	12.5
143.08575	14.2
144.09332	6.8
145.10126	17.7
147.08028	2.6
147.11702	9.1
149.05984	4.4
149.09641	2.2
149.13304	2.1
153.07013	2.0
155.08540	13.3
156.09265	2.5
157.10147	44.1
159.11705	100.0
160.12154	1.6
161.09602	3.8
161.13242	12.9
163.07558	3.8
165.06969	2.5
167.08577	3.5
169.10124	9.7
171.11714	10.7
173.09584	3.7
173.13264	4.8
175.11176	10.9
177.12759	5.8
179.08598	4.8
180.09294	2.4
181.10124	5.8
183.11755	8.4
185.09695	2.5
185.13277	3.2
187.11205	4.6
187.14861	3.3
193.10132	7.3
195.11713	8.3
197.09650	2.6
197.13206	3.0
199.14838	2.4
203.10677	5.2
205.10275	2.9
205.12218	34.5
206.11058	1.7
207.11726	4.5
208.12532	1.7
209.13316	5.8
211.11023	1.8
211.14815	2.1
219.11729	5.1
221.13249	4.7
223.11166	1.8
223.14864	1.6
225.12767	2.0
225.16425	1.9
227.10583	2.5
229.12222	4.7
233.13257	2.8
235.14740	2.5
237.16367	2.7
246.12251	1.7
247.14949	3.9
249.16423	2.5
251.17995	1.9
255.17531	1.7
261.16446	5.6
263.17957	2.4
275.17908	2.1
289.19562	2.3
314.49493	1.7
317.22635	16.5
335.20273	2.1
335.23621	10.5
363.23227	12.7
381.24316	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69382	1.6
53.03947	3.2
53.88853	2.1
55.05505	7.8
55.54108	2.1
63.33395	2.1
67.05505	21.7
69.07088	9.4
69.40963	13.4
71.04987	2.2
73.18193	1.8
79.05498	30.0
81.07064	37.7
83.05003	4.5
83.08616	2.7
86.42471	2.0
90.41585	1.9
91.05486	51.5
93.07043	30.5
95.04968	6.2
95.08604	27.2
97.06524	3.6
98.20793	4.0
101.95033	2.2
103.05476	2.2
105.07035	62.5
107.08603	21.9
109.06550	5.3
109.10159	8.1
111.04469	6.4
115.05447	9.8
117.07024	65.4
119.08593	44.8
119.09251	1.2
120.20865	1.9
121.06538	3.4
121.10142	14.0
123.08024	2.3
123.11726	3.6
125.06041	3.1
128.06221	7.8
129.07008	27.4
130.07809	3.0
131.05013	2.4
131.08580	47.4
133.06505	3.5
133.10124	23.2
135.04413	7.7
135.08092	3.4
135.11725	9.2
137.05986	4.0
141.06972	13.1
142.07773	17.6
143.08577	17.7
144.09378	11.1
145.06535	2.0
145.10127	25.5
147.08038	3.0
147.11722	9.8
149.05965	5.3
149.13272	3.5
154.07771	3.9
155.08530	13.7
156.09387	3.6
157.08925	3.9
157.10139	44.7
159.11707	100.0
161.06006	3.7
161.09642	5.9
161.13225	13.2
163.07561	6.6
165.07022	2.6
166.07852	4.1
167.08531	3.8
168.09341	4.2
169.10141	10.8
171.11678	7.2
173.09651	7.1
173.13263	9.0
175.11200	18.1
175.14838	4.0
177.12755	6.8
179.08647	6.0
180.09271	2.4
181.10138	9.3
182.10831	2.4
183.11725	9.2
185.09695	3.1
185.13292	4.6
187.11169	6.8
187.14807	3.2
189.12717	2.6
191.08617	3.7
191.10602	2.7
192.09262	2.3
193.10254	9.1
195.11731	8.7
197.13257	8.6
199.14777	4.7
201.12761	2.7
203.10672	11.7
205.10210	5.0
205.12254	56.2
206.10939	2.7
207.11714	5.6
208.12346	2.5
209.13216	6.3
211.11165	2.5
211.14780	2.7
213.12859	2.4
215.10678	2.0
219.11664	5.5
221.13289	9.2
223.14822	4.6
225.12772	2.2
225.16417	3.1
227.14337	2.1
229.12204	5.4
233.13251	7.3
235.14798	2.9
237.16360	3.2
241.12314	3.9
247.14742	6.0
249.16472	5.4
261.16345	3.9
263.18134	2.4
268.44171	1.9
275.17953	6.6
279.13702	2.4
279.17245	3.1
289.19623	2.7
307.24435	2.2
317.22653	17.4
322.13293	2.5
335.23682	22.6
345.22266	3.0
353.24829	4.2
363.23254	18.2
381.19843	3.1
381.24265	49.7
387.22098	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.8
65.03971	3.6
66.34329	2.7
66.95811	2.4
67.05500	15.7
69.07069	8.0
70.71376	7.4
71.04982	2.3
76.41259	2.3
79.05498	21.5
81.07064	29.6
83.05007	3.0
83.08612	2.5
91.05487	47.6
93.07067	18.4
93.50376	2.2
95.04978	2.9
95.08619	20.4
96.37023	2.4
103.05496	4.5
105.06381	4.8
105.07041	54.5
107.05024	3.6
107.08617	18.5
109.10204	5.9
111.00015	2.5
111.04448	3.9
115.05474	4.9
117.07026	57.5
119.08581	33.2
121.06532	2.4
121.10144	8.4
123.04440	3.4
123.11716	4.4
128.06238	6.1
129.07016	22.8
131.08585	39.6
133.10143	20.1
135.04445	7.0
135.08058	5.8
135.11700	8.1
137.06021	2.6
141.07021	9.6
142.07817	14.6
143.08554	19.4
144.09315	7.5
145.06487	2.7
145.10136	20.4
147.08029	5.5
147.11714	8.7
147.53499	2.9
149.06023	4.3
149.13219	3.8
153.07005	3.1
155.08572	16.2
157.10156	44.5
157.11433	2.7
159.11694	100.0
161.09662	4.3
161.13249	15.9
163.07559	6.6
167.08641	5.1
169.10118	8.9
171.11731	8.2
173.09622	4.8
173.13290	7.5
175.11215	10.7
175.14763	3.6
177.12776	5.9
179.08510	4.4
181.10132	9.4
183.11705	9.7
185.13245	5.7
187.11172	7.5
187.14818	4.9
193.10188	6.7
195.11703	10.8
197.13286	3.5
199.14851	3.3
203.10689	8.5
205.10374	3.6
205.12234	53.0
209.13268	5.8
217.12479	3.4
219.11739	4.6
221.13165	5.0
223.14821	3.9
233.13306	6.6
235.14885	5.9
241.12314	4.7
247.14781	6.0
249.16446	4.5
261.16473	5.8
263.17960	4.6
275.17896	3.4
307.17020	4.1
317.22690	23.2
319.24265	4.9
321.57086	2.5
335.23596	16.0
363.23215	14.3
381.19730	3.2
381.24194	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	381.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
54.13760	1.1
55.01891	1.1
55.05502	4.7
65.25649	1.3
67.05171	1.5
67.05508	18.1
69.03404	1.2
69.07072	7.4
70.33825	5.0
79.05496	19.4
80.36674	1.4
81.07061	30.6
81.41602	1.6
83.08588	1.3
91.05484	39.8
93.07046	17.4
93.07567	2.2
95.04964	2.7
95.08612	18.5
97.06571	3.5
105.04564	1.7
105.07037	45.3
107.04983	1.5
107.08586	16.1
109.06569	1.7
109.10169	4.7
111.04435	1.9
115.05459	6.2
117.07021	46.7
119.04948	2.1
119.08580	32.3
121.06506	2.3
121.10120	6.4
123.11714	2.2
125.05981	2.9
128.06241	4.6
129.07014	21.0
130.07796	3.4
131.08571	41.2
133.06447	1.7
133.10126	15.6
135.04404	3.1
135.08061	2.4
135.11710	5.2
137.06036	1.3
141.06979	7.8
142.07782	16.1
143.08575	12.2
144.09349	10.6
145.06572	1.6
145.10135	17.8
147.04428	4.9
147.08034	3.9
147.11729	7.8
149.05974	4.8
149.13261	2.4
153.06947	2.2
154.07767	1.8
155.08572	13.2
156.09373	3.0
157.10147	38.8
159.11707	100.0
161.05991	2.3
161.09581	3.4
161.13283	15.3
163.07573	4.0
165.07088	3.0
166.07799	2.2
167.08598	5.4
169.10152	8.8
171.11697	7.4
173.09630	2.4
173.13239	7.2
173.15723	1.4
175.11220	13.0
175.14879	3.1
177.09096	1.5
177.12779	5.2
179.08571	4.3
180.09360	2.4
181.10101	6.2
183.11703	7.4
185.09615	1.9
185.13263	5.2
187.11214	3.6
187.14822	2.9
189.09048	1.4
189.12685	1.4
191.08630	1.8
192.09349	2.0
193.10150	5.2
195.11710	8.0
197.13300	5.4
201.09077	1.9
203.10701	7.8
205.10201	4.4
205.12227	34.2
207.11633	3.6
209.13277	2.8
211.14821	1.5
213.09055	1.7
215.10773	1.3
219.11688	2.9
221.13274	4.4
223.14784	3.0
227.10547	2.6
227.18190	1.4
229.12163	3.2
232.12488	1.7
233.13271	3.5
235.14911	4.6
241.12296	2.4
246.14073	1.4
247.14888	2.8
249.16490	3.5
261.16382	3.8
263.17944	1.7
275.18033	2.3
289.19434	1.4
293.15393	1.6
295.17111	2.4
307.16852	1.9
307.24319	1.5
317.22659	14.4
319.24332	2.0
335.20151	2.4
335.23721	10.6
345.22293	2.3
353.24573	1.6
361.02390	2.9
363.23138	14.7
381.24258	44.0
395.15259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07612	7.6
70.08001	10.4
73.26802	3.2
98.21431	5.0
121.61507	3.8
126.04790	3.4
141.78198	3.7
172.93602	3.5
201.01649	4.7
241.80531	3.8
370.98737	3.6
381.07968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
56.96566	14.6
57.03440	1.8
66.02902	1.6
69.03439	5.3
70.06589	3.8
70.08745	5.9
70.54648	1.7
73.02912	3.7
81.03421	2.9
83.04972	3.0
84.08126	1.4
84.96017	1.8
85.02919	10.2
90.80202	1.7
96.08124	5.0
97.02908	5.3
98.97595	33.4
101.00886	3.3
110.97584	5.6
112.99113	4.2
113.00892	1.9
114.09181	8.9
115.00690	5.8
115.02446	5.8
115.09499	1.6
116.07012	1.7
116.98611	10.3
119.01950	7.8
123.04445	2.0
128.98628	6.3
129.02240	1.8
129.03963	2.9
131.00212	3.7
131.01923	6.6
133.01750	3.6
133.03477	23.9
134.99586	1.8
139.03877	1.7
142.08688	2.1
143.00175	2.0
143.01895	5.5
145.03459	5.6
146.99695	2.3
147.03287	5.9
147.04991	4.0
151.04576	2.7
155.01892	7.8
156.02708	2.7
157.03488	7.8
158.99690	6.1
159.03297	5.9
159.04996	7.5
160.09689	4.2
161.02945	6.2
169.03499	1.9
170.99641	2.9
171.03534	2.3
171.05060	5.5
173.01569	1.5
173.02985	10.6
175.04524	4.0
177.00702	4.5
177.04343	14.7
177.06068	5.6
183.03427	2.5
183.05070	5.2
185.02905	3.2
185.06682	2.2
189.00800	2.4
189.04410	2.1
189.06064	3.7
195.05394	6.4
195.07074	3.5
197.02917	3.7
201.00685	1.7
201.04333	6.4
201.06194	4.5
203.03963	4.8
205.03680	2.3
211.04514	2.0
213.06155	1.8
219.01756	12.1
219.05318	4.4
219.07167	20.8
219.08948	2.3
220.06027	2.2
221.05046	15.8
223.04630	2.0
225.06108	1.8
228.09106	1.7
231.07172	21.5
232.07175	1.6
233.08826	3.6
237.02840	18.3
245.05096	22.2
255.04675	1.6
255.07159	8.0
259.06622	2.0
273.08316	9.0
291.09256	2.3
321.10651	100.0
322.10220	5.3
339.09360	18.9
381.10901	7.7
381.19507	4.1
382.16879	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	380.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04526	0.5
63.72196	0.4
65.03945	0.9
65.41704	0.4
69.03425	1.1
69.07043	0.5
70.06597	7.0
70.41506	1.7
75.34819	0.4
76.02238	2.3
78.48767	0.4
79.05491	0.6
84.08133	0.6
85.02911	1.6
88.02203	0.5
91.05491	14.7
97.02896	1.0
98.06059	1.2
101.21174	0.5
106.06563	1.3
107.04967	4.6
107.31551	0.5
109.02866	0.7
116.98670	0.6
118.06503	0.6
119.04960	48.8
134.06030	14.4
136.07593	100.0
137.07126	2.4
137.08044	0.6
140.07060	0.6
156.04796	5.6
173.07465	0.9
180.06586	7.1
199.05421	0.9
201.06944	21.0
218.08235	0.9
234.99194	0.8
237.03114	0.4
247.03073	0.4
321.06348	0.7
360.34039	0.4
380.08438	0.8
380.13126	0.7
380.21045	0.9
399.99304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47605	0.6
55.05517	1.3
56.05032	0.9
67.05502	2.7
69.05798	0.8
69.07066	1.8
69.74810	0.4
71.05000	7.4
71.57204	0.7
74.06089	9.2
79.05497	2.8
81.07071	2.7
82.06590	6.9
83.04978	1.0
84.08149	54.6
91.05482	2.5
93.07058	4.5
93.89331	0.4
95.04962	0.9
95.08611	1.9
102.09187	100.0
103.09474	0.8
105.07022	2.6
106.07372	0.7
107.08607	2.6
109.10154	1.0
117.07014	1.1
119.08587	2.3
120.10221	5.8
121.10147	0.7
123.83540	0.5
129.07007	0.7
131.08556	1.4
133.10147	1.7
135.08035	0.7
135.11693	0.7
137.08459	0.4
142.07811	0.5
143.08615	1.2
145.10121	1.6
147.11725	0.9
149.13275	0.8
150.32692	0.4
155.08582	0.7
156.09285	0.5
157.10181	1.4
159.11726	2.0
161.13341	1.0
169.10167	0.7
171.11644	0.7
181.10161	0.8
197.13167	0.5
208.11926	0.5
227.10634	0.8
303.93591	0.5
334.22400	0.6
362.21613	0.8
362.30453	1.8
363.23364	1.1
380.22614	3.2
380.31601	20.1
381.24298	3.4
381.31842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77539	0.8
71.12003	2.0
87.99632	0.8
135.32265	0.8
193.02632	1.2
201.01617	2.9
219.02608	2.6
234.23557	1.2
261.07416	2.7
315.48004	1.1
381.07944	100.0
382.08365	2.4
382.16937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2269
Annotation	Triptiliocoumarin
Peak:m/z	Relative Intensity
50.50040	1.7
53.03949	4.2
55.05509	7.8
57.07064	3.1
67.05217	2.0
67.05508	21.0
69.03416	2.6
69.07079	14.6
69.71459	2.0
70.08578	6.8
79.05499	18.4
81.07066	23.9
83.04967	1.8
83.08617	2.3
91.05486	31.3
93.07052	100.0
95.04959	8.7
95.08616	16.1
103.05486	1.9
105.03384	2.1
105.04457	1.9
105.07039	24.5
107.08592	41.0
109.06512	2.6
109.10168	23.5
115.05515	2.7
116.38147	1.8
117.07018	9.5
119.08567	19.1
121.06514	2.5
121.10146	18.2
123.11714	5.1
125.09626	17.8
129.07022	6.8
131.08571	9.8
133.06503	2.6
133.10147	9.2
135.08070	7.7
135.11707	14.1
141.06975	3.5
142.07780	3.9
143.08566	10.3
144.09351	2.2
145.06462	3.9
145.10121	8.0
147.08083	4.5
147.11697	28.1
149.09634	3.8
149.13272	30.2
151.07426	1.9
151.11169	1.9
153.07031	2.5
155.08571	5.7
156.09267	2.1
157.10117	8.2
158.07391	1.9
159.08058	8.3
159.11691	10.1
161.09616	4.5
161.13338	3.0
165.07027	2.8
166.07799	3.6
167.08522	4.3
167.10710	2.2
169.10150	7.4
171.08057	7.5
171.11700	3.6
173.09602	10.4
173.13168	2.0
175.11176	4.3
179.08583	2.6
181.10056	10.2
182.07233	2.8
183.08057	6.5
183.11743	6.9
184.08818	2.0
185.09686	9.1
185.13269	2.5
187.11230	4.5
187.14699	3.5
192.09224	2.4
193.10207	4.1
195.08162	4.3
195.11636	2.9
197.09648	10.7
197.13240	1.8
199.11194	11.0
201.09120	3.5
203.10651	1.8
205.10176	2.4
207.11736	6.5
209.09647	8.5
209.13316	2.1
211.11234	7.0
215.10695	7.2
219.11761	4.4
221.13284	4.0
223.11249	5.1
223.14767	2.4
225.08929	2.2
225.12817	3.1
227.10654	9.1
229.12328	2.3
235.11237	3.0
237.09073	2.6
237.12822	3.7
239.10489	2.1
241.12303	7.0
243.10167	37.6
245.11694	20.8
246.25536	2.0
248.15546	2.4
249.12793	2.4
253.12177	5.0
255.10150	8.6
257.11719	3.2
279.13766	2.2
305.15399	4.2
315.21249	3.8
323.16476	2.4
333.21982	11.0
351.23120	4.6
361.21738	20.7
379.18097	4.8
379.22699	66.1
379.30389	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	379.2271
Annotation	2'-Epiisotriptiliocoumarin
Peak:m/z	Relative Intensity
53.03958	3.1
54.86985	1.5
55.05503	5.6
61.62005	1.4
63.81079	1.3
65.03934	1.9
67.05507	14.5
69.03425	2.3
69.07070	7.8
70.81223	2.8
71.04983	1.7
79.05492	12.7
81.07066	18.7
83.04992	2.1
83.08587	1.8
88.05186	1.3
91.05486	21.5
93.07051	26.6
95.04972	4.1
95.08615	29.8
97.06547	3.3
103.05482	2.4
105.07036	22.3
107.04942	2.1
107.08604	20.6
109.06557	3.0
109.10162	5.9
113.09654	4.8
115.05438	2.9
117.07014	24.5
119.04945	2.3
119.08575	15.2
121.06496	5.1
121.10146	11.4
123.11720	3.2
125.09610	2.5
128.06204	4.6
129.07031	9.7
131.08604	13.6
133.06450	3.0
133.10124	12.5
135.04399	1.4
135.08081	8.2
135.11708	38.9
141.07007	4.2
142.07777	4.4
143.08569	11.2
145.06554	3.6
145.10088	10.8
147.08067	4.9
147.11682	12.1
149.05992	2.4
149.09615	2.3
149.13284	3.4
151.07515	2.5
153.06982	2.0
155.08562	9.5
156.09367	5.0
156.65483	1.4
157.06543	1.7
157.10124	10.4
159.08041	4.7
159.11700	18.8
161.05948	2.0
161.09581	3.2
161.13235	3.3
165.07097	3.2
166.07785	4.6
167.08585	4.8
169.10147	8.5
171.08069	5.8
171.11736	8.8
173.09641	10.1
173.13252	2.2
175.11244	3.9
178.07753	2.7
179.08575	3.5
180.09473	1.7
181.10153	10.4
183.11693	5.7
184.08882	3.0
185.09621	4.9
185.13255	2.3
187.07544	1.5
187.11224	3.9
191.08569	3.1
193.10176	7.9
195.08009	2.0
195.11711	4.4
197.09682	2.4
197.13239	2.7
199.11229	15.7
201.09067	1.7
203.10771	1.8
204.09344	1.5
205.10197	2.6
206.10826	1.8
207.11673	4.7
209.09641	2.7
209.13243	2.4
211.11215	1.6
211.14792	1.5
213.12747	2.1
216.09425	2.1
217.12247	1.8
219.11842	3.1
221.13333	9.4
223.11287	3.4
223.14960	1.6
227.10715	5.8
231.11746	3.0
233.13335	2.9
235.11156	2.2
235.14839	1.9
237.12732	2.3
239.10815	2.3
239.14330	3.8
243.10254	3.7
245.11720	31.9
249.12767	8.2
253.12288	1.7
263.14386	2.0
267.13876	4.6
277.15897	1.9
279.14249	1.7
279.17371	2.7
281.15427	3.1
283.13409	3.6
285.14804	11.3
299.16348	13.8
315.20844	1.9
323.16360	3.2
333.22037	8.8
343.20703	3.5
351.19577	16.7
351.23376	2.6
361.21582	15.5
379.22684	100.0
380.23080	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	379.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.05503	8.2
65.03923	3.0
67.05509	17.7
69.07061	9.1
70.69528	4.5
79.05491	18.2
81.07066	24.3
91.05484	44.9
93.07045	30.0
95.04967	4.9
95.08611	36.9
97.06540	2.2
103.05497	3.1
105.07039	47.5
107.04940	4.6
107.08596	25.4
109.06521	2.9
109.10179	2.9
111.04459	3.6
115.05489	6.0
117.07027	49.7
119.07789	3.2
119.08590	38.1
121.06519	7.3
121.10154	14.0
123.11733	4.9
125.05996	2.7
128.06201	5.1
129.06998	10.7
130.07747	2.6
131.08586	24.0
133.06511	6.7
133.10117	20.1
135.04465	5.8
135.08069	35.6
135.11705	42.6
136.11992	2.6
137.05968	2.9
137.09677	2.2
141.07004	7.7
142.07796	8.7
142.68118	1.9
143.08565	15.3
144.09370	3.5
145.06485	7.2
145.10155	28.4
146.07314	3.1
146.53085	2.2
147.08064	11.1
147.11674	17.3
149.06064	2.4
149.13210	4.6
151.07573	4.4
153.06990	3.3
155.08572	10.8
156.09357	4.2
157.06573	2.7
157.10173	16.1
158.07274	3.8
159.08034	5.9
159.11717	54.8
160.08856	7.1
161.09695	13.5
161.13269	15.3
163.07539	3.2
165.06973	4.6
166.07787	3.4
167.08582	5.6
168.09320	3.5
169.10159	8.7
171.08057	5.9
171.11732	11.8
172.08804	3.0
173.09627	30.4
173.13297	11.2
175.07489	2.4
175.11211	37.7
175.14783	9.4
177.12773	2.1
179.08589	2.9
181.06386	2.3
181.10141	7.3
183.11758	6.1
185.09583	12.0
185.13245	3.1
187.11162	11.1
189.12810	5.2
191.10730	4.0
193.10159	5.8
195.11757	4.6
197.09592	4.1
197.13368	3.0
199.11200	11.8
201.08965	2.3
203.10690	2.3
205.10344	2.5
205.12250	32.4
207.11674	4.5
209.09639	5.4
211.11201	5.5
211.14821	3.3
213.12711	4.6
219.11935	2.8
221.13301	7.5
223.11235	4.5
223.14851	2.5
225.12738	4.2
225.16333	2.1
227.10756	4.8
233.13272	4.4
235.14809	3.3
237.12708	3.1
239.14397	3.0
241.12241	4.1
245.11823	8.2
249.12747	6.6
255.10281	2.4
257.11639	3.0
261.16425	2.6
263.14340	5.0
277.15894	3.6
289.86282	2.1
315.21127	3.8
323.16318	2.4
333.18469	2.3
333.22086	30.1
343.20477	4.0
345.22198	2.2
351.19431	4.7
351.23178	7.1
361.21585	19.5
379.22693	100.0
380.23132	3.8
402.89755	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	379.2268
Annotation	2'-Epiisotriptiliocoumarin
Peak:m/z	Relative Intensity
53.03959	3.0
55.05507	4.6
63.50872	1.9
67.05505	16.9
69.03419	4.8
69.07066	6.2
70.59029	5.0
70.59374	1.8
79.05480	14.4
81.07061	16.9
83.04987	2.5
83.08643	1.9
91.05482	27.2
93.07044	22.4
94.12846	1.9
95.04970	3.8
95.08603	29.2
97.06554	2.4
105.07036	24.7
107.08595	16.9
109.10179	3.4
109.54704	3.0
113.09669	2.5
115.05486	2.4
117.07009	25.9
118.75582	2.4
119.04947	2.7
119.08596	21.5
121.06522	3.8
121.10138	8.8
123.11753	3.6
125.05956	2.6
128.06174	2.9
129.06999	7.0
131.08583	11.9
133.06476	4.5
133.10147	9.1
135.04393	5.5
135.08064	30.5
135.11700	38.5
137.06003	3.2
141.06979	4.1
142.07732	4.6
143.08601	10.2
144.09367	3.1
145.06490	4.8
145.10126	12.1
147.08086	5.8
147.11714	11.6
149.06009	3.5
149.09641	3.3
153.06927	2.6
155.08572	7.0
157.06516	2.3
157.10139	7.6
158.07281	5.7
159.08080	5.9
159.11717	29.7
160.08862	6.7
161.05943	2.3
161.09608	7.0
161.13284	12.1
164.64162	2.2
165.07071	2.9
166.07780	3.2
167.08629	2.7
169.10127	2.7
171.08072	5.3
171.11699	6.8
173.09642	23.4
173.13263	3.5
175.11192	24.8
181.10161	6.7
183.11778	3.6
184.08868	3.4
185.09621	11.3
187.11227	11.0
189.12778	3.1
193.10190	4.4
193.56514	2.1
195.11737	2.8
197.09697	4.3
199.11197	18.5
201.09116	2.5
203.10748	2.8
205.12231	30.3
206.10910	3.4
207.11729	3.8
209.09619	5.7
211.11099	4.0
213.12775	2.4
221.13335	7.2
223.11154	2.6
225.12697	4.1
227.10666	7.4
227.14299	3.5
231.11931	2.7
237.12575	3.7
239.14310	3.4
245.11702	35.7
249.12767	7.8
253.40982	2.2
255.10178	2.4
257.11722	4.7
263.14325	3.5
267.13922	3.7
283.13141	2.3
285.14938	19.1
299.16385	14.6
333.22162	26.5
351.19412	7.7
356.74121	2.6
361.21512	10.0
379.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75771	1.9
55.05513	6.5
62.82366	1.8
67.05510	10.4
69.03420	2.5
69.07074	40.0
69.99683	9.1
70.90577	1.7
77.35988	2.0
79.05496	19.3
81.07062	25.0
81.49462	2.3
83.04979	2.7
83.08643	2.6
91.05476	23.6
93.07053	25.5
95.04976	3.0
95.08609	11.4
97.06539	3.5
105.07034	26.4
107.08603	25.7
107.13404	2.2
109.06549	2.3
109.10143	4.5
111.04421	2.5
115.05446	4.0
117.06998	19.3
119.08594	25.3
121.06495	7.4
121.10165	11.5
123.08113	2.3
123.11758	4.6
125.05941	3.7
125.09708	2.7
129.07007	9.3
129.80292	2.1
130.07855	2.8
131.08569	16.2
133.10124	15.2
135.08064	44.5
135.11700	100.0
141.06972	6.0
142.07855	3.4
143.08569	8.8
145.06487	3.6
145.10143	14.4
147.08067	8.1
147.11719	13.7
149.09645	3.2
151.07573	4.9
153.07071	3.8
155.08546	4.2
156.09361	3.4
157.10147	10.6
158.07240	4.1
159.08057	3.6
159.11720	30.4
160.08833	4.9
161.09622	12.1
161.13326	8.1
163.07567	2.6
165.07080	3.3
166.07822	4.9
167.08537	3.1
169.10176	4.6
171.08046	5.6
171.11696	5.7
173.09644	20.0
173.13307	3.4
175.11195	22.4
177.09167	2.1
179.08549	2.5
181.10120	13.1
183.11729	3.7
184.08897	2.7
185.09625	9.9
187.11212	6.2
189.12836	3.6
193.10098	3.2
195.11694	4.5
197.09607	2.9
197.13191	3.6
198.10352	2.9
199.11163	14.7
201.12857	2.4
205.12207	14.2
207.11908	3.0
207.13899	3.6
209.09656	8.4
209.13329	3.3
211.11189	4.2
213.12804	2.2
223.11197	3.4
225.12714	2.8
227.10667	9.5
235.11259	4.2
237.12828	3.9
237.16428	3.7
239.14313	2.9
245.11729	50.7
249.12657	2.7
249.16331	2.7
263.14273	3.0
265.15771	8.0
277.15738	3.0
300.11905	2.1
305.15659	2.9
305.22568	2.4
323.16251	2.9
333.22076	15.1
337.18103	11.9
343.20624	4.0
351.19525	9.9
351.23373	3.1
361.21606	12.0
379.22668	66.6
380.23010	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	379.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41834	2.2
54.20144	2.6
55.01894	2.7
55.05510	5.5
56.83635	2.3
65.03934	2.9
67.05511	18.6
69.07072	14.9
79.05499	30.0
81.07062	47.8
85.93990	2.1
91.05488	34.8
93.07035	21.7
95.04989	4.0
95.08617	17.4
103.05480	3.7
105.07043	43.9
107.04980	2.6
107.08600	19.3
109.06503	4.1
109.10191	2.8
111.04480	5.8
117.07026	37.4
118.96080	3.3
119.08586	36.4
121.06550	3.7
121.10148	5.8
123.11694	3.2
125.06013	9.4
128.06277	2.8
129.07037	6.1
131.08588	19.5
133.10165	11.4
135.04448	6.0
135.08063	100.0
135.11674	17.5
139.07570	4.6
142.07817	3.1
143.08549	7.4
144.09341	3.2
145.06506	6.7
145.10143	20.4
146.07278	2.4
147.08058	2.9
147.11719	11.8
149.05989	5.5
149.09639	3.8
151.07561	11.7
153.06937	2.9
155.08568	6.0
157.10165	7.9
158.07269	6.4
159.08099	8.4
159.11711	38.0
160.08852	13.1
161.09647	23.4
161.13283	22.6
163.07550	6.5
169.10149	3.3
171.11674	5.6
172.08884	6.6
173.09647	42.3
173.13336	4.1
174.10394	6.7
175.11194	60.5
175.14819	7.4
177.09119	3.8
179.08504	2.8
185.09616	19.7
187.11198	8.5
189.12796	5.3
197.09616	3.1
199.11299	6.6
199.14757	2.2
203.10704	6.2
205.12260	55.8
207.11743	2.4
207.13777	5.0
208.08963	3.6
209.09631	4.5
210.10521	2.7
211.11217	6.9
212.11975	2.9
222.10371	3.9
223.11192	6.5
225.12680	4.2
227.10809	4.9
235.11234	5.8
237.12805	7.5
239.14301	4.7
241.19530	3.2
243.36700	2.2
245.11646	3.8
249.12883	4.8
251.14302	4.5
252.15132	3.3
255.10059	2.6
263.14349	5.9
264.22980	2.4
275.11121	2.6
277.15942	8.4
313.05859	2.7
323.16458	3.9
333.22171	31.7
344.40137	2.2
351.23392	3.7
379.22385	36.5
379.27267	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.05504	8.2
62.24570	1.9
67.05508	15.2
69.03441	2.7
69.07073	9.1
70.74912	4.0
79.05493	20.2
81.07066	32.6
91.05489	27.9
93.07058	18.7
95.04955	3.0
95.08622	28.6
102.17233	1.9
105.07046	36.4
107.04912	1.9
107.08595	17.2
109.06515	4.0
109.10170	6.7
111.04455	4.2
113.09648	5.3
115.05486	4.1
117.07018	27.4
118.63303	1.8
119.08591	26.1
121.06535	6.0
121.09391	2.0
121.10138	9.5
123.11716	3.2
125.06010	5.3
128.06226	3.7
129.07039	7.4
130.07730	2.5
131.08565	16.6
133.06509	3.2
133.10141	18.7
135.04433	2.2
135.08069	35.4
135.11700	18.8
141.06993	3.0
142.07771	5.6
143.08582	12.9
144.09355	3.2
145.06490	4.9
145.10144	18.9
146.07291	1.9
147.08064	6.3
147.11700	14.8
149.05974	5.2
149.09641	3.8
151.07510	2.1
153.06978	2.9
155.08571	9.5
156.09322	4.7
157.10164	9.0
158.07301	3.4
159.08084	6.1
159.11710	29.9
160.08807	5.7
161.09669	15.1
161.13280	11.5
163.07643	3.1
163.11208	2.2
165.06981	3.3
166.07838	2.9
167.08586	4.7
169.10139	7.5
171.08115	6.9
171.11797	8.9
173.09654	26.2
173.13281	5.4
175.11200	26.9
175.14845	2.7
177.12805	2.1
178.07883	2.2
179.08586	3.9
180.09395	2.1
181.10103	8.5
183.08107	2.2
183.11731	7.4
184.08884	2.6
185.09676	14.7
185.13353	2.9
187.11230	9.0
189.09172	2.2
189.12773	4.0
191.08636	2.1
192.09297	2.2
193.10173	8.0
195.08095	2.6
195.11766	7.1
197.09653	3.4
197.13300	5.6
199.11183	11.0
201.12979	2.3
205.10316	3.7
205.12239	20.1
206.10956	3.2
207.11707	5.7
207.13802	2.7
209.09676	4.4
211.11160	5.2
211.14900	2.3
213.12822	4.1
215.10645	2.2
219.11737	2.0
221.13312	9.6
222.10500	2.4
223.11229	3.7
223.14792	1.9
225.12732	2.7
227.10750	7.9
227.14365	2.1
231.11821	2.4
233.09836	2.0
233.13255	2.9
235.11295	2.4
237.12776	6.9
239.10710	2.9
239.14359	2.7
241.12367	3.2
245.11691	17.1
247.14784	2.2
249.12762	5.5
249.16498	3.2
251.14301	2.9
253.12361	2.2
257.11707	3.3
261.16425	2.7
263.14072	2.5
267.13855	2.6
269.11771	2.0
277.15869	4.6
279.17639	2.3
287.14276	2.2
295.13339	2.7
295.16940	2.7
299.16425	2.3
305.22659	2.9
315.21051	2.8
323.16519	2.5
333.22168	25.0
337.17813	2.1
343.20584	3.9
351.19534	12.6
351.23370	4.4
361.21628	18.1
379.22729	100.0
380.22910	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	378.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.3
55.05513	6.3
55.68312	0.9
57.03419	1.0
57.07081	4.2
58.40767	1.0
66.84113	1.0
67.05492	1.3
69.07073	1.4
71.03886	2.1
79.05509	1.7
79.65166	1.0
81.07053	2.6
83.04972	4.4
85.02897	1.2
85.06535	3.0
85.73269	0.9
91.05499	2.0
93.07054	5.5
95.08625	8.6
97.06549	2.5
104.94433	1.1
105.07047	2.4
107.08601	9.8
109.06537	1.8
109.10152	1.5
111.04453	53.1
111.08134	1.4
121.06538	1.5
125.06007	14.0
127.07603	1.5
135.08070	8.4
135.11693	13.5
139.07619	1.6
145.10126	9.5
153.12688	2.1
163.11182	13.6
181.12247	100.0
199.13316	39.4
340.82584	1.2
378.22604	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	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54454	0.9
53.03950	0.9
57.03433	1.1
61.02917	1.5
69.03432	2.8
70.56802	3.2
75.49935	0.9
85.02908	8.1
91.05499	10.8
93.07063	10.0
95.04976	1.8
97.02911	3.5
103.05467	7.0
114.58217	1.0
119.04884	1.3
120.05733	2.0
121.06512	13.5
127.03924	2.1
137.06012	1.2
138.06769	1.5
145.04967	1.6
148.05186	1.9
149.05972	5.1
151.03911	1.6
153.05492	1.3
160.45587	1.0
166.06271	8.4
167.06996	1.4
181.08611	100.0
182.08994	1.4
184.07362	1.0
199.09668	69.7
219.19299	1.0
223.09540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38373	5.0
60.83245	4.8
62.97584	4.6
69.03420	13.9
69.64738	13.4
69.65148	12.7
70.06593	12.4
73.02912	6.0
84.08144	5.9
85.02909	19.8
97.02895	15.2
98.20731	6.1
98.97604	6.8
101.00877	7.2
105.53997	4.7
109.02882	5.1
117.44136	4.3
119.01916	20.3
127.03866	8.4
128.33717	3.9
131.01938	6.7
135.19295	5.7
143.01906	7.0
145.03464	16.9
149.02859	4.3
154.94127	6.3
155.01926	9.6
161.02948	12.5
171.05035	6.0
172.95227	10.5
173.03009	8.9
175.04507	7.3
185.02917	6.8
187.04515	11.9
203.04050	10.7
203.85484	5.1
204.23462	4.2
206.04376	10.3
211.04733	5.0
221.05145	6.2
223.04533	5.5
245.05064	8.1
257.01077	6.3
271.06671	14.0
314.70526	4.5
319.75909	4.8
341.04538	5.3
377.00449	7.7
377.04840	100.0
377.16156	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	376.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05504	0.9
57.03441	1.3
59.45401	0.6
61.02922	1.2
66.11916	0.6
67.05534	1.0
69.03418	2.4
69.07069	1.0
71.04986	1.3
71.56228	0.8
79.05476	1.0
81.03414	1.4
81.07058	0.7
82.00878	0.6
82.06583	1.1
85.02934	4.3
86.09713	0.6
91.05487	0.7
94.06570	1.2
95.08598	0.8
96.08150	1.4
97.02896	1.4
97.06528	3.4
107.04906	0.6
107.08573	0.9
108.08142	1.1
109.02879	0.6
109.06499	1.3
110.05968	0.8
110.09678	0.9
113.06157	0.6
119.04942	0.9
122.09666	2.1
123.08060	2.7
124.07604	25.0
126.09142	1.6
127.03909	0.8
133.10126	0.7
134.09633	0.6
136.11230	3.0
137.05971	1.2
138.09157	25.2
139.07524	0.6
140.10658	1.6
140.65515	0.6
150.09148	0.6
150.12807	11.4
151.03952	1.3
152.10722	2.6
160.11215	0.8
161.09595	1.0
166.08618	0.8
176.10616	0.6
178.10846	1.0
178.12302	13.4
179.07150	0.8
179.10744	0.8
196.13396	5.6
214.14403	100.0
215.14748	1.6
226.14392	0.8
238.14334	0.7
315.51178	0.6
376.19724	1.3
392.44852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05507	0.6
57.03428	1.5
58.25257	0.5
61.02934	0.7
69.03433	3.3
69.07052	1.7
70.06579	0.6
70.69131	1.6
70.69505	0.5
71.05018	1.0
73.02912	0.6
79.05489	1.2
80.05019	0.6
81.03417	1.9
81.07069	0.9
81.24453	0.5
82.06570	0.8
85.02913	5.6
91.05425	0.5
93.07066	0.8
94.06585	1.1
95.04963	0.5
95.08601	1.3
96.08118	1.4
97.02921	2.9
97.06541	3.2
97.64085	0.5
107.08615	0.5
109.02885	1.0
109.10142	0.7
120.08092	0.8
120.54182	0.6
122.09665	2.7
123.06785	0.7
123.08076	1.4
124.07598	28.3
125.07923	0.9
126.09162	1.3
127.03926	0.8
133.10168	0.7
136.11205	2.1
137.09622	0.7
138.09145	20.5
140.10696	2.3
142.90926	0.5
145.04955	0.9
149.08228	0.5
150.12781	11.2
152.10719	2.5
161.09680	0.7
178.12280	12.2
178.13715	0.9
179.10687	2.0
190.08536	0.6
196.13332	7.3
212.12755	1.1
212.26634	0.5
213.13081	0.7
214.14392	100.0
215.14775	2.7
243.08734	1.1
286.01022	0.6
376.19507	2.8
377.14609	2.1
391.55612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03426	0.8
64.80624	0.5
65.03927	0.6
66.03149	0.5
67.05504	0.6
68.99785	1.2
69.03434	0.8
70.06602	3.3
71.57851	0.6
73.76586	0.5
79.05482	2.0
81.03440	0.6
81.07051	1.3
82.18713	0.5
83.01321	0.6
85.02888	0.9
91.05489	1.8
93.07031	0.8
95.04958	1.9
95.08600	1.1
99.01822	0.5
103.05459	0.5
105.07034	1.2
107.04943	1.8
107.08583	1.1
109.02930	0.5
115.05462	1.0
117.06997	4.1
121.02819	0.6
121.06529	3.8
123.04441	1.2
124.07572	1.7
134.56883	0.5
135.04413	3.1
135.08047	3.9
136.07581	2.7
138.09106	0.9
138.74982	0.5
139.03905	23.0
145.06477	3.4
147.04390	1.0
147.08092	0.6
149.05997	2.9
151.03902	2.5
153.05475	1.3
161.05975	1.9
163.03923	7.4
163.07550	15.2
165.05495	2.3
167.07034	0.6
168.10175	1.5
173.05995	6.9
174.06213	0.5
175.07555	0.7
177.05490	1.3
177.09062	1.9
178.08659	1.1
179.03412	1.3
179.07033	4.9
181.04942	1.9
185.06003	0.8
189.05458	1.4
190.08638	13.5
191.07034	58.9
192.07356	1.1
196.09689	1.0
203.07030	3.0
205.04906	0.8
206.08188	0.9
208.09694	100.0
209.10028	1.9
214.10703	7.4
220.09686	1.5
224.09152	0.8
284.02017	0.6
341.10181	5.3
358.12869	3.5
359.11325	1.7
376.13864	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	375.238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64527	6.4
69.07060	11.9
71.16422	13.5
81.07056	21.7
85.02917	11.3
86.09703	10.4
91.05487	10.3
93.07026	13.0
95.08626	35.8
97.10204	7.9
99.08088	14.8
107.08595	29.5
109.10170	10.3
119.08630	9.0
121.10132	46.7
123.11753	10.6
124.07616	32.0
131.08539	7.1
135.11665	8.6
138.09094	21.7
140.10625	6.5
150.12805	8.9
167.06955	16.7
168.07405	9.4
177.16397	92.1
178.12311	13.6
187.28571	7.0
195.17578	16.4
196.13364	7.7
200.04613	6.6
213.18593	14.2
214.14360	100.0
234.59636	7.1
375.15710	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	375.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.05500	18.5
59.79495	5.8
64.28015	5.7
67.05505	21.1
69.03403	14.2
69.07064	21.7
71.04968	8.1
71.56544	9.3
77.11431	7.6
79.05495	19.9
81.07077	40.0
83.04987	7.2
83.08612	10.0
85.02917	10.1
85.06546	15.8
91.05477	37.4
93.07059	41.7
95.04964	14.8
95.08627	50.4
97.02841	6.7
97.06532	6.6
97.10159	13.5
99.04442	6.9
99.08117	8.6
103.05495	7.3
105.07036	26.2
107.04945	21.5
107.08631	35.9
109.06544	10.8
109.10151	24.8
111.04449	6.4
119.04960	15.7
119.08581	14.1
121.06503	7.0
121.10168	52.5
123.04429	7.3
123.11677	10.4
125.06021	9.2
125.09621	7.6
129.06969	12.9
131.04916	11.3
131.08600	13.7
133.02859	8.0
133.06506	7.3
133.10109	16.1
135.08006	11.3
135.11705	20.2
137.05988	21.4
137.09642	6.9
137.13232	7.7
139.03947	9.3
145.10130	8.0
147.08125	6.7
147.11775	7.2
149.06029	10.1
151.03934	12.8
151.07454	7.6
159.11734	10.8
161.05995	18.0
161.13275	10.7
163.07550	11.1
165.05479	9.6
167.07095	34.4
167.35541	6.9
175.07555	6.6
177.05449	8.5
177.09125	8.3
177.16389	100.0
181.08662	12.4
181.10298	6.2
185.09604	6.6
189.09116	14.5
193.08659	10.1
195.07982	8.0
195.10167	10.4
195.17455	40.4
201.16484	9.2
207.06537	13.7
208.06931	10.2
213.16664	6.8
231.13708	7.5
297.11478	7.8
300.08594	9.3
308.66299	6.8
325.10709	11.9
357.13254	11.1
375.14661	15.3
388.76392	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	375.2379
Annotation	Manglieside C
Peak:m/z	Relative Intensity
51.10466	1.3
53.03950	3.7
55.01869	6.4
55.05511	18.8
57.03437	8.7
57.07071	4.4
59.05007	3.4
61.02925	8.1
67.05496	11.1
69.03072	2.6
69.03429	30.5
69.07066	42.2
69.89882	6.3
71.04999	7.6
71.08647	1.5
73.02914	4.2
79.05485	4.8
81.03418	11.2
81.07058	26.9
83.04987	8.7
83.08606	8.4
85.02905	83.7
85.06547	23.4
87.04467	5.7
91.03945	5.9
91.05486	3.7
93.07037	15.3
95.08607	38.0
97.02890	26.0
97.06531	6.0
97.10167	10.5
99.04457	5.3
99.08096	21.7
105.07050	1.9
107.08586	24.9
109.02879	9.3
109.10159	17.4
111.08079	4.4
111.11710	7.5
113.09644	8.9
121.10146	32.9
122.03676	1.6
123.04400	1.8
123.11706	10.3
125.09648	8.1
125.13329	1.4
127.03918	14.9
135.11707	18.1
137.05971	4.6
137.12305	1.9
137.13258	20.2
139.11208	7.1
145.04962	16.7
149.13284	6.2
151.14815	4.3
153.12769	10.2
165.09041	1.4
167.07088	2.6
173.27231	1.3
177.16391	100.0
178.16806	1.8
180.91637	1.5
195.17444	39.7
213.18495	43.1
225.18018	1.3
296.28638	1.5
344.12466	1.5
375.14603	1.8
375.23843	4.7
389.95511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26919	3.9
55.01881	5.5
55.05499	6.9
67.05514	6.9
69.03436	8.7
69.07075	9.2
71.57893	5.3
79.05496	11.7
81.07052	10.8
83.08581	3.6
85.02911	12.6
85.06550	5.0
91.05483	59.5
92.05841	20.6
93.07043	11.1
95.04987	7.5
95.08613	17.6
97.02879	4.9
99.04464	4.3
99.08067	8.5
101.75100	3.8
103.05487	12.1
105.07026	8.0
107.04915	9.6
107.08617	20.0
109.10167	7.6
111.08106	5.6
115.05421	6.1
119.04949	57.4
120.05276	30.2
121.06460	5.7
121.10148	34.7
122.03626	6.6
123.04405	6.1
125.09566	6.5
131.04961	9.9
132.97256	4.1
135.08075	5.9
135.11708	8.3
137.05994	76.1
137.13223	4.7
145.12877	4.2
147.04419	38.1
148.04788	24.8
151.07547	18.5
152.07933	5.2
153.62257	3.8
161.05986	4.8
163.07568	20.3
167.07072	32.0
171.53151	3.8
175.03909	43.8
175.07541	6.8
176.04250	47.9
177.09142	5.6
177.16420	52.9
179.06979	6.2
187.78827	3.8
193.08574	6.5
195.17526	13.3
207.06537	85.0
208.06880	100.0
213.14799	4.1
213.18425	20.0
220.40218	3.9
224.07108	41.1
229.88493	4.2
283.09555	4.0
375.15506	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	375.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
65.42263	1.1
67.05491	2.3
69.03425	1.1
69.07069	1.5
69.95599	4.9
70.54474	0.8
71.01341	1.0
77.49549	0.9
79.05492	3.3
81.07049	1.9
83.08623	1.0
85.02887	2.2
91.05490	6.3
92.83955	0.9
93.07046	4.0
95.04975	1.9
95.08603	2.5
98.66718	1.0
100.45523	0.9
103.05478	2.2
105.07034	9.0
107.04951	1.6
107.08578	3.4
109.06541	1.6
109.10152	1.7
111.08105	1.3
115.05437	3.3
117.07024	4.3
119.04954	3.5
119.08598	1.7
121.06562	1.9
123.04433	3.1
123.08066	1.9
131.05009	1.0
133.06512	8.5
133.10204	1.0
135.11737	1.6
137.05954	3.7
143.08499	1.6
149.09578	1.2
151.03937	5.1
151.07553	12.4
153.12721	2.9
161.05991	9.7
162.06779	2.9
167.07060	15.1
171.08015	1.4
175.07544	2.2
177.09132	100.0
178.06252	1.8
178.09460	1.5
179.07077	2.4
193.08626	39.1
195.10181	6.2
197.46944	1.1
203.10672	1.4
213.18498	1.4
219.71158	1.0
221.11719	6.0
275.11221	1.0
279.86072	1.2
287.05545	1.3
357.13467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04475	0.7
55.01873	0.9
55.05492	0.8
58.45768	0.7
61.72109	0.7
63.22612	0.7
67.05494	1.3
70.12133	3.5
76.68301	0.7
78.04720	0.8
79.05494	4.2
79.05907	0.7
81.07056	1.8
85.02885	1.3
91.05487	7.2
92.05805	0.7
93.07053	2.4
95.04986	1.6
95.08599	1.4
103.05474	1.7
105.07031	10.4
107.04952	1.8
107.08583	1.3
107.71926	0.7
109.06546	0.9
109.10124	0.8
110.09284	0.8
115.05453	2.9
117.07048	4.0
119.04959	3.9
119.08589	1.1
121.06506	2.6
123.04408	2.1
123.08055	2.6
130.61475	0.8
131.04929	1.1
132.05634	0.8
133.06514	9.9
135.08028	1.3
135.39999	0.8
137.05959	3.8
139.03891	1.4
145.06497	1.4
147.04376	1.6
149.05940	0.9
149.09596	1.3
151.03947	1.8
151.07559	12.6
151.27129	0.9
153.05470	1.5
160.05139	1.2
161.06021	9.3
162.06790	4.3
162.70714	0.9
163.07558	1.1
167.07054	14.9
175.07581	3.9
177.09114	100.0
178.09483	2.0
193.08618	39.9
195.10172	6.6
201.33537	0.7
203.10794	0.9
209.09525	0.8
221.11697	5.2
245.08083	0.9
253.53207	0.7
339.11646	1.2
375.14499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42216	3.3
51.53422	3.4
55.01871	4.1
55.05518	5.3
67.05499	9.7
69.03421	5.9
69.07065	10.8
71.04990	5.2
71.56066	3.7
71.56505	4.4
75.47787	3.7
79.05493	12.1
81.07050	11.9
81.10869	3.6
83.08619	4.7
85.02901	11.1
91.05481	13.3
93.07043	17.3
95.04966	6.1
95.08614	27.7
97.10180	4.4
99.08099	19.3
102.88608	3.4
103.05442	8.3
105.07023	17.7
107.04948	9.3
107.08611	25.7
109.10195	9.7
111.08047	6.4
117.06985	5.3
119.04939	4.8
121.10163	54.9
122.03661	10.6
123.04458	9.3
124.07668	5.2
125.09677	6.3
131.04932	8.6
133.02861	4.1
133.06517	10.9
135.08003	6.0
135.11668	6.2
137.05983	75.9
149.05934	6.0
151.07536	12.6
161.06001	8.4
163.07591	27.1
165.05482	4.0
167.07085	45.8
175.07600	7.3
177.09137	47.2
177.16406	100.0
179.07005	3.7
191.07138	3.8
193.08534	24.5
195.10155	4.5
195.17416	18.8
207.06522	6.6
213.13107	5.0
213.18484	21.2
221.08234	5.7
253.78148	4.2
280.07651	4.2
357.13736	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	375.1804
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03943	0.6
55.01884	0.5
57.03427	0.4
65.03941	0.5
66.04720	0.4
67.64346	0.3
70.55766	0.9
73.80045	0.4
78.04721	1.3
79.05497	3.6
81.07061	1.0
91.05482	4.1
93.07027	0.5
94.04203	3.6
95.04964	1.2
96.05775	0.4
97.02991	0.3
103.05473	11.2
105.07039	4.4
106.04181	1.2
107.04951	5.9
109.06529	1.0
115.05463	2.2
117.07033	1.0
119.04927	1.3
121.06496	1.5
122.03654	11.9
123.04456	3.4
123.08057	0.7
124.05209	1.9
125.06007	0.5
128.06227	0.8
129.06999	1.1
131.04930	14.3
131.08650	0.4
132.05655	0.6
133.06505	5.9
133.07480	0.7
135.04428	0.5
135.08052	4.7
135.21805	0.3
136.05241	0.4
137.05980	100.0
138.06343	2.2
141.06992	0.6
143.04933	1.2
143.08582	0.5
144.05737	0.6
145.06473	1.2
147.04408	0.9
147.08046	1.1
149.05954	0.9
151.03947	0.8
151.07555	7.5
152.04703	1.3
153.05464	0.4
157.06456	0.8
158.07281	0.5
159.08090	0.9
160.05199	1.0
161.05981	2.0
163.07545	34.8
164.07953	0.5
165.09116	1.1
167.07047	46.3
168.07352	0.7
174.06801	0.6
175.07530	4.5
177.09091	0.8
179.07018	0.7
181.08612	0.5
184.58667	0.4
187.07513	2.1
189.09152	2.1
192.07722	0.4
193.08644	3.9
201.09116	0.8
203.10645	0.9
205.08513	0.4
205.10229	0.5
207.10197	0.8
215.08563	0.4
219.10144	1.5
233.09572	1.3
233.11835	0.9
261.09082	0.9
265.12201	1.0
293.11673	2.4
310.12250	0.5
325.14355	3.6
351.22226	0.3
357.17001	2.3
375.18094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.18415	0.7
55.01871	2.1
55.05524	0.8
56.96564	3.2
57.03449	5.0
61.02933	5.8
63.74594	0.6
65.03938	0.6
67.20014	0.7
68.05030	0.9
69.03432	16.8
70.06599	3.6
71.04993	3.0
71.55360	1.1
72.08157	1.3
73.02915	7.2
74.06093	1.4
81.03415	7.1
82.60785	0.7
83.04975	1.5
84.04504	3.2
84.08151	4.7
85.02912	26.4
86.03246	0.9
86.06082	2.3
86.09706	2.2
87.04462	2.2
91.03973	1.8
91.05479	16.5
92.78078	0.7
93.56519	0.8
95.04980	4.6
95.64659	0.6
97.02894	12.7
98.97579	9.6
99.04450	1.4
99.72131	0.8
105.07030	1.5
107.04951	1.0
109.02865	4.7
110.97579	1.9
112.07631	1.1
113.10665	0.7
114.09134	1.2
115.03942	1.4
116.98647	5.0
119.02039	0.9
119.04955	16.2
121.06512	1.9
123.04469	1.6
123.08133	1.0
127.03961	5.6
128.98561	2.1
129.10258	2.2
130.04976	1.8
130.08641	1.7
131.04903	0.9
134.99663	1.6
136.05196	2.0
137.05992	2.1
139.03899	6.2
145.04959	4.5
146.99687	1.6
149.05913	0.9
151.07558	100.0
152.07930	1.4
158.99596	2.0
161.01308	1.2
161.02927	1.5
163.06056	0.7
164.07069	2.8
167.07100	3.9
173.02960	0.9
176.07053	0.8
177.00725	1.5
177.05461	2.3
194.08226	0.9
194.11726	1.3
195.36841	0.9
212.07484	2.0
212.12830	67.8
213.13097	2.0
219.01833	2.8
223.05447	5.2
232.06013	3.0
237.02870	4.8
242.07332	1.3
254.14079	1.2
265.03683	1.7
265.06140	1.2
268.02597	0.9
283.04861	1.8
284.07346	1.3
295.07526	1.4
307.04831	1.7
310.09238	1.0
325.06076	2.6
338.15967	0.9
356.17148	1.6
367.07205	1.4
374.13458	3.5
374.18127	25.9
375.12881	0.9
375.18338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.99054	0.5
54.00595	0.4
54.15236	0.4
56.34903	0.4
57.03439	1.2
59.04992	1.0
61.02927	1.5
68.05043	1.0
69.03432	3.0
69.07073	0.8
71.05001	0.7
71.56066	0.5
79.05496	1.7
81.03424	1.8
81.05854	0.6
81.07059	1.6
83.04982	0.8
85.02908	5.8
85.06578	0.4
86.09709	1.1
87.04471	2.1
91.05478	0.9
93.07091	0.7
93.73145	0.5
94.06615	0.7
96.08137	3.6
97.02888	2.7
97.06521	0.7
99.04466	0.5
105.07071	0.5
107.08602	0.7
109.02872	1.0
109.06569	1.2
109.10187	1.2
110.10542	0.6
111.06810	0.7
119.04959	0.8
122.09639	0.6
123.04461	0.6
123.06818	0.6
123.08070	1.1
124.07597	100.0
125.07943	1.3
126.09168	4.7
127.03947	1.4
136.07593	0.8
137.06007	2.0
137.09627	1.0
138.09132	14.2
138.12848	0.5
138.88795	0.6
139.18617	0.5
140.10707	0.8
148.11209	0.8
149.09564	0.5
150.09166	0.6
151.07504	0.7
152.10774	0.8
163.06287	0.7
165.05534	0.6
166.08798	0.6
166.12251	2.9
167.07048	3.8
175.07446	0.5
176.10715	3.3
178.08650	2.7
194.08043	1.1
194.11763	4.2
197.27637	0.4
208.90215	0.5
212.12825	83.9
213.13155	1.6
222.11314	1.0
298.07095	0.8
322.31802	0.6
333.65662	0.5
374.15851	0.7
382.02301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
65.03945	2.0
65.35759	0.4
71.08388	0.4
71.08719	0.6
72.02393	0.3
77.03933	0.7
79.05505	0.5
89.03902	0.9
89.17488	0.4
91.05482	34.7
95.04970	1.6
103.05470	0.8
105.03398	0.5
105.87431	0.4
107.04993	0.6
110.11238	0.4
119.04948	39.2
119.08566	0.5
129.03429	0.5
131.04930	0.5
132.02023	2.1
133.02893	0.8
135.04425	0.9
136.05209	1.1
137.05957	0.9
145.02831	1.1
147.04416	31.8
148.04803	0.3
149.02354	0.9
151.07541	7.6
157.03972	3.2
160.01614	0.4
164.04727	1.0
167.07008	0.6
175.03914	52.2
176.04401	0.6
177.09210	0.5
179.07022	2.6
183.06659	0.4
192.04202	1.2
207.06532	100.0
208.06892	1.6
281.22574	0.5
361.00348	0.4
374.15955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1601
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
51.02373	0.3
53.03953	0.3
54.67450	0.2
63.02373	0.3
65.03933	1.6
67.16794	0.2
70.24422	0.9
77.03945	0.7
80.06241	0.3
89.03941	0.7
91.05486	35.6
92.05827	0.5
95.04993	1.8
101.03990	0.3
103.05463	0.6
105.03386	0.7
107.04973	0.3
107.24587	0.2
108.05681	0.3
117.03389	0.3
118.04138	0.5
119.04951	41.5
120.05312	0.5
129.03368	0.8
131.04877	0.3
132.02090	1.4
133.02829	0.4
135.04382	0.4
136.05220	1.7
137.05977	0.5
137.12402	0.2
145.02888	0.9
146.03607	0.3
147.04417	29.3
148.04730	0.4
148.92293	0.2
148.94072	0.2
149.02373	1.1
151.07561	8.5
157.03960	3.4
160.01453	0.3
162.03218	0.4
164.04720	0.9
175.03915	48.9
176.04283	1.1
179.07050	2.0
192.04178	0.5
195.49425	0.2
207.06538	100.0
208.06859	1.3
374.16058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1597
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
51.02380	0.5
65.03931	1.5
70.04958	1.1
70.05353	0.7
77.03895	0.5
89.03883	0.5
91.05487	34.9
91.74702	0.4
95.04946	1.4
98.21581	0.5
99.79448	0.4
105.03348	0.6
118.04228	0.6
119.04949	40.6
120.05266	0.6
121.46281	0.4
129.03302	0.7
132.02055	1.5
135.04347	0.6
136.05209	1.1
137.06000	0.9
145.02806	0.5
147.04416	27.6
149.02336	1.2
151.07553	7.4
157.03976	3.2
164.04724	1.0
175.03915	47.8
179.07027	2.0
192.04172	1.0
207.06537	100.0
208.06819	1.4
214.03806	0.5
350.89075	0.5
374.15912	1.3
374.23209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
65.03935	1.3
67.05503	3.6
69.03413	1.4
70.06590	1.8
71.35268	2.5
79.05492	4.0
80.53960	1.5
81.07050	3.0
82.06577	1.3
84.04489	2.1
84.08159	2.5
84.20788	1.2
85.02911	3.0
86.09711	13.9
91.05486	17.6
93.07048	3.8
95.04983	3.6
95.08613	3.8
103.05447	2.8
105.03401	1.4
105.06999	1.4
107.04978	3.9
107.08591	2.8
109.02890	1.5
109.06552	3.0
119.04945	13.5
119.08564	2.3
121.06510	8.4
123.04433	48.2
124.07627	9.3
127.03858	1.5
131.08607	2.9
132.10205	2.1
133.06456	1.2
133.10121	1.6
134.06021	4.9
135.04431	2.8
136.07552	1.8
137.06010	4.6
138.09123	1.7
147.04419	7.5
148.07596	2.1
149.05995	8.8
149.09613	4.1
150.09157	61.6
151.03920	12.7
151.07555	18.8
152.10686	4.0
158.09689	1.9
161.05995	2.1
163.03944	9.7
163.06285	1.4
163.07570	3.2
165.05511	4.1
166.06302	9.1
166.08644	18.3
167.07053	50.2
175.03899	3.4
175.07555	18.2
176.07104	2.8
176.10765	4.8
177.05489	5.5
177.09114	15.3
178.08644	5.3
179.07050	3.9
181.08612	15.2
186.09193	1.7
187.07552	4.6
189.09113	1.8
191.07010	2.7
193.08624	2.8
194.08125	34.4
194.11830	10.7
199.07532	3.6
202.08675	4.4
204.10211	24.4
205.08603	6.8
207.06522	9.0
208.09705	3.4
209.08087	10.8
212.12833	11.9
213.09158	1.7
215.13893	2.8
217.08633	4.1
218.08127	2.5
221.68977	1.5
222.11266	100.0
234.11166	7.8
243.13431	3.7
285.07632	5.4
321.11258	2.7
339.12393	5.3
356.14935	19.8
357.13510	3.9
359.65182	1.5
374.15994	51.4
374.23178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.03951	4.7
55.01857	5.0
55.05516	35.6
57.03434	15.8
57.07067	10.0
61.02919	8.8
64.63204	4.0
65.67934	4.1
67.05506	24.1
69.03433	19.6
69.07083	7.9
70.06597	5.4
71.04990	8.6
71.16181	10.1
79.05497	14.9
81.03433	10.4
81.07060	84.4
81.51839	4.7
83.04977	12.3
83.08627	17.4
85.02915	62.3
85.06550	64.5
86.09746	4.5
87.04485	5.3
91.05470	13.8
93.07048	21.2
95.04954	7.1
95.08617	24.8
97.02878	24.7
97.06547	5.9
99.04458	6.1
99.08107	57.6
100.07639	19.4
100.11274	43.3
101.05996	7.6
105.07024	9.0
107.04970	8.7
107.08601	15.3
109.02883	8.5
109.06557	8.6
109.10166	52.3
111.04453	22.2
112.07637	7.7
113.09647	12.8
115.05455	5.2
119.04903	6.9
119.08585	17.8
121.10143	17.2
123.04501	4.9
123.11702	16.7
124.07616	10.6
126.09131	5.9
127.03909	16.2
127.07568	9.4
128.07076	12.6
131.05023	4.7
133.10152	25.9
135.11697	18.3
137.06024	4.3
137.09651	18.7
140.07062	10.6
145.04973	11.8
147.11696	6.6
149.06055	4.9
151.11176	5.7
153.05440	6.6
159.11774	5.1
161.10649	4.7
162.79095	4.3
163.07584	8.1
163.14798	8.6
165.05490	10.5
165.16434	9.7
167.07076	11.5
175.14867	19.9
175.77071	4.9
177.05479	6.2
179.07077	8.0
182.15405	68.3
193.15874	55.8
194.11827	6.5
195.17424	11.9
207.06497	7.9
210.14914	100.0
211.14720	8.9
211.16946	63.7
212.12839	11.5
227.17447	6.8
228.15988	28.5
235.16817	4.9
244.47385	4.2
245.18703	7.4
337.21252	48.6
355.22308	32.4
356.12216	10.6
373.14127	10.3
373.22769	15.0
390.48581	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	373.2219
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.66999	2.4
55.05512	15.2
57.03437	3.0
59.04995	5.6
60.24325	2.6
67.05509	26.7
69.03437	17.2
69.07081	12.4
69.89004	5.7
69.89400	8.5
71.04969	4.9
79.05499	5.3
81.03428	6.9
81.07067	18.8
82.01513	2.4
83.04988	71.8
83.08578	4.6
84.57755	2.5
85.02506	3.1
85.02915	35.1
86.09706	4.4
91.05473	5.7
93.07037	10.4
95.04981	10.9
95.08604	17.4
97.02903	5.0
98.20835	3.8
99.04466	5.8
105.07022	5.3
107.05025	2.5
107.08595	12.5
109.02829	2.6
109.06512	11.1
109.10175	41.9
109.25454	2.6
111.08047	3.6
119.08596	7.3
121.10160	4.2
124.07622	16.3
127.03913	10.0
133.10172	3.7
135.11710	12.7
137.09628	100.0
145.04971	5.8
151.11110	3.8
155.10683	14.9
175.14870	8.6
193.15898	56.2
209.59358	2.3
211.16913	4.1
212.12808	18.6
236.31212	2.9
259.81851	3.4
289.86307	2.6
300.27881	2.9
373.17935	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	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05520	2.5
57.03428	1.2
61.02919	1.6
67.05495	2.0
69.03436	1.4
69.07063	4.4
69.38849	2.4
69.39265	6.1
71.04993	1.9
79.05503	3.0
81.03412	2.3
81.07059	11.2
83.08649	2.1
85.02908	12.5
91.03963	1.0
91.05469	6.4
93.07023	7.0
95.08612	16.4
97.02906	3.0
99.08103	3.7
105.07042	12.8
107.08595	8.7
109.10151	3.0
113.09654	2.0
119.08589	51.2
121.10138	2.5
123.11707	2.6
129.42662	1.1
133.10136	62.3
135.11681	13.3
145.10127	1.3
147.11682	3.7
175.14832	100.0
176.15259	2.1
193.15871	8.9
195.31015	1.0
202.17738	1.1
207.06609	1.7
211.14999	1.0
211.16899	5.2
249.00368	1.1
385.31967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.14227	10.1
67.05496	18.0
69.07068	20.5
70.03582	53.1
81.07042	19.6
83.08610	14.1
85.02918	15.7
95.08610	38.1
107.08578	13.2
109.10167	100.0
119.08578	39.6
121.10155	11.4
123.08089	14.8
133.10162	22.8
135.11720	96.8
137.09648	21.3
151.14828	11.0
152.80724	12.5
175.14864	44.5
193.15887	56.3
211.16908	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	373.1649
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
53.03946	0.8
55.01867	0.9
55.60652	0.4
57.03429	1.1
65.03946	0.4
66.04712	0.9
67.05505	0.8
69.03424	0.5
70.34222	1.3
70.34599	0.6
71.75741	0.4
77.03932	0.7
79.05499	6.4
81.07035	1.1
90.04680	0.9
91.05489	11.1
93.07018	1.0
95.04959	1.7
95.08591	1.5
103.05477	7.6
104.06265	0.9
105.04626	0.4
105.07037	15.8
107.04971	2.4
107.08567	1.3
108.05766	0.8
109.02878	2.1
109.06537	2.7
109.10136	0.6
111.22024	0.4
115.05439	1.2
116.06302	0.4
117.07021	0.6
118.04173	16.4
118.05025	0.8
119.04965	7.4
119.08567	1.2
120.05701	1.3
121.06513	2.9
121.10143	0.7
122.07285	1.5
123.08092	0.8
124.05221	8.1
125.06020	0.5
130.98012	0.3
131.04932	1.9
131.08582	0.5
132.05701	0.7
133.02792	0.4
133.06502	23.4
133.10158	0.8
134.07314	2.1
134.51151	0.3
135.04408	2.4
135.07094	0.5
135.08051	3.7
135.11696	0.4
136.05214	1.0
137.05974	3.7
145.10114	0.7
147.04428	8.3
147.11656	0.4
148.05190	0.4
149.05992	2.0
150.06776	8.9
151.03928	8.1
151.07559	25.1
154.06262	0.8
159.11714	0.8
161.06046	3.8
163.07541	2.1
165.09128	13.3
167.07059	0.5
175.07536	0.9
178.06259	0.7
179.07065	4.4
180.07794	2.7
181.10345	0.4
193.08623	100.0
194.09344	4.3
195.10153	1.1
204.38127	0.4
219.10255	0.6
221.11679	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03941	2.5
55.01876	4.1
55.05526	2.7
57.03439	2.7
59.42385	1.2
65.03938	4.6
67.05498	5.6
69.03429	2.0
69.07074	1.8
69.80359	5.7
71.08607	1.2
73.31219	1.2
73.37406	1.2
77.03889	1.1
78.04729	1.9
79.05495	14.3
81.03393	1.5
81.07045	5.9
83.04976	1.7
83.08638	1.5
91.05487	47.3
93.07047	10.4
93.49787	1.3
95.04995	5.9
95.08620	5.9
103.05479	31.2
105.07042	35.6
107.04972	18.4
107.08594	6.8
108.05761	3.1
109.06514	4.5
109.10171	3.1
113.13217	1.3
115.05477	7.2
116.06217	4.7
117.07045	4.4
118.04173	2.8
119.04949	44.5
119.08627	6.4
120.05782	2.9
121.06511	16.5
121.10130	2.4
123.04449	4.1
123.08115	6.7
123.11737	1.5
124.05209	2.0
125.05965	1.8
129.06995	3.7
130.04086	1.4
131.04964	13.6
131.08621	6.3
132.05766	1.9
133.02873	5.2
133.06514	20.5
133.10156	3.0
134.07278	2.2
135.04469	1.9
135.08063	13.5
135.11671	2.8
136.05229	1.5
137.06001	7.9
141.06985	1.6
143.04919	2.3
143.08611	2.4
145.06503	3.3
145.10201	1.7
147.04424	20.4
147.11696	2.1
148.05193	2.6
149.05997	5.3
149.09637	1.8
150.06783	3.6
151.03938	2.9
151.07541	21.5
153.05490	5.0
157.10114	2.2
159.08113	6.2
159.11731	7.2
161.06024	6.5
161.09639	1.7
163.03957	8.0
163.07567	17.0
165.05510	14.5
165.09190	7.0
167.07056	55.5
169.10176	1.7
173.09666	1.9
175.07477	2.0
175.11162	1.5
176.04541	1.4
177.05499	12.6
177.09105	3.4
177.12737	1.4
178.06259	8.3
179.07053	58.9
180.07478	1.7
181.05038	7.4
181.08630	4.9
183.11719	2.3
187.07542	6.6
187.11237	2.2
191.07050	3.2
191.10599	1.5
193.08624	65.8
194.09406	100.0
195.10085	7.5
195.11774	1.8
195.21883	1.6
201.09135	3.0
203.06810	1.2
204.07913	1.5
205.08623	59.0
209.08098	3.2
210.08904	2.7
219.10188	20.8
245.74585	1.3
305.03812	1.5
373.27560	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	372.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71495	1.8
57.03443	28.8
61.02928	11.3
66.37366	1.9
69.03438	29.2
71.01340	2.1
71.04967	1.8
71.34299	2.9
73.02921	58.9
73.04745	2.5
81.03403	6.1
85.02911	100.0
87.04462	4.2
91.03950	4.7
96.98182	1.9
97.02902	41.8
97.71634	2.1
99.04458	2.9
109.02874	8.1
115.03937	30.0
127.03931	30.7
132.06577	2.1
133.04964	8.3
145.04971	50.7
150.07619	3.4
163.06021	31.2
163.07353	2.1
190.49661	1.9
192.06573	5.5
210.07552	2.8
210.11290	1.8
221.34351	2.1
222.60884	1.7
223.11812	6.8
241.07091	3.2
259.08203	2.5
261.19794	2.0
281.88016	2.0
283.09927	5.9
372.14938	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05518	1.1
67.05499	2.6
69.03417	1.2
69.07063	2.0
69.86285	4.8
78.04710	2.8
79.05466	6.3
81.07059	3.3
81.45876	1.0
91.05466	8.7
93.07040	3.9
95.04964	2.7
95.08604	2.7
98.20763	1.3
103.05458	2.7
105.07024	3.4
106.04170	1.8
107.04950	9.2
107.08559	2.4
109.06528	1.6
109.10167	1.8
115.05457	3.1
117.07017	5.2
119.04917	2.9
119.08607	4.5
121.06512	8.6
121.10176	1.1
123.04430	7.0
123.08082	1.1
124.05198	2.2
125.06015	1.4
128.06198	1.5
129.07002	5.7
131.04939	3.2
131.08578	5.1
133.06496	2.2
133.10147	2.6
135.08055	1.4
135.11658	1.2
137.06004	6.5
144.05688	1.3
145.06496	1.4
145.10158	1.5
147.04391	1.2
149.06006	1.2
149.09601	3.1
149.13370	1.5
151.03908	4.4
151.07515	2.7
152.04718	1.3
153.05516	1.6
157.06496	3.0
159.08015	1.4
159.11665	1.6
161.05978	3.1
161.09645	3.9
163.03932	1.3
163.07550	3.2
167.07039	100.0
168.07356	1.6
173.06047	1.4
174.06752	3.2
175.04051	1.5
177.05527	2.9
177.09102	13.6
181.04958	2.4
187.07574	2.2
189.09126	10.5
191.07033	3.0
191.10661	1.1
201.09146	4.3
207.06493	2.2
217.08688	1.4
219.10117	1.9
249.11320	1.4
283.13382	1.4
291.09955	1.6
311.12869	1.7
313.10754	1.2
314.11536	1.1
323.12784	2.0
328.13043	4.4
337.25272	1.2
343.15485	6.6
355.15329	4.2
373.12570	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44387	0.7
54.67572	0.8
69.03425	1.0
70.48699	0.8
71.07336	1.7
73.04758	2.0
81.03419	1.1
85.02909	3.0
89.16457	0.7
91.05830	6.6
92.05727	1.9
97.02843	1.5
109.02875	0.9
131.04839	0.8
131.07069	1.2
132.04463	3.4
137.06000	4.1
149.04732	3.3
160.03958	3.7
164.07143	0.9
167.07097	1.8
174.05530	10.1
174.06918	1.3
177.04236	16.2
192.06573	100.0
193.06898	2.0
200.07224	0.9
210.07629	27.3
210.11185	2.1
228.06721	1.2
242.08267	0.9
266.08160	2.3
269.98080	1.6
270.07599	3.7
282.07449	1.1
285.01123	1.0
286.00955	2.4
298.07132	4.1
312.08636	1.6
313.09445	1.9
328.11853	2.1
356.07043	2.3
372.10651	11.9
373.18521	1.0
378.58224	0.8
398.45920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01868	1.8
55.27837	0.8
56.96550	1.9
57.03446	4.5
61.02924	4.1
69.03439	16.6
70.06590	1.1
71.04986	2.2
71.54340	1.4
73.02915	4.8
78.96718	0.9
81.03424	5.9
84.08160	2.1
85.02914	29.3
86.09693	1.3
87.04471	3.7
91.03960	2.5
91.05490	2.0
97.02899	12.7
98.97585	3.8
99.04443	1.9
100.94366	0.9
103.05486	1.1
105.07039	2.4
109.02887	3.2
112.99169	2.9
116.98583	1.4
120.33446	0.8
123.04456	13.4
127.03928	6.1
129.07031	5.0
131.00180	3.4
133.06512	1.0
134.06006	1.2
135.04446	1.1
137.06024	4.9
145.04979	3.1
145.06519	2.1
147.04465	1.0
147.08031	3.2
149.01244	2.0
149.06058	2.0
150.05508	2.3
151.07561	3.5
157.06509	4.3
158.99704	1.3
160.05217	2.4
160.07646	1.0
161.01259	1.1
162.05547	1.6
163.07542	2.1
164.07094	40.0
165.07841	1.2
165.09055	4.8
167.07072	2.1
169.04559	1.5
171.05084	1.1
175.07585	21.6
177.05495	1.5
177.07870	2.8
178.04982	2.5
178.08656	3.3
181.37071	1.0
190.08719	1.6
192.06564	1.1
192.10217	27.6
193.08662	14.5
195.12634	0.9
210.07724	30.7
210.11261	100.0
211.11690	1.9
219.01794	2.0
221.05194	0.9
234.11458	1.0
237.02847	2.9
240.14545	1.2
282.08682	3.4
282.58929	1.3
286.01096	1.1
291.09412	1.0
326.07214	1.2
326.12427	1.1
337.08298	2.2
354.15613	3.5
355.09323	1.9
372.07565	1.9
372.12704	3.7
372.16611	54.4
373.16818	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1082
Annotation	Nedocromil
Peak:m/z	Relative Intensity
56.05022	3.1
67.61691	1.9
70.43758	1.9
84.30993	1.9
85.02903	4.1
87.06134	2.0
91.05473	3.7
97.02874	2.5
105.07021	2.3
119.08556	2.2
120.19777	2.3
120.93533	2.0
122.06076	3.3
124.07607	2.6
136.28748	2.0
137.05968	3.2
144.42348	2.5
147.04433	4.6
163.07617	2.4
167.07259	3.1
176.07080	3.6
177.05524	6.1
182.09552	2.3
190.08578	7.1
192.56595	4.3
194.05972	3.5
194.09381	3.1
195.01186	2.7
210.11180	3.7
212.07043	4.2
214.08578	2.5
220.07455	2.4
220.09795	2.6
222.05441	14.7
223.06349	6.6
226.05069	3.8
226.08612	3.7
228.06586	3.6
236.07008	4.7
238.05011	7.3
239.05853	2.8
240.06635	18.9
242.08182	6.5
243.58722	2.8
248.07176	3.3
250.05017	7.7
251.05789	26.5
252.06546	5.7
254.04558	2.5
254.08150	7.2
263.09515	5.2
264.06589	2.2
265.07416	2.8
266.04807	4.0
266.08096	28.4
267.05313	15.6
268.06052	41.9
270.07614	10.0
273.59991	13.0
274.10086	2.7
278.04410	3.8
279.05304	51.0
280.06070	16.7
281.07037	2.2
282.04538	3.5
282.07642	21.1
282.60800	3.4
287.02960	2.1
291.11823	4.0
292.06036	3.0
293.06958	2.8
294.04398	1.7
294.07617	37.1
295.04773	10.6
295.08286	10.2
296.05569	80.2
296.08759	4.0
297.05997	4.8
298.06937	10.8
308.05472	4.4
310.07101	42.2
310.10770	11.5
311.07867	35.9
312.08551	3.6
313.09503	22.4
322.03369	2.9
322.07147	57.1
323.07715	5.9
324.05045	5.8
326.10266	100.0
327.10547	2.5
328.11880	45.9
339.07443	5.8
354.05566	4.1
354.09760	57.6
372.10754	44.9
372.14542	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	371.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
53.86553	5.5
55.05500	19.5
57.03435	5.3
57.07065	6.2
67.05509	46.9
69.07074	37.9
70.44843	4.9
71.08617	5.0
71.58188	5.3
71.58602	4.5
73.04736	8.0
79.05499	41.4
81.07057	100.0
83.04991	7.0
83.08619	8.5
89.06004	11.4
91.05399	43.5
93.07058	76.9
95.04959	9.6
95.08601	54.4
97.06525	8.4
97.10159	9.2
105.07034	59.6
106.08674	10.5
107.04942	9.2
107.08586	50.4
109.06479	9.8
109.10139	36.9
111.04411	9.5
111.08043	7.2
115.05455	5.2
116.71806	5.0
117.07020	22.2
119.05867	5.2
119.08583	56.0
121.06492	8.9
121.10155	39.3
123.08089	7.5
123.11692	16.6
125.06013	59.3
128.06284	6.4
129.97845	5.0
130.07808	5.5
131.08589	28.9
133.08594	7.6
133.10143	34.0
135.08044	6.8
135.11691	26.3
137.05954	9.3
137.13229	16.6
139.07545	8.4
142.07782	6.8
143.08527	21.5
145.10133	72.3
147.11688	47.8
149.13235	21.1
151.07500	6.9
151.11220	6.6
155.08495	9.6
157.10077	27.0
159.11748	25.7
161.13214	46.6
163.11206	25.1
163.14786	21.8
165.12752	19.3
169.10086	14.5
171.11691	14.4
173.13281	22.4
175.14867	12.4
177.12686	6.8
183.11658	11.9
185.13200	9.5
187.14847	13.9
189.12794	5.5
189.16498	5.5
195.11742	9.4
197.13342	6.8
199.14781	12.3
201.16307	7.0
205.12198	13.4
207.13937	24.9
211.14803	8.5
213.16281	9.9
219.01300	5.7
222.85204	5.1
225.16479	6.2
229.15904	6.2
241.19466	6.9
250.12097	5.1
251.17978	6.4
253.19458	6.7
255.20882	8.5
268.97821	8.3
281.22522	7.0
285.00925	11.7
297.25803	10.1
299.27448	9.5
307.24094	17.2
309.25681	11.7
325.25317	73.3
327.26630	7.7
343.26288	22.0
353.24634	26.6
353.28616	12.2
355.07065	7.0
371.25668	64.7
371.29553	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2585
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
53.03939	4.5
55.01868	5.4
55.05521	23.7
57.07085	9.3
67.05515	40.2
69.03440	4.2
69.07070	40.8
71.04955	5.1
71.56153	6.5
79.05499	49.1
81.07069	100.0
83.04990	4.8
83.08627	14.0
91.05468	39.2
93.07061	56.1
95.04997	10.8
95.08612	58.2
97.06509	8.1
97.10184	10.5
105.07035	55.8
107.04923	8.3
107.08611	56.3
109.06520	12.4
109.10141	30.1
111.04473	9.4
111.08133	5.7
117.07029	18.8
119.08592	57.8
121.06527	8.1
121.10161	41.9
123.08104	12.1
123.11710	20.3
125.06013	71.7
129.07034	20.8
130.07784	4.8
131.08585	28.0
133.10117	29.2
135.08047	7.9
135.11729	26.4
137.05991	8.8
137.09636	6.4
137.13277	15.3
137.31569	5.3
139.07567	10.2
142.92192	4.7
143.08566	22.3
145.10143	79.5
147.06549	6.5
147.08072	7.1
147.11702	46.9
149.05917	4.8
149.09688	7.2
149.13234	31.5
151.07533	7.3
151.11247	5.9
155.08553	10.4
157.10172	19.9
159.08026	5.4
159.11688	30.9
159.83340	4.3
161.09621	27.7
161.13298	43.5
163.11201	30.6
163.14821	22.4
165.12776	18.9
168.70441	4.5
169.10129	10.3
171.11688	16.7
172.74211	4.1
173.13274	12.9
175.07529	5.1
175.11179	5.6
175.14824	11.7
181.10204	6.5
183.11642	10.3
185.13258	10.2
187.11253	8.5
187.14845	16.3
189.08994	4.6
189.12811	6.5
189.16408	4.8
195.11819	6.9
197.13290	9.5
199.14850	12.5
201.16408	7.7
202.80316	4.1
203.18013	10.5
205.12248	16.9
207.13853	18.2
211.14906	13.7
213.16402	9.5
215.14333	5.4
223.14847	4.6
225.16261	6.3
227.17780	5.4
237.16422	8.5
241.19551	6.8
243.17534	7.4
255.17480	6.1
265.19675	6.3
267.21204	6.2
269.22647	4.8
297.22412	6.9
297.25851	11.2
307.24161	30.2
309.25742	18.0
325.25296	78.0
343.26410	8.2
353.24838	32.9
353.28522	6.0
371.25809	85.8
371.29761	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	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.84684	2.7
53.03941	5.8
55.01860	3.9
55.05516	23.3
55.90297	2.6
57.03429	4.7
57.07070	8.9
58.29812	2.2
59.05017	3.7
61.02922	5.3
67.05508	14.1
67.32528	2.2
69.03434	39.8
69.07078	23.0
69.56224	17.0
70.06577	3.7
71.04984	7.3
73.02912	5.2
73.04768	12.7
74.10957	2.2
74.15824	2.4
79.05494	21.6
81.03413	15.9
81.07065	55.2
83.04981	27.1
83.08624	37.0
85.02911	45.5
85.06560	8.2
91.05843	35.7
93.07063	23.9
95.04971	9.6
95.08630	14.1
97.02904	20.8
97.06520	10.7
97.10149	3.3
99.04462	9.2
100.81797	2.5
101.06042	2.4
105.07063	10.5
107.04970	10.8
107.08605	33.1
109.02892	27.4
109.06522	36.1
109.10169	30.2
111.04454	6.4
111.08090	12.8
115.03889	2.5
119.08580	13.1
121.06538	3.5
121.10152	35.8
123.04401	4.7
123.08093	4.7
123.11723	14.3
125.05963	2.6
125.09675	5.3
125.13278	5.7
127.03922	32.9
129.05473	3.9
131.08591	5.1
133.10123	12.3
135.04427	2.9
135.08067	6.2
135.11678	6.1
137.06024	5.2
138.05525	6.5
139.03949	4.8
139.05833	5.4
139.07513	3.5
139.11143	3.1
145.04959	8.9
145.10188	3.6
147.06548	4.0
147.08055	2.9
147.11732	6.3
149.02361	4.7
149.13269	33.6
151.11211	11.5
153.09093	8.1
157.09961	2.8
161.09673	3.2
163.11136	2.8
163.14836	9.7
165.10301	4.5
166.02609	2.8
166.05081	5.8
167.05357	6.9
167.06912	2.8
167.14326	46.7
169.12257	4.0
171.10196	4.9
173.13275	9.6
182.23271	3.5
187.06026	5.6
191.14301	25.5
194.02133	38.2
205.07127	9.9
207.43082	2.9
209.04466	100.0
209.15376	38.9
210.07657	10.2
227.16437	3.8
231.43054	2.7
266.99939	4.6
268.97791	9.7
285.00937	22.6
303.20096	2.6
335.18314	3.1
353.19547	3.2
355.06995	14.4
371.09512	5.2
371.16394	13.0
371.20639	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
57.03435	2.2
61.02921	3.4
69.03426	12.4
69.07066	1.5
70.48068	1.6
70.48402	4.0
71.04990	1.8
79.05499	2.6
81.03429	7.3
81.07056	4.1
83.04963	1.9
85.02422	2.6
85.02905	27.4
95.04951	3.4
95.08614	4.4
97.02883	6.2
98.20726	2.0
105.07059	3.4
107.08607	7.1
109.02872	2.3
109.06496	7.8
109.10165	3.4
119.08569	2.0
121.10181	8.7
122.07265	1.6
123.08076	3.6
123.11668	2.4
127.03928	6.5
131.08537	2.2
133.10158	3.1
135.08044	2.7
137.06087	1.4
137.09619	8.8
145.04944	4.6
147.11668	2.3
149.09624	21.5
149.13232	4.2
151.11171	14.9
163.14908	1.6
165.12759	44.5
173.13283	3.4
191.14275	12.7
202.55777	1.6
209.15366	100.0
210.15790	2.8
215.08177	1.9
281.59644	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97649	9.2
55.05515	14.7
65.96646	11.0
69.03416	22.0
69.07057	16.4
70.25564	41.8
71.05019	11.3
71.52917	11.1
79.05479	14.9
80.81979	9.3
81.07028	23.6
83.04984	15.7
85.02888	29.2
91.05453	17.7
93.07050	53.3
95.04945	31.5
95.08588	37.2
98.21410	13.1
105.07011	18.4
107.04945	13.9
107.08591	45.8
109.02884	16.8
109.10122	16.3
111.08019	10.9
119.04951	16.0
121.10146	38.0
123.04426	29.6
125.09677	13.6
133.10155	51.5
137.09612	18.7
147.04385	26.0
147.11707	15.0
149.09624	27.2
149.13200	21.1
151.03969	22.0
151.11177	73.9
153.09065	18.5
163.14790	22.3
167.07021	18.8
173.13298	20.3
191.14320	100.0
209.15300	65.2
219.10120	15.0
233.09758	11.8
239.93674	10.7
241.08270	11.9
252.07596	13.5
264.07742	17.9
265.08765	17.4
269.41656	11.6
279.10059	11.8
285.01196	15.5
292.02383	15.2
296.10242	13.9
311.13013	15.1
337.79453	11.2
339.12274	69.1
371.14819	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78990	1.2
53.03939	4.9
55.01876	11.2
55.05263	2.0
55.05513	28.3
57.03438	8.7
59.05008	2.6
61.02926	9.4
67.05499	5.7
69.03432	45.3
69.07072	4.9
71.01354	1.5
71.04982	5.1
73.02920	6.4
76.73862	1.4
78.10658	1.4
79.05488	8.3
81.03423	16.0
81.07069	11.2
83.04482	2.6
83.04983	51.6
83.08619	32.1
83.09109	2.0
85.02908	57.2
85.06553	3.3
87.04484	6.9
90.34991	1.5
91.03951	4.6
91.05477	4.5
91.79639	1.4
93.07046	10.8
93.48270	1.6
95.04988	10.9
95.08606	10.6
97.02900	29.5
97.06545	11.3
97.10163	5.2
99.04459	7.9
100.11249	1.7
101.02431	1.9
103.03945	7.4
105.07029	6.1
107.04949	2.2
107.08603	20.8
107.70008	1.3
109.02890	10.6
109.06516	5.9
109.10143	12.0
111.04424	2.2
111.08053	6.9
113.06016	2.3
113.09628	1.5
115.03920	1.5
119.08578	4.0
121.06528	3.8
121.10131	11.2
123.04435	1.5
123.08082	14.1
123.11685	6.6
125.06003	6.0
125.09641	10.9
127.03927	19.5
131.08588	2.5
133.10150	4.8
135.08051	2.8
137.06047	1.9
137.09634	2.2
139.11186	29.4
145.04956	8.3
145.10103	2.8
147.08101	1.5
147.11732	2.8
149.05968	1.8
149.09639	3.9
149.13252	3.1
151.11189	35.5
153.09053	2.2
155.10616	2.2
163.11205	4.6
167.07042	4.8
167.12993	2.9
167.14326	36.2
169.12230	5.0
173.13287	3.2
179.14243	1.6
181.12239	47.1
185.08093	8.2
191.14311	4.9
195.10194	3.3
199.11119	1.7
209.15373	100.0
210.15697	2.1
221.15440	2.9
233.15289	8.4
251.12732	2.0
263.16351	1.9
275.16373	3.1
276.72739	1.8
293.17419	2.3
295.15356	2.6
313.16449	2.1
317.17352	2.8
335.18634	5.0
353.19653	1.9
371.15472	2.5
371.20663	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.61187	1.6
53.03944	6.4
55.01876	12.3
55.05516	30.2
57.03450	7.7
59.05006	3.2
61.02928	9.6
67.05497	6.4
69.03434	40.6
69.07054	3.5
71.04983	5.9
71.41129	2.0
73.02912	6.1
75.29053	1.5
79.05477	7.0
81.03428	12.2
81.07061	10.5
83.04488	2.4
83.04981	46.0
83.08625	33.1
85.02906	53.2
85.06543	3.7
87.04460	6.9
91.03936	2.0
91.05470	3.6
93.07047	7.2
95.04964	10.0
95.08617	8.8
97.02891	21.5
97.06551	12.5
97.10178	3.4
99.04449	5.8
103.03951	6.3
105.07031	5.6
107.04983	2.8
107.08594	17.3
109.02883	7.9
109.05841	1.7
109.06539	6.3
109.10152	12.8
111.08072	7.1
113.09637	1.5
117.07018	2.0
121.06522	3.1
121.10141	11.0
123.08060	10.9
123.11700	6.7
125.05996	5.6
125.09619	11.2
127.03947	13.0
130.59290	1.7
133.10129	5.0
137.06012	2.0
137.09616	2.1
139.11195	22.5
145.04961	6.2
147.07953	2.7
147.11586	2.2
149.05908	2.3
149.09616	2.4
149.13237	5.4
151.11194	38.4
155.10684	2.9
159.11681	3.2
160.11987	2.1
161.09651	3.0
167.07028	4.0
167.14322	40.5
169.12222	6.0
181.08626	1.6
181.12228	36.6
181.13704	2.9
185.08122	6.9
191.14267	3.8
191.52968	1.5
195.10115	3.6
195.13853	2.0
209.15378	100.0
233.15428	7.4
263.16428	2.4
275.16354	2.4
277.14371	2.1
295.15485	2.1
295.20059	1.5
317.17474	2.4
335.18332	4.0
353.19458	2.0
371.16437	2.8
371.20703	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04288	6.7
55.01859	11.5
55.05502	17.2
59.84686	7.4
61.02920	12.2
65.60730	6.9
67.05490	22.8
69.03447	42.0
69.07068	35.4
69.98808	6.2
70.06614	8.2
70.14989	5.9
71.04991	12.1
71.55484	11.8
79.05492	21.8
79.27042	8.0
81.03415	14.5
81.07048	23.3
83.04970	30.6
85.02911	63.3
91.05489	23.0
93.07037	30.6
95.04968	27.3
95.08594	27.0
97.02901	16.4
97.06517	26.0
105.07027	30.7
106.60732	6.5
107.04969	38.0
107.08601	73.2
109.02897	10.7
109.06516	35.9
109.10158	28.4
111.04466	10.2
113.06018	7.2
119.08570	22.9
121.06490	27.0
121.10131	61.0
123.08050	18.7
123.11732	9.0
125.05984	9.7
125.09599	12.8
125.30520	6.9
127.03891	8.9
129.05505	8.6
131.08577	19.7
133.10139	60.0
135.08041	28.1
135.11713	17.6
137.05997	11.2
137.09618	28.3
145.05011	10.5
145.06436	11.9
145.10158	9.1
147.11673	28.9
149.09598	24.9
149.13235	29.5
151.11148	38.7
153.09093	15.0
157.10124	10.8
159.11751	11.1
163.14828	10.6
165.09303	7.4
165.12761	11.6
167.07069	19.5
173.13260	23.6
191.14304	100.0
201.05568	7.8
205.12024	7.6
209.11830	8.9
209.15396	58.8
213.14955	8.1
219.10164	7.5
290.11005	11.9
339.12201	13.4
353.19708	11.3
371.10751	8.3
371.16617	42.9
371.20837	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	371.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23627	1.5
51.95327	1.3
53.03938	5.5
55.01861	4.5
55.05496	5.7
57.03429	3.9
61.02915	3.4
67.05492	4.8
69.03140	1.4
69.03436	16.6
70.52795	5.0
71.01357	2.4
79.05068	2.3
79.05499	38.5
81.03423	9.7
81.07064	4.1
83.01295	1.5
83.04957	5.4
85.02503	1.7
85.02914	18.5
89.28532	1.5
90.38644	1.5
91.05490	19.7
93.07050	100.0
95.04990	9.8
95.08595	2.7
97.02895	13.1
97.06551	1.6
99.04446	3.0
103.05489	2.7
105.07051	8.9
107.08599	34.2
109.02888	17.7
109.06538	3.0
111.04459	3.1
111.08090	2.4
113.02354	2.6
113.06009	1.4
119.08566	2.8
121.06487	2.0
121.10151	71.3
123.04403	4.9
123.08088	1.6
127.03923	45.0
131.08521	3.9
133.10147	2.6
139.03886	14.3
139.11171	2.5
141.05493	3.3
147.11653	1.7
148.62065	1.9
149.09621	15.8
149.89281	1.6
151.03894	3.5
151.11182	2.2
157.04948	4.5
167.10657	3.0
169.04955	10.0
181.12253	2.0
187.05977	8.9
191.14337	4.5
193.08618	2.8
209.15369	11.3
214.28098	1.5
219.09894	1.6
355.11670	1.9
371.16980	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.9
57.03418	3.7
61.02916	5.0
69.03435	15.5
70.02952	2.6
70.06609	2.6
70.12150	9.7
73.02909	4.9
73.04747	5.8
74.02443	14.3
81.03412	3.2
85.02908	41.7
88.03998	3.0
91.05798	8.3
94.06573	88.6
95.04942	2.8
95.52402	2.1
97.02895	16.4
98.97581	5.8
99.00806	10.0
99.04393	2.5
104.04968	10.6
106.06503	2.7
109.02872	5.6
115.03905	3.8
116.03431	3.4
118.06542	39.1
120.04462	31.0
127.03886	5.9
130.06551	4.6
132.04440	8.0
132.08073	6.3
136.07585	46.6
138.05418	2.9
145.05022	3.8
146.06020	69.6
146.08209	2.8
150.05504	19.3
151.48140	3.7
156.04489	4.0
160.07590	8.2
162.05496	2.9
163.08646	7.7
164.07079	6.0
168.08122	4.0
170.06062	9.6
174.05542	23.5
178.08684	4.4
180.06448	3.7
183.06731	2.9
184.07564	5.1
188.07155	4.5
190.04997	7.8
192.06570	100.0
192.10258	3.5
196.07552	5.6
198.05550	4.8
208.07529	4.0
209.07127	4.2
209.09221	74.6
210.07578	8.6
210.11218	8.9
218.06662	3.7
219.01506	2.7
226.08624	3.7
232.06056	2.8
234.07651	5.0
238.08649	2.4
244.09807	2.8
252.06364	3.0
262.10812	5.1
270.07523	13.8
280.12024	3.1
282.07629	3.1
285.01123	7.4
287.10220	2.9
291.30405	3.0
300.08670	4.4
318.09851	11.8
335.12402	3.0
336.10663	7.1
355.07196	5.4
371.14786	3.2
372.16397	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
57.03430	0.4
61.02914	0.3
69.03440	1.2
69.92970	1.1
71.12644	0.2
74.14969	0.2
80.10863	0.2
81.03404	0.6
85.02908	4.3
91.05489	5.4
95.04528	0.2
95.04985	2.0
97.02880	0.6
105.06994	0.5
107.04982	0.2
109.02881	0.5
119.04955	6.0
121.06528	0.3
123.08042	0.2
124.07613	0.4
127.03910	0.6
129.55406	0.3
135.08035	0.3
135.74432	0.2
136.05212	0.7
137.05975	0.7
146.20512	0.2
148.05075	0.4
148.07518	0.2
149.06036	1.0
151.07555	25.1
152.07890	0.4
160.71545	0.2
165.05490	0.3
165.07870	0.3
166.34396	0.2
171.07242	0.2
175.07541	0.3
177.05481	0.4
179.07068	0.2
180.10243	0.8
184.09793	0.3
190.08669	1.7
192.10223	0.4
193.07333	1.2
204.09930	0.2
206.08145	0.4
208.09708	100.0
209.10028	2.6
221.62643	0.2
232.09705	0.6
250.10712	1.6
370.14941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
67.05519	1.5
69.03430	2.5
70.45664	2.9
71.04996	19.3
73.02935	1.1
81.03437	1.3
81.07065	1.2
85.02901	5.7
85.26838	0.8
86.89041	0.8
91.57502	0.7
95.04954	1.6
97.02892	2.3
104.43919	0.8
109.02904	1.8
113.06012	20.8
113.07193	1.0
119.04885	1.0
126.75822	0.7
127.03916	2.2
131.07051	26.9
145.04987	1.8
145.08611	100.0
151.07553	1.7
173.08127	12.3
180.08713	1.4
191.09172	13.2
197.38495	1.0
208.09695	7.5
208.11635	1.3
364.28799	0.9
370.09363	0.9
370.19089	1.1
371.16806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01999	0.5
61.71143	0.5
63.21517	0.5
69.03429	0.7
69.79080	2.8
85.02895	1.2
95.08598	0.9
98.21510	0.5
138.09155	4.7
166.08662	7.8
168.08092	1.4
184.07611	0.8
184.09679	1.0
187.06271	1.0
188.07086	17.9
196.07697	0.6
197.08559	0.8
198.09180	0.7
201.07951	1.1
208.09694	1.5
210.09230	1.0
211.06418	0.7
212.07076	11.2
212.98946	0.5
213.07799	3.3
214.08693	2.6
224.07155	0.8
225.07887	2.6
226.08727	4.5
227.09418	0.9
236.07188	3.3
237.07860	2.8
238.08656	8.9
239.05756	1.2
240.06609	3.2
241.07455	0.8
242.08109	2.6
245.42595	0.6
249.07875	0.6
253.07413	0.8
254.05457	1.0
254.08145	19.5
255.08774	0.9
265.07327	5.5
266.08179	3.5
268.06036	3.0
278.08142	1.7
281.06998	1.0
282.07730	4.8
283.08319	4.4
293.06833	6.3
294.07614	29.3
295.05017	0.9
295.08301	2.6
296.09222	0.9
308.05774	0.7
308.09076	6.8
309.06277	2.1
310.07101	16.1
311.07901	46.6
312.08231	2.0
324.08682	4.6
326.10242	21.4
326.14114	1.1
327.10632	0.9
352.08154	0.9
370.09219	100.0
371.09555	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	369.2788
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.03940	2.4
53.75516	2.1
55.05515	15.5
57.07066	7.1
58.41733	2.1
60.08161	14.8
63.73288	1.8
65.03950	2.1
67.05511	23.9
69.07065	25.8
69.38201	3.1
69.38612	13.0
71.08639	2.3
79.05068	2.4
79.05502	35.4
81.07057	100.0
83.08623	11.1
84.02909	1.8
85.10178	3.1
86.68298	1.8
91.05483	29.4
93.07043	46.5
95.04988	3.8
95.08611	51.1
97.06506	7.3
97.10155	4.5
105.07030	63.1
107.04968	4.3
107.08595	56.1
109.06532	2.5
109.10159	25.7
111.04464	4.8
117.07015	14.9
118.91492	1.8
119.08591	39.8
121.10149	37.7
123.11720	18.1
125.05994	66.3
129.06996	5.4
131.08565	15.2
133.10135	20.9
135.04393	5.8
135.11678	13.2
137.05936	7.0
139.07536	8.0
143.08623	9.5
143.09549	2.1
143.69318	1.8
144.09341	2.4
145.10114	20.3
147.11702	15.7
149.05975	6.4
149.13271	10.9
151.07494	7.2
157.10143	10.9
159.11694	29.0
161.13258	88.5
163.07588	1.9
163.14822	80.3
165.09177	2.1
169.10056	2.3
171.11659	8.9
173.13286	10.0
175.14835	7.5
179.14314	2.8
183.11633	3.0
185.13243	5.1
187.11191	4.2
187.14803	8.9
189.12787	11.8
189.16306	3.1
193.12170	1.9
197.13263	3.4
199.14798	10.2
201.16379	11.4
205.12236	33.8
207.13803	25.0
211.14780	4.5
213.16423	7.3
215.17961	4.1
227.14397	2.2
227.17912	5.2
229.19589	2.4
231.13963	2.5
233.15331	3.3
239.18079	2.7
241.19429	4.2
243.20833	1.9
245.15421	7.3
247.16905	5.1
253.19557	3.5
267.21078	5.6
273.18549	4.1
288.66031	2.0
301.60349	2.1
323.27325	58.7
325.28952	6.4
341.28445	4.7
351.26697	5.6
368.42502	16.4
369.27875	99.7
369.42850	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13822	2.9
55.05510	5.9
57.07065	5.5
60.08173	7.0
67.05513	20.1
69.07072	24.6
69.24949	8.9
69.25362	19.1
79.05500	30.3
81.07064	71.3
81.96246	2.7
83.08611	6.6
91.05497	19.9
92.87488	2.8
93.06541	3.5
93.07053	34.4
95.08611	42.7
97.06499	4.5
105.07037	51.5
107.08601	53.0
109.10165	22.0
111.04456	5.4
115.47294	2.8
117.06976	5.9
119.08605	29.2
121.10149	35.8
123.11713	7.5
125.06002	53.3
131.08553	13.7
133.10103	14.4
135.04448	4.0
135.11713	13.2
137.05969	5.8
139.07539	11.6
143.08551	6.2
145.10112	16.5
147.11682	10.3
149.05965	4.3
149.13269	13.7
151.07538	10.4
157.10164	11.2
159.11687	25.6
161.13260	71.8
161.14609	3.8
163.14828	87.3
164.03072	2.8
171.11687	8.0
173.13269	10.1
175.14757	3.0
183.11711	3.4
185.13252	9.6
187.14854	8.6
189.12709	8.3
199.14857	10.5
199.45216	2.8
201.16293	3.6
205.12242	22.8
207.13817	22.7
213.16409	5.5
215.17984	5.8
227.17953	8.5
229.19507	4.3
233.15349	5.2
239.17924	4.3
241.19518	6.6
245.15440	4.8
255.21019	4.4
267.21036	8.0
287.20068	3.9
295.24164	3.7
311.55118	3.1
313.21545	5.4
323.27325	61.7
325.28812	6.2
326.77325	3.0
341.28421	5.4
351.26788	7.0
368.42453	6.4
369.27893	100.0
369.42871	32.7
380.20450	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	369.1908
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
53.03943	5.8
55.01867	2.5
55.05520	3.4
57.03432	4.7
60.59056	1.4
61.02919	2.5
65.18529	1.4
67.05505	8.2
69.03429	42.8
69.07071	2.5
71.04981	5.3
71.57584	2.2
73.02914	7.2
79.05485	4.9
81.03432	16.7
81.07066	18.6
83.04982	4.3
84.63007	1.8
85.02910	100.0
85.33264	1.9
86.55701	1.8
87.04468	4.9
91.04973	1.5
91.05469	10.4
93.07054	4.9
95.04977	2.2
95.08601	11.0
97.02882	17.0
99.04456	13.3
101.02380	1.8
105.07050	17.0
107.08608	8.8
108.24474	1.6
109.02853	5.2
109.06518	7.3
109.10164	31.9
111.04419	4.7
116.16912	1.6
117.07038	5.0
119.04929	6.5
119.08584	18.7
121.06445	2.1
121.10127	12.3
123.04431	2.5
123.08069	3.6
123.11711	81.0
125.05991	19.9
127.03930	13.0
129.06975	3.0
131.08574	5.4
133.06540	3.3
133.10126	5.0
135.08058	2.4
137.05907	1.7
137.09618	2.0
139.07538	4.9
143.08508	2.8
145.04958	6.0
145.10136	11.4
147.04413	5.1
147.08061	6.7
147.11711	21.5
149.05977	1.9
149.09631	13.1
151.07550	14.1
156.09348	5.0
159.08089	3.8
161.09584	3.2
161.13313	3.7
163.11223	4.6
165.12746	3.8
167.07056	2.5
171.11717	4.6
174.10452	4.6
175.03926	6.6
175.07494	1.7
189.12773	33.0
191.14268	3.9
192.10222	2.1
207.06531	11.7
207.13811	83.1
208.14297	1.9
208.70776	1.6
225.14893	10.9
251.09067	2.7
269.10266	4.2
322.59818	1.7
333.16992	14.6
351.18054	42.2
351.22012	1.5
352.06137	2.4
352.18408	2.2
369.14722	3.5
369.19095	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	368.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.3
57.03429	7.7
57.28674	6.0
63.41770	5.3
68.84556	5.7
69.03437	19.0
69.07105	6.2
71.05006	6.7
71.07321	6.3
71.07679	6.8
71.49596	5.7
72.08149	13.4
72.93803	5.4
73.02943	5.8
79.05461	6.2
81.07062	11.1
83.04995	7.9
85.02914	39.3
93.07042	17.9
95.04995	9.4
95.08609	19.4
97.02922	7.8
97.06548	11.8
98.06030	5.3
107.05002	5.3
107.08617	25.8
107.98535	6.5
109.02895	7.1
109.10162	21.8
110.07195	19.2
118.06543	5.4
120.08135	18.9
127.03910	10.8
135.11711	77.4
136.07599	25.6
137.05876	5.6
139.03896	13.5
140.06915	6.1
144.08052	8.4
145.05008	14.5
145.08533	6.1
146.06059	9.3
147.04523	13.5
147.06348	7.4
153.09131	8.0
153.12775	100.0
156.08052	6.5
159.11316	6.0
163.06032	14.8
164.07065	35.7
166.08644	9.0
171.10213	14.5
171.13782	7.6
173.04697	12.3
178.04979	12.8
182.08241	11.7
186.66115	5.5
188.07042	10.1
189.07448	11.6
206.04532	25.3
206.08130	85.1
227.51738	5.8
230.09897	6.8
234.99132	8.1
279.10602	8.3
333.11893	6.7
368.16977	13.0
370.89932	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	369.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.9
56.05039	3.9
56.96575	0.7
57.07072	0.5
57.20377	0.4
61.02935	0.9
67.05508	2.6
68.80225	0.4
69.03432	2.0
70.06588	1.6
70.39736	1.5
73.02929	0.9
74.06087	0.8
79.35464	0.4
80.05017	0.5
81.03430	2.1
82.06584	10.0
83.04974	1.0
83.07364	0.5
84.04514	1.7
84.08147	100.0
85.02921	1.6
85.06545	1.2
85.08485	0.6
86.09707	0.9
91.97324	0.5
92.49716	0.5
94.06593	0.5
95.04992	1.1
96.04518	1.1
96.08134	1.3
97.02891	3.5
98.06050	0.6
98.09702	4.4
99.04470	0.5
103.03955	1.8
109.02896	1.0
110.06062	0.9
111.04435	1.3
112.07643	1.2
114.09217	0.6
122.06086	0.7
123.04417	1.0
124.07620	0.6
124.11249	0.5
124.76311	0.4
126.05521	1.2
126.09161	1.1
126.59406	0.5
127.03886	0.7
128.07089	13.5
130.08649	34.9
131.09052	0.8
134.09660	2.0
134.10629	0.5
138.09148	0.8
140.07094	0.8
142.08644	2.3
147.11284	2.9
150.09190	1.6
153.05560	0.6
159.11298	3.8
159.73460	0.5
162.09195	0.5
164.10736	1.3
168.06500	0.5
168.10236	2.7
169.04997	1.1
171.06522	0.5
171.11307	0.8
179.00772	0.7
179.11877	0.6
180.10251	2.7
186.07658	0.9
187.12262	0.5
189.12375	0.8
192.10185	0.7
195.11267	0.7
204.08711	0.8
206.11766	0.7
210.11295	0.9
213.12344	8.4
213.14201	0.6
221.01875	0.8
222.09756	0.8
225.12367	8.4
234.11320	0.8
252.12297	4.1
255.13519	1.3
258.40106	0.5
270.13354	5.0
297.14505	1.4
303.15616	1.0
306.15524	0.6
315.15588	3.6
333.16559	6.0
351.17630	40.9
352.18170	0.9
357.92368	0.6
368.99881	0.7
369.18698	14.7
369.23087	0.9
370.19022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
61.02935	0.8
69.03424	2.0
71.34669	0.6
73.02932	0.6
73.15501	0.3
81.03415	1.1
82.25011	0.3
85.02910	6.5
85.53176	0.3
87.04475	0.6
91.03947	0.4
97.02887	2.3
106.74173	0.3
109.02888	0.9
127.03916	1.1
132.04466	7.8
145.04945	0.7
146.06017	0.5
160.03932	0.4
178.05005	67.7
179.05356	1.4
189.07431	0.5
206.04497	100.0
207.04834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57987	0.2
59.07495	0.3
67.05508	0.4
69.03415	0.4
69.07112	0.3
69.33495	2.4
79.05484	0.4
81.07049	0.5
91.05482	0.6
93.07037	0.4
98.21537	0.6
105.07031	0.8
107.08607	0.5
117.22884	0.3
119.04940	0.3
119.08540	0.5
121.10197	0.5
128.71582	0.2
135.11702	0.3
145.10017	0.3
175.03935	0.4
194.06018	0.4
206.06000	0.3
207.06548	0.8
211.03938	0.3
217.01064	0.3
220.03867	0.5
222.03253	0.3
222.05424	1.6
234.05508	1.9
235.03893	1.2
235.06157	0.3
248.03438	2.6
250.05009	13.7
251.03265	0.5
252.06647	0.6
253.05026	0.5
260.03394	0.4
262.05032	1.4
264.06558	0.4
265.05106	0.4
269.04575	0.3
276.02817	0.7
278.04489	18.9
279.05115	0.3
280.03610	1.4
280.06125	0.7
281.04407	0.3
290.04626	0.3
292.06088	4.4
293.04361	2.2
306.03992	17.4
308.05515	5.4
318.04077	0.5
333.16870	0.3
336.05023	100.0
337.05441	2.6
349.18311	0.3
368.07953	0.5
368.12091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05515	14.5
57.07069	4.7
59.04980	2.5
62.74353	1.7
65.03946	3.4
67.05510	80.7
69.07068	17.6
71.05009	13.0
71.08632	2.6
71.56142	2.7
79.05501	43.7
81.07064	100.0
83.08617	8.8
89.06048	9.8
91.05493	32.7
91.88376	1.9
93.07049	52.7
95.04970	3.8
95.08615	66.8
97.06532	5.1
97.10174	5.5
99.08081	2.8
105.07037	37.1
105.08121	2.4
107.04925	2.4
107.08610	36.5
109.06487	3.9
109.09451	3.5
109.10162	34.8
117.07022	13.1
119.07791	2.7
119.08586	26.5
121.10143	28.5
123.08066	1.8
123.11726	18.1
125.06020	12.1
129.06966	5.9
131.08568	23.9
133.10146	22.4
135.04491	2.8
135.08044	5.1
135.11699	22.2
137.05894	2.1
137.13254	9.0
139.07541	2.9
142.07758	2.6
143.08565	7.4
144.09309	3.0
145.10146	20.8
147.11716	14.5
149.09543	2.2
149.13280	14.8
151.14822	1.9
153.06964	1.9
155.08609	7.4
157.10156	10.8
159.11702	41.0
161.13277	36.4
163.14845	15.1
169.10132	4.7
171.11676	6.8
173.09653	3.4
173.13275	15.2
175.14789	4.3
177.12805	2.3
177.16370	5.1
179.14296	2.6
181.10133	3.1
183.11668	2.0
185.13318	3.9
186.87900	1.8
187.14812	8.2
189.08977	2.2
189.12784	2.3
191.10715	3.4
195.11774	4.1
197.13397	3.2
199.07547	1.9
199.14821	3.0
201.16341	3.4
205.12233	4.9
206.10973	2.1
207.13699	3.7
209.13275	3.1
211.14961	3.3
213.16280	3.4
225.16270	2.2
229.12262	2.1
239.17822	2.2
243.13855	3.7
243.21117	7.8
245.22632	2.4
261.22168	51.6
263.23654	3.3
265.19455	2.5
279.23206	20.8
303.21008	2.6
321.22293	4.2
321.25760	13.2
323.27213	7.8
349.27850	13.7
367.22061	3.0
367.26050	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	367.2633
Annotation	homo-Plakotenin
Peak:m/z	Relative Intensity
52.75489	0.9
53.03931	1.9
55.05507	6.0
57.03422	1.0
57.07071	1.1
65.03941	1.3
67.05511	12.7
69.07070	13.4
70.81753	2.3
79.05498	21.6
81.07060	53.6
83.08608	3.8
91.05489	21.2
93.07043	19.8
95.04943	2.3
95.08609	18.7
97.06524	4.4
97.10174	1.8
103.68967	1.1
104.06219	1.2
105.07032	52.2
107.04967	3.9
107.08588	14.0
109.06481	1.5
109.10172	6.7
111.04446	4.7
115.05444	1.6
117.07012	15.5
119.08583	30.6
121.10152	8.5
123.08078	1.3
123.11700	3.0
125.05994	46.8
128.06232	1.2
129.06984	4.8
131.08583	18.5
133.10129	14.4
135.04457	4.8
135.11700	3.3
137.05980	4.4
137.09624	1.5
139.07541	4.3
142.07809	2.7
143.08525	6.0
144.09337	5.3
145.10120	10.0
147.11697	5.2
149.06003	2.8
149.13284	5.0
151.07578	3.2
155.08556	2.9
157.10136	13.7
159.11699	100.0
160.12099	1.9
161.13260	87.6
162.13663	1.1
163.07613	1.4
163.14830	11.4
165.16385	1.2
169.10117	3.6
171.11700	3.9
173.13278	5.1
175.14890	1.8
183.11664	3.1
185.13277	4.9
187.11191	1.4
187.14812	1.9
187.93678	1.0
189.09065	1.1
189.12762	3.7
189.16415	1.1
195.11726	2.0
197.13287	7.2
199.14825	3.8
201.16464	1.7
203.10664	4.5
205.12256	18.6
207.13832	17.4
209.13289	1.4
211.14864	4.1
213.16499	2.5
223.14807	1.7
225.16400	3.2
227.17938	1.6
231.13861	2.5
237.16388	2.4
239.17989	3.5
241.19551	4.3
243.13841	1.7
251.17989	2.1
252.18723	1.2
253.15923	1.4
253.19608	1.6
265.19574	3.3
271.16965	1.5
287.20175	2.8
311.20093	2.2
321.25800	28.7
323.27365	3.5
339.26996	1.3
349.25296	2.3
367.26346	66.5
368.26657	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	367.2635
Annotation	homo-Plakotenin
Peak:m/z	Relative Intensity
53.03946	0.9
55.05523	4.8
56.17145	0.6
57.02166	0.5
57.07069	1.7
60.11321	0.6
61.67603	0.6
65.03926	1.1
67.05511	10.2
69.07071	17.4
70.52408	2.0
71.08622	2.7
72.08137	0.7
73.33508	0.6
79.05499	11.2
81.06580	1.4
81.07063	26.6
83.08635	3.9
91.05487	15.8
93.07053	15.0
95.04944	1.7
95.08613	19.9
97.06525	1.5
97.10176	1.6
98.21417	0.7
103.05492	1.0
105.07040	24.8
107.04936	0.7
107.08603	13.1
109.10164	8.5
111.04426	2.0
115.05488	0.8
117.07031	9.9
119.08589	16.0
121.10152	8.2
123.11737	3.4
125.05995	5.9
128.06181	1.5
129.06989	5.2
131.08580	13.0
133.10141	8.7
135.04430	2.6
135.11697	7.6
137.05939	1.4
137.13284	1.0
139.07587	0.8
141.06972	3.8
142.07796	1.5
142.80074	0.6
143.08574	6.9
144.09309	1.2
145.06554	0.7
145.10123	11.0
147.07956	0.8
147.11708	4.7
149.05943	2.2
149.07092	0.7
149.13278	4.6
151.07570	0.7
154.07678	0.6
155.08546	5.5
157.10146	9.8
158.10925	0.7
159.11707	24.2
159.13039	1.2
161.13269	28.1
163.07562	0.9
163.14836	4.1
167.08563	2.6
168.09375	0.8
169.10135	7.6
171.11716	5.4
173.06030	0.6
173.13235	6.1
175.07590	1.1
175.14752	1.9
177.09087	1.3
180.09419	0.6
181.10147	4.0
182.10909	1.0
183.11711	8.0
185.13278	10.4
187.07515	1.0
187.11118	0.8
187.14825	4.0
189.09250	0.8
189.12814	1.4
189.16412	1.0
195.11757	4.1
196.12418	0.6
197.13277	6.6
199.11253	0.6
199.14865	6.2
201.16406	1.0
203.10652	2.0
205.12216	4.9
207.11969	1.0
207.13834	2.6
209.13283	3.3
211.11292	0.9
211.14833	5.0
213.16357	4.0
215.10791	1.6
215.14337	0.7
215.17850	1.1
217.12334	1.1
219.13785	1.0
221.13225	0.8
223.14795	4.6
225.16406	8.0
227.10719	0.9
227.17935	1.8
229.12279	2.3
231.13876	2.3
235.14900	0.8
237.16444	4.8
239.17937	4.9
241.12228	0.7
241.19621	1.5
243.13820	2.4
245.15344	1.5
246.80960	0.6
249.16289	1.0
251.17943	5.1
253.16049	0.7
253.19511	1.3
255.13922	1.5
257.15390	0.9
259.16998	0.7
265.16739	0.9
265.19504	5.7
267.17487	0.8
267.58881	0.6
269.15375	1.9
271.16953	2.1
274.40414	0.6
279.21204	1.9
283.16965	3.4
285.18558	3.7
293.19147	0.7
293.22617	1.3
295.16809	1.2
295.24176	3.9
297.18466	9.6
299.20105	1.0
311.20053	5.8
321.25775	31.8
322.26215	1.2
323.27188	1.4
331.24036	1.0
339.23087	1.2
339.26837	1.3
349.25195	3.0
349.31323	0.7
365.24744	2.3
367.26346	100.0
368.26746	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05519	5.8
57.07076	2.9
61.56432	0.9
65.03951	1.7
67.05508	13.4
69.07072	20.3
69.27820	0.9
69.43026	7.7
69.57561	0.8
73.71545	1.1
79.05502	13.6
81.07064	36.9
83.08634	6.2
91.05489	21.3
91.06016	1.9
93.03393	1.1
93.07050	21.1
95.04981	1.4
95.08610	23.3
97.06548	1.9
97.10173	3.1
98.20935	3.3
103.05452	1.3
105.07038	45.1
107.08599	20.1
109.06520	1.2
109.10165	13.1
111.04461	1.4
115.05493	1.3
117.07031	12.4
119.08585	23.4
121.06506	1.6
121.10149	14.1
123.11721	4.2
125.06002	6.3
128.06213	1.5
129.07008	7.5
131.08572	18.8
133.06512	1.7
133.10146	12.9
135.04448	4.2
135.08084	1.1
135.11708	10.2
137.06035	1.9
137.09708	1.1
137.13272	1.5
139.07526	5.5
141.07024	2.6
142.07756	1.9
143.08566	10.1
144.09366	2.4
145.10141	13.0
147.11691	8.2
149.05986	2.6
149.13278	5.2
151.07585	2.5
153.06927	1.2
155.08556	8.2
156.09332	1.2
157.06532	1.2
157.10118	13.6
159.08104	1.1
159.11703	40.7
161.06003	1.3
161.09634	1.6
161.13266	45.0
163.07649	1.1
163.14854	7.1
165.09131	0.9
167.08548	2.3
168.09427	2.0
169.10126	8.4
171.11693	12.3
173.13266	5.9
175.07530	0.9
175.11217	1.1
175.14891	1.6
177.09105	6.2
177.12654	1.2
181.10075	5.5
182.10956	1.1
183.11667	9.7
185.13264	11.2
187.07552	1.5
187.11258	1.4
187.14868	4.5
189.09216	1.7
189.12749	1.7
189.16351	2.3
191.10713	2.2
195.11684	8.6
197.09528	1.0
197.13269	10.7
199.11089	1.2
199.14796	8.0
201.09216	1.5
201.16415	1.5
203.10715	2.9
205.12248	27.1
207.13823	3.1
209.13281	5.7
211.14812	7.7
213.09111	1.3
213.16399	5.4
215.10780	1.4
215.14362	1.2
217.12271	1.6
221.13304	1.3
223.14880	6.6
225.16344	8.3
227.17982	3.3
229.12257	2.0
231.13835	3.8
237.16333	6.2
239.17932	11.6
241.12355	1.4
241.19606	2.3
243.13832	3.6
243.17719	1.2
244.11357	1.0
245.15408	2.8
251.17836	6.6
253.19522	3.1
257.15381	1.3
263.17917	1.8
264.18924	1.1
265.19531	11.2
266.20288	1.2
267.17395	1.2
267.21082	2.7
269.15442	3.5
269.18619	0.9
271.17041	2.2
271.19894	1.1
277.19092	1.0
279.21082	2.6
283.16977	3.0
285.18521	7.7
293.19034	2.0
295.24228	9.4
297.18445	3.8
299.20154	1.3
306.23477	1.2
311.20160	9.5
321.25775	52.6
322.26208	2.3
323.27377	5.6
325.21475	2.0
331.24170	1.4
339.23416	1.9
339.27005	2.9
349.21683	1.5
349.25269	6.0
367.26364	100.0
368.26703	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.05510	16.0
57.02129	2.3
66.36803	3.1
67.05508	26.6
69.07074	22.6
70.49374	8.6
79.05496	29.7
81.06580	4.4
81.07056	81.0
81.55245	3.0
83.08606	5.6
91.05490	41.8
93.07045	42.2
95.08611	49.9
97.10201	4.7
103.05426	4.6
105.07038	64.1
107.08601	56.9
109.10166	24.0
111.04433	5.4
115.05489	5.3
117.07011	47.4
119.08591	39.0
120.08985	3.1
121.10154	31.3
123.11676	8.5
129.06978	13.8
130.07837	2.5
131.08575	29.6
133.10139	17.6
135.04404	11.8
135.11711	19.3
141.06984	4.0
142.07796	4.3
143.08565	13.5
144.09380	6.1
145.06509	4.3
145.10118	21.7
147.11702	8.8
149.06013	8.2
149.13290	4.9
155.08583	10.4
157.10150	24.1
159.11693	94.1
161.05977	3.4
161.13260	48.2
161.14563	3.6
163.07579	7.0
163.14818	54.5
167.08522	3.3
169.10161	9.0
171.11758	13.5
173.13246	9.5
177.09050	3.1
181.10146	4.2
183.11702	7.6
185.09639	2.9
185.13315	11.2
187.11185	9.4
187.14902	7.7
195.11795	7.2
197.13257	8.7
199.14838	8.4
201.16452	4.9
203.10648	18.7
205.12241	80.7
206.12633	2.6
209.13258	8.6
211.14861	7.1
213.16466	9.0
217.12199	2.6
223.14783	4.1
225.16351	5.4
227.17938	6.2
231.13690	5.8
233.15408	4.0
237.16396	7.6
239.18034	8.6
245.15456	5.9
251.17990	8.7
253.19598	4.2
265.19424	8.0
279.21185	4.9
285.18442	4.7
303.69598	2.8
307.20755	2.7
311.20047	6.0
321.22101	2.1
321.25751	55.1
323.27463	7.8
339.26828	4.0
349.25281	7.1
367.26361	100.0
381.41321	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05520	7.9
57.07069	2.1
65.03918	1.7
67.05515	16.0
69.07072	16.1
69.69413	3.0
69.69823	4.9
79.05495	21.7
81.07059	65.6
83.04991	1.8
83.08610	4.0
91.05486	28.5
93.07049	26.6
95.08604	24.7
97.02866	1.6
97.06535	3.3
97.10162	3.0
98.20742	2.6
105.07037	42.4
107.04961	3.4
107.08599	20.5
109.06546	2.1
109.10161	11.3
111.04433	3.6
117.07015	15.3
119.08591	24.9
120.08796	1.4
121.10132	14.1
123.11713	4.2
125.05997	36.4
125.06853	2.8
128.06227	3.6
129.06985	6.7
131.08571	24.2
133.06470	2.6
133.10141	21.8
134.10478	1.7
135.04417	4.4
135.08022	2.3
135.11732	7.1
137.05986	5.7
137.13277	1.8
139.07579	4.6
140.47641	1.3
141.07018	3.7
142.07784	4.4
143.08572	10.8
144.09363	2.6
145.06577	1.5
145.10124	12.3
147.08044	2.2
147.11674	10.0
149.05997	2.6
149.09689	1.8
149.13306	8.5
150.70107	1.6
151.07564	2.9
155.08586	6.0
156.09344	1.7
157.10130	22.2
159.08049	1.7
159.11699	51.1
159.13016	2.5
160.12070	1.8
161.09659	2.6
161.13266	67.9
162.13593	3.0
163.07578	3.7
163.14818	8.8
167.08530	1.8
168.09277	1.3
169.10100	6.8
171.11752	6.1
173.13286	11.5
175.14828	4.3
178.41594	1.3
181.10156	2.5
182.11092	1.8
183.11745	5.9
185.09673	2.6
185.13293	5.7
187.11247	2.0
187.14803	4.1
189.09099	1.7
189.12738	4.0
191.10587	1.8
195.11745	3.2
197.13310	5.1
199.14877	4.3
201.09177	1.4
201.16376	12.5
203.10768	1.6
203.14273	1.3
205.12251	18.4
207.11853	2.1
207.13770	16.2
209.13297	3.0
211.14836	5.1
213.16394	2.9
221.13252	2.0
223.14842	1.8
225.16373	4.8
227.18040	4.6
229.19505	1.5
231.13841	5.4
239.17958	3.6
241.12251	1.5
241.19582	3.0
243.13864	4.4
245.15392	2.8
249.16173	1.6
251.18039	3.8
253.19496	2.5
263.17957	2.0
265.19559	5.4
273.18503	2.2
293.22800	2.0
295.24124	1.8
311.19977	2.9
318.49771	1.8
321.22156	2.7
321.25726	34.1
323.27289	29.0
324.27386	1.9
336.21625	1.4
339.26923	3.8
349.25119	3.2
363.20279	1.5
367.26349	100.0
368.26785	2.8
394.63095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	homo-Plakotenin
Peak:m/z	Relative Intensity
53.03941	3.7
55.05513	11.9
57.07073	2.8
67.05507	22.4
69.06787	1.9
69.07079	19.3
70.71998	2.3
70.72337	3.6
77.81141	2.0
79.05504	22.3
79.89489	1.4
81.07063	56.2
83.08636	8.4
91.05489	20.0
93.07045	28.5
95.04977	2.1
95.08617	45.3
97.10154	1.9
105.07045	41.0
107.08598	35.1
109.10171	24.1
115.05452	1.9
117.07020	21.0
119.08589	21.1
121.10159	21.5
123.11725	4.5
125.06023	3.1
128.06229	3.5
129.07008	10.1
131.08578	21.6
133.10156	14.2
135.04437	4.0
135.11725	9.0
141.07018	3.0
142.07813	4.5
143.08568	15.8
144.09360	3.1
145.10120	17.2
147.11691	8.8
149.05997	3.7
149.13292	4.2
151.07597	1.7
155.08557	10.0
157.10141	17.6
159.11699	26.6
161.05980	3.3
161.13263	26.2
163.07590	3.8
163.14833	27.7
167.08598	2.9
169.10106	11.9
171.11671	6.7
173.13292	7.2
175.07570	2.6
175.11269	2.0
175.14871	3.0
181.10207	7.9
183.11771	11.1
185.13272	6.3
187.07501	2.9
187.11099	2.5
187.14810	3.7
189.09071	2.9
191.10606	2.8
195.11739	8.2
196.12476	2.3
197.13277	10.0
199.14877	9.0
201.09029	1.9
201.16391	3.4
203.10690	13.3
205.12254	12.8
209.13283	6.2
211.14824	7.2
213.16389	6.8
215.10747	3.2
223.14870	3.9
225.16368	10.0
227.17932	2.2
229.12340	1.9
233.15324	2.3
237.16403	3.7
239.17908	12.2
241.19592	2.5
243.13797	5.4
245.15378	4.1
251.17986	5.1
253.19553	5.6
257.15308	5.0
265.19504	11.0
267.21100	2.7
271.17157	3.2
279.21088	2.9
283.17032	2.6
285.18530	17.2
293.22375	2.7
297.18463	7.0
311.20120	21.6
321.25778	33.8
323.26978	3.6
339.26730	3.1
345.57529	1.8
349.25305	5.8
352.60941	2.1
367.26321	100.0
368.26624	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	367.2635
Annotation	homo-Plakotenin
Peak:m/z	Relative Intensity
53.03951	2.7
54.42773	2.1
55.05510	12.2
56.10906	1.9
57.07080	2.6
65.03925	2.6
65.35228	2.2
67.05219	2.4
67.05511	23.9
69.07070	15.3
69.36261	2.0
69.59827	11.2
69.60249	4.3
79.05499	24.9
81.06583	3.0
81.07063	61.6
83.04969	2.4
83.08612	6.1
91.05482	31.1
93.07049	34.0
95.04965	5.0
95.08610	40.3
97.06566	2.9
105.07037	100.0
107.04933	2.9
107.08598	38.4
109.10152	22.5
111.04471	5.2
111.47791	2.3
117.07013	21.1
119.07787	4.0
119.08584	49.3
120.08966	3.4
121.06500	3.2
121.10140	27.5
123.11700	9.9
125.05997	14.3
128.06244	2.5
129.06987	5.6
131.04961	2.7
131.08586	23.2
133.10135	18.2
135.04398	8.6
135.11699	13.6
137.13266	3.2
141.06967	4.0
142.07822	4.5
143.08591	13.8
144.09306	3.4
145.06476	2.6
145.10129	19.5
147.11714	12.3
149.06010	8.8
149.13266	7.4
155.08528	6.4
157.10150	21.8
158.10957	2.5
159.11710	68.3
161.13277	68.5
163.07585	4.8
163.14853	23.3
167.08487	2.5
169.10147	5.3
171.11679	10.2
173.13269	13.7
175.07547	3.1
175.14859	9.3
181.10133	5.4
183.11705	7.4
185.09613	2.3
185.13293	8.1
187.11194	6.2
187.14853	6.3
189.12798	3.5
191.10760	2.6
193.10117	2.1
195.11739	5.4
197.13278	9.2
199.14812	10.3
201.16380	2.9
203.10657	5.0
205.12263	55.2
207.13866	4.2
209.13213	5.8
211.14810	7.8
213.16475	7.3
215.10745	3.2
219.13815	2.8
223.14806	3.5
225.16402	7.9
226.01083	2.0
227.18004	5.3
231.13835	6.7
237.16547	2.3
239.18039	5.8
243.13829	6.4
245.15442	6.3
251.17973	6.1
253.19778	3.6
259.16843	2.5
265.19489	6.2
267.21063	2.8
271.17020	4.0
279.21136	2.4
285.18140	2.5
297.18747	2.3
301.47018	2.3
311.20071	5.9
321.25766	46.2
322.26379	2.8
323.27466	7.3
331.24249	3.1
338.41943	2.1
339.26968	8.3
349.25330	7.7
367.26349	95.2
368.26581	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05506	2.6
67.05512	7.6
69.07065	5.6
70.68925	1.5
74.99546	0.6
79.05493	7.3
81.07062	27.2
83.08631	3.3
87.43845	0.6
91.05478	4.6
93.07053	6.8
94.07562	0.6
95.08611	9.8
97.06514	1.2
97.10176	1.3
105.07037	14.3
107.04938	0.8
107.08599	6.9
109.10162	6.0
111.04463	1.3
117.07054	4.5
119.08583	25.1
121.10160	4.3
123.11716	0.8
125.06001	13.6
128.06259	0.8
129.07016	3.2
130.07782	1.7
131.08583	10.8
133.10150	3.4
135.04437	0.9
135.11690	2.8
137.05971	1.4
139.07549	1.6
141.07025	1.3
142.07762	4.4
143.08543	1.8
144.09373	5.5
145.10127	15.9
147.11661	1.5
149.13252	3.0
151.07523	1.1
155.08575	1.5
156.09303	0.7
157.10143	31.0
159.11700	100.0
160.12090	1.8
161.13258	12.1
163.14842	13.0
165.16374	3.5
169.10112	3.3
171.11707	3.4
173.13235	1.5
175.11201	1.1
177.16338	1.3
183.11664	1.1
185.13240	1.2
187.11160	0.9
187.14874	0.7
189.12735	1.5
191.14325	1.0
195.11780	0.7
197.13257	1.8
199.14783	0.9
201.16338	1.0
203.10666	1.5
205.12263	2.6
207.13806	4.7
209.13345	0.8
211.14905	1.3
211.16879	0.9
213.16493	0.8
220.07022	0.7
239.18066	1.0
241.12244	0.6
241.19511	2.2
243.21077	1.1
251.17880	1.0
265.19501	0.7
284.56516	0.6
285.18423	0.7
287.20038	4.1
297.18588	0.8
321.25793	11.4
322.25949	0.9
323.27448	1.6
349.25168	1.4
367.26306	16.3
376.20450	0.7
388.27014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00092	13.6
70.00490	8.1
116.92027	3.6
167.33427	4.6
186.11818	3.5
355.38565	5.1
367.10110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90144	2.3
55.09233	2.5
70.06619	3.1
70.78054	7.0
80.00198	2.3
85.02932	5.4
92.38059	2.2
97.02908	3.1
102.72055	2.3
116.50674	2.5
119.02036	4.0
145.03479	3.7
147.03152	3.6
157.03496	8.6
170.34518	2.5
173.03009	4.5
175.04591	9.2
180.87445	2.4
185.02975	2.6
193.03809	2.8
196.04323	9.6
205.01445	7.0
210.43047	2.3
221.08966	2.4
221.71754	2.2
265.02222	11.5
275.06412	2.4
367.06366	9.6
367.10202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
53.86660	0.9
55.01871	3.9
57.03429	4.5
59.62933	1.4
62.02448	4.0
62.87179	1.0
67.05511	1.1
69.03140	1.2
69.03439	15.8
71.01351	3.6
71.04985	4.6
71.57984	2.0
79.05492	1.7
81.03419	5.7
81.40359	1.2
85.02926	1.2
91.05456	3.9
93.07034	1.6
95.04980	1.9
97.02892	1.7
99.04452	6.3
105.07029	2.2
107.04951	2.5
107.08572	3.6
115.05472	1.2
117.05524	4.2
118.06469	1.9
119.04951	1.9
120.08046	1.2
123.04414	1.8
123.08056	1.0
131.08546	1.5
132.08145	1.6
135.06477	5.1
135.08061	5.1
137.05942	1.5
139.03831	1.9
145.07643	11.0
145.10077	1.3
147.09210	8.7
151.03835	2.1
159.09169	14.8
163.07552	2.4
165.01859	2.7
171.09238	1.5
173.10820	1.6
175.08685	2.3
178.07140	1.7
184.09929	1.3
185.10750	6.9
186.11589	1.4
187.08755	2.3
187.12242	1.4
190.09763	59.4
191.08173	100.0
192.08440	1.6
197.10770	4.4
199.12289	3.0
213.10289	3.4
215.11818	3.0
225.10231	4.4
231.11363	1.4
233.09293	1.6
243.11383	2.7
245.12888	1.8
254.05374	1.1
267.06317	1.2
268.07184	2.7
271.10696	6.3
279.10245	1.5
283.06009	8.4
289.11844	10.5
296.06851	12.1
306.14487	40.2
307.09711	2.1
307.12866	4.2
311.08981	5.2
324.06335	12.9
324.15561	17.4
339.08633	13.9
358.14801	1.7
358.64557	1.6
367.08279	27.3
367.16104	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08015	1.7
54.84779	1.5
55.01878	4.1
58.99583	5.0
59.93738	1.8
65.28672	2.0
67.05514	2.7
69.03426	3.8
70.06577	2.0
71.57899	3.1
72.08199	1.6
73.02918	9.3
76.02241	4.7
79.05489	3.1
86.00646	3.3
88.02224	9.9
88.03989	11.2
91.05492	3.9
92.32935	2.0
93.07149	2.0
97.01141	2.2
105.07042	2.9
117.07048	3.4
121.06544	3.7
122.02737	10.2
128.06291	2.3
129.07076	1.8
131.08588	2.6
132.01163	6.7
133.10223	1.7
135.08070	29.2
141.06963	2.9
142.07826	2.8
143.08575	7.6
145.06505	6.0
145.10126	20.5
146.02719	4.2
147.08086	3.5
153.06953	2.4
155.08537	11.4
156.09367	5.5
157.06511	2.6
157.10133	4.2
158.07266	14.2
159.08061	17.6
160.08841	24.4
161.09633	13.6
165.06996	3.2
166.07808	3.9
169.06543	5.4
169.10161	3.8
169.12262	2.0
170.10828	2.4
171.06676	1.8
171.07994	8.7
171.11728	6.0
172.08876	9.1
173.09641	100.0
175.07767	1.9
175.11218	4.9
177.03717	6.0
179.08469	2.4
181.10167	3.3
182.07323	10.1
183.08099	8.8
184.08855	26.0
185.09645	24.7
186.10399	6.5
187.11188	1.8
187.13353	2.2
189.09145	2.8
190.04501	2.4
197.09650	27.6
198.10408	30.7
199.11198	70.1
200.11945	4.9
201.03732	3.2
201.09164	7.7
201.12775	33.5
203.05263	2.8
203.10693	29.0
205.06841	17.5
209.09621	8.8
212.08322	4.4
213.07387	2.6
213.09210	2.1
215.05396	2.1
216.06021	13.2
227.10683	35.7
229.06848	2.9
231.08403	84.5
233.09981	17.5
243.10258	4.4
245.11763	82.6
246.11806	2.3
257.09991	3.5
277.08954	37.7
303.10492	3.5
320.13257	10.3
349.10965	9.2
357.15244	2.3
366.13718	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64626	0.1
68.38841	0.1
70.93242	0.2
70.93537	0.1
82.99877	0.2
89.86105	0.1
92.03275	0.1
101.00882	1.4
113.87847	0.1
119.01929	7.8
120.02036	0.2
122.97791	0.2
134.99879	0.7
137.02960	2.9
140.98845	0.3
142.03484	0.3
146.43684	0.1
153.00945	0.4
158.99866	0.9
165.99702	0.3
175.03064	0.3
177.00963	20.0
178.01060	0.8
182.99936	0.4
191.02570	0.2
193.04115	0.4
195.02002	0.4
200.02571	0.3
201.00952	1.2
216.99031	0.3
217.04099	3.0
217.99049	0.2
218.04309	0.2
219.02019	24.3
220.02156	1.2
221.01950	0.3
225.00880	2.3
226.01210	0.1
227.99669	0.2
233.03603	0.2
234.99991	0.6
236.00026	0.7
236.99771	0.3
237.03029	0.2
241.99075	0.3
242.03584	0.3
243.01996	7.3
244.02045	0.4
248.53789	0.1
254.01215	0.1
258.99933	1.0
260.00116	1.5
260.04538	0.2
261.03070	100.0
262.03207	4.7
263.03171	0.7
266.03619	0.4
275.04614	1.7
277.01059	1.1
278.01129	1.4
279.00861	0.6
282.99930	1.9
284.00150	2.7
284.04681	3.4
284.99661	0.9
285.04678	0.2
285.99869	0.2
292.00000	0.1
301.01047	3.1
302.01190	5.5
303.00925	1.8
304.00873	0.2
314.83902	0.1
319.02032	0.1
320.02304	0.4
325.00671	0.1
326.01361	0.4
343.02139	0.6
344.02246	2.3
345.02094	0.4
360.99860	0.2
362.03381	0.6
364.01187	0.4
364.51236	0.1
367.01846	0.8
372.51599	0.3
373.01382	0.3
373.51733	0.2
385.03192	5.2
386.03299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29199	0.3
53.00295	0.3
53.03936	1.1
54.34828	0.3
54.75279	0.3
55.01867	1.0
57.03436	3.6
57.50945	0.4
59.04976	0.5
61.02939	2.0
65.07730	0.4
66.17891	0.4
69.03087	0.5
69.03437	8.9
69.91779	1.8
71.01340	1.2
71.04999	2.4
73.02914	1.2
79.05508	1.0
81.03407	1.4
82.78855	0.4
88.56868	0.4
91.05477	1.7
97.02920	0.5
98.21543	0.4
99.04466	2.2
104.05006	0.5
106.06562	1.9
116.05006	2.9
117.05496	0.4
118.05296	2.6
118.06538	0.6
124.07594	0.7
131.06056	1.4
132.06830	0.8
133.07616	7.8
134.06038	0.5
143.06064	1.7
144.04478	0.5
144.06776	0.6
145.07614	13.8
146.08427	0.9
147.09154	1.1
157.07622	1.9
158.04741	1.0
159.09195	0.8
161.07108	3.2
163.03996	0.5
163.08681	13.7
170.08459	0.5
171.05502	0.9
171.09196	1.0
173.07143	1.5
173.10751	0.6
175.08681	4.8
176.09404	0.9
177.06641	2.4
183.09175	0.8
185.10675	1.2
189.06593	7.8
191.08156	1.2
200.09491	1.7
201.10258	2.9
202.10916	0.4
203.08240	0.6
203.11810	0.7
205.09628	0.5
207.07668	100.0
208.08034	2.2
213.10257	1.1
214.06102	0.7
215.08200	1.0
215.11765	0.7
217.09845	0.5
227.08315	0.5
227.10680	1.2
228.53926	0.4
229.09666	1.2
231.11337	0.8
232.07190	12.3
241.09731	0.5
249.12433	0.7
259.10803	0.4
261.08856	0.4
261.12326	1.3
269.09171	0.5
279.13385	6.4
287.10291	1.1
302.12039	0.4
305.11313	3.2
323.12390	50.5
324.12772	1.2
348.11969	5.6
366.12970	54.4
367.13306	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.6
55.05473	1.0
64.02580	0.6
67.05466	1.2
69.88931	1.3
69.89347	1.9
70.04047	1.1
70.66780	0.7
72.55772	0.7
79.05484	0.9
81.06999	2.5
84.04456	1.0
91.05431	1.5
93.07008	1.4
95.04968	0.8
95.08549	2.3
98.21481	1.2
105.06992	1.7
107.08553	2.2
117.06947	1.4
119.08535	2.6
121.10102	1.2
124.37573	0.8
131.08540	1.2
133.10120	1.3
135.08014	1.6
135.11641	2.5
137.05991	5.1
138.06258	2.3
145.10052	1.2
147.11688	1.2
155.08357	0.9
159.11626	1.4
165.06902	0.9
166.07625	0.8
167.08646	1.0
176.06303	0.7
177.06992	12.8
178.07689	1.2
179.08521	2.4
187.07578	0.9
189.06906	1.8
191.08536	2.4
194.07294	7.3
202.44678	0.7
205.06494	42.0
206.07141	3.3
207.07974	3.0
208.08501	0.8
217.06400	0.8
219.08015	2.3
221.05931	1.0
222.04704	1.2
222.06779	18.1
223.07538	1.5
224.08276	1.7
233.05980	31.8
233.08357	1.6
234.06569	2.6
235.07515	10.8
236.08313	2.0
237.09108	51.9
238.09468	1.4
239.17995	1.1
248.34860	0.7
250.06317	7.2
251.06999	1.6
252.07838	5.0
253.08632	1.7
263.07111	7.4
263.09717	1.2
264.07831	9.2
265.08606	96.4
266.08878	1.7
267.17468	1.4
279.06595	1.5
280.07333	5.9
283.52518	0.7
285.18509	7.4
287.20123	0.9
293.08182	1.6
295.09665	100.0
296.09982	3.5
303.19415	3.3
304.09769	2.1
307.08511	2.4
316.09790	6.5
317.10413	1.5
318.11270	1.3
322.10742	33.8
322.14569	1.6
323.11212	1.6
331.08478	1.9
331.19061	1.4
332.09164	2.1
333.09985	2.9
346.10855	2.3
348.12350	39.0
349.12964	0.8
349.20178	0.8
366.09818	2.4
366.13440	44.5
366.17505	2.4
367.13409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84505	1.1
53.03938	3.1
55.05512	5.8
63.05887	1.1
65.03924	1.7
67.05516	13.7
69.07076	11.8
69.47476	3.2
69.47902	4.7
76.97312	1.0
79.05500	25.3
81.07066	47.8
83.08614	2.4
85.62794	0.9
91.05489	24.7
93.07056	31.4
95.04976	2.5
95.08618	19.7
97.06533	1.5
98.21504	1.3
103.05418	1.3
105.06398	1.9
105.07050	31.7
107.08605	16.6
109.10173	8.4
111.08070	5.0
111.84555	1.0
115.05446	3.1
117.07020	16.9
119.08594	21.2
121.10162	8.2
123.11739	2.1
125.05988	4.6
128.06215	3.1
129.07018	12.5
130.07800	2.0
131.08566	17.8
133.06467	1.7
133.10127	12.6
135.04309	1.3
135.11736	7.1
137.05951	1.8
141.07004	8.0
142.07800	6.2
143.08589	13.9
144.09328	2.3
145.06509	1.2
145.10146	13.5
147.07985	1.5
147.11722	6.0
149.05975	1.5
149.13268	2.0
151.07489	1.3
155.08578	12.3
156.09325	2.0
157.10143	20.7
159.11707	23.8
161.06148	1.3
161.13271	24.0
163.07550	2.2
163.14813	2.6
165.07021	2.0
166.07869	1.5
167.08606	7.1
168.09302	1.9
169.10123	13.9
171.11734	9.3
171.97647	1.3
173.09851	1.2
173.13272	4.7
175.07536	1.4
175.11224	1.5
175.14903	2.2
177.09157	1.1
177.12808	1.6
178.07925	1.1
179.08542	3.0
180.09338	2.0
181.10156	11.5
182.10933	2.2
183.11703	12.6
184.12216	1.3
185.13283	26.4
187.07370	1.4
187.11179	1.5
187.14841	3.8
189.12790	1.9
193.10175	2.3
195.11708	12.2
196.12485	2.3
197.09688	1.6
197.11719	1.2
197.13277	7.3
199.07556	1.1
199.14850	4.1
201.09148	1.7
201.16364	2.2
203.10680	4.5
205.10333	1.3
205.12268	3.9
207.11755	6.2
207.13649	1.9
208.12447	1.5
209.13260	9.0
211.11209	1.7
211.14821	7.1
213.16357	2.7
215.10724	1.9
217.12215	1.2
221.13280	7.2
222.14110	1.3
223.14886	8.2
225.16429	8.5
227.10797	3.0
227.17931	2.1
229.12230	2.6
229.15965	1.4
231.13841	2.0
233.13281	2.3
234.13719	1.0
235.14816	5.2
236.15596	1.3
237.16367	8.6
237.18462	1.8
238.17195	1.6
239.17932	5.7
241.12309	2.9
241.19582	1.2
243.13852	2.3
249.12817	1.3
249.16484	7.0
251.17923	8.6
253.15860	1.3
253.19453	1.6
255.13820	3.3
257.15512	1.4
263.17938	8.1
265.19461	1.6
267.13770	1.7
269.15411	2.7
271.17007	2.1
277.19574	4.3
279.20926	1.4
281.15463	3.7
283.16895	5.2
285.18658	2.7
289.19464	1.2
291.17566	2.0
291.20844	1.5
293.22574	1.3
295.17004	4.4
297.18536	25.5
309.18497	10.1
319.21002	1.4
319.24243	37.6
320.24692	1.4
321.25748	2.6
323.20145	3.6
337.21622	1.9
337.25296	2.4
347.23761	4.3
365.24792	100.0
366.25146	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2479
Annotation	Quinestrol
Peak:m/z	Relative Intensity
50.70899	1.2
53.03938	2.0
55.05515	6.8
63.50957	1.1
64.08128	1.0
64.82964	1.0
65.03951	1.1
66.70123	1.2
67.05507	12.3
69.07076	11.4
70.19276	4.1
79.05496	17.9
81.07062	30.3
83.04991	1.2
83.08616	1.7
91.05493	18.3
93.07049	21.9
95.04980	2.7
95.08039	1.8
95.08615	19.6
96.20489	1.1
97.06514	1.1
105.07042	22.6
107.08611	14.3
109.10158	5.1
111.04379	1.5
115.05474	2.8
117.07022	12.2
119.08584	17.1
121.06556	1.3
121.10139	7.8
125.06037	1.6
128.06265	3.6
129.07025	13.2
131.04973	1.4
131.08568	15.1
133.10127	10.7
135.08086	1.3
135.11702	6.2
141.07019	8.0
142.07779	5.1
143.08582	17.8
145.10124	15.6
147.11668	3.9
149.13289	2.7
151.03961	1.6
153.07001	3.2
155.08580	10.3
156.09454	2.4
157.10143	12.1
159.11707	19.6
160.12070	1.4
161.09619	1.2
161.13303	9.7
163.14850	2.4
166.07835	1.8
167.08569	8.3
168.70349	1.2
169.10124	14.1
171.11705	11.5
173.06071	1.5
173.13295	4.3
175.07556	2.2
175.11238	2.1
175.14801	2.2
179.08531	2.4
180.09361	2.0
181.10091	9.7
182.10909	1.7
183.11690	11.1
185.05942	1.6
185.11601	2.3
185.13268	39.2
185.14857	2.5
187.07635	2.1
187.11194	1.5
187.14798	3.2
191.08868	1.2
191.10770	1.8
193.10176	3.6
194.11002	1.2
195.11699	9.6
196.12410	1.8
197.13281	7.8
199.14819	6.4
203.10709	3.4
205.12210	2.5
207.11739	5.0
208.12486	1.4
209.13284	10.3
211.14780	6.5
213.09111	2.7
213.12762	2.9
213.16432	1.4
215.10774	2.5
217.12303	1.3
221.13272	5.8
222.14063	1.2
223.14824	7.5
223.97995	1.4
225.16409	5.6
227.10590	1.7
229.12201	1.9
231.13983	2.1
235.14674	6.2
237.16414	6.7
239.10361	1.2
239.17995	3.7
241.12350	2.8
243.13834	2.9
249.16455	4.8
251.18021	12.7
253.12285	1.2
253.19658	1.5
255.13783	3.1
257.15463	1.9
261.16534	2.1
263.17938	10.3
267.13913	1.7
269.15439	3.6
271.16827	3.1
277.19641	3.8
279.21149	1.3
281.15332	3.3
283.16913	3.2
285.18472	3.9
290.38858	1.3
291.21066	1.9
295.16922	5.3
296.17810	2.2
297.18509	39.3
309.18521	9.5
319.20764	1.2
319.24200	28.3
321.25571	2.0
323.19901	2.2
337.21716	2.1
337.25308	2.2
347.23944	2.5
365.24771	100.0
366.25159	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	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55544	1.9
50.79855	1.9
53.03947	1.7
55.05500	5.2
67.05518	18.3
69.07069	10.4
70.62501	3.2
79.05494	21.2
81.07066	43.6
83.08626	2.3
84.74086	1.6
91.05493	30.6
93.07040	19.2
95.04969	2.9
95.08613	27.3
96.42902	1.8
103.05539	2.1
105.07040	71.8
107.08620	14.7
109.10138	6.0
111.04369	2.6
115.05460	4.0
116.37447	1.8
117.07027	33.7
117.34261	1.7
119.08591	89.1
121.06506	2.2
121.10150	10.1
123.11736	2.5
125.05985	4.2
128.06242	3.1
129.06956	8.8
130.07845	2.8
131.08578	27.7
133.10162	13.9
135.04440	3.4
135.11720	7.0
141.06999	3.9
142.07776	7.8
143.08614	10.9
144.08331	1.5
144.09323	11.6
145.10135	25.4
147.11696	9.0
149.05977	3.9
149.13248	3.5
153.07036	2.0
155.08577	6.6
156.09390	2.4
157.10139	30.5
159.11707	100.0
161.13274	48.5
163.07574	5.1
163.14815	5.7
165.06981	2.5
167.08539	3.5
169.10144	6.8
171.11716	7.7
173.13272	8.0
175.14809	9.6
180.09303	3.1
181.10085	6.1
183.11716	5.6
185.13191	4.6
187.11169	4.6
187.14839	3.3
193.10205	4.6
195.11716	9.0
197.13280	7.3
199.14821	5.5
203.10713	7.7
205.12260	49.0
205.14207	3.0
207.11755	3.5
207.13730	2.9
209.13278	4.9
211.14867	4.5
213.16365	3.2
215.18033	3.4
221.13255	3.4
223.14780	5.0
225.16460	4.9
231.13982	1.9
235.14778	5.8
237.16463	4.6
239.17863	3.0
241.12257	2.1
243.13959	2.0
249.16393	3.1
251.18065	2.2
261.57050	1.9
263.18036	4.8
265.19577	2.4
269.15335	2.1
277.19595	4.1
281.15356	2.4
309.18570	3.5
319.24255	29.2
321.25723	4.7
337.25421	4.6
365.20404	3.7
365.24762	58.3
366.24963	2.4
388.63513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05515	8.2
57.07067	1.5
65.03932	1.6
67.05505	20.7
69.06792	1.0
69.07083	12.6
69.70210	4.4
69.70621	3.1
71.04981	1.4
79.05501	26.3
81.07063	67.2
83.04980	1.6
83.08626	3.7
91.05488	30.3
93.07053	26.4
95.04970	2.9
95.08616	24.2
98.20751	2.4
103.05462	1.5
105.07040	57.0
106.07336	1.5
107.04999	1.4
107.08601	19.6
109.06525	1.6
109.10159	5.7
111.04425	3.0
115.05445	3.9
117.07032	30.6
119.04914	1.4
119.08598	29.1
121.10155	12.6
123.11741	3.3
125.05979	3.1
128.06233	4.1
129.07022	10.9
130.07793	1.2
131.08580	26.9
133.06491	1.8
133.10133	19.2
135.04417	2.7
135.08076	1.9
135.11726	6.1
137.05977	2.7
141.06989	5.6
142.07800	6.1
143.08572	17.3
144.09328	4.3
145.10132	18.6
147.08122	1.7
147.11703	8.2
149.06009	5.2
151.11183	1.4
153.07008	2.9
154.07770	1.6
155.08582	10.7
156.09218	1.4
157.08936	2.2
157.10150	27.8
158.10928	1.9
159.08032	1.6
159.11703	48.3
161.05991	2.7
161.13271	49.2
163.07530	3.9
163.14854	4.3
165.06978	2.7
166.07704	1.4
167.08551	6.8
168.09268	1.5
169.10132	10.4
170.10896	1.7
171.08102	1.8
171.11694	8.0
173.05951	2.2
173.13268	6.5
175.11154	1.5
178.07857	1.6
179.08571	3.5
181.10176	9.4
182.10948	2.3
183.08078	1.4
183.11711	9.1
185.13295	9.2
187.07631	1.8
187.11169	3.8
187.14879	3.4
189.09084	1.8
189.63147	1.2
192.09241	1.3
193.10172	5.4
195.11662	11.1
196.12569	1.8
197.13335	9.4
199.14766	6.4
201.09175	1.8
203.10670	11.3
205.10309	1.4
205.12221	24.3
206.10918	1.8
207.11737	4.8
209.13297	9.3
211.14798	6.8
213.12755	1.8
213.16368	4.0
221.13281	5.6
222.13747	1.4
223.14832	6.5
225.16467	8.1
226.86028	1.4
227.18011	1.5
229.12257	3.7
231.13789	4.9
235.14822	6.1
237.16426	11.2
238.17062	1.6
239.17976	5.0
241.12215	3.0
243.13907	3.6
245.15497	1.8
249.16307	6.3
251.17912	3.8
255.13847	4.2
257.15350	2.3
263.17896	8.5
269.15237	1.5
271.16974	4.4
277.19507	3.8
281.15500	1.4
283.16965	7.2
285.18610	1.5
291.21017	2.7
293.22629	1.8
295.16748	3.3
297.18588	2.8
309.18536	8.5
319.20511	2.8
319.24176	32.1
320.24588	1.6
321.25717	6.6
323.20038	2.6
337.21622	2.4
337.25345	4.3
347.23642	3.7
365.24786	100.0
366.25049	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91366	2.2
55.05507	7.6
65.03954	2.3
67.05505	24.2
69.07062	12.5
70.45896	2.1
70.60529	6.6
73.48689	2.0
79.05495	29.0
81.07058	58.1
84.32374	2.2
91.05486	43.4
93.07050	30.3
95.08611	24.4
96.66161	2.5
105.07034	74.5
107.08588	19.8
109.10146	8.6
111.04419	4.5
115.05462	5.1
116.81297	2.2
117.07019	44.3
119.08582	72.1
121.10152	10.8
123.11678	5.3
125.06018	3.1
129.07033	13.0
130.07748	4.7
131.08569	31.6
133.10124	26.3
135.04419	6.8
135.11717	7.8
141.07018	3.0
142.07751	7.6
143.08614	12.3
144.09344	10.0
145.06493	2.8
145.10109	21.3
147.11740	3.6
147.45874	2.2
149.05986	6.3
152.29013	2.3
155.08580	10.7
157.10129	28.8
159.11702	100.0
160.12047	3.3
161.05959	3.1
161.13264	89.1
163.07588	9.6
163.14833	5.9
165.07014	3.0
167.08600	4.0
169.10161	11.8
171.11716	7.7
173.13266	5.0
175.07570	3.4
175.14818	3.8
181.10120	7.3
183.11705	10.5
185.09613	2.5
185.13252	7.9
187.11188	6.1
187.14845	3.3
195.11650	11.4
196.78595	2.3
197.13176	11.0
199.14893	4.3
203.10751	10.7
205.12241	76.8
207.11760	3.4
207.13823	2.3
209.13228	7.2
211.14809	6.8
213.16420	3.8
223.14798	5.5
225.16426	3.8
229.12224	4.1
235.14874	5.4
237.16341	6.5
239.18010	3.0
241.12186	4.8
243.13876	5.0
249.16356	3.2
263.18005	5.3
265.19482	2.6
272.23431	2.7
277.19528	5.3
283.16986	3.1
319.24237	46.0
321.25912	4.6
337.25400	4.6
347.23907	6.5
365.24789	88.5
366.25275	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78029	2.2
53.03943	2.5
55.05507	5.4
65.03945	3.5
67.05509	23.1
69.07058	7.8
70.08631	2.0
70.45146	7.7
79.05502	24.6
81.07065	56.5
91.05487	46.1
92.04536	2.1
93.07048	31.1
95.04983	3.3
95.08610	25.5
103.05463	4.6
105.07039	89.0
106.34872	2.5
107.08603	18.0
109.10140	4.9
111.04428	5.0
114.80614	2.1
115.05459	5.2
117.07018	45.9
117.71677	2.3
119.08597	56.0
121.10176	11.1
123.11745	4.0
125.05975	2.7
128.06213	3.5
129.07011	13.1
130.07817	2.9
131.08572	31.1
133.10143	24.0
135.04443	5.5
135.11693	9.8
141.07021	6.0
142.07764	7.3
143.08597	11.0
144.09331	9.8
145.10155	19.7
147.08087	2.3
147.11699	10.8
149.05972	8.0
151.22949	2.5
154.07843	2.9
155.08571	6.1
156.09323	2.1
157.10109	24.7
159.11707	100.0
161.06017	3.9
161.13271	91.9
163.07541	5.4
163.14824	9.1
167.08560	3.5
169.10117	7.9
171.11682	7.7
173.13290	9.9
175.11256	2.6
179.08531	2.6
181.10121	8.5
183.11679	10.0
183.13446	2.3
185.13266	8.3
187.11197	8.2
187.14856	4.3
193.10139	5.3
195.11687	9.4
197.13286	7.8
199.14735	3.5
203.10652	14.0
205.12256	64.1
207.11598	2.7
209.13301	4.6
211.14848	7.2
218.94011	3.1
221.13214	4.3
223.14897	7.8
225.16379	2.5
229.12219	3.8
231.13815	3.1
235.14796	7.3
237.16412	6.0
239.17950	3.0
241.12225	2.9
243.13831	3.8
246.11636	2.7
249.16510	5.0
251.17784	4.0
263.17941	8.1
277.19501	2.8
281.15143	2.7
283.16220	2.4
291.17490	2.5
309.18692	4.8
319.24207	42.4
319.27606	4.4
320.24393	4.5
321.25787	5.5
323.19992	2.8
337.25253	8.1
347.23834	3.5
365.24783	85.0
366.25113	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.05512	7.2
65.03958	2.6
67.05505	24.3
69.07063	14.5
70.49431	5.2
77.03884	2.1
79.05495	31.0
79.46013	1.3
81.07059	60.7
83.08623	2.1
91.05486	42.4
93.07043	32.4
95.04958	1.6
95.08609	34.0
97.06514	1.5
97.10184	2.0
103.05444	2.5
105.07034	86.4
107.04980	1.7
107.08599	23.1
109.10165	6.0
111.04461	4.1
115.05482	3.5
115.32310	1.4
116.06231	1.7
117.06215	2.8
117.07023	44.1
119.08587	56.2
121.10138	11.2
123.11675	2.6
125.06017	5.4
128.06224	3.6
129.07008	11.4
129.92198	1.4
131.08575	39.1
133.10132	29.7
135.04391	6.9
135.11719	8.1
138.58371	1.5
141.06992	4.8
142.07780	7.8
143.08588	10.8
144.09314	8.4
145.06503	2.1
145.10127	16.9
147.08035	1.6
147.11714	8.3
149.05963	4.1
149.13229	3.4
155.08566	9.4
156.09369	2.3
157.10138	27.1
159.11700	100.0
160.12044	2.1
161.05978	2.1
161.13266	93.2
162.13631	1.6
163.07541	6.8
163.14789	9.8
165.07097	2.1
166.07785	1.6
167.08578	4.9
168.09308	3.0
169.10132	9.6
171.11681	10.2
173.13286	9.9
175.07483	2.0
175.14824	5.0
177.09123	1.6
177.12770	1.8
179.08557	2.1
180.09294	2.2
181.10126	6.4
182.10880	2.8
183.11688	8.9
185.13219	7.5
187.11201	6.3
187.14859	4.3
189.09073	1.8
193.10231	2.8
195.11674	10.2
197.13193	8.8
199.14856	3.8
203.10683	10.8
205.12242	51.0
206.12758	1.6
207.11722	4.1
209.13248	7.6
211.14777	5.3
213.16437	2.0
217.12263	2.2
219.13728	2.2
221.13303	4.4
222.14055	1.7
223.14778	8.1
225.16367	4.6
229.12354	1.8
229.22202	1.5
231.13841	4.0
232.15555	1.4
235.14911	4.6
237.16389	5.5
239.18015	4.1
243.13777	2.8
249.16454	4.8
251.17882	3.4
254.89467	1.6
263.17975	5.9
265.19626	2.0
277.19525	3.2
283.16901	1.7
295.17010	2.1
309.18668	2.9
319.24210	37.2
320.24612	2.5
321.25787	4.3
337.21454	1.8
337.25259	5.7
347.23654	3.4
365.24768	78.0
366.25287	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06731	0.5
56.45223	0.5
59.78508	0.5
61.53119	0.5
70.08876	2.2
75.11934	0.6
84.37368	0.5
97.52262	0.6
100.33137	0.6
136.86729	0.5
185.02875	0.5
185.04233	21.4
203.05292	49.7
204.05763	0.7
245.05209	1.2
259.66367	0.6
263.06345	0.6
365.10651	100.0
366.11188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.8
55.05508	6.5
65.03951	1.8
67.05517	12.8
69.07069	15.5
70.88732	2.2
70.89072	2.6
77.03916	2.0
79.05495	29.5
81.07061	40.2
83.04974	1.6
83.08617	4.1
85.96126	1.7
91.05486	15.5
91.71560	1.5
93.03400	1.9
93.07037	13.6
95.08609	15.7
97.06538	9.9
97.10179	4.9
98.11490	1.6
104.68485	1.8
105.07044	19.0
107.04991	4.2
107.08591	13.0
109.06504	2.9
109.10172	4.8
111.04446	8.7
117.07031	3.0
119.08592	24.9
121.10181	8.8
123.11694	3.0
125.06001	100.0
129.06996	2.7
131.08586	5.9
133.06544	2.1
133.10141	6.8
137.06012	9.4
137.13315	2.0
139.07556	9.1
141.07007	2.2
142.07799	11.5
143.08575	4.9
144.09357	5.3
145.10118	23.5
147.11781	4.1
149.13252	5.8
151.07498	3.8
155.08572	2.2
156.09381	3.0
157.10133	64.0
159.11702	38.4
161.13252	29.6
163.14832	21.3
167.08525	2.3
169.10146	17.9
171.11720	9.5
175.14883	8.3
177.09122	3.3
179.08688	2.2
179.14398	2.7
183.11687	5.6
189.12822	9.3
191.10646	3.1
191.14375	2.6
195.11665	9.8
197.13373	3.4
201.09023	2.1
205.12325	1.8
205.56680	1.6
207.13803	41.1
207.15727	2.5
209.13281	5.9
209.15358	4.5
211.14854	5.3
213.16550	2.1
221.13350	2.2
221.15506	2.1
223.14833	4.2
237.16443	3.8
241.12234	5.9
263.18021	4.9
295.16992	2.9
309.18628	2.7
319.24194	45.2
320.24609	2.9
333.38855	2.2
337.25269	2.7
347.23703	4.1
365.20370	3.4
365.24750	41.1
365.29468	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
53.21488	2.0
54.06030	1.6
55.05500	7.1
65.03938	2.1
67.05503	17.8
67.93980	1.6
69.07076	13.0
69.71999	7.2
75.21633	1.6
77.97148	1.7
79.05494	27.3
81.07060	61.8
83.08607	4.3
91.05486	43.0
93.07047	31.0
95.04979	3.3
95.08607	25.4
97.06553	2.6
103.05489	3.6
105.07036	85.3
107.08598	20.4
109.10148	4.5
111.04474	3.5
117.07021	41.3
119.08589	56.9
121.10155	9.2
123.11707	4.2
128.06165	4.1
129.07004	12.0
130.07820	2.7
131.08572	29.4
131.29362	1.8
133.10141	25.8
135.04454	4.2
135.11684	7.2
141.06972	4.7
142.07791	7.8
143.08571	11.8
144.09322	7.4
145.10162	14.9
145.40616	1.9
147.11682	5.5
149.05981	8.2
149.13222	2.1
155.08595	9.6
156.09354	2.0
157.10156	24.8
158.10994	1.9
159.11700	87.6
161.05962	2.0
161.13263	100.0
162.13634	2.9
163.07538	5.6
163.14854	5.9
167.08580	5.8
169.10120	8.1
171.11679	8.0
173.13260	3.9
177.12720	2.0
179.08525	2.4
180.09406	2.1
181.10106	6.3
183.11725	7.7
185.13257	6.5
187.11160	4.6
187.14833	3.4
192.52951	2.3
193.10126	3.6
195.11697	5.9
197.13229	8.7
199.14780	5.1
203.10703	7.2
205.12233	49.4
207.11861	2.9
209.13300	6.5
211.14873	4.8
213.16397	2.0
215.34648	1.7
221.13243	5.0
223.14839	5.2
225.16435	4.1
231.13930	2.4
235.14824	2.9
237.16345	3.9
237.89783	2.0
239.17996	2.4
241.12296	3.6
243.13847	2.1
249.16405	5.1
251.17957	2.3
263.17899	6.7
277.19751	2.0
283.17123	2.5
309.18652	4.2
319.24237	37.9
320.24576	2.7
321.25845	3.6
337.25241	3.5
347.23657	4.0
365.24774	64.2
366.24969	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.2
71.55389	1.2
78.04711	2.7
81.03418	1.7
81.07059	1.5
85.02910	6.2
90.32632	1.4
95.04935	1.3
97.02895	3.0
103.71026	1.2
106.04168	1.7
109.02921	1.5
109.06551	1.4
114.09111	1.3
123.04443	7.0
123.29344	1.3
124.05200	1.8
124.07595	3.8
126.09167	3.4
127.03923	1.8
128.07086	2.7
139.03943	2.9
151.03893	2.2
154.08543	1.3
155.07042	1.7
163.40091	1.3
167.07054	100.0
169.10313	1.2
176.34572	1.1
179.06877	1.4
216.60362	1.6
321.56625	1.3
336.82077	1.4
346.14908	4.6
364.13879	4.4
365.13425	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2119
Annotation	Consiculine
Peak:m/z	Relative Intensity
50.78074	0.5
52.00558	0.6
55.05514	0.9
60.37878	0.5
67.05492	1.5
68.05038	6.2
69.07070	1.3
69.34669	4.5
70.06599	9.6
79.05505	2.0
80.05026	4.8
81.07062	4.8
82.06573	4.1
84.08149	0.8
91.05508	3.3
93.07050	4.4
94.06557	0.6
95.04961	0.8
95.08612	1.3
98.06060	12.9
100.07621	42.1
105.07035	4.6
107.08598	1.6
107.96792	0.6
109.10216	0.9
114.05516	1.6
117.07004	1.5
119.08588	3.1
120.99682	0.5
121.06531	0.6
121.10131	0.6
126.05524	39.0
128.07085	77.5
129.59387	0.5
131.08594	1.6
133.10146	1.4
133.15289	0.6
135.11729	0.7
143.08600	1.9
145.10126	2.1
147.11604	0.6
150.05507	0.6
157.10149	0.7
159.11708	1.5
169.39130	0.5
187.14893	1.1
278.13959	2.2
300.19672	2.5
302.17981	0.7
302.21228	1.1
318.20688	1.6
346.20139	100.0
347.20566	2.9
364.12720	0.6
364.21298	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	364.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01873	1.5
55.05270	1.7
55.05518	26.8
57.03443	1.7
57.07070	1.9
59.04996	0.9
60.08168	4.7
65.03939	4.0
67.05509	63.4
67.98710	0.8
68.05843	1.3
69.07076	25.4
69.71238	3.5
69.71650	2.0
70.07413	1.3
71.04993	2.4
73.02906	2.9
73.06579	0.8
76.36048	0.8
79.05501	43.4
81.07065	49.1
82.07394	0.9
83.04987	2.0
83.08621	7.7
85.06545	1.7
86.09707	2.0
87.75420	0.9
91.04991	0.6
91.05485	18.1
93.07053	42.0
95.04977	3.3
95.08617	39.0
97.06546	1.1
97.10177	3.8
98.20754	1.6
99.04459	3.6
99.08095	1.4
101.43138	0.8
105.04520	1.1
105.07040	11.4
107.08608	24.1
108.17505	0.8
109.06548	1.7
109.10162	12.8
111.08102	0.8
117.07026	2.8
119.08599	8.8
121.10153	14.6
123.08078	1.9
123.11711	3.0
127.07613	0.9
129.07033	1.2
131.08627	4.1
133.10164	4.6
135.08005	0.9
135.11700	7.5
143.08578	1.6
145.10139	3.1
147.11705	2.9
149.13274	4.2
155.08661	1.0
157.10091	2.0
159.11717	4.9
160.12039	1.0
161.13301	2.3
163.14868	2.6
169.10098	1.2
171.11749	1.5
173.13248	1.0
175.14859	1.1
197.98106	0.9
199.66016	0.8
305.24780	87.5
306.25116	3.3
364.23410	2.9
364.32120	100.0
365.24847	2.2
365.32471	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.7
53.03944	2.7
55.01869	2.6
55.05513	9.2
58.59824	1.6
61.34303	1.8
63.20310	1.8
67.05508	19.5
69.07068	11.5
70.06562	1.8
70.14890	2.5
70.15241	5.5
79.05490	21.8
79.83142	1.9
81.06651	2.3
81.07068	31.9
83.08625	4.6
85.06508	2.0
91.04919	1.5
91.05483	36.3
93.07049	33.9
95.04978	3.5
95.08626	21.8
97.06544	4.8
97.10191	2.3
103.05484	2.5
105.07039	46.6
107.04978	2.2
107.08587	18.0
109.06521	3.9
109.10145	7.9
111.04419	5.2
111.08089	5.7
115.05477	4.8
117.07034	29.7
118.47124	1.8
119.08597	48.1
121.06494	4.4
121.10190	12.1
123.08096	2.0
123.11713	5.0
125.05964	5.6
128.06207	3.8
129.06998	13.5
130.07828	3.1
131.08588	22.8
133.06493	3.0
133.10141	18.8
135.04388	2.6
135.08031	4.0
135.11728	13.1
137.05969	5.5
141.06992	5.5
142.07826	9.0
142.76706	1.8
143.08592	13.0
144.09398	11.9
145.06497	2.6
145.10133	23.0
147.08070	3.0
147.11649	9.7
149.05984	4.2
149.09668	2.3
149.13268	2.1
151.07549	3.9
153.06970	2.9
154.07741	2.2
155.08557	10.3
156.09398	2.6
157.10123	34.2
159.08014	2.8
159.11711	100.0
160.03882	3.2
160.12112	2.0
161.06131	1.8
161.09695	2.5
161.13266	33.1
163.07460	2.3
165.07063	3.2
166.07877	2.2
167.08591	6.8
168.09344	3.3
169.10126	25.8
171.11678	12.1
173.09567	3.1
173.13258	6.0
174.03949	2.0
175.07513	2.5
175.11200	3.1
177.12766	2.2
179.08620	5.2
180.09311	4.4
181.10173	9.6
183.11732	11.9
185.09644	3.7
185.13254	7.3
187.11232	3.6
189.12804	10.9
192.09357	3.6
193.10132	9.2
195.11751	10.9
197.13301	7.6
199.14841	5.0
202.55989	2.2
203.10699	5.7
203.14359	2.3
205.12247	26.1
206.10947	4.9
207.11710	6.8
207.13809	8.8
209.13258	7.7
211.11211	5.3
211.14854	5.3
218.10782	2.4
219.11705	5.8
220.12404	3.2
221.13263	10.0
223.14847	3.3
225.16237	2.2
231.11783	2.9
233.13269	4.1
235.14748	4.9
235.16951	4.7
237.14783	4.7
239.10628	8.8
241.12312	4.2
245.15508	2.1
247.14821	5.1
249.16425	3.9
253.18031	2.2
257.13013	2.1
261.16437	5.6
275.17923	4.0
289.19601	5.0
291.21066	2.9
301.29269	2.5
307.16840	4.2
317.18988	4.0
317.22623	47.4
318.22855	3.2
319.24277	4.7
327.23257	2.3
335.23611	5.5
345.21622	2.4
363.23193	74.8
363.32700	3.0
364.23383	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05520	9.3
55.94672	1.8
57.07074	1.8
60.65509	1.9
61.06791	1.6
65.51961	1.7
67.05510	16.8
69.03417	1.9
69.07069	16.6
70.06606	1.9
71.04990	2.8
72.08143	2.4
74.09740	2.1
77.03908	1.8
79.05122	2.1
79.05502	22.9
81.07061	30.2
83.04973	2.8
83.08624	3.3
88.88291	1.7
91.05490	30.1
93.07053	26.0
95.04977	4.2
95.08138	2.0
95.08624	19.3
97.06542	3.2
97.10184	2.2
102.01118	1.6
103.05473	1.8
105.07034	37.9
107.04923	2.1
107.08583	17.6
109.06500	2.6
109.10178	9.9
111.04448	6.4
111.08132	2.8
115.05461	3.2
117.07028	35.2
119.07803	2.7
119.08595	40.0
119.09442	2.1
121.06500	2.5
121.10152	10.8
123.11716	2.7
125.05994	14.9
128.06219	5.9
129.07025	16.9
130.07816	3.7
131.08578	26.7
133.06497	2.4
133.10123	15.4
135.04401	3.0
135.08060	3.7
135.11682	10.3
137.05972	6.1
139.07541	3.7
141.07001	6.1
142.07788	11.6
143.08600	12.9
144.09344	16.9
145.06401	2.0
145.10144	26.3
147.11696	11.0
149.05992	4.3
149.13240	2.9
151.07506	3.3
153.06918	2.6
154.07748	2.8
155.08582	14.1
156.09369	4.0
157.10155	35.3
159.11707	99.1
161.13266	24.7
163.07596	3.4
166.07718	2.6
167.07193	2.6
167.08496	8.1
168.09270	4.4
169.10127	32.4
171.11729	13.3
173.13239	5.1
175.11299	1.8
177.12706	1.9
179.08540	7.0
180.09360	3.9
181.10103	9.2
183.08061	2.9
183.11671	11.4
185.13257	4.0
187.11148	4.0
189.12779	9.1
191.08638	2.4
192.09413	4.5
193.10155	10.8
194.10860	4.0
195.11731	15.2
197.13351	7.9
199.14696	1.9
203.10669	2.7
205.10130	5.1
205.12260	21.0
206.10954	5.5
207.11716	17.2
207.13800	6.6
209.13315	13.0
211.11226	5.1
211.14842	5.2
213.12820	2.2
219.11722	11.7
219.13651	2.8
220.12479	3.0
221.13306	14.3
223.14774	6.6
225.12576	1.7
229.12201	2.6
231.11728	3.1
232.12436	4.9
233.13275	9.5
234.14052	3.0
235.14896	9.9
237.16393	3.8
239.10678	5.8
241.12221	3.7
245.13361	2.7
246.14043	2.7
247.14920	9.6
249.16368	6.0
257.26855	2.0
259.14935	2.2
261.16385	15.3
265.12399	1.8
269.15393	3.0
275.18008	7.5
279.13831	2.3
289.19510	4.0
293.15378	2.3
301.29306	5.3
307.16809	7.9
317.22659	57.7
318.23111	2.5
319.24066	3.8
321.18555	2.0
328.62567	1.7
335.23682	5.8
345.22086	5.6
363.23193	100.0
363.32901	17.6
364.23245	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1963
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
57.34626	0.4
67.04244	0.4
67.05474	1.1
69.07080	0.6
70.06595	17.3
70.97809	1.0
70.98151	0.5
81.07047	1.6
82.06584	15.8
84.08138	3.7
91.05474	2.2
93.07042	1.7
95.04982	3.3
95.08601	1.9
100.07619	55.8
105.07023	2.3
107.08593	1.7
109.05868	0.4
109.06512	2.3
116.07101	0.9
117.07049	0.5
119.08568	2.5
121.06525	1.5
123.08115	0.8
128.07082	100.0
129.07146	0.6
131.08556	1.2
133.06474	0.5
135.08041	2.5
142.07828	0.9
143.08568	0.8
145.10120	1.1
147.08025	0.8
157.10149	1.4
159.11749	0.7
160.08827	1.0
167.07097	1.0
171.71115	0.4
173.13193	0.6
175.11209	1.3
203.14265	0.7
220.52594	0.5
316.19073	41.8
317.19415	0.8
362.19626	84.5
363.20038	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01846	1.0
56.48137	1.0
56.96566	6.7
57.03443	2.5
61.02914	1.7
67.05512	1.6
69.03439	6.2
69.07048	1.2
70.06580	2.2
70.27570	4.4
70.99855	1.0
71.05006	1.8
72.08148	1.8
73.02919	5.3
74.06078	1.0
81.03427	3.7
84.04523	1.8
84.08149	3.4
84.96039	1.4
85.02916	10.3
85.97860	1.0
86.09710	1.7
86.99366	0.9
91.03915	1.0
91.05476	2.3
97.02882	5.2
98.97594	95.8
100.58026	1.0
101.00890	4.0
109.02885	1.9
110.07184	1.5
110.97573	2.4
113.00865	2.1
115.02449	2.2
116.98634	51.8
119.01934	10.8
127.02419	1.4
127.03934	2.6
128.98630	2.7
131.01938	8.9
133.03539	7.6
134.99678	17.7
136.03877	1.1
137.02933	1.2
137.06003	1.3
139.03897	3.3
140.00204	1.7
140.07065	1.1
143.01898	5.5
145.03499	9.5
145.04924	1.7
146.06094	1.3
146.99651	1.8
147.01321	1.5
149.02965	1.5
153.00691	1.4
155.01918	9.8
157.03496	11.0
158.99670	50.3
159.05052	1.9
161.02975	7.4
163.04565	1.4
164.07036	1.3
167.01895	2.6
167.07085	3.4
169.03445	2.9
171.05070	2.7
173.03003	15.6
175.04541	9.5
177.00723	58.1
178.08565	1.2
181.03589	1.1
183.04997	1.9
185.02979	7.0
186.54085	1.1
187.04584	3.8
189.00774	1.1
189.06131	2.1
191.02252	2.1
195.01781	3.1
197.02971	3.4
199.04572	2.8
200.02391	3.8
200.05461	1.0
201.00693	1.1
201.04364	1.9
201.06131	2.2
201.10280	6.2
203.04091	3.1
215.04002	1.8
217.05620	1.1
219.01782	38.1
221.05141	2.4
227.04086	2.0
233.05011	1.7
237.02754	5.7
243.05388	2.8
245.05119	1.8
249.08221	2.7
257.05075	1.7
267.09390	2.4
269.05234	1.1
273.08221	4.6
291.09363	8.1
303.07529	9.5
303.09464	4.4
305.10825	6.7
315.09061	1.4
317.12048	1.3
321.08536	16.6
327.09320	1.8
345.10645	4.0
363.12634	100.0
364.12775	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34626	0.4
67.04244	0.4
67.05474	1.1
69.07080	0.6
70.06595	17.3
70.97809	1.0
70.98151	0.5
81.07047	1.6
82.06584	15.8
84.08138	3.7
91.05474	2.2
93.07042	1.7
95.04982	3.3
95.08601	1.9
100.07619	55.8
105.07023	2.3
107.08593	1.7
109.05868	0.4
109.06512	2.3
116.07101	0.9
117.07049	0.5
119.08568	2.5
121.06525	1.5
123.08115	0.8
128.07082	100.0
129.07146	0.6
131.08556	1.2
133.06474	0.5
135.08041	2.5
142.07828	0.9
143.08568	0.8
145.10120	1.1
147.08025	0.8
157.10149	1.4
159.11749	0.7
160.08827	1.0
167.07097	1.0
171.71115	0.4
173.13193	0.6
175.11209	1.3
203.14265	0.7
220.52594	0.5
316.19073	41.8
317.19415	0.8
362.19626	84.5
363.20038	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32157	0.6
55.01876	1.3
56.96571	0.9
57.03436	1.2
61.02922	1.3
62.01054	0.6
67.05472	1.3
69.03148	0.5
69.03443	6.2
69.07041	0.9
70.06593	6.7
70.91722	1.3
71.04997	1.0
72.08132	1.1
74.06054	0.8
81.03418	2.6
81.07040	0.7
84.04494	1.5
84.08162	1.2
85.02916	14.0
86.09716	6.7
88.04028	0.9
91.03981	0.9
91.05489	2.2
93.07030	1.5
94.06582	5.5
95.04979	1.6
97.02912	4.7
98.97598	1.6
102.05565	0.9
108.08117	5.4
109.02875	2.7
109.06543	0.9
110.06047	2.5
112.03954	2.4
112.07624	4.9
118.85858	0.6
119.04950	0.8
120.08108	0.8
122.06050	18.4
123.04468	1.7
127.03934	3.4
135.81999	0.7
136.06531	0.8
136.07585	15.4
136.08479	0.5
137.05991	1.9
138.09171	1.6
139.03934	1.7
139.07524	1.5
140.03436	5.4
140.07077	26.0
145.04999	1.3
151.07579	1.2
154.08640	13.1
158.08215	0.8
164.07111	3.7
168.27625	0.7
169.61748	0.7
182.06612	1.3
182.08156	20.1
182.09760	1.0
184.08443	1.0
187.14441	1.5
200.09206	100.0
201.09596	1.8
201.12379	2.8
204.10182	2.3
208.08411	2.0
215.14043	1.0
219.01822	0.8
235.07529	0.8
236.07852	1.5
240.07378	1.7
253.10674	2.3
282.08463	1.8
285.07669	1.0
298.12683	0.9
299.11191	1.6
306.99030	0.7
308.07629	1.0
344.13141	2.0
362.07748	0.6
362.13150	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.6
53.11976	2.8
53.43221	2.9
55.05502	10.4
56.73482	2.4
57.07075	4.1
67.05505	25.0
69.03430	3.6
69.07064	10.6
71.08617	10.9
71.58422	2.9
79.05490	20.3
81.07061	26.7
83.08606	4.9
85.02908	3.4
91.05474	19.1
93.07043	42.7
95.04947	12.3
95.08608	24.9
97.06538	8.4
97.10179	3.4
99.08081	8.1
105.07018	21.3
107.08575	19.0
109.06528	5.0
109.10144	13.6
117.07012	6.4
119.08549	15.0
121.06491	4.5
121.10140	23.1
123.08115	3.9
129.01845	6.2
129.07066	6.0
131.08580	16.9
133.10092	13.4
135.08076	3.8
135.11691	13.1
137.09584	6.5
143.08524	5.1
145.06383	3.4
145.10144	6.9
147.11694	10.9
149.09673	4.0
149.13205	3.3
151.11169	4.5
155.10701	5.8
157.10149	5.9
159.08032	4.5
159.11720	11.9
160.08842	10.7
161.09586	6.8
163.14824	4.3
167.08606	3.7
169.10179	4.7
171.11693	4.5
173.09613	8.6
173.13206	4.5
175.11104	3.3
181.10103	3.5
182.10986	3.4
183.11679	4.0
185.09662	2.8
185.13290	4.1
187.11139	6.4
187.14763	7.4
205.15778	4.1
211.14894	4.9
229.15868	100.0
295.43167	3.5
309.40390	3.1
312.97217	3.6
325.25397	4.3
343.22864	3.8
343.26425	29.0
343.30106	5.7
361.21454	11.4
361.25308	3.8
361.31244	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	361.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94972	3.0
53.03941	3.3
55.01870	4.7
55.05518	3.5
55.70871	2.3
67.05515	7.9
67.55996	2.3
69.03418	5.0
71.55704	3.9
78.04733	3.5
79.05499	22.2
81.03410	4.4
81.07079	4.1
91.05486	31.8
93.07049	14.1
94.57513	2.5
94.96622	2.3
95.04970	12.7
95.08586	4.5
103.05470	14.8
105.03400	2.7
105.07037	18.8
107.04961	42.9
107.08616	3.3
109.06562	4.1
111.04430	3.9
115.05447	5.5
117.07021	8.0
119.04946	8.4
119.08580	5.1
121.06516	29.5
122.03617	3.0
123.04440	8.2
123.08097	3.9
124.05193	7.3
125.05966	3.5
128.06226	12.1
129.07014	33.9
131.04947	9.5
131.08578	16.5
133.02852	4.3
133.06496	7.6
135.04460	5.7
135.08057	7.9
137.05989	20.1
139.07570	3.9
141.07031	4.2
143.08575	2.9
145.06506	6.8
146.03638	3.1
147.04437	5.9
147.08060	3.9
148.05219	3.7
149.05984	10.8
150.06743	2.9
151.03928	3.9
151.07573	22.5
152.04712	7.4
153.05482	17.1
153.06927	4.1
155.07066	3.3
157.06532	23.1
159.08063	4.9
161.06009	38.2
161.09633	10.9
163.07549	22.8
165.05605	5.2
165.06982	9.9
165.09128	9.2
166.06284	14.4
166.07669	5.9
167.07066	94.7
167.08522	6.9
174.06792	17.4
175.07510	7.9
177.07008	3.9
177.09154	8.2
178.07741	5.7
179.07063	6.7
179.08598	8.0
181.05048	4.9
181.06561	7.8
181.08604	100.0
181.10211	5.4
182.07260	10.4
183.08086	5.1
187.07574	4.3
189.09120	78.3
190.07800	4.7
191.07059	3.6
191.08643	6.4
191.10663	4.5
193.06520	5.8
194.07297	6.1
195.08122	12.4
195.10019	2.6
197.06041	3.7
197.09660	11.3
199.07617	4.1
203.06914	3.1
205.06557	3.1
207.06436	5.5
207.08250	6.0
207.10210	11.0
208.08905	5.7
210.06708	5.3
211.07585	6.8
219.08113	8.2
221.05957	6.6
222.06705	4.8
223.07571	11.3
223.11115	5.7
224.08287	5.0
225.09122	24.0
227.07089	6.3
229.12230	4.3
235.07487	5.5
236.08305	3.4
237.05385	4.8
237.09123	5.2
238.09688	3.2
239.07039	6.7
239.10832	3.1
240.07838	2.9
241.08600	6.1
242.09285	4.5
243.10437	2.5
251.07088	6.4
251.10706	11.1
253.08707	15.1
255.06537	6.2
255.10149	7.4
257.11731	22.9
259.09653	4.4
267.10300	4.9
268.07394	2.9
268.10800	2.5
269.08173	4.9
270.08951	4.4
271.13318	4.7
279.10150	6.7
281.08063	4.4
281.11368	3.1
283.09702	15.9
283.13278	7.4
285.11197	37.6
297.11157	3.1
299.09344	4.1
299.12643	6.1
302.11481	4.5
311.12808	10.7
315.12296	18.9
317.13806	19.6
331.15424	5.3
343.15344	13.3
361.16650	27.7
361.20557	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	361.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01876	6.0
55.05508	4.5
59.18769	3.1
65.03931	5.3
69.05346	2.5
70.34169	7.9
75.90461	2.4
79.05480	17.2
79.66650	2.4
81.03438	3.6
81.07046	8.1
81.95804	2.5
83.04958	4.2
85.02884	2.8
91.05483	44.0
92.05794	2.7
93.07053	18.7
95.04990	14.8
95.08603	5.6
103.05496	18.8
105.07036	16.2
106.04173	3.7
107.04956	42.3
107.08584	4.7
109.02834	3.4
109.06535	3.0
111.04447	3.9
112.35323	2.5
115.05453	7.1
117.07032	8.2
119.04936	11.1
119.08561	4.3
120.23051	3.1
121.06512	26.6
121.10095	2.8
122.03650	3.3
123.04433	11.0
123.08079	2.4
124.05222	5.5
128.06242	12.1
129.07021	34.0
131.04956	14.5
131.08591	18.0
133.02820	6.5
133.06516	6.3
133.10164	2.9
135.04436	4.4
135.08058	11.7
137.06006	22.9
145.06491	5.3
145.10097	3.6
146.07207	4.9
147.04393	12.1
147.08040	3.0
148.05165	5.4
149.05983	8.8
151.03911	5.9
151.07561	21.8
152.04669	5.1
153.05490	18.4
153.06757	3.2
157.06476	20.3
159.04323	2.5
159.08081	4.4
161.05989	55.8
161.09621	16.8
163.07584	26.2
165.05623	4.5
165.07004	11.6
165.09145	7.8
166.06281	9.6
167.07076	88.3
167.08553	8.5
174.06725	11.6
175.03853	6.0
175.07541	10.2
176.04251	6.2
177.07027	3.7
177.09102	11.2
178.07811	3.0
179.07117	5.4
179.08572	9.3
179.52776	2.4
180.07690	3.4
181.05122	5.4
181.06575	5.7
181.08626	100.0
181.10222	5.6
182.07248	9.8
183.08113	2.8
189.09140	90.4
190.07767	3.0
191.08691	3.3
191.10692	4.4
193.06366	5.3
194.07260	3.9
195.08035	15.3
195.10121	7.3
197.09679	10.4
198.36696	2.6
199.07507	3.8
205.06403	3.4
207.06503	9.3
207.08131	7.5
207.10046	22.8
208.06908	10.0
208.08752	5.8
209.05978	4.0
210.06772	7.0
211.07587	4.4
212.08269	4.3
216.12100	3.0
219.08051	6.2
221.05981	7.6
222.06879	3.4
223.07521	9.4
223.11223	6.6
224.08360	4.2
225.09103	17.3
227.07068	8.3
235.07590	4.1
236.08336	6.2
237.09090	8.7
238.06491	3.1
239.07021	5.9
239.10710	2.9
240.07785	4.6
242.09389	3.1
251.06909	3.1
251.10748	5.4
253.08621	14.6
255.06493	6.7
255.10153	6.0
257.11783	16.6
267.10257	4.9
268.07364	3.5
270.08716	5.4
271.13235	5.0
279.10199	4.2
283.09671	15.1
283.13242	7.5
285.07886	4.7
285.11179	37.2
297.11246	5.6
299.09274	3.1
299.12796	5.1
302.11499	5.3
311.12692	9.9
315.12341	20.8
317.13876	19.0
329.13840	5.5
331.15359	2.8
343.15326	13.5
361.17062	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01865	3.5
60.31487	2.1
65.03934	2.0
69.03413	2.3
69.07078	2.2
70.04787	8.4
70.05198	4.0
71.04974	1.7
76.67461	1.8
79.05500	17.2
81.07039	3.4
81.43439	2.0
88.24474	2.1
91.04971	2.5
91.05487	32.5
93.07066	14.7
95.05001	9.7
98.21468	3.0
103.05482	15.0
105.07047	14.5
106.04137	2.4
107.04276	3.5
107.04960	36.0
111.04507	2.3
115.05458	5.9
117.07021	6.4
119.04945	8.3
119.08588	2.4
120.05734	4.3
121.06520	24.1
122.03628	3.3
123.04427	11.9
123.08048	3.0
124.05200	5.6
125.06007	4.2
128.06245	12.7
129.07007	29.2
131.04924	11.0
131.08603	13.5
133.06485	6.5
134.03650	2.3
135.04346	3.0
135.08058	7.3
136.05206	2.8
137.05998	19.5
137.70795	2.1
138.03130	2.5
140.04707	2.9
141.06963	2.9
143.04878	2.0
144.05681	2.6
145.06450	6.0
145.70638	2.4
146.07330	3.3
147.04411	6.7
147.08041	3.7
148.05190	4.5
149.05988	6.1
151.03932	5.5
151.07558	24.4
152.04723	4.3
152.06123	2.3
153.05463	13.5
153.06770	3.5
155.07198	2.6
157.06494	24.7
159.08064	4.1
161.05975	42.3
161.09639	10.1
162.06566	2.6
163.07550	23.1
165.05637	4.2
165.06998	11.9
165.09149	6.9
166.06248	10.0
166.07651	5.1
167.07076	81.1
167.08562	8.5
169.06540	3.2
171.08015	4.2
173.05898	2.2
174.06773	11.8
175.07610	10.3
177.05449	3.1
177.06926	3.2
177.09103	10.5
178.07773	3.5
179.07085	4.8
179.08577	7.8
179.10623	1.8
181.08615	100.0
182.07260	8.3
182.08839	2.5
183.08044	3.2
189.07362	4.2
189.09125	82.4
191.08557	7.3
191.10530	3.6
193.06491	5.2
194.07281	3.2
195.08110	13.3
195.09717	2.5
197.05991	4.3
197.09666	9.2
199.07571	5.8
203.10666	2.6
207.08055	6.6
207.10175	16.4
208.05080	2.2
208.08832	7.0
210.06760	8.0
211.07547	5.6
213.09052	2.3
218.07355	2.8
219.08061	6.5
219.10115	3.0
220.08965	2.4
221.05972	5.8
222.06741	4.7
223.07581	10.2
223.11244	4.5
224.08327	2.9
225.05569	3.3
225.09111	16.4
227.06998	7.1
229.12247	3.9
235.07622	5.6
237.09222	5.6
239.07021	5.7
239.10695	3.4
240.07831	6.2
241.08553	3.3
242.09338	3.0
247.07538	2.6
251.06911	4.5
251.10684	7.1
253.08626	15.9
255.06525	6.0
255.10179	6.4
257.11685	17.3
265.08591	4.6
267.06387	2.5
267.10147	4.7
269.08127	3.5
270.08905	5.9
271.13293	4.3
279.10092	5.4
283.09622	16.2
283.13263	10.5
285.07941	4.5
285.11185	36.0
296.10440	2.6
297.11172	5.0
299.09406	2.5
299.12613	4.9
300.09833	2.4
302.11487	4.3
311.12814	9.0
314.00824	2.1
314.11462	2.4
315.12256	20.9
317.13773	24.2
329.13879	3.0
343.15381	10.9
361.16708	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	361.1494
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.05513	4.8
63.48754	3.0
65.43240	3.7
65.89751	3.0
69.03413	4.2
70.06601	5.7
70.94807	7.1
70.95160	5.3
73.06551	5.6
74.67486	2.9
79.05482	9.0
81.03403	12.7
81.07082	3.5
84.28760	2.9
85.02907	8.9
86.09693	6.3
91.05487	9.5
93.07031	15.1
97.06528	2.9
99.04488	3.0
101.06030	7.7
111.08049	3.8
116.07121	3.2
121.06518	26.1
123.08062	7.4
127.03928	6.4
130.13173	3.1
137.05989	45.4
139.07520	16.2
141.33461	3.2
149.06010	7.9
151.07571	9.5
156.25998	3.2
163.04013	5.1
165.09116	13.3
167.07062	100.0
175.07585	3.7
181.08664	6.5
185.08162	3.3
199.09665	24.7
205.06677	3.3
205.08730	4.4
217.11105	4.6
232.13339	4.2
361.14185	11.3
361.18433	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	2.0
53.03954	3.2
55.01869	3.7
65.03940	2.1
67.05506	3.8
69.03425	3.3
71.20705	5.1
77.20611	1.9
79.05494	13.1
81.03470	1.9
81.07031	4.9
82.99944	1.8
83.04952	2.7
91.05482	28.2
93.07027	11.6
94.04173	2.9
95.04970	10.5
95.08600	3.5
103.05473	16.8
105.07047	17.6
107.04958	44.5
107.08620	3.6
109.06543	3.0
109.10127	2.6
115.05431	4.1
117.07031	5.9
119.04973	10.1
119.08582	4.8
120.05727	4.7
121.06519	21.8
123.04425	10.8
124.05260	4.7
125.06011	4.1
128.06201	12.7
129.07016	33.1
131.04959	14.0
131.08585	18.8
133.02884	2.6
133.06477	4.2
135.04451	4.0
135.08031	7.5
136.05205	4.6
137.05977	20.2
140.04642	2.8
143.04855	2.6
144.05670	3.4
145.06523	6.5
145.10229	2.3
146.03651	4.2
146.07233	2.5
147.04419	4.2
147.08025	4.2
148.05200	6.5
149.02431	2.5
149.05965	7.2
151.03958	3.3
151.07541	23.0
152.04697	4.5
152.06166	2.5
153.05466	14.7
153.07008	2.7
157.06506	22.9
159.08044	3.0
161.05983	64.6
161.09604	20.2
163.07538	24.4
165.07056	11.6
165.09138	8.4
166.06276	14.0
166.07693	3.6
167.07060	70.4
167.08557	5.1
169.10156	2.1
173.05957	2.7
174.06744	14.9
175.07553	9.4
175.14812	3.5
177.07155	2.0
177.09067	11.1
179.07025	6.0
179.08641	6.0
180.09358	2.8
181.05125	3.8
181.08611	100.0
182.07289	7.5
183.08025	4.7
187.07550	3.8
189.09120	94.3
190.07829	4.2
191.08598	6.3
191.10591	2.6
193.06479	6.6
193.08450	2.9
194.07303	7.1
195.08076	10.3
197.05962	5.0
197.09657	9.8
200.08197	1.8
207.08107	5.7
207.10139	29.6
208.08804	5.7
209.06007	2.5
209.09645	4.7
210.06824	8.1
211.07556	7.5
212.08360	3.0
213.09200	2.5
219.08101	6.8
221.06039	5.3
221.09523	2.2
222.06587	3.6
223.07588	13.7
223.11143	2.9
224.08365	4.5
225.05565	3.3
225.09129	17.6
227.07079	7.3
229.12350	3.0
235.07664	6.0
236.08307	6.0
237.05530	2.5
237.09111	5.1
238.06190	2.2
239.07025	5.8
240.07861	6.2
241.08611	5.2
242.09315	4.7
247.07536	3.5
251.07076	6.2
251.10713	7.8
253.08638	19.0
255.06447	4.1
255.10262	6.9
257.08334	2.6
257.08914	2.8
257.11768	17.2
264.07822	3.1
265.08508	3.2
267.06705	2.9
267.10068	3.0
268.07410	4.4
269.07996	4.9
270.08929	4.8
271.13388	3.0
279.10187	9.4
281.08188	2.6
283.10110	11.9
283.13281	10.7
284.10471	2.5
285.08002	4.5
285.11188	37.4
296.10544	3.2
297.11322	5.5
299.09183	3.4
299.12488	3.5
300.09830	3.1
302.11365	6.3
311.12885	11.5
311.15778	2.2
312.39029	2.1
315.12271	21.9
315.15637	3.9
317.13800	20.9
322.17963	2.1
329.14072	2.2
331.15268	4.5
343.15469	11.3
361.16531	17.6
361.20389	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	361.1495
Annotation	Cachineside I
Peak:m/z	Relative Intensity
54.59904	1.0
55.01882	1.1
69.03426	1.4
70.06580	2.0
71.55104	1.2
72.08159	1.1
72.16208	1.0
73.06552	1.3
77.32299	0.9
78.64090	1.0
79.05485	1.8
81.03430	10.7
85.02914	5.1
86.09698	1.8
93.07045	1.1
94.04180	1.1
95.95451	1.1
97.02908	3.7
99.04444	1.4
101.05987	1.5
107.04941	1.1
111.04421	1.5
115.89095	1.1
116.07099	1.2
117.07050	1.5
119.04955	1.1
121.06496	1.4
122.03651	4.1
127.03916	1.4
129.07016	1.8
131.04939	1.6
137.05991	100.0
138.06305	1.4
145.04953	1.2
145.06477	2.3
147.04431	2.1
149.05983	1.0
151.07553	9.1
160.05122	1.9
161.05975	1.3
163.07547	3.5
167.07069	4.3
175.07571	5.7
177.09148	2.1
179.07050	2.0
181.08621	5.4
187.07573	1.9
191.07109	2.4
193.08606	1.1
203.07069	1.6
209.08084	2.2
229.08720	1.0
243.10088	1.0
253.07423	1.0
260.47064	1.0
350.35587	0.9
361.14240	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	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.7
55.83342	3.4
57.03446	12.8
61.02926	5.2
69.03435	41.4
70.06602	5.0
70.24529	10.3
70.24930	6.2
72.08154	3.9
73.02916	6.0
81.03460	3.7
85.02911	100.0
97.02909	36.0
99.04447	10.9
101.02378	6.0
109.02860	4.5
117.04003	4.6
127.03927	72.3
129.06116	3.7
138.05508	11.1
145.03661	7.3
145.04958	76.0
156.97449	5.6
163.06004	17.8
198.98558	16.6
234.93134	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79350	9.0
55.01850	10.4
55.05514	44.8
67.05514	81.0
69.03411	10.6
69.07056	26.9
71.04996	79.8
73.06525	10.4
79.05109	11.1
79.05499	100.0
81.07053	57.9
83.04984	14.5
83.08602	21.3
87.25642	8.5
91.05475	38.9
93.07054	93.6
95.08603	43.1
97.06535	20.7
97.10170	33.0
105.07007	35.0
107.04971	11.7
107.08601	58.7
109.10162	72.6
119.08586	33.6
121.06519	12.3
121.10159	85.8
123.11707	8.8
125.09651	27.2
129.06963	11.2
133.10147	21.7
137.06010	11.5
145.10179	14.3
153.12721	35.7
155.10649	26.1
159.11674	11.1
161.13251	11.4
167.07066	22.7
171.10184	15.5
173.11786	100.0
173.13182	20.9
189.11211	30.7
207.06503	10.0
228.96500	9.4
275.20148	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.38296	0.2
57.02452	0.3
65.03955	1.5
66.82613	0.3
70.76394	0.6
70.76715	0.3
72.26443	0.2
77.03918	0.6
79.05501	0.3
89.03936	0.6
91.05489	36.8
92.05812	0.3
93.07042	0.3
101.83922	0.3
103.05486	0.9
105.03373	0.5
109.06541	0.6
118.04195	0.4
119.04955	39.2
120.05297	0.3
121.06512	1.0
129.03386	0.6
132.02106	1.3
133.02835	0.4
135.04431	0.6
136.05255	0.5
137.05994	10.4
145.02859	0.9
147.04424	31.1
149.02357	1.1
157.03976	2.9
162.03110	0.4
163.04028	0.4
164.04680	0.9
164.07179	0.3
167.07103	0.7
175.03923	51.8
175.71405	0.3
176.04393	0.7
179.07031	2.4
181.04985	0.5
189.09148	0.4
192.04160	1.1
207.06541	100.0
208.06897	1.5
269.06799	0.5
284.09286	1.7
296.04510	0.3
359.73560	1.3
360.10834	0.4
360.14624	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	360.1442
Annotation	Lutessine
Peak:m/z	Relative Intensity
59.05040	0.5
65.03934	2.1
67.21075	0.7
70.14537	1.3
70.14927	1.5
70.78745	0.7
77.03917	1.0
79.05492	1.2
81.07047	0.7
89.03896	0.8
91.05489	36.8
93.07059	0.6
95.04980	0.8
103.05441	0.9
105.03358	1.0
105.07055	1.0
107.04961	0.9
118.04235	0.7
119.04953	41.1
121.06519	4.2
123.04418	0.9
124.07579	1.1
129.06996	0.6
131.04883	0.7
132.02042	0.9
133.02841	1.5
135.07846	0.8
137.05989	9.6
147.04420	30.0
149.02361	1.2
151.03923	0.8
157.04036	3.4
161.05997	1.1
164.04640	1.0
164.07057	1.2
167.07050	2.8
175.03923	49.4
176.04301	0.8
179.07037	2.9
181.04994	1.0
181.08575	1.8
189.09096	1.3
192.04190	1.3
193.04996	0.8
198.14940	3.0
207.06544	100.0
208.06894	1.3
225.09183	0.8
238.14595	0.6
251.10536	0.9
282.11560	1.2
298.11273	0.9
313.13486	1.2
328.12720	1.2
360.14505	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57563	0.3
55.01863	1.0
57.03423	0.9
67.05499	0.9
68.99783	1.4
69.03436	0.5
69.61128	0.6
69.61526	1.5
70.06596	2.8
71.01343	0.5
72.08125	0.4
76.74165	0.3
79.05479	1.3
81.07047	1.0
83.01329	0.9
91.05476	1.9
93.07038	0.6
95.04977	2.5
95.08579	0.5
98.20786	0.4
105.03384	0.6
105.07011	1.5
107.04949	1.2
107.08603	0.6
109.06554	0.4
110.39856	0.3
115.05466	0.8
117.07014	3.4
119.04958	3.4
119.08528	0.5
121.06522	3.6
123.04436	23.5
134.44476	0.3
135.04442	2.1
135.08084	3.6
136.07585	2.1
136.10854	0.3
137.05962	1.5
139.03967	0.5
144.07973	0.3
145.06488	3.8
147.04416	7.5
148.05197	0.7
149.05998	3.4
149.20816	0.3
151.03925	1.6
157.06473	0.5
161.05986	1.9
162.05475	0.3
163.03951	1.5
163.07556	14.1
165.05498	4.8
167.07076	0.6
173.06001	6.0
175.07562	1.0
176.04663	0.7
179.07047	4.8
183.77708	0.3
185.05974	1.0
187.07564	0.6
187.28798	0.3
188.07060	0.6
189.05493	0.5
190.06891	0.5
190.08649	12.8
191.07040	58.8
192.07335	1.0
201.12457	0.4
203.07021	3.0
207.06531	0.4
208.09700	100.0
209.08209	0.3
209.09995	1.6
215.07071	0.3
220.09702	2.4
221.08049	0.5
224.91971	0.3
299.09122	0.4
325.10721	5.4
342.13358	5.2
343.11768	2.4
354.77432	0.3
360.14426	25.6
361.14914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.5
55.68955	1.9
57.03444	6.0
57.07079	100.0
67.05511	30.1
69.07069	19.4
69.39593	15.0
71.08636	73.6
79.05508	5.3
81.07056	43.0
83.08624	21.9
85.10189	41.1
88.07635	2.3
91.05473	3.8
93.07045	5.5
95.08610	65.6
97.10172	25.6
98.20854	3.5
99.11713	2.3
105.03732	7.4
105.07037	4.4
107.08593	3.9
109.10161	34.1
109.65965	1.6
111.11728	13.1
117.07007	2.3
119.08582	2.9
121.10142	2.3
122.06377	2.5
123.11697	17.0
125.13305	2.2
131.08580	3.1
133.10112	2.0
135.11749	1.6
137.13258	6.5
145.10162	2.3
146.24693	1.6
147.11652	1.9
154.64049	1.4
159.11754	1.6
169.71034	1.8
220.40491	2.0
267.26886	12.5
285.27957	7.5
296.29559	15.2
341.30508	65.8
342.30832	2.1
359.29684	2.0
359.37183	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	360.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.5
55.05698	0.3
67.05406	0.9
67.05720	0.3
69.06991	0.7
69.68503	1.7
72.23583	0.2
77.38773	0.2
79.05424	0.5
81.06960	1.8
82.07314	0.7
85.06492	0.3
90.08565	0.3
91.05434	0.6
93.06977	0.5
95.08504	1.0
96.08826	0.9
107.04869	0.3
107.08501	0.8
109.10107	0.5
111.08015	0.3
117.69512	0.2
119.08500	0.5
121.06419	0.4
123.11587	1.0
125.09528	0.2
137.05946	0.5
137.13173	0.4
138.06233	0.3
139.11058	0.3
145.49567	0.3
146.13585	0.3
149.13152	0.4
150.13533	0.6
150.94112	0.3
151.07306	0.3
155.59293	0.3
167.06947	1.0
181.04945	0.3
186.08990	0.4
187.13210	0.3
189.08948	0.3
199.06252	0.2
207.06532	0.4
211.07159	0.4
212.08040	0.3
222.05481	1.0
224.07060	0.3
230.99579	0.3
231.05244	0.8
238.05371	0.3
238.08615	0.4
238.56816	0.3
240.06642	1.0
241.07452	0.9
252.06583	2.9
253.04958	0.5
253.07178	1.3
254.04610	1.2
254.08702	1.2
255.09074	0.3
256.06320	0.3
256.09763	0.5
257.06812	1.0
266.08289	0.4
268.06046	5.5
268.10529	0.4
269.06842	43.1
270.07025	1.3
282.08365	0.3
282.11914	0.5
284.09180	100.0
285.09393	3.3
300.08795	1.5
300.13040	0.3
306.25101	0.5
310.07141	0.4
314.10800	1.2
314.14667	0.7
328.12680	1.8
332.15482	0.4
342.10080	0.3
342.14182	0.7
360.10919	10.1
360.15332	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.05509	30.5
57.03432	6.2
57.07067	10.6
67.05518	29.7
69.03413	12.9
69.06762	5.5
69.07078	46.7
70.02785	16.9
70.03151	8.9
79.05474	20.3
79.93018	4.1
81.07062	100.0
83.04974	7.9
83.08630	9.3
84.22837	3.8
85.02911	6.3
85.06543	17.0
91.05482	20.2
93.07049	49.8
95.04971	12.7
95.08612	83.7
97.06525	8.1
97.10162	21.9
99.08066	8.2
103.05476	9.1
105.07039	17.5
107.04943	10.1
107.08603	47.7
109.06545	6.4
109.10165	29.7
111.08096	23.5
111.11755	8.0
113.37418	4.5
115.05520	5.6
117.07052	11.9
119.04964	6.8
119.08559	14.7
121.02872	7.2
121.06521	7.0
121.10159	25.6
122.09684	7.0
123.04481	6.1
123.08107	4.6
123.11727	58.7
125.05999	5.8
125.09617	8.5
129.07043	5.6
131.04941	10.5
131.08591	6.9
133.10117	7.4
135.11691	18.6
137.05977	18.3
137.09637	5.1
137.13287	17.2
139.11177	14.8
141.06990	29.0
141.12788	7.0
145.06503	13.0
145.10068	5.6
147.04414	8.6
147.11649	8.5
149.05984	5.7
149.13277	37.3
150.57748	4.2
151.03949	4.9
151.11214	5.2
155.14294	7.7
157.12270	11.5
159.11720	5.2
161.05980	6.7
163.11270	6.0
163.14882	9.5
167.07072	15.8
177.09158	5.6
179.07059	5.8
181.04927	13.1
182.07257	5.6
185.15625	4.3
187.07552	6.9
187.13274	12.4
195.08090	5.8
197.05966	71.7
205.06659	5.7
205.08612	9.9
207.10155	7.2
223.07494	10.0
240.07947	7.0
249.09167	12.7
253.08598	14.4
255.10165	8.2
266.09302	6.5
267.10107	7.7
283.09625	13.2
293.24725	5.9
299.12622	6.3
305.24704	34.6
309.11011	5.4
313.10736	23.3
313.14395	13.8
323.25815	9.9
324.14847	5.4
327.08917	4.9
327.12128	23.8
331.15469	8.4
340.98294	4.8
341.13892	22.1
357.78720	4.9
359.11118	11.7
359.14896	52.1
359.25949	5.1
374.72729	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	359.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
55.05518	15.8
57.03430	3.0
57.07077	3.2
58.82850	1.4
59.81802	1.8
65.03931	3.5
67.05228	1.8
67.05515	17.6
69.03425	4.0
69.07073	24.4
69.32320	7.2
69.32750	7.3
70.85542	1.5
71.05019	2.1
74.08613	1.5
79.05499	9.3
81.07066	64.0
83.05013	2.6
83.08612	5.0
85.06545	9.4
85.40459	1.6
88.64185	1.6
88.69697	1.8
91.05492	10.3
93.07052	29.5
93.56210	1.4
95.04972	3.9
95.08617	46.7
97.06519	5.3
97.10174	13.6
99.08081	5.6
102.17816	1.6
102.33330	1.7
103.05476	2.9
105.07030	9.2
107.04961	4.2
107.08601	21.6
109.06522	1.8
109.10167	17.4
110.03696	1.8
111.04449	2.5
111.08083	12.9
111.11713	5.1
115.05424	2.6
119.04984	2.6
119.08585	5.9
119.50886	1.5
121.02877	9.8
121.03622	1.5
121.06506	3.6
121.10159	12.3
123.04405	2.8
123.08092	2.7
123.10822	2.7
123.11713	34.8
125.05986	2.4
129.07016	2.0
131.04942	3.4
133.10144	6.1
135.04356	1.9
135.08038	2.4
135.11668	8.1
137.05978	12.6
137.13278	12.4
139.11197	8.2
141.12755	1.7
142.02550	1.9
145.06503	3.1
145.10133	2.0
147.04396	2.5
147.11661	4.1
149.05925	1.9
149.13269	25.5
151.03928	12.6
151.07571	2.6
151.11208	3.3
153.05479	4.4
153.12750	4.3
155.14333	3.3
157.06531	2.2
157.12300	10.8
159.08099	2.5
161.06029	4.7
161.13278	3.1
163.14838	4.3
165.05598	2.0
165.07021	5.2
167.07074	2.8
167.08455	1.9
167.14226	2.1
169.06512	3.1
169.12253	3.9
178.07773	2.3
181.04924	5.6
181.06476	4.5
182.07237	3.6
187.13309	6.8
189.09108	2.9
194.07248	3.0
195.08083	4.6
197.06007	3.9
206.07198	2.2
207.08102	1.8
209.06036	2.3
210.06746	5.3
211.07552	3.6
220.08929	1.7
221.09660	4.4
223.07550	6.9
224.08458	2.6
225.09151	3.9
227.07147	2.9
235.07399	2.0
237.09154	5.6
237.18596	1.9
238.06345	4.9
238.09911	3.5
239.06966	5.3
239.10713	2.5
240.07903	12.9
249.09181	2.7
250.09953	1.8
251.07106	3.0
252.07837	2.6
253.08716	22.4
253.12192	7.6
254.09325	3.4
255.06450	2.4
255.10100	4.8
257.08142	3.7
263.10922	1.8
265.08539	3.4
266.09598	3.6
267.10028	1.9
268.06198	3.1
269.06784	42.3
277.25317	3.2
279.10266	2.0
281.07986	4.8
281.11649	4.6
283.06079	1.6
283.09732	7.9
284.09174	100.0
287.23642	3.6
293.24606	5.5
295.09683	2.3
297.07523	1.9
297.11121	2.9
298.08301	3.3
298.11655	2.9
299.12781	6.2
300.09726	4.7
305.24738	23.0
309.11050	5.9
313.10690	24.8
313.14362	17.0
321.27747	1.8
323.25790	7.1
327.12277	33.8
328.12982	2.4
331.15320	4.8
341.13876	16.2
359.11243	3.7
359.14957	41.0
360.10931	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	359.2582
Annotation	16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.03950	1.6
55.01872	2.6
55.05515	6.1
57.07067	2.6
67.05505	10.4
69.07072	26.9
70.06606	2.5
70.51332	3.3
71.08632	20.0
71.24722	1.5
79.05492	8.6
81.03419	3.1
81.07054	10.5
83.04981	2.2
83.08616	5.1
85.06547	1.7
89.02750	1.3
91.05486	12.1
93.07044	13.4
95.04971	4.4
95.08602	13.2
97.02908	3.1
97.06529	2.6
99.04488	1.5
99.08112	12.0
105.07026	15.2
107.04951	2.2
107.08577	7.2
109.06545	2.5
109.10182	5.8
115.05476	2.0
117.07021	8.9
119.08575	11.7
121.06489	4.0
121.10144	4.3
123.08013	2.0
123.11668	1.5
125.06028	3.0
128.06250	2.4
129.07030	5.6
131.04866	2.2
131.08595	9.0
133.06487	4.8
133.10085	6.9
135.08023	2.6
135.11707	4.1
137.06006	2.1
141.07018	2.6
142.07817	2.3
143.08549	5.6
145.06514	4.6
145.10104	12.1
147.08061	4.7
147.11700	3.9
149.09700	2.0
149.13213	1.8
151.11186	3.2
155.08559	5.7
156.09416	2.2
157.10147	7.2
158.07256	2.7
159.08060	11.2
159.11700	5.2
160.08849	17.2
161.09642	8.8
161.13248	3.8
163.11203	2.0
163.14830	1.9
167.08598	1.4
169.10159	3.6
170.10936	1.4
171.08145	2.0
171.11734	1.9
172.08878	1.6
173.05846	1.8
173.09605	13.9
173.13292	7.8
174.10306	2.1
175.11198	3.4
181.10068	1.5
183.08189	1.7
183.11702	4.0
185.13315	3.0
187.11136	3.0
187.14836	4.8
187.60007	1.6
189.16208	1.6
197.13358	1.8
199.14865	5.0
201.09100	3.8
201.16418	2.4
203.14261	3.4
209.13258	2.2
211.14796	3.3
215.10703	1.6
215.14302	4.5
216.11444	2.7
217.15944	2.1
221.13379	1.9
225.16371	2.3
227.14360	4.7
227.17845	1.6
229.12329	1.8
229.15869	47.9
229.18130	2.5
241.15616	1.5
243.17549	4.3
245.15260	1.5
257.19089	2.4
271.16949	4.2
272.17673	6.2
273.18298	3.2
285.18579	2.2
295.24002	1.6
299.23645	3.4
313.25320	6.2
323.23676	2.9
331.26389	2.6
341.24768	100.0
342.24890	2.7
359.19006	1.6
359.25909	23.9
359.37143	11.6
371.69452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
61.02909	1.3
66.53135	0.9
69.03421	2.6
71.10838	1.8
73.02911	1.0
79.05493	2.1
81.07029	1.1
85.02905	8.2
91.05469	4.1
93.07049	5.8
95.92553	0.9
97.02871	1.5
101.41982	0.8
101.97867	0.9
105.07021	6.3
107.08604	34.6
109.06548	1.2
119.08581	6.2
121.06464	1.2
121.10172	4.9
123.08057	0.8
123.11743	1.1
127.03907	1.7
133.10143	20.6
139.07507	1.3
143.08446	0.8
149.09619	3.8
151.11192	7.9
161.09633	4.2
167.10681	14.3
172.77783	0.8
179.10703	17.4
197.11746	100.0
198.12108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88587	1.7
57.03442	35.1
59.42126	1.9
61.02937	17.2
65.91369	2.1
69.03436	33.4
71.01362	3.4
71.19072	2.7
73.02927	68.8
81.03410	5.9
84.95419	2.0
85.02913	100.0
87.04459	6.9
91.03944	5.7
97.02907	44.7
98.21527	2.1
99.04441	4.2
109.02877	8.4
115.03944	39.7
118.55320	2.4
123.06841	10.1
124.69719	2.7
127.03912	25.0
132.06532	2.8
133.04967	9.3
145.04973	64.3
150.07651	3.5
151.07516	2.3
163.06039	35.9
166.08632	4.3
178.08681	4.4
196.09717	42.0
209.10179	7.0
241.07048	4.6
295.10287	5.9
317.19891	2.0
343.95218	2.6
358.14941	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	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61390	1.0
57.03445	2.0
59.05027	1.4
61.02936	1.7
66.91565	1.0
67.05505	1.8
69.03426	6.3
69.91621	1.0
70.06600	1.3
70.82970	3.4
73.02899	1.2
79.05500	1.8
81.03427	1.7
81.07060	1.4
81.78265	0.9
85.02916	24.4
91.05495	5.4
93.07034	8.5
95.04948	2.1
97.02891	5.1
99.04476	1.4
100.07614	1.3
105.07061	6.1
107.08604	20.1
109.02892	2.6
109.06506	1.1
109.10099	1.6
119.04991	1.2
119.08587	1.7
119.26701	1.1
121.06499	2.6
127.03938	4.6
128.07108	1.5
133.10153	18.2
135.11694	20.3
135.12694	1.4
145.04948	3.1
151.11165	2.7
161.09633	13.6
179.10681	37.3
197.11742	100.0
198.12059	1.6
216.06392	1.0
269.21606	1.2
360.17932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31662	0.5
55.05510	1.1
59.05005	0.7
61.02907	0.9
67.05492	1.3
68.05862	0.5
69.03425	2.3
69.07071	0.9
70.06573	0.5
71.04986	0.7
71.35255	0.9
79.05500	1.3
81.03378	0.6
81.07053	2.0
81.92378	0.5
85.02910	6.5
86.09708	4.9
87.05604	0.8
91.03922	0.6
91.05474	4.9
93.07040	6.5
95.04958	1.9
95.08601	1.3
97.02894	2.4
99.04444	0.8
105.07040	7.1
107.04957	0.7
107.08601	20.5
109.02847	0.9
109.06516	1.8
109.10157	2.2
114.30685	0.6
119.04923	1.1
119.08567	2.6
120.28352	0.6
121.06536	2.8
123.04452	1.2
123.11731	0.9
127.03926	1.1
128.07068	0.8
131.05013	0.7
131.08575	0.8
133.10139	21.0
134.10478	0.6
134.99059	0.5
135.08011	0.7
135.11700	19.6
137.05965	1.6
137.09647	2.2
138.09215	0.7
141.10205	0.9
142.08853	0.5
145.04893	0.7
147.04428	1.4
149.02368	1.4
150.18283	0.6
151.11176	2.3
153.05501	0.6
155.11833	0.9
161.09628	11.8
163.03937	0.6
163.07510	1.1
164.07092	1.0
167.07037	1.5
175.03920	1.3
179.10678	34.8
180.11111	0.8
187.07599	0.7
195.08104	0.7
196.13414	0.6
197.11746	100.0
198.12068	1.8
200.13918	3.2
207.06525	2.1
208.09761	1.0
228.13583	0.6
261.10150	0.8
269.61322	0.9
294.43338	0.5
313.07187	0.5
341.06720	0.8
342.10580	1.2
359.12766	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	358.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84147	1.0
60.04520	2.6
70.73119	2.1
70.73477	2.0
86.09728	2.0
88.31448	1.3
91.05473	1.4
101.61295	1.2
131.49080	1.0
133.99388	1.2
137.05997	2.1
141.53351	1.1
143.51158	1.0
163.07570	1.8
165.07011	1.7
175.03874	1.1
179.08510	1.3
181.06453	1.5
191.08519	2.2
193.06485	1.1
195.08092	5.1
205.06433	1.8
207.06541	3.4
207.08218	2.4
208.08864	1.2
209.09656	1.2
210.06888	1.2
212.08403	1.1
219.08089	2.8
221.05939	3.0
223.07535	4.5
224.08409	1.8
225.09010	5.6
233.05998	2.4
235.07539	2.4
236.08305	2.7
237.09129	24.8
238.06284	1.2
239.07080	2.4
240.07843	8.1
249.05394	1.9
249.09059	1.4
251.07033	7.1
251.10789	1.3
252.07787	1.9
253.08644	15.4
255.10204	19.3
263.07025	1.9
264.07813	1.8
265.08615	49.7
266.05981	1.5
266.08951	2.2
267.06534	3.8
267.10199	5.4
268.10956	1.5
279.10120	4.4
280.10950	87.4
281.08112	43.0
281.11224	3.6
282.08420	4.7
283.09659	33.5
283.12216	0.7
294.11383	1.7
296.10446	53.3
297.07788	2.3
297.11133	22.1
298.12000	66.8
299.12650	3.8
309.13638	2.4
311.12781	100.0
312.13025	2.7
326.14468	1.6
327.12277	3.2
340.15506	5.4
341.16092	1.6
358.12848	1.0
358.16528	25.8
358.29477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1501
Annotation	Bakankoside
Peak:m/z	Relative Intensity
51.37437	0.7
51.92455	0.7
53.03977	0.9
55.01868	1.1
56.96565	2.0
57.03434	1.3
61.02922	3.4
63.95507	0.8
69.03439	8.6
70.06597	1.3
70.25234	0.8
71.05009	1.2
71.54617	1.5
72.08147	0.8
73.02913	3.5
81.03419	2.7
84.08144	2.5
85.02913	11.8
86.03268	0.8
86.64000	0.9
87.04479	1.2
91.03983	1.0
91.05494	2.3
93.07059	0.8
93.21542	0.7
96.08159	0.7
97.02901	5.2
98.97585	1.9
99.04457	1.7
103.05489	1.3
105.07043	3.3
108.08131	1.3
109.02896	1.5
111.04474	1.5
115.05491	1.9
116.07103	1.0
116.24480	0.8
117.05790	2.9
119.01913	1.1
120.08176	1.1
122.06014	0.9
123.06816	2.6
124.07626	1.2
127.03944	1.8
127.85021	0.8
130.06537	1.8
132.08104	8.2
133.05252	0.8
133.06517	1.4
134.06021	4.3
136.07561	5.8
137.06001	3.4
138.05540	3.3
143.04932	2.7
145.01668	1.3
145.05016	1.6
147.06842	4.3
148.07593	17.8
149.05931	2.2
149.08336	1.4
150.05522	0.9
150.09177	8.2
151.07582	5.0
152.07057	7.9
153.07690	0.9
154.04993	9.5
154.06065	1.2
155.01967	1.4
155.38542	0.7
156.10258	0.8
160.07594	28.3
161.06007	4.2
163.02789	1.1
163.06285	0.9
164.07127	4.9
166.08661	1.8
167.07072	1.2
176.07048	1.3
178.08650	61.3
179.07062	2.7
180.10188	1.0
190.08670	1.5
192.06625	1.1
192.10078	0.9
194.08221	1.1
196.09711	98.6
197.10159	1.2
221.05199	1.2
238.10620	1.4
245.05032	3.1
263.06042	0.9
267.58517	1.4
276.12766	0.8
307.06955	1.3
340.13974	8.3
358.14990	100.0
359.15234	1.8
376.03275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	2.5
71.35499	1.8
74.95160	0.7
75.62864	0.8
79.05491	1.3
86.09708	2.0
91.05473	4.0
93.07046	1.0
103.05431	1.5
104.10750	1.2
105.07054	1.4
119.04959	3.3
121.06486	1.6
127.58907	0.7
131.04962	2.0
132.05275	1.9
133.06430	0.9
137.05992	6.8
138.06334	3.6
147.04391	2.3
151.07558	2.2
152.07919	1.2
161.06001	1.2
163.07513	4.1
164.07921	5.2
165.06989	1.8
167.07082	2.4
168.07370	1.3
170.91956	0.8
175.03940	3.3
175.07454	1.1
178.54823	0.9
179.08434	1.0
183.08049	1.2
190.21690	0.9
191.08517	1.4
193.06619	1.3
193.08568	1.1
195.07976	4.3
196.13367	2.1
197.05945	1.1
205.06462	1.8
207.06525	6.2
207.08163	2.4
208.08873	1.0
209.09644	2.0
210.06732	1.6
211.07536	2.5
219.08040	2.1
220.08841	1.1
221.05998	3.3
222.06738	2.0
223.07541	6.3
224.08469	2.5
225.05508	1.0
225.09074	4.5
233.06042	3.6
234.06883	0.9
235.07564	3.0
236.08282	2.7
237.09102	29.7
238.06226	2.3
238.09373	0.8
239.07005	1.5
240.07826	13.5
247.07571	2.3
248.08421	1.4
249.05524	2.4
249.09143	2.1
250.06294	1.1
251.07040	6.7
251.10603	1.1
252.07845	3.2
253.08627	16.0
255.10168	19.8
263.07010	3.1
264.07718	2.0
265.08597	61.0
266.08990	1.1
266.12106	1.0
267.06573	3.6
267.10104	5.9
268.07257	1.5
268.10980	2.2
269.08282	1.3
279.07312	1.0
279.10165	5.1
280.10962	92.3
281.08115	47.5
281.11313	3.5
282.05212	1.1
282.08600	6.4
283.06531	1.7
283.09662	29.7
283.70630	0.9
284.10251	1.8
294.11673	2.0
295.09607	1.5
296.06961	1.7
296.10440	59.6
297.07642	3.7
297.11169	25.0
298.12015	65.8
299.12485	4.4
309.13574	2.3
309.17038	1.1
311.12784	100.0
312.13028	1.7
315.12473	1.0
326.14661	2.3
327.12262	3.6
340.08289	1.7
340.15479	4.4
341.09863	1.3
341.15930	1.3
358.16620	23.6
358.29660	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	358.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
61.02903	0.5
67.05496	0.3
69.03442	1.9
70.06571	0.6
71.46698	0.6
73.02892	1.1
81.03419	0.6
84.08096	0.3
85.02509	0.3
85.02914	3.2
94.06561	0.6
97.02901	1.6
98.97585	0.3
110.06098	0.4
112.20327	0.3
112.60631	0.3
117.05758	0.3
117.10876	0.3
122.06006	0.6
123.06815	25.8
124.07550	1.1
127.03928	0.6
132.08064	0.9
134.05994	0.6
136.07567	0.7
136.44034	0.4
137.05965	0.7
138.05476	1.2
139.03888	0.5
145.04970	0.7
147.06834	0.5
148.07582	3.1
149.04749	0.3
150.05505	5.2
150.09134	1.9
151.06317	0.7
151.07526	0.4
152.07036	1.2
160.07584	4.0
161.05954	0.7
164.07095	0.6
166.07376	0.5
166.08664	6.5
168.10239	0.3
169.03532	0.3
173.03027	0.4
178.07042	0.5
178.08635	13.1
196.09702	100.0
197.10051	1.4
223.08862	0.3
233.50375	0.3
246.64116	0.2
282.07938	0.3
297.06448	0.5
340.13947	1.0
358.14987	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15788	4.0
55.01874	4.2
55.05262	5.5
55.05515	66.9
56.95776	4.8
57.03424	15.5
57.07077	42.9
65.60070	4.0
67.05177	5.3
67.05505	77.0
69.06734	5.3
69.07072	94.7
69.40099	24.7
69.40520	11.7
70.06588	7.4
71.04993	8.0
71.08633	30.8
75.04457	5.3
78.95949	4.7
79.05505	59.5
81.07063	100.0
83.04980	9.9
83.08209	5.2
83.08626	59.5
85.06529	6.7
85.10175	12.6
88.07616	11.1
88.74612	3.7
90.34764	3.6
91.05464	24.2
93.07050	62.5
95.04984	8.5
95.08611	97.1
97.06005	4.2
97.06535	27.4
97.10178	44.4
103.03987	4.4
103.05432	5.6
105.07053	25.5
107.08587	55.2
109.06490	5.9
109.10158	54.6
111.08068	13.7
111.11736	8.4
117.07005	9.5
118.04143	6.6
119.08558	16.5
121.10153	82.1
121.28907	3.7
123.11686	17.5
125.09619	7.4
129.06982	7.7
131.08530	11.7
133.06500	6.8
133.10114	7.5
135.08034	7.7
135.11711	71.1
136.64059	4.3
137.05952	9.9
137.13217	10.0
138.40048	4.3
139.11200	7.0
143.08556	9.9
145.10123	9.1
145.94553	3.7
147.11717	9.6
149.13274	34.5
153.12735	6.8
155.08575	5.2
157.10127	12.1
159.11705	12.0
161.13240	7.2
163.11037	3.8
163.14813	8.7
165.05554	4.5
165.09152	4.9
165.16428	8.2
171.11731	5.8
173.13217	5.7
175.11255	4.3
177.16354	10.3
181.15913	5.6
184.84895	4.2
185.13251	5.1
187.14888	6.6
188.08174	3.9
193.08627	22.8
203.10631	6.0
213.16309	9.3
247.24254	66.6
265.25327	57.7
274.89435	4.7
283.26328	5.7
339.23145	5.3
339.29227	40.8
355.37308	4.1
357.13223	6.7
357.27740	5.2
357.35498	66.5
358.36868	7.2
368.09143	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05512	65.4
57.03427	13.7
57.07079	50.9
67.05510	84.3
69.06728	7.8
69.07074	99.0
71.08632	24.3
71.35787	6.5
73.89365	4.4
75.04477	5.6
79.05122	5.8
79.05504	61.0
81.07063	88.9
83.05025	4.7
83.08627	72.7
85.10173	13.3
91.05500	9.2
93.07056	76.6
95.04943	5.9
95.08615	84.3
97.06551	41.9
97.10168	42.3
100.36203	5.1
107.08603	50.9
109.10149	49.7
111.08076	13.6
111.11734	14.4
121.10152	100.0
123.11685	21.1
125.09633	9.8
125.13305	11.1
131.35896	4.7
135.11714	81.7
135.27959	4.5
137.13251	7.4
139.11205	7.3
149.13301	36.2
151.14792	14.6
163.14815	17.6
177.16396	9.6
191.18031	12.7
205.19598	5.4
247.24228	88.6
251.82538	4.7
259.88071	5.0
265.25311	60.4
283.26196	7.5
339.29013	52.5
349.99530	4.9
357.30081	8.6
357.35480	23.3
380.08716	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	357.3002
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03941	3.8
55.01866	5.7
55.05265	4.2
55.05515	60.5
57.03426	11.9
57.07079	43.2
65.03929	3.0
67.05508	87.6
69.07073	96.0
71.08630	24.3
71.94992	2.7
74.01462	2.8
79.05499	59.2
81.07063	100.0
83.04974	4.2
83.08626	52.4
85.06532	6.8
85.10187	13.9
87.04465	8.3
91.05460	15.9
93.07056	78.4
95.05000	3.1
95.08611	96.8
97.06543	30.2
97.10172	43.0
98.20772	6.1
99.08084	3.8
103.03968	3.2
103.05511	3.8
105.07011	17.9
107.04946	3.1
107.08601	59.0
109.06495	5.4
109.09452	4.3
109.10168	53.3
111.08096	15.4
111.11731	16.9
117.06996	7.9
118.04180	4.8
119.08578	13.1
121.06592	3.2
121.10149	92.1
123.11721	17.5
125.05984	4.6
125.09624	8.1
128.06227	4.4
131.04953	3.2
131.08574	6.2
133.06497	3.1
133.10118	8.6
135.08086	3.0
135.11699	75.0
137.06013	5.1
137.13275	8.4
139.11151	9.1
143.08527	5.4
145.10130	10.3
147.11708	8.1
149.13237	36.4
151.07440	3.0
151.14844	11.4
151.59848	2.9
153.12784	5.0
155.08571	3.3
157.10139	6.9
159.11688	7.9
161.13220	4.0
161.60913	2.8
163.07556	4.5
163.11101	3.5
163.14832	17.0
165.09210	3.7
165.16425	9.5
167.14375	3.0
171.11725	5.4
173.13316	4.3
177.16402	10.1
181.08492	3.4
185.13284	3.5
191.17964	7.0
193.08690	14.9
197.13298	4.7
207.13765	5.1
247.24237	63.9
265.25278	62.2
265.27881	5.1
266.15036	2.9
283.26245	3.6
299.19666	3.7
311.27121	5.2
315.44400	3.0
320.36646	3.0
339.23282	6.5
339.29053	40.9
357.24057	15.1
357.27969	21.8
357.35464	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	357.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.4
55.05268	3.4
55.05514	43.9
57.07064	3.5
65.03929	3.1
67.05495	12.6
69.03406	4.0
69.07072	26.5
71.04987	4.1
71.38020	5.5
79.05490	8.3
81.07070	38.4
83.08627	5.8
85.02893	4.9
85.06517	6.2
91.05466	8.0
93.07038	12.7
95.08054	3.9
95.08611	39.7
97.06482	5.4
97.10177	100.0
99.08073	3.9
101.06017	3.7
105.07031	11.3
107.04935	3.1
107.08617	13.5
109.06528	9.0
109.10164	15.1
111.04456	4.5
111.11744	4.2
119.04957	8.1
119.08589	10.2
121.06522	3.5
121.10148	16.2
123.04409	11.9
123.08032	3.1
123.11728	14.6
124.27801	2.6
125.09641	17.8
126.17159	2.6
131.04955	3.1
133.06468	3.2
133.10139	5.9
135.04521	3.9
135.08022	3.2
135.11713	5.4
137.05949	12.2
139.11195	10.7
143.10678	45.1
145.10172	4.2
147.04398	12.7
147.11627	5.9
149.05908	3.6
149.13350	3.6
151.03909	10.7
151.07524	4.3
157.12289	6.5
160.05200	3.4
161.05968	6.4
163.03911	7.9
163.07513	4.7
165.05458	9.4
165.12784	4.0
167.07068	2.9
171.10158	5.1
175.07556	3.4
177.05550	6.1
179.07056	3.1
189.11238	11.3
203.06999	5.4
205.08624	24.3
207.08107	4.7
218.07060	3.4
235.07655	5.3
237.09219	4.0
239.10843	3.1
241.08684	2.9
247.07550	3.8
249.09039	4.2
251.20113	2.8
253.08429	2.9
264.07669	5.0
265.08624	3.0
277.08453	3.4
281.07956	3.2
288.38147	2.6
295.09634	7.0
297.11176	6.7
299.12695	6.1
303.23270	8.2
307.09570	7.5
309.11011	4.7
312.09729	3.6
321.24268	24.8
325.10657	7.7
327.12061	14.5
329.13870	7.3
339.12219	4.6
339.25296	12.1
357.09308	4.9
357.13300	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.05270	5.4
55.05512	71.9
57.03437	15.9
57.07076	53.4
63.26456	2.7
67.05506	85.4
68.56898	2.5
69.07071	99.1
69.88412	4.3
69.88823	8.4
70.06570	4.7
71.04991	6.9
71.08630	30.5
75.04475	3.6
75.52278	2.6
79.05061	3.8
79.05492	52.9
81.07061	96.9
82.33655	2.3
83.04995	4.9
83.08618	75.9
85.06528	6.5
85.10184	17.5
85.66794	2.6
86.11839	2.4
87.92994	2.9
88.07626	2.9
90.05570	4.0
91.05450	9.6
93.07047	67.9
95.04977	4.7
95.08608	91.1
97.06534	28.1
97.10177	49.2
98.20856	3.8
98.71283	2.8
103.03974	2.5
105.07037	6.0
107.08591	51.3
109.10161	45.8
111.08069	12.3
111.11729	13.2
113.09692	3.4
121.10144	100.0
123.11710	17.6
125.09624	6.9
125.13297	4.1
135.11694	67.5
137.13249	10.1
139.11169	9.2
145.10222	3.4
149.13252	33.9
151.14807	12.1
153.12781	4.9
163.14822	16.3
165.16353	10.3
177.16306	6.8
191.17958	8.8
193.08774	2.9
195.17300	3.3
209.19150	3.2
232.45258	3.2
247.24239	84.6
249.72267	3.6
265.25281	59.8
283.26385	4.8
339.28970	44.6
340.30109	3.2
357.30096	7.5
357.35474	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	357.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.1
56.93784	1.2
57.03452	1.4
60.57811	1.2
70.91695	2.2
79.05507	6.8
91.05466	7.2
93.07051	2.3
94.59508	1.0
95.04974	2.3
103.05465	11.6
105.07039	18.9
107.04968	3.8
109.02905	1.7
109.06521	1.6
115.05489	1.6
117.07024	1.1
118.04160	19.7
119.04964	1.4
120.05762	2.9
121.06514	4.6
122.07303	3.4
124.05223	9.3
131.04938	3.0
131.08562	1.1
132.05717	1.3
133.06491	27.6
134.07272	2.5
135.04411	3.7
135.08052	4.4
137.05975	2.7
147.04411	2.3
149.05962	2.7
150.06761	12.3
151.07559	4.1
161.06000	4.8
163.07559	2.7
164.08395	1.8
165.09129	17.7
193.08618	100.0
200.31793	1.1
220.04974	1.2
275.13101	1.3
316.66733	1.3
337.08936	1.1
357.20676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1698
Annotation	Odoratisol A
Peak:m/z	Relative Intensity
50.60616	0.7
53.03936	1.8
53.77765	1.0
55.01876	1.5
55.05512	0.9
65.03954	1.3
67.05505	1.6
69.07058	1.0
70.94505	2.4
78.04704	1.3
79.05500	9.8
79.20949	0.7
80.87357	0.7
81.07053	3.4
89.04259	0.8
91.05483	13.6
93.07037	5.5
95.04960	3.9
102.89969	1.1
103.05476	6.8
105.07047	17.2
107.04961	22.5
107.08604	1.4
109.06537	2.3
110.50381	0.8
111.04378	1.0
115.05447	10.1
117.07006	8.7
118.04186	1.4
119.04947	2.9
119.08578	3.5
120.05668	1.4
121.06530	10.6
121.10152	1.3
123.04453	2.8
124.05216	3.0
125.06003	1.3
128.06235	26.2
129.06966	2.0
131.04907	4.6
131.08565	3.0
132.05702	1.4
133.06505	11.5
133.10136	1.0
134.03717	1.0
135.08041	2.4
137.05989	9.7
141.06984	2.3
142.07768	2.1
143.05014	2.0
143.06107	1.0
143.08569	33.4
144.05765	1.1
145.06480	15.8
145.10114	2.0
146.07301	6.9
147.04402	1.9
147.08078	2.1
149.06039	2.4
149.09610	0.9
149.50667	0.9
151.03839	1.5
151.07579	3.6
152.04735	1.3
153.05493	4.4
153.06856	0.9
155.06102	1.3
157.06488	1.0
157.10114	1.9
158.07243	1.0
159.04494	0.9
159.08098	2.7
159.11716	0.8
160.05220	2.1
160.08818	2.4
161.06003	9.3
161.09636	11.4
162.06763	2.5
163.03899	8.5
163.07574	8.7
164.08342	1.0
165.09145	1.0
166.06261	2.7
167.07053	32.5
169.06570	1.0
171.08066	37.3
172.08783	1.3
173.05978	6.9
173.09666	2.3
174.06741	1.3
175.07596	12.0
175.11215	3.3
177.09123	8.6
178.06284	12.3
179.08626	1.0
181.08603	26.4
185.09584	1.6
187.07553	7.9
188.08334	55.1
189.08957	1.4
190.07843	1.1
193.08600	21.2
193.10269	1.4
194.09375	1.7
195.08139	1.0
195.10222	3.4
201.09171	1.4
203.10683	100.0
204.11087	1.3
207.08209	1.1
217.12251	1.8
233.09570	2.0
233.11708	2.6
250.09927	1.8
261.09232	1.5
265.12296	1.7
266.05893	1.0
267.10135	1.0
293.11938	2.0
297.14764	1.5
313.10703	1.8
313.40854	0.9
324.14001	1.2
325.14426	2.8
328.13007	2.1
342.14990	1.3
357.17001	17.0
357.24210	2.9
358.17181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
55.05500	1.4
65.35484	0.7
71.56896	1.3
72.04512	1.3
79.05489	1.1
81.07054	2.2
88.93512	0.7
91.05468	1.9
93.07042	1.9
95.04982	0.9
95.08601	0.9
103.05466	0.9
105.07014	1.8
107.04964	1.2
107.08598	1.1
119.08577	1.7
121.06538	4.0
123.04385	0.9
133.10117	0.9
137.05978	3.0
139.03900	5.1
144.24329	0.8
147.04509	0.8
149.05994	7.2
159.11700	1.0
159.82616	0.9
160.12013	1.1
176.06218	2.4
177.05441	3.5
189.07004	3.1
190.07729	2.1
191.08582	4.9
191.10234	0.9
193.06619	1.5
195.08060	1.1
204.05713	2.6
204.08070	3.5
205.06458	2.9
205.08559	1.2
206.07202	1.0
207.08047	2.7
208.08801	1.4
219.08099	47.9
219.10143	8.4
220.08594	1.4
221.05975	3.6
222.06706	1.6
223.07518	2.4
225.09012	1.6
232.07587	2.2
233.06100	4.9
233.08186	1.4
234.06711	1.1
235.07556	5.6
236.08337	6.8
237.05331	1.0
237.09120	9.6
239.07034	1.4
241.08670	0.8
247.07550	34.5
248.08360	6.0
249.05556	5.0
249.07771	1.9
249.09265	1.2
250.09996	0.9
251.07053	3.1
251.10664	2.7
252.07632	2.3
253.08519	3.5
254.09323	1.2
263.07074	2.3
264.07782	12.6
264.10309	2.8
265.08606	15.3
266.08749	1.1
267.10226	3.8
268.07129	1.0
279.10168	100.0
280.10913	15.3
281.07999	10.0
281.11429	4.8
282.08762	1.9
283.09625	3.0
291.09036	1.0
292.09628	3.2
296.10297	6.9
296.12808	27.5
306.11264	2.8
309.07425	1.1
311.09512	1.3
311.12753	9.4
324.12430	7.7
325.13297	0.9
339.12485	1.0
341.12744	1.3
356.11978	3.1
356.15811	1.2
357.13306	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	356.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01882	0.6
57.03422	1.0
61.02923	1.0
63.03433	0.3
68.04659	0.3
69.03429	4.3
71.04979	0.6
71.56584	0.4
71.56946	0.5
72.04510	0.4
73.02913	1.0
81.03408	1.4
85.02911	8.9
85.03427	0.6
86.03262	0.7
91.03933	0.5
91.05484	6.2
93.33499	0.4
95.04968	2.4
97.02907	3.3
97.88394	0.4
98.97581	1.0
99.04424	0.4
101.00860	0.5
103.00687	0.4
105.07034	0.6
107.04951	0.4
108.99599	0.3
109.02882	1.1
110.07169	0.7
115.03957	0.3
119.01934	0.9
119.04952	6.5
120.01974	0.4
121.01649	0.4
121.06509	0.4
127.03918	2.1
131.01894	0.4
133.06548	0.4
134.06110	0.4
135.08026	0.5
136.05196	0.6
136.07576	0.5
137.05997	1.5
143.01906	0.4
145.04996	0.9
149.02806	0.5
149.06026	1.7
151.07555	25.5
157.03487	0.3
161.03046	0.6
162.05482	0.5
162.07625	0.5
164.07089	1.1
165.05460	0.9
165.09100	1.1
167.07063	1.2
176.07086	2.3
177.05444	0.7
177.07748	0.5
177.09106	0.8
178.08598	0.5
179.05795	1.0
182.08160	0.4
184.55035	0.7
193.55435	0.4
194.08144	100.0
194.11757	5.4
195.08496	1.4
218.08078	0.6
236.09180	1.0
247.04764	0.5
295.04346	0.4
310.12827	1.0
321.10315	0.8
325.70093	0.4
356.09705	0.5
356.13281	1.9
356.16989	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	356.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.3
55.01849	0.3
57.03428	0.5
60.05728	0.3
60.79240	0.3
61.02917	0.3
69.03436	1.6
70.09385	0.8
72.32158	0.3
81.03397	0.4
85.02913	4.8
91.05486	5.4
92.70406	0.3
95.04985	1.9
97.02898	1.0
105.07002	0.3
109.02856	0.6
119.04952	5.9
123.08060	0.3
127.03907	0.8
135.08018	0.4
136.05154	0.6
137.06010	0.3
149.05983	1.2
151.07553	25.7
152.07733	0.3
165.05466	0.7
176.07056	2.2
177.05508	0.5
179.05757	0.6
182.51695	0.3
194.08141	100.0
195.08499	1.4
218.08130	0.7
236.09259	0.7
356.13455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30602	0.5
69.36086	2.5
69.36508	1.8
89.77355	0.5
152.06175	0.8
153.07025	0.7
165.07010	1.5
166.07762	0.7
167.07269	0.6
167.08582	2.4
177.07001	1.6
179.07037	0.5
179.08516	1.1
181.06555	0.9
182.07339	0.7
189.65138	0.5
193.06473	0.8
194.09012	0.8
195.08102	4.7
204.05791	0.9
205.06503	6.8
207.08200	0.7
208.05315	1.2
209.05904	1.4
210.06784	0.7
211.07761	0.8
220.05272	0.9
221.05946	1.9
222.06789	1.6
223.07561	7.9
223.12041	0.6
224.08377	0.8
233.05925	6.0
234.06781	2.2
235.07664	2.8
236.04672	1.9
237.05504	2.3
238.06302	1.8
239.07126	0.8
248.04822	0.7
249.05516	1.9
250.06261	1.7
251.07071	17.6
251.99541	0.7
252.07750	1.7
253.08578	2.2
261.05597	1.5
262.06201	1.6
263.07059	2.2
265.04929	1.0
266.05713	3.1
267.06262	0.8
268.07321	0.7
277.04944	0.9
278.05753	4.0
279.06494	7.1
280.07358	2.5
281.08069	5.8
290.05701	0.7
291.06433	4.1
293.04431	1.3
294.05261	8.1
295.05728	0.8
307.06033	8.5
308.06802	26.5
309.04065	1.0
309.07581	15.9
324.06268	1.1
339.08652	100.0
340.09018	2.2
356.11301	4.0
356.15057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71908	3.2
55.05510	35.2
57.07073	23.4
57.63420	3.6
62.06063	3.4
66.17272	4.1
67.05508	45.0
69.07065	35.0
69.88741	18.1
71.04974	11.3
71.08620	13.6
73.04749	7.8
73.79482	2.9
79.05474	5.6
81.07059	72.6
83.08208	4.8
83.08627	48.7
85.10166	10.1
91.05782	16.1
93.07029	8.6
95.08604	100.0
97.10165	29.5
98.67944	3.1
105.07111	3.8
107.08608	4.5
109.10159	57.4
111.11699	12.6
113.95802	3.3
118.03498	3.4
123.11715	28.5
125.13267	5.8
133.10121	3.5
137.13266	6.0
147.69151	3.3
151.14716	4.3
171.50626	3.7
182.99237	3.6
268.97928	4.8
276.09598	3.4
283.61221	3.6
285.00903	10.2
300.94305	4.1
319.33646	6.1
337.34323	4.1
355.06854	4.0
355.28952	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	356.0766
Annotation	Aristolochic acid III methyl ester
Peak:m/z	Relative Intensity
69.71902	5.6
71.36768	0.9
76.79000	0.9
86.57419	1.1
89.63657	1.1
98.21384	2.1
107.78794	1.1
113.12801	1.2
154.06490	1.5
164.04918	2.0
166.06520	2.1
174.05522	2.8
175.06416	1.2
183.06824	1.6
188.03023	1.0
192.04410	2.7
194.06053	10.2
194.10385	1.1
198.05595	2.7
206.05934	1.1
210.05545	3.3
211.06252	6.3
212.03473	1.1
220.03923	6.9
220.99281	1.1
221.04367	1.2
222.05505	8.1
224.07008	1.8
225.04254	1.2
226.05000	3.6
237.04109	2.0
238.04990	7.1
239.05801	3.6
240.06660	4.4
248.03433	1.0
250.05011	86.3
251.05641	2.8
252.06564	7.9
253.03497	1.2
254.04420	1.8
266.04459	7.6
267.05283	18.3
268.05954	1.7
269.06866	1.5
278.04507	64.4
279.05243	16.0
280.05948	8.4
294.04398	2.1
294.07571	12.4
295.04776	73.5
296.05307	3.3
297.06354	13.6
306.03986	67.0
307.04678	1.5
310.07108	100.0
311.07431	2.2
312.08655	14.3
320.05847	2.0
323.04355	2.7
338.06616	56.1
339.07013	1.4
356.07681	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05912	1.7
53.03940	2.3
55.01860	2.9
55.05267	2.9
55.05514	30.8
55.83659	1.8
57.03429	11.1
57.07073	12.1
67.05508	69.0
69.06719	3.8
69.07072	46.6
69.26039	2.1
69.86774	9.5
71.04977	2.3
71.08628	5.2
79.05496	25.9
81.07059	100.0
83.04993	3.8
83.08620	32.2
85.06538	4.0
85.10168	2.5
88.07642	3.1
91.05466	23.4
92.31990	2.0
93.07055	32.2
95.08607	82.6
97.06515	12.2
97.10165	18.0
99.08081	2.8
105.07030	22.2
106.08718	2.0
107.08590	25.3
109.06534	3.0
109.10163	45.1
109.18075	1.9
111.08099	5.3
111.11711	5.8
116.07677	2.4
119.08593	20.4
121.10150	32.0
123.08064	3.0
123.11718	26.6
128.06096	2.1
129.05496	4.2
131.08644	2.2
133.10143	21.9
135.07866	2.0
135.11697	18.0
137.09625	2.4
137.13260	8.6
143.08546	3.2
145.10146	3.1
147.11688	19.3
149.13312	18.9
151.11215	4.2
151.14835	7.7
153.05537	2.7
155.08594	2.2
159.11641	5.6
161.13237	16.0
163.14857	15.7
165.16403	6.2
171.11691	2.7
175.11119	2.2
175.14856	11.3
177.16402	4.4
179.14386	2.7
179.17914	4.8
181.15863	2.3
185.13284	2.1
189.16396	5.5
235.34073	2.1
245.22659	42.8
247.24342	2.4
263.23694	45.7
263.26236	3.9
293.19656	2.1
337.24472	2.1
337.27490	28.0
355.22675	2.3
355.25928	11.2
356.35257	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03950	2.1
55.01865	4.1
55.05264	2.2
55.05514	31.0
57.03426	8.2
57.07084	14.5
59.99339	2.1
65.03945	2.9
67.05509	77.5
67.55692	1.9
69.06722	3.1
69.07073	37.8
69.88629	8.7
71.04996	2.8
71.08623	7.2
73.35432	2.1
77.33867	2.2
79.05498	26.2
81.07060	100.0
83.08627	31.7
85.10181	3.2
91.05475	24.0
93.07053	33.9
95.04936	3.0
95.08614	85.4
97.06523	11.5
97.10180	22.0
99.08077	4.5
103.03948	2.3
105.04452	2.1
105.07032	21.2
107.08616	27.4
109.06551	3.3
109.10164	42.7
111.08077	6.3
111.11688	6.4
119.08598	19.0
121.10161	34.9
123.08064	2.3
123.11716	23.2
123.18087	2.2
125.09637	3.0
125.13224	2.3
130.48416	2.0
131.08511	2.2
133.10141	21.3
135.11681	23.4
137.13263	10.7
143.08589	2.2
145.10089	3.9
147.11737	18.2
149.13255	18.0
151.07477	2.6
151.11221	2.9
151.14832	7.8
159.11713	8.2
161.13257	17.0
163.14848	16.8
165.16409	8.1
175.14827	11.4
177.16254	3.4
177.91484	2.1
179.14319	2.6
179.17903	5.1
181.15817	2.1
189.16357	10.3
203.17865	2.1
217.19554	2.3
245.22662	52.5
245.93906	2.5
246.22986	2.2
247.23949	3.0
263.23703	56.1
296.75107	2.0
309.22189	2.3
337.21289	2.8
337.27420	30.9
355.26071	2.8
355.29745	2.7
356.35202	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.02328	2.8
53.03942	3.2
55.01876	5.3
55.05263	3.5
55.05512	39.7
57.03425	9.6
57.07079	14.6
61.80313	2.4
67.05505	71.8
69.07075	46.6
71.05003	3.6
71.08634	2.8
71.43642	2.4
71.58453	4.4
74.08073	2.2
79.05140	2.8
79.05502	35.4
81.07061	100.0
82.74281	2.5
83.04971	3.2
83.08615	30.4
85.06527	5.0
91.05463	27.1
91.33025	2.3
93.07053	39.5
95.04983	3.1
95.08607	69.7
97.06517	10.9
97.10175	16.0
99.08092	4.2
105.07023	22.2
107.08589	27.4
109.10151	35.5
111.08067	5.7
111.11707	6.2
119.08579	23.6
121.10133	26.7
123.08067	2.6
123.11719	20.2
129.05473	3.0
131.08546	5.8
133.10143	26.2
135.11696	18.4
137.13234	7.9
143.08620	5.6
145.10121	4.2
147.11664	13.4
149.13306	14.9
151.11162	3.6
151.14810	5.9
157.10121	4.9
159.11691	4.0
161.13306	13.2
163.14799	12.6
165.12694	4.0
165.16382	5.9
171.11752	3.3
173.13297	5.5
175.14879	12.5
177.16335	3.6
185.13249	2.7
189.16486	5.6
197.15117	2.6
199.14798	3.5
203.18039	4.0
217.15910	3.4
245.22633	31.6
263.23718	37.0
337.27463	21.7
355.28186	21.6
366.05688	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.77555	3.6
53.11658	4.0
55.01879	4.0
55.05517	32.0
57.03432	5.4
57.07076	9.1
63.26988	3.2
67.05515	71.5
69.07069	42.0
69.90243	20.5
70.99353	3.6
71.08642	5.1
74.27937	3.4
79.05501	30.3
81.07066	100.0
83.04987	5.0
83.08636	28.5
91.05487	20.3
93.07047	36.9
95.08059	6.5
95.08614	86.6
97.06535	10.1
97.10160	17.3
105.07017	17.0
107.08603	23.6
109.10175	45.2
111.11712	12.0
113.60936	4.6
119.08599	13.0
121.10170	33.0
123.11711	23.6
131.08719	3.5
133.10155	23.8
135.11664	23.7
137.13242	11.4
147.11703	16.5
149.13249	15.9
151.14798	7.5
161.13242	13.2
163.14835	16.3
165.04060	4.2
165.16449	5.2
175.14847	13.4
179.17896	4.3
218.03261	4.5
245.22697	58.5
263.23715	45.1
337.27444	26.7
355.28293	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.05515	49.4
57.03442	14.3
57.07082	15.0
65.03928	4.4
66.20528	1.9
67.05508	85.4
68.05840	1.7
69.07075	50.8
70.15470	6.8
70.15839	3.3
71.04980	4.3
71.08620	4.2
79.05499	31.1
81.07062	100.0
83.04984	3.3
83.08620	38.1
85.06543	4.6
85.10174	2.0
88.07644	3.2
91.05468	23.3
93.07057	38.4
95.04952	2.3
95.08613	85.1
97.06524	9.7
97.10176	23.4
99.08128	1.9
105.03391	1.7
105.07044	22.8
107.08610	26.5
107.49789	1.6
109.06515	3.2
109.09456	3.3
109.10162	44.8
111.08066	6.3
111.11747	8.7
113.09683	1.8
114.63805	1.8
117.06992	3.4
119.08585	19.0
121.10148	28.8
123.08125	3.1
123.11713	23.2
125.09647	2.6
131.08577	3.4
133.10146	23.1
135.11699	15.3
137.06023	3.9
137.09579	1.9
137.13248	6.1
139.11140	2.1
141.12659	2.4
143.08516	2.8
145.10196	2.8
147.11682	12.3
149.13272	16.6
151.03938	8.5
151.11180	2.4
151.14819	4.4
153.12717	2.4
155.08566	2.1
157.10057	2.7
159.11766	3.2
161.13297	11.5
163.14824	13.5
165.12851	2.6
165.16396	4.4
165.77049	2.0
173.09641	2.0
173.13185	1.9
175.14809	8.9
177.16432	2.5
179.18021	3.0
189.16405	5.2
217.19571	2.3
245.22667	38.1
247.24097	2.0
263.23727	38.1
322.97098	1.6
323.12732	2.4
337.21353	2.2
337.27530	26.6
355.15430	3.8
355.22607	2.1
355.28357	29.3
355.33951	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	355.2844
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.03948	3.3
55.05516	78.2
57.03191	1.7
57.03444	24.6
57.07081	11.3
58.59042	1.3
65.03938	2.6
67.05509	80.5
69.07073	90.9
69.81676	7.9
71.04987	6.5
71.06937	1.6
71.08630	3.4
79.05501	31.5
81.07063	100.0
83.04984	4.0
83.08624	55.6
85.06586	3.3
91.05468	15.4
92.92079	1.3
93.07048	31.3
95.04985	3.1
95.08614	81.8
97.06565	7.5
97.10183	34.1
98.20766	1.3
99.08099	3.3
105.07044	13.6
107.08607	21.0
109.06501	3.0
109.10162	40.1
111.08104	6.1
111.11742	11.7
117.07021	2.5
119.08587	14.7
121.10150	20.9
121.11026	1.8
123.08091	2.9
123.11707	15.9
125.09630	3.7
127.11200	1.6
131.08632	3.9
133.10130	10.3
134.01190	1.5
135.08142	2.4
135.11717	13.5
137.06010	2.5
137.09628	2.9
137.13310	7.4
139.11226	4.2
143.08575	2.0
145.10155	4.1
147.11702	9.5
149.13263	9.8
151.11177	2.0
153.12752	2.2
157.10135	1.9
159.11664	3.0
161.12148	1.2
161.13226	8.1
163.14807	6.8
165.05539	2.3
165.12782	2.4
167.07065	1.4
167.14352	2.1
173.13332	1.7
175.14838	5.7
177.16383	3.1
183.11752	2.8
189.16374	3.4
245.22694	4.9
263.23727	14.0
281.24814	3.9
323.12857	1.7
337.27417	8.9
355.19003	5.0
355.28506	88.8
355.33871	5.4
356.28909	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.248
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
51.93020	6.3
53.03945	6.2
55.05305	4.9
55.05514	59.5
57.03440	6.4
57.07075	7.6
58.76113	5.0
59.05011	6.5
67.05509	40.4
68.99812	5.3
69.03413	18.0
69.07071	60.9
69.37189	44.7
71.04996	27.9
79.05493	30.1
81.03432	9.6
81.07059	100.0
83.04972	12.9
83.08640	8.1
85.02916	6.4
85.06544	12.5
91.05403	29.1
93.07044	92.3
93.50462	4.8
95.04963	17.0
95.08611	91.3
97.06512	26.1
97.10168	82.5
99.04449	6.6
103.65084	6.2
105.07038	53.9
107.04969	7.4
107.08598	68.1
109.06524	24.7
109.10134	52.7
111.04420	5.8
111.08109	9.2
111.11700	11.8
117.07039	8.9
119.08601	43.6
121.06504	6.5
121.10146	92.6
123.08038	20.1
123.11725	17.3
125.09630	16.4
127.03905	5.9
131.08542	17.2
133.10152	42.4
135.08072	11.8
135.11696	48.0
137.05946	15.6
137.09630	17.7
137.13269	7.8
139.11211	23.9
143.08543	10.3
143.10686	14.6
145.10117	26.5
147.11691	19.0
149.09637	7.4
149.13280	21.1
151.07564	15.5
151.11186	15.2
153.09135	6.3
153.12752	13.4
155.10803	5.6
157.10135	9.5
157.12242	14.3
159.11690	28.6
161.09598	7.7
161.13243	10.8
163.07570	9.4
163.11232	21.6
167.07013	9.7
167.14287	8.4
173.09657	6.1
173.13223	5.3
175.07513	8.4
175.11185	11.0
175.14758	7.6
178.07712	5.4
179.08395	7.4
181.06548	4.9
181.12193	17.9
185.13179	7.2
189.12680	6.8
205.06425	8.0
205.08461	5.3
207.08055	7.0
207.13889	6.7
208.08585	5.3
209.15305	7.0
217.06528	6.0
220.05376	6.2
231.08229	6.2
234.06647	7.2
263.06650	7.0
273.22183	10.7
279.06390	9.0
285.01202	7.5
289.21448	13.9
291.23270	8.2
295.09662	12.0
297.07547	5.6
301.21683	26.8
305.08105	7.7
307.22546	5.7
319.22751	30.4
323.09198	15.7
355.07379	10.9
355.11758	41.0
355.15225	10.1
355.25461	6.9
356.11740	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	355.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42152	4.5
51.63309	4.7
53.03942	11.0
55.05507	14.3
57.03447	9.3
59.05000	11.5
65.03963	6.0
65.75960	4.1
67.05516	42.0
69.03436	39.5
69.07080	23.5
70.25367	8.0
71.04974	9.4
75.79742	4.3
79.05492	31.0
79.60738	5.1
81.03400	19.9
81.07058	33.6
83.04985	70.5
83.08629	4.9
85.02892	26.5
88.20030	4.3
91.05501	18.2
93.07066	31.1
95.04977	67.8
95.08601	45.8
97.02891	14.5
97.06528	11.6
99.04440	12.9
103.03966	5.9
104.59749	4.8
105.07024	23.3
107.04958	10.6
107.08604	30.4
109.02850	4.6
109.06526	20.9
109.10168	73.0
111.04415	7.2
117.07005	11.0
119.08586	27.7
121.06498	11.5
121.10164	27.1
123.08077	10.6
125.06033	9.7
127.03905	16.0
131.08585	11.4
133.10141	23.8
135.08066	32.8
135.11734	21.5
137.05946	6.3
137.08664	7.7
137.09628	100.0
137.10506	3.7
139.11139	5.4
143.08534	6.2
145.10156	10.9
147.08063	8.5
147.11662	11.5
149.05928	8.9
149.09637	13.1
151.11269	6.3
159.11711	7.1
161.09662	6.4
163.07518	5.4
163.11188	5.5
165.09099	11.4
167.06984	5.5
173.09679	6.4
173.13313	8.3
175.14798	17.1
177.09099	6.9
179.10666	19.1
189.12726	5.3
191.14287	9.2
193.15929	34.1
201.09094	12.1
209.15327	5.8
223.05791	4.8
235.16986	16.2
250.04961	11.1
251.05334	49.7
278.04572	5.4
279.04803	27.6
281.06717	5.3
293.06384	49.4
299.14932	5.5
301.17935	12.4
307.04315	33.2
309.05933	41.5
311.07623	8.7
319.19046	7.6
337.05487	28.5
337.20129	7.0
355.06369	21.2
355.21198	25.0
359.94699	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	355.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.0
55.01870	11.3
55.05503	22.1
57.03418	18.0
59.05007	7.0
67.05501	49.0
68.69743	5.1
69.03436	43.1
69.07076	25.5
71.05000	11.2
71.57470	6.0
74.35204	5.2
79.05499	19.3
81.03420	21.3
81.07054	37.4
83.04992	62.4
85.02904	31.4
85.06564	6.6
91.05488	24.4
93.07060	33.3
95.01382	8.9
95.04973	59.6
95.08611	54.8
97.02908	13.1
97.06524	8.9
99.04456	15.6
103.05495	6.6
105.07033	34.0
107.04962	10.0
107.08585	35.8
109.06535	22.4
109.10159	68.8
111.04500	6.3
111.08083	6.8
114.82835	5.3
115.05449	6.9
117.07051	5.3
119.08595	20.6
121.06524	20.3
121.10166	20.7
123.04414	8.1
123.08089	14.4
123.11712	10.6
125.05980	5.9
127.03914	21.4
131.08601	17.9
133.10146	25.9
135.08067	27.9
135.11690	29.3
137.05960	11.0
137.09612	100.0
139.11177	6.9
145.06593	5.6
145.10121	14.6
147.08096	8.0
147.11707	11.9
149.09618	12.7
151.07568	6.6
151.11154	9.2
153.09111	5.1
154.95064	5.2
155.10699	10.0
161.09561	5.9
163.07588	7.5
165.09120	8.3
165.12740	5.6
167.06946	8.0
173.13322	12.2
175.11131	9.8
175.14894	15.0
177.09189	7.7
178.08803	5.8
179.10695	22.9
185.08157	6.6
189.16400	6.5
191.14307	6.5
193.15881	43.7
201.09106	20.2
207.08189	5.6
219.10170	5.6
235.16939	12.0
245.11623	11.8
250.05034	5.6
251.05360	17.3
267.04999	5.6
279.04800	8.5
285.01102	8.7
293.06403	12.3
296.05188	7.1
299.08408	6.7
301.18042	10.5
307.04443	9.1
309.05801	19.2
311.07486	6.4
319.19226	11.1
327.07736	23.6
337.05069	6.7
337.20209	9.8
355.07004	29.7
355.12866	15.7
355.21198	24.0
379.94824	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	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05502	9.1
56.05027	3.1
57.07082	18.1
57.93451	2.6
58.06604	18.0
60.04522	5.9
67.05492	9.7
69.07082	19.7
70.06583	7.9
70.65796	7.0
71.08620	8.9
72.04507	2.8
72.08152	2.7
81.07069	16.5
82.06602	2.8
83.08620	13.5
84.08148	6.9
85.10172	4.2
86.06068	5.8
91.05798	6.2
93.07037	6.1
95.08598	10.4
97.10184	7.8
107.08570	3.2
109.10173	10.8
123.11746	3.5
125.13292	2.9
197.90039	2.8
285.00928	3.5
295.04822	3.0
306.31641	2.8
326.34140	6.1
336.32755	15.7
337.31519	3.0
354.33676	100.0
355.34100	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	CHEMBL556429
Peak:m/z	Relative Intensity
53.03937	3.0
55.01866	2.0
65.03945	0.8
67.05504	2.0
69.03421	1.7
71.55508	1.1
77.03919	1.4
79.05502	7.3
81.07045	2.8
91.05476	12.3
93.07066	3.9
95.04969	2.7
95.08580	2.2
102.04688	0.9
103.05474	42.4
104.06240	1.2
105.03486	0.8
105.07040	36.6
107.04974	9.8
107.08566	1.2
108.05767	2.1
109.06493	2.7
109.10152	1.3
115.05450	12.5
116.06175	0.8
117.07005	6.7
118.04176	2.9
119.04950	4.9
119.08588	1.5
121.06522	12.9
121.10137	0.9
122.03629	1.6
123.04414	1.8
123.08082	5.5
124.05248	1.9
128.06255	1.6
129.07002	2.2
131.04936	54.1
132.05684	2.8
133.06503	39.7
135.04362	0.8
135.08061	2.6
136.05211	3.4
137.05988	19.8
138.06773	1.8
141.07005	2.4
143.04915	3.4
143.06062	1.9
144.05698	2.2
145.06493	13.5
147.04439	10.0
149.06001	3.9
150.06758	1.2
151.07555	26.1
152.04695	2.2
153.05455	2.0
155.06049	1.0
156.05716	1.5
157.06480	1.3
160.05206	2.8
161.05995	32.3
162.06633	1.0
163.07556	84.2
164.07877	1.2
165.06984	1.2
165.09148	1.3
166.06241	2.7
167.07053	26.8
169.06563	1.4
171.08153	1.0
172.05241	3.0
172.85608	0.8
173.06044	5.6
174.06746	1.1
175.07530	7.4
177.06941	0.9
177.07500	0.9
177.09100	9.1
178.06305	2.3
179.07056	11.0
179.08557	1.5
181.08615	28.3
181.10213	1.6
186.06830	1.2
187.07556	9.7
189.09134	1.6
190.07843	0.9
191.06969	1.3
191.08577	1.4
193.08621	100.0
194.08876	1.3
195.08093	2.1
201.09128	3.0
202.07809	2.9
203.08594	6.3
205.06577	1.9
205.08655	5.5
217.08607	2.5
219.08058	3.3
219.10083	0.9
220.08786	4.7
223.07562	1.8
231.08102	6.4
231.10092	1.2
233.05855	1.3
233.09651	2.0
234.06644	1.0
235.07578	1.9
235.11157	3.8
237.09183	1.2
245.09604	2.2
247.07655	3.3
248.08386	4.5
249.09198	2.3
251.07024	4.8
251.10805	1.0
253.08649	1.0
259.07547	2.5
262.06326	1.5
262.10022	1.6
263.10712	11.0
265.08609	2.3
273.08926	0.8
276.07794	1.8
277.08557	1.7
278.05798	1.8
279.06729	1.9
279.09918	1.2
280.07471	1.6
280.10989	3.1
281.08102	1.6
291.10135	9.3
293.08093	1.7
295.09964	1.4
295.13293	8.1
297.11264	1.0
305.11737	1.1
307.06116	2.1
308.06766	4.5
308.10431	2.4
309.07553	2.3
309.11069	1.7
323.09363	1.1
323.12784	23.8
323.16739	1.1
324.13364	2.1
325.10602	2.0
337.14368	1.1
339.08643	16.7
340.13034	3.7
355.15442	58.1
356.11694	1.4
356.15732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1701
Annotation	Dihydropalmatine
Peak:m/z	Relative Intensity
53.03923	0.4
54.84157	0.5
55.05508	0.5
55.78695	0.4
57.00576	0.4
67.05505	0.6
68.05010	1.0
69.58646	3.5
79.05495	0.6
81.07056	1.0
91.05493	3.2
93.07037	0.7
95.04991	0.6
95.08581	0.5
103.05512	1.0
105.07033	2.3
106.07357	0.5
109.06541	0.5
115.05463	7.9
117.06999	1.2
119.04963	0.5
121.06511	52.7
122.06853	0.7
123.07934	0.4
133.06503	1.9
134.06015	0.4
135.04468	0.6
135.08046	4.6
137.05968	4.8
143.04924	8.3
144.05682	2.4
145.06477	1.1
147.04382	0.9
147.08049	0.6
150.06779	1.1
151.07545	2.2
152.81306	0.5
154.06506	1.1
159.08075	4.0
160.05208	1.3
161.05995	0.8
161.09645	0.6
162.05518	1.2
162.06766	1.1
163.06325	5.3
163.07559	1.1
165.06981	0.6
166.15479	0.5
168.08076	3.5
169.08887	10.6
172.07579	3.2
175.07590	5.3
176.07118	2.6
177.07840	3.9
178.08659	16.9
182.06012	0.6
183.11404	0.5
184.07587	1.0
185.08365	1.1
186.09140	2.9
188.07133	0.5
189.07864	0.9
191.08517	0.7
196.07549	0.7
197.08366	45.6
198.08786	1.1
200.07053	3.2
201.07736	0.5
202.08669	0.8
204.10258	3.9
208.08801	1.7
214.08638	6.6
215.09422	39.3
216.10115	3.7
218.08070	0.7
221.09502	0.6
223.11185	2.5
232.09747	5.3
233.10451	9.3
235.07410	0.6
236.08162	0.7
249.09152	0.7
251.10709	3.0
253.08604	1.5
268.10916	0.6
283.13290	4.3
299.12921	1.0
310.14380	5.4
336.15973	1.7
354.17017	100.0
355.17386	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	354.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52267	0.9
59.73206	1.0
63.89825	0.7
64.08608	0.8
68.99797	2.1
70.84013	2.1
70.84366	1.4
80.16876	0.9
93.75532	0.8
94.75173	0.9
95.79218	0.8
97.88827	0.8
101.85942	0.9
164.04985	2.7
166.06589	2.1
178.06569	1.2
192.04431	2.0
194.06030	9.2
196.07587	1.6
198.05504	1.2
206.05989	1.5
207.87450	0.9
208.07594	1.8
210.05484	3.0
220.03990	9.6
222.05515	15.9
223.06216	1.7
224.07085	2.7
226.05048	2.3
234.05563	6.2
235.06238	1.4
236.07085	2.6
238.04913	4.0
248.03491	1.5
250.05011	95.4
251.05733	3.4
252.06615	6.0
254.04482	1.8
262.05069	6.2
264.06601	5.0
266.04602	1.3
274.98544	0.8
278.04507	68.3
279.05206	3.2
280.06073	10.5
282.04211	2.1
282.07614	3.1
292.06055	100.0
294.04214	1.0
295.04846	1.8
306.03992	80.3
307.04309	1.3
308.05548	91.0
309.05966	1.2
310.07086	16.7
336.05029	67.1
337.05338	1.1
354.06116	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.5
66.91441	0.5
67.05490	0.6
69.03435	2.0
71.39876	0.5
73.02912	0.6
79.05500	0.8
80.86045	0.4
81.03411	1.4
85.02900	2.8
87.04471	0.6
91.05486	1.6
94.06570	4.6
95.04973	0.6
97.02922	1.7
117.05731	0.8
118.06567	6.4
122.06041	5.8
127.03933	0.9
133.02805	0.6
134.05978	0.8
136.07494	0.5
146.06024	13.6
148.07620	0.8
150.05510	1.3
162.05522	0.8
164.07077	6.9
174.05521	100.0
175.06058	1.4
176.07076	1.1
181.08783	0.5
192.06569	53.3
192.10118	3.2
193.04974	4.0
234.07552	0.5
250.04892	0.8
282.07678	0.9
295.04791	2.2
310.07077	1.6
336.10745	1.0
339.12164	0.6
354.11801	44.1
355.12323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1183
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.06668	0.2
54.10770	0.1
69.03416	0.3
70.06602	0.3
71.56009	0.2
85.02901	0.9
89.29203	0.2
92.10822	0.2
97.02849	0.2
107.70329	0.2
108.86771	0.2
132.04456	1.2
146.06032	0.3
149.04741	0.6
157.08557	0.2
160.03935	3.2
174.05510	5.5
175.06261	0.3
177.04219	4.7
190.05032	0.2
192.06558	100.0
193.05051	0.4
193.06879	1.2
234.07642	0.3
295.04816	0.3
310.07047	0.2
354.11835	1.7
354.18896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.01864	0.2
56.96558	0.5
57.03434	0.2
61.02917	0.2
65.03925	0.3
68.99763	0.2
69.03417	0.7
69.69585	0.9
70.06583	0.3
72.08159	0.2
73.02911	0.4
79.05482	0.2
81.03446	0.2
85.02911	0.9
91.05837	0.2
97.02885	0.3
98.97581	0.6
111.04433	0.4
116.98677	0.3
120.08117	0.3
127.03960	0.3
129.63760	0.2
132.04404	0.3
136.06183	0.3
137.05930	0.3
139.03911	3.3
140.04279	0.5
141.94577	0.2
146.06018	0.4
149.04721	0.8
151.07549	0.8
163.06239	0.2
164.07001	0.3
174.05510	0.4
177.04222	16.0
177.07770	0.8
178.08630	1.2
186.47968	0.2
190.08603	0.2
192.06567	100.0
193.06921	1.2
204.10274	1.1
216.10222	0.4
218.08206	0.2
219.01575	0.2
336.14423	0.7
354.11703	2.0
354.15503	8.5
355.15518	0.4
365.01855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.1
55.01875	2.3
55.05516	18.0
57.03432	3.4
57.07077	7.2
58.06600	6.4
62.86743	1.9
65.03938	2.9
67.05511	95.0
69.03433	2.2
69.07082	18.9
69.40218	7.0
69.40646	7.9
71.04994	4.0
71.08640	7.3
79.05499	59.6
81.03434	2.6
81.07065	100.0
83.04984	4.0
83.08632	11.6
85.06550	4.8
85.10196	3.4
91.05488	36.5
91.06020	3.3
93.07053	81.8
95.04973	5.5
95.08616	76.5
95.09244	3.2
97.06538	7.0
97.10161	4.5
99.08099	6.4
105.07035	28.5
107.04943	2.2
107.08603	47.2
108.08952	2.2
109.06503	4.8
109.10170	30.3
110.10531	2.7
111.08111	1.9
113.09666	4.2
117.07039	13.4
119.08591	24.1
121.06564	3.0
121.10155	41.2
122.10476	1.8
123.08121	3.0
123.11729	14.1
129.07050	3.6
130.07806	2.1
131.08586	28.6
133.10135	18.5
135.08064	3.8
135.11700	26.5
137.05995	1.9
137.09621	4.1
137.13251	7.2
141.06886	1.7
142.82855	1.8
143.08615	3.8
145.10110	25.5
147.11702	14.1
149.09648	3.8
149.13274	24.4
151.03940	4.5
151.11166	2.1
151.14850	4.3
153.12779	2.6
154.12251	12.0
155.12619	6.3
157.10133	6.3
159.11708	17.2
161.09634	2.0
161.13260	14.0
163.11206	2.6
163.14824	19.0
165.06992	1.9
167.07094	2.1
169.10117	2.3
171.11633	3.3
172.13344	7.0
173.09624	3.0
173.13290	18.3
175.14841	3.8
177.12819	3.1
177.16422	7.1
179.08592	2.0
179.14259	1.8
187.11201	2.4
187.14812	11.7
189.16418	1.8
191.08571	1.9
196.13336	3.4
197.13576	5.1
201.16426	5.6
202.07719	2.0
203.08534	2.2
205.00752	2.2
215.08617	2.3
215.14482	2.6
219.08055	3.2
221.09648	2.5
227.99887	2.0
231.08177	2.5
232.08804	3.5
233.09575	3.3
233.19069	2.8
233.22641	8.2
235.07623	3.0
243.21101	34.5
247.07298	2.5
249.09233	2.5
251.17828	1.9
261.09378	3.2
261.22177	78.6
262.09943	2.5
262.22565	2.6
263.07092	3.2
275.10651	9.1
276.20340	2.4
278.09317	4.3
279.23346	2.6
289.08621	2.2
291.10226	4.4
292.10880	4.3
293.11758	5.1
293.23013	2.0
303.10141	4.4
306.09000	4.1
307.09830	2.3
321.11230	47.2
322.11835	7.0
335.26120	3.4
353.13992	12.8
353.17813	3.5
353.24646	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.05299	1.6
55.05515	18.8
57.03433	5.0
57.07070	5.6
63.44749	1.7
65.03938	4.0
67.05508	89.8
69.07072	20.0
69.66795	10.2
71.04984	4.3
71.08636	2.6
79.05495	56.3
81.07061	100.0
83.04974	4.7
83.08611	7.0
85.06533	3.7
91.04975	1.8
91.05488	26.3
93.07050	60.1
95.04988	3.3
95.08616	70.9
97.06529	4.8
97.10178	5.2
99.08083	2.6
100.90132	1.5
105.07030	24.0
106.07299	1.6
107.08599	43.4
108.09019	1.6
109.06504	2.5
109.09467	2.2
109.10165	32.8
111.08093	2.7
112.42565	1.5
113.67213	1.6
117.07045	11.1
119.08597	19.9
121.10154	36.0
123.11716	23.7
125.09621	2.0
129.06985	2.3
131.08580	23.6
133.10141	19.1
135.08083	10.8
135.11693	24.5
137.13254	7.9
139.11229	1.9
143.08566	1.7
145.10135	19.5
147.11734	12.0
149.06007	1.9
149.09615	2.6
149.13257	20.1
153.12782	2.1
155.08519	2.3
157.10118	2.1
159.11702	16.2
161.09584	1.5
161.13272	10.6
163.11266	2.0
163.14865	12.6
171.11636	1.7
173.13297	18.5
175.14857	4.9
177.16376	2.7
179.14313	3.5
187.14839	11.3
189.16429	1.8
191.14320	2.5
201.16348	4.0
205.15820	2.4
219.17601	1.9
222.43279	1.5
233.19012	1.8
233.22585	2.6
243.21097	24.1
261.22156	98.3
262.22430	2.0
279.23172	4.1
324.83856	1.6
325.25470	1.7
335.25806	5.6
353.27435	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.23737	1.3
53.03938	3.3
55.05511	19.1
57.03436	7.0
57.07064	4.6
65.03926	2.0
67.05508	100.0
69.07071	16.6
69.90404	7.4
71.04992	2.8
71.08631	2.9
74.29752	1.4
75.04460	1.8
79.05498	42.1
81.07063	97.2
82.07372	1.9
83.05003	2.1
83.08625	10.2
85.06539	2.2
91.05483	21.2
93.07054	59.4
95.04932	2.5
95.08612	77.5
97.06528	2.7
97.10172	5.7
99.08125	2.3
105.07037	18.3
107.08600	37.7
108.96831	1.4
109.10166	41.8
111.08088	2.0
111.11700	1.7
113.09672	2.2
117.07037	8.8
119.08598	18.3
121.10149	35.2
123.08074	2.4
123.11713	24.2
125.09656	1.3
126.51647	1.3
131.08563	18.4
131.45708	1.6
133.10124	12.4
135.08090	1.7
135.11696	27.9
137.09590	3.0
137.13269	8.6
139.11200	2.2
145.10124	17.7
147.11674	14.0
149.13274	24.9
151.14847	1.8
155.08524	2.3
159.11693	14.6
161.13210	9.8
163.11214	1.5
163.14833	13.5
171.11819	1.8
173.13255	17.8
175.14848	5.1
177.12737	3.1
177.16420	4.1
179.14299	2.3
187.14882	7.0
201.16397	3.0
205.15913	1.9
215.17982	2.0
219.21199	1.4
233.22636	3.6
243.21092	22.2
261.22168	87.7
262.22574	2.8
279.23248	5.1
317.24792	2.0
335.25888	13.9
336.51352	1.4
353.27039	19.0
353.30627	2.5
366.45401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	3.8
54.83805	1.2
55.05515	15.4
56.36647	1.3
57.03421	4.6
57.07069	5.4
59.24356	1.1
62.98780	1.1
65.03931	2.9
67.05508	100.0
69.07067	12.4
69.39535	8.7
69.39940	2.0
71.04993	2.5
75.04460	1.2
79.05495	44.5
79.05963	2.2
81.07059	93.8
83.04972	1.9
83.08614	8.0
85.06532	3.0
91.05489	24.1
93.07050	65.5
94.95773	1.6
95.04956	4.9
95.08612	65.4
97.06546	2.5
97.10160	3.7
98.20815	2.5
99.08080	2.9
105.06377	1.7
105.07034	18.6
107.08607	41.2
109.10166	29.6
113.09655	1.4
117.07002	9.6
119.08595	14.9
121.09314	2.6
121.10151	37.1
123.08080	1.9
123.11723	19.8
131.08569	23.1
133.10139	14.1
135.11703	24.1
137.13239	7.7
145.10135	15.2
147.11671	12.5
149.13272	18.4
151.14812	1.3
154.61313	1.3
159.11702	14.7
161.13248	8.7
163.14835	12.2
166.03654	1.2
173.13239	16.3
175.14842	3.9
177.16382	5.3
182.57207	1.2
187.14790	11.2
201.16396	3.1
233.19009	1.6
233.22621	4.5
243.21094	23.2
261.22156	93.9
262.22443	3.4
279.23364	2.4
335.25797	5.7
338.75073	1.3
353.26910	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.73247	0.8
53.03943	2.9
54.46096	0.8
55.01876	0.9
55.05270	0.8
55.05518	13.3
57.03437	4.7
57.07077	5.1
59.73231	0.8
65.03934	3.1
66.04721	0.8
67.05508	93.0
69.06723	0.9
69.07070	12.6
71.04990	2.6
71.08628	1.4
75.04468	0.9
79.05495	48.9
81.07060	97.2
83.04988	1.2
83.08617	8.7
85.06535	3.0
91.05481	21.8
92.05779	0.8
93.07047	64.7
95.04963	2.7
95.08611	70.9
97.06535	3.4
97.10170	3.8
98.21585	1.7
99.08105	2.3
105.07036	23.2
107.08599	41.2
108.08978	0.8
109.06533	1.9
109.10158	36.9
111.08068	2.1
111.11707	1.1
113.09692	1.0
115.03831	0.7
115.72675	0.9
117.07015	11.7
119.08588	15.4
121.10148	34.4
123.08052	1.8
123.11719	21.7
125.09599	1.8
127.11154	0.8
129.07005	1.3
131.08571	22.9
133.10143	14.9
135.11696	29.9
137.09602	2.1
137.13246	8.5
138.46651	0.8
139.11203	1.2
140.34041	0.8
141.08897	0.9
145.10130	16.7
147.11697	11.9
149.13264	21.4
151.11177	1.4
151.14865	2.2
153.12782	1.2
159.11720	15.3
161.13281	9.8
163.11128	1.1
163.14859	12.2
165.04532	0.9
165.12749	1.3
173.13286	18.6
175.14810	3.7
177.12662	0.9
177.16400	5.3
179.14328	2.2
187.14841	9.7
189.16377	0.9
191.14304	1.7
201.16345	3.5
205.15880	1.7
215.17941	1.1
219.17503	1.1
233.22610	6.3
243.21088	23.2
261.22156	100.0
262.22534	3.2
263.23782	1.0
279.23203	4.8
305.50134	0.8
335.25909	6.0
353.22971	1.3
353.26935	23.7
354.27380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.01882	0.7
55.05516	12.7
57.03437	5.0
57.07080	3.6
57.51620	0.4
59.05036	0.5
65.03949	3.4
67.05510	91.0
69.07072	13.3
71.04998	2.1
71.08633	1.7
71.57160	0.6
75.04494	1.4
77.03952	1.0
79.05011	0.6
79.05138	0.6
79.05500	42.5
81.07064	100.0
82.07410	0.8
83.04992	1.5
83.08627	6.3
85.06551	2.1
85.10178	0.5
91.05487	18.1
93.07053	54.1
95.04967	3.3
95.08614	72.0
96.08945	0.7
97.06544	2.9
97.10175	3.7
99.08108	1.9
105.07035	17.7
107.08602	32.1
108.08932	0.7
109.06569	2.3
109.10165	36.5
111.08086	1.6
111.11753	0.6
113.09672	1.3
115.26675	0.4
117.07031	9.0
119.08587	15.3
121.10153	29.9
123.08090	1.4
123.11716	22.2
125.09637	1.0
129.07047	0.6
130.07890	0.6
131.08583	18.2
133.10141	10.4
135.08134	0.6
135.11708	24.9
136.12001	0.7
137.09650	1.5
137.13249	7.3
137.14221	0.6
139.11195	1.5
143.08638	0.8
145.10132	14.5
147.11710	10.7
149.09628	1.1
149.13274	17.6
151.11209	1.2
151.14781	2.2
153.12794	1.3
155.08673	0.5
157.10190	0.7
159.11716	13.3
161.13284	9.4
163.11238	1.6
163.14828	10.9
165.12801	1.7
165.16469	0.6
171.11702	0.5
173.13271	13.4
175.14851	2.8
177.12778	1.5
177.16383	3.7
179.14349	1.3
185.09590	0.5
187.13196	0.6
187.14835	9.5
189.16505	0.7
191.14310	0.9
201.16397	2.9
205.15997	2.0
209.15488	0.5
215.17914	1.0
219.17500	1.0
229.09021	0.5
233.19244	0.5
233.22617	4.1
243.21107	21.1
261.22165	83.9
262.22516	2.0
263.23865	0.5
264.39291	0.5
279.23224	6.6
317.24741	1.0
335.25833	9.7
353.26950	21.8
354.27322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01879	0.9
55.05517	13.9
57.03441	6.0
57.07081	4.2
59.04970	0.7
65.03957	3.5
67.05508	89.0
69.07076	10.9
69.80999	0.7
71.04988	3.0
71.05391	0.8
71.08619	1.4
74.76614	0.7
75.04479	1.4
79.05496	44.5
81.07061	100.0
82.07398	1.7
83.04994	1.8
83.08617	5.8
85.06535	1.7
91.05480	22.2
93.07048	49.5
95.04988	2.4
95.08611	69.9
96.08906	0.8
97.06532	3.4
97.10182	3.0
99.08095	1.0
105.07037	15.7
107.08598	33.6
109.06525	1.3
109.10163	36.3
110.10499	1.1
111.08116	1.7
111.99615	0.7
113.09650	1.1
117.07020	7.3
119.08590	14.1
121.10147	27.0
123.08096	1.2
123.11720	18.4
125.09669	1.7
127.07515	0.8
131.08577	19.3
131.09520	1.5
133.10132	11.9
134.10507	0.8
135.11700	21.9
137.09625	1.3
137.13255	6.0
139.11220	1.5
145.10130	12.4
147.11700	10.7
149.09750	0.7
149.13266	17.1
151.11240	0.9
151.14877	2.3
153.12817	1.4
159.11714	13.3
161.13245	8.5
163.11166	1.2
163.14827	10.8
165.12798	1.4
173.13280	15.9
175.14862	2.4
177.12892	0.9
177.16403	4.4
179.14352	1.2
187.14851	8.2
191.14230	1.1
201.16415	1.9
215.18044	0.9
219.17499	1.5
223.17015	0.7
229.11949	0.8
233.19055	0.9
233.22690	3.9
243.21097	19.2
261.22153	76.3
262.22675	2.5
263.23935	1.4
263.85074	0.7
279.23090	5.7
311.10709	0.8
320.30698	0.9
335.25812	10.1
353.26926	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	4.5
55.01846	3.8
55.05514	19.0
56.65917	2.3
57.03438	5.1
57.07070	6.2
65.03955	4.6
67.05510	95.5
69.03426	4.1
69.07071	16.9
71.04982	3.0
71.08636	3.0
75.04474	2.4
76.82903	2.1
79.05499	45.4
81.06578	4.8
81.07063	100.0
83.05010	3.3
83.08639	9.1
85.06568	6.6
91.05494	33.7
93.07053	61.3
95.02882	2.6
95.04968	6.5
95.08616	80.8
96.08930	4.8
97.06541	6.3
97.10149	5.9
99.08093	3.2
103.69688	2.8
105.07041	33.1
106.07453	2.7
107.04961	4.2
107.08606	45.7
109.06537	4.9
109.10160	37.5
111.04433	3.7
111.08102	4.0
117.07037	13.6
119.08584	31.1
120.08903	2.9
121.06467	2.9
121.10150	36.1
123.08049	3.3
123.11732	21.0
125.05994	3.1
128.06235	2.9
129.07021	5.5
131.08566	23.4
133.10143	18.8
135.04396	2.4
135.08047	6.8
135.11710	26.0
137.05991	4.2
137.13309	7.3
143.08582	7.2
145.10138	23.9
147.11702	16.3
149.09610	4.3
149.13286	23.9
151.03928	6.6
151.11218	3.1
151.14886	2.7
155.08569	5.2
157.10130	8.8
159.08046	4.2
159.11707	19.0
161.13237	12.5
163.07593	2.8
163.11298	3.1
163.14839	15.1
167.07074	4.0
167.08408	3.5
169.10138	6.3
171.11667	4.6
173.13278	19.2
175.14827	5.4
177.16449	2.7
181.10139	3.4
183.11806	5.1
185.09595	2.7
185.13266	3.5
187.14848	11.6
189.09207	4.1
191.10677	3.6
193.10155	2.6
197.09512	3.3
197.13231	3.0
199.11053	2.6
199.14827	4.3
201.16376	3.6
205.15857	3.0
209.09926	2.3
209.13330	2.8
211.11079	3.3
211.14838	3.5
225.16344	2.6
243.21054	18.8
261.22174	73.6
279.23407	4.7
295.09891	3.9
300.20483	6.5
307.24109	3.0
317.21271	4.5
318.21552	5.1
321.11234	4.2
335.25931	4.9
353.13864	4.5
353.17618	6.5
353.20850	5.5
353.24850	12.3
353.27216	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.05518	19.1
57.03436	7.3
57.07066	7.6
60.12141	2.0
65.03931	4.1
67.05511	95.4
68.64205	2.6
69.03421	3.1
69.07075	20.6
69.46963	17.6
71.04987	4.0
71.08270	3.2
71.08636	20.6
79.05503	50.3
79.75723	2.7
81.06584	5.4
81.07063	100.0
83.04972	4.2
83.08619	10.3
85.06544	4.5
91.05491	26.0
93.07053	66.7
95.04981	4.0
95.08613	88.1
97.06550	4.0
97.10159	7.7
99.08095	15.7
105.07036	32.7
107.08614	53.1
109.06503	3.7
109.09453	4.1
109.10159	44.6
113.09652	2.2
117.07025	11.9
119.08607	26.7
120.27563	2.3
121.10152	37.1
122.10436	2.8
123.08102	2.8
123.11723	23.4
125.09639	4.7
131.08572	31.1
133.10107	15.5
135.08043	5.4
135.11714	33.7
137.13275	8.9
143.08553	5.8
145.10136	19.7
147.11671	23.6
149.13257	23.7
153.12738	2.6
157.10110	3.9
159.07867	2.9
159.11699	21.5
161.09627	3.8
161.13252	15.9
163.11250	3.4
163.14850	11.8
165.12755	4.4
169.10130	3.2
171.11737	3.7
173.13278	20.3
175.14844	4.4
177.16350	4.2
183.11784	3.4
185.13182	2.7
187.14796	9.8
187.87617	2.2
199.14746	2.6
201.16376	4.2
233.22754	4.4
243.21092	26.4
261.22153	92.8
279.23120	8.2
317.31161	2.5
330.76010	2.9
331.53220	2.3
335.25922	7.4
353.13721	3.5
353.21002	3.7
353.27502	24.3
354.33533	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	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
58.09690	2.2
66.26525	2.4
70.96819	4.5
71.61588	2.3
81.70751	2.3
85.85780	2.4
102.90707	2.3
159.53108	2.9
353.08475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05511	12.0
57.03433	5.9
57.07076	4.5
59.02208	2.2
61.36370	2.3
65.03933	3.9
67.05508	98.6
69.05289	2.3
69.07071	12.0
70.03439	7.8
71.05001	2.6
71.20447	2.1
72.15580	2.1
75.04466	2.4
79.05499	50.0
81.07061	100.0
83.08617	9.2
85.06555	4.3
91.05468	31.4
93.07047	67.7
95.04987	3.7
95.08617	80.6
97.06532	5.6
97.10182	4.2
99.08076	2.8
105.07041	24.4
107.08601	43.9
109.06544	4.2
109.10165	38.5
117.07039	13.5
119.08577	18.8
119.89377	2.3
121.10137	34.9
123.11700	19.7
125.18827	2.2
131.08583	25.4
133.10187	12.8
135.08005	2.4
135.11708	28.9
137.13269	7.0
145.10091	12.0
147.11739	10.9
149.13274	21.9
151.14813	3.0
153.12773	3.0
159.11667	15.8
161.13272	10.4
163.14835	12.5
173.13277	17.7
175.14828	2.3
177.16452	6.2
179.14258	2.8
187.14856	8.0
191.14334	2.7
201.16380	3.4
219.72806	2.6
233.22701	5.4
243.21135	23.4
261.22159	91.2
279.23315	5.3
335.25784	6.7
353.27243	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	352.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
57.03432	2.7
61.02917	3.0
64.40053	1.6
66.94180	1.8
67.43868	1.9
69.03436	4.6
70.80235	2.1
70.80561	4.2
73.02938	3.2
76.26913	1.8
77.64194	1.9
84.08128	2.0
85.02901	6.6
85.09032	2.0
97.02911	4.8
98.97597	7.6
99.79526	2.0
116.05030	3.2
116.98670	2.7
137.06024	2.8
138.06308	2.0
139.03922	4.9
146.06149	2.6
159.38751	2.1
162.05510	87.0
167.07127	3.6
172.09650	4.2
173.03165	2.2
175.06339	3.7
179.17078	2.2
190.05003	100.0
190.08617	25.7
191.05331	2.4
210.02014	1.7
310.08859	5.0
320.84387	2.3
352.10468	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	352.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
67.05485	0.9
69.03419	1.1
70.06605	0.5
71.57883	0.5
72.08142	0.6
77.03958	0.3
81.07054	0.5
85.02895	1.0
95.04952	1.0
95.08567	0.5
97.02856	0.4
99.04453	0.5
105.07010	0.4
108.04858	0.3
109.10160	0.6
110.10460	0.4
123.11685	0.6
124.07602	0.9
124.12028	0.4
124.56717	0.3
127.03831	0.3
127.07565	0.9
139.05426	1.5
140.04970	1.2
144.38678	0.3
147.11717	0.4
154.06511	0.5
155.07019	1.3
156.86667	0.3
159.11368	0.9
164.04944	2.0
165.05569	0.3
166.06554	4.0
167.07179	0.6
168.04472	0.6
169.06490	0.4
170.06046	0.8
172.07568	1.2
178.06543	0.9
182.06145	0.3
190.08656	0.8
190.13110	0.5
192.04466	1.4
193.05276	0.6
194.06024	6.4
195.06714	0.7
196.07661	1.2
197.04669	0.7
198.05531	1.0
204.04448	0.5
206.06041	1.9
208.14168	0.4
210.05544	1.0
220.03973	0.8
221.04721	0.5
222.05513	14.8
223.06305	4.6
224.03581	0.3
224.07065	2.7
226.05028	4.3
234.05559	2.1
235.06342	0.6
238.05107	0.5
250.05014	52.4
251.05748	6.8
252.06570	7.4
254.04504	5.3
262.04993	4.8
266.04507	1.0
278.04492	12.0
279.05292	2.6
280.06061	16.6
280.09207	0.8
282.03995	5.9
294.04004	1.1
306.03922	2.7
307.04639	0.8
308.05548	100.0
309.05902	2.8
324.05167	0.9
334.17307	0.9
352.04541	49.9
352.18481	1.4
353.04779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.05518	16.8
57.03437	6.5
57.07072	2.6
61.28165	1.8
65.03948	2.6
67.05176	3.2
67.05511	46.4
69.07073	16.6
69.63754	5.7
69.64180	6.7
71.04992	5.0
71.08615	2.4
77.38162	2.3
79.05496	62.6
79.05957	4.1
79.26149	1.9
81.06583	3.2
81.07063	60.6
83.04987	4.2
83.08628	9.7
85.06548	4.8
91.05489	70.3
93.07053	89.9
95.04984	5.5
95.08617	41.6
96.24522	2.3
97.06538	4.6
97.10133	2.1
98.21509	4.1
99.08109	3.7
102.68980	2.1
103.05499	3.9
105.04545	2.0
105.07039	72.6
107.04980	2.0
107.08609	47.7
109.06506	7.1
109.10155	10.9
110.82738	1.9
117.07005	19.8
119.07799	3.9
119.08590	62.6
121.06467	2.5
121.10154	40.4
123.08062	2.7
123.11711	6.2
128.06236	2.5
129.06999	11.8
131.08582	26.8
133.10144	58.5
134.10420	2.2
135.08055	7.5
135.11707	42.2
137.09634	3.2
141.07001	2.6
142.07764	2.9
143.08575	17.5
145.10141	29.4
147.08095	4.3
147.11705	60.7
149.09604	5.4
149.13289	19.3
153.01422	2.0
155.08536	2.9
157.10150	14.5
159.11696	23.9
161.09590	3.0
161.13290	41.6
163.11198	4.9
163.14882	8.3
165.12732	3.1
169.10153	3.2
171.11723	16.2
173.13293	11.6
175.11180	4.4
175.14864	16.8
177.12801	3.8
183.11786	4.4
185.09712	2.6
185.13268	16.7
187.14793	7.6
189.09001	2.0
189.12807	3.4
197.13358	2.3
199.14867	8.8
201.16478	3.2
213.16406	5.5
221.13289	2.6
227.14120	2.1
231.21086	6.5
241.19543	32.9
259.20602	100.0
260.20880	4.6
277.21561	4.7
333.24496	3.0
351.19373	9.3
351.25693	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
51.44243	2.8
53.03951	9.7
55.01876	7.5
55.05513	30.4
56.96561	3.8
57.03445	32.0
57.07085	5.5
65.03965	3.9
66.79721	2.7
67.05511	80.7
69.07075	33.9
69.31966	28.3
71.05001	5.0
71.08643	27.8
79.05501	74.2
80.75840	2.7
81.07067	95.0
83.04986	9.5
83.08627	18.5
85.06557	6.3
91.05491	61.4
93.07052	100.0
95.04978	14.6
95.08616	64.2
97.06535	8.3
97.10178	10.5
99.08106	19.4
103.05502	4.3
105.03436	3.4
105.07040	66.8
107.04964	6.2
107.08611	61.8
109.06518	8.5
109.10177	27.7
111.08134	4.4
113.09613	4.0
117.07046	18.7
119.08596	56.4
121.06539	6.5
121.10157	51.3
123.08105	4.5
123.11710	12.9
127.11204	3.5
129.07007	11.8
131.05025	3.0
131.08572	30.8
133.06577	4.7
133.10149	47.9
135.08057	4.4
135.11699	44.1
137.05965	3.2
137.09625	5.1
141.07036	5.4
142.07758	3.8
143.08562	17.1
145.10103	31.1
147.08087	5.9
147.11687	35.8
149.09663	7.2
149.13246	25.7
151.11212	9.4
155.08614	4.8
156.09373	3.8
157.10133	16.1
159.11702	27.7
161.09563	3.3
161.13292	31.7
163.07561	3.5
163.11203	7.9
163.14813	4.9
165.12788	7.3
167.08582	4.5
169.10136	3.0
171.11752	14.7
173.13297	10.5
175.11226	5.1
175.14842	10.0
179.08536	3.9
179.14333	55.6
183.11723	7.1
185.09724	3.5
185.13290	13.8
187.14819	13.5
189.12724	3.5
193.10149	3.7
195.11719	7.1
197.13271	6.3
199.14850	10.5
203.14377	4.0
207.11729	5.5
211.14989	3.5
213.16357	5.4
221.19359	2.8
227.10751	3.0
231.21082	4.4
235.16968	5.0
241.19478	17.0
259.20532	45.5
267.17377	2.9
277.21701	26.7
305.22589	4.8
309.22046	3.6
333.14172	3.4
333.22162	4.6
351.15970	3.9
351.25943	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.05517	18.2
56.56499	1.9
57.03439	9.1
57.07067	2.9
65.64132	2.3
67.05508	42.3
69.03449	2.2
69.07074	15.5
69.55141	5.7
69.55550	9.0
71.04993	4.6
71.08631	2.4
79.05500	65.7
79.60981	2.2
81.03412	3.1
81.07065	68.6
81.70823	1.9
83.08630	9.4
85.06557	5.9
91.05484	53.9
91.06013	4.2
93.07052	94.2
95.04974	7.4
95.08618	39.9
97.06568	4.2
97.10208	4.6
98.21490	3.5
99.08102	2.7
100.77790	2.2
103.05460	2.7
105.07037	61.7
107.08605	58.0
109.06537	4.4
109.10165	17.6
115.05505	2.0
117.07050	14.0
119.08593	57.0
121.09296	4.5
121.10156	49.2
123.08121	4.8
123.11719	7.2
125.09688	2.0
128.06274	2.6
129.07039	8.9
131.08556	23.6
131.09373	2.5
133.10144	51.0
134.10918	2.5
135.08066	5.9
135.11708	45.1
136.12102	2.6
143.08578	12.0
145.10129	26.9
147.08046	2.9
147.11699	52.7
147.12793	3.9
149.09595	4.5
149.13278	29.5
155.08551	3.2
157.10149	11.7
159.11700	24.4
161.09644	2.5
161.13268	36.7
163.11221	5.3
163.14859	8.8
169.10188	3.7
171.11703	17.8
173.13283	13.1
175.11250	4.1
175.14847	18.0
177.12773	4.8
177.16472	2.3
185.13257	14.3
187.14853	7.3
189.12753	2.6
199.14835	8.7
203.14375	4.1
213.16394	6.1
217.19487	3.0
231.21115	7.8
241.19513	36.9
259.20602	100.0
277.21634	17.0
333.24097	10.5
351.19467	5.2
351.25540	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66534	2.4
52.26107	2.7
53.00313	3.2
53.03939	9.2
55.05512	35.7
56.96554	4.4
57.03441	44.5
57.07066	4.4
65.03948	6.9
66.73520	2.8
67.05505	77.2
68.06726	2.5
69.07066	30.6
69.72018	12.9
69.72435	5.9
71.04986	8.7
79.05501	75.7
81.07060	94.8
81.07526	6.5
83.04976	3.0
83.08620	22.2
85.06561	8.8
88.21117	3.1
91.05489	65.8
93.07053	100.0
93.69030	2.9
95.04971	8.1
95.08614	83.3
97.06557	10.5
97.10172	6.7
98.21565	3.4
99.08105	6.2
105.07041	62.0
107.08603	56.6
109.06535	10.7
109.10175	23.4
111.08057	6.6
115.05487	3.0
117.07009	19.9
119.07784	5.5
119.08595	65.2
121.10152	59.3
123.08079	3.8
123.11713	8.0
128.06175	2.8
129.07039	12.6
131.08563	26.7
133.10135	49.9
135.11711	38.5
143.08577	14.1
145.10124	31.7
146.87639	3.1
147.11687	43.5
149.09618	6.1
149.13280	26.1
151.11234	4.2
153.70586	3.2
155.08569	4.7
157.10153	13.9
159.11707	23.6
161.13264	27.2
163.11218	4.9
163.14827	9.9
165.12805	3.0
169.10188	5.7
170.10936	3.5
171.11739	16.8
173.13271	13.9
175.11258	4.0
175.14861	13.9
183.11746	4.3
185.13231	18.8
187.14795	15.7
189.12752	6.2
195.11855	3.8
197.13326	4.7
199.14838	10.9
201.16429	3.3
205.15897	9.0
209.13362	4.8
213.16487	4.2
215.17921	3.4
217.15852	3.8
221.19058	3.9
223.14763	4.3
231.21106	5.7
239.14272	3.5
241.19533	23.7
253.19617	2.8
259.20593	53.9
269.19315	3.3
277.21719	26.1
305.10873	3.5
307.47388	3.3
323.11609	3.6
333.25623	7.9
351.25534	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
53.21032	2.2
55.01868	7.4
55.05514	30.9
57.03447	21.0
57.07073	7.5
57.83540	2.3
65.03926	3.8
67.05511	77.7
69.03439	6.6
69.07072	30.4
70.92669	4.8
71.04987	9.7
71.08634	34.4
72.10645	2.1
79.05498	79.0
80.33563	2.2
81.03419	8.8
81.07062	97.9
83.04984	12.1
83.08625	17.8
85.06553	6.7
88.51987	2.3
91.05487	66.9
93.07050	100.0
95.04989	18.9
95.08611	56.2
97.06537	17.4
97.10182	5.3
99.04461	2.5
99.08096	27.4
105.07030	66.1
107.04974	6.7
107.08597	55.5
109.06526	10.5
109.10159	25.0
111.08095	5.8
117.07029	14.7
117.55074	2.7
119.08572	46.8
121.06541	3.7
121.10149	44.4
122.80917	2.4
123.08086	8.7
123.11723	7.6
123.74361	2.4
125.09632	5.0
127.11205	2.8
128.06285	3.3
129.07031	10.5
131.08569	22.5
133.10141	37.1
135.08054	7.5
135.11700	36.7
137.05989	4.3
137.09612	5.6
141.07005	3.4
142.07761	5.3
143.08557	13.0
145.10136	22.0
147.07982	3.2
147.11705	26.5
149.09679	8.1
149.13242	14.8
151.11172	13.3
155.08496	5.4
157.10133	10.9
159.07968	2.8
159.11713	22.8
159.79759	2.6
161.09636	6.9
161.13271	22.8
163.11176	7.9
163.14923	4.8
165.12817	3.5
167.10693	5.2
169.10231	4.7
171.11713	13.1
173.09576	2.6
173.13275	7.1
175.03947	2.9
175.11166	5.9
175.14874	9.3
177.12766	5.4
178.22089	2.8
179.10651	2.4
179.14336	68.6
181.10179	4.1
183.11705	3.4
185.13310	12.5
187.39865	2.8
189.12793	4.6
189.16568	3.4
195.11745	4.2
197.13281	3.3
199.14838	7.5
203.14401	3.2
221.13283	2.8
235.16962	3.7
241.19551	6.1
251.09088	5.2
259.20575	18.8
271.20679	6.2
277.21683	30.5
309.09726	6.7
315.19617	6.2
333.20670	5.4
333.24680	3.0
351.10635	6.1
351.25827	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.05286	3.1
55.05511	24.3
57.03440	14.9
57.07085	4.2
65.03950	2.7
67.05508	58.5
69.03433	3.0
69.07072	24.1
69.90763	4.4
69.91173	8.5
70.79840	2.0
71.08628	3.6
71.94397	2.1
75.76655	2.3
79.05499	81.1
81.03420	4.8
81.07059	72.0
83.04982	5.1
83.08611	8.9
85.06544	5.2
91.05490	69.3
93.07050	100.0
95.01334	2.4
95.04959	10.4
95.08614	46.0
97.06547	5.0
97.10160	4.0
98.21406	2.6
99.08102	6.4
105.07037	69.1
107.04963	2.5
107.08601	65.0
109.06551	4.9
109.10149	14.2
112.06486	2.1
113.09687	4.8
117.07037	15.6
119.08588	62.8
121.06537	4.2
121.10152	52.7
123.08061	4.1
123.11682	2.8
125.09662	2.3
129.07016	11.7
131.08574	26.2
133.06718	2.3
133.10138	60.6
135.08078	5.3
135.11694	41.7
137.05910	2.1
137.09596	3.0
143.08594	11.4
145.10133	24.6
147.11688	52.9
147.12788	4.2
149.09656	4.5
149.13271	32.0
151.11182	2.6
153.09111	4.2
155.08609	2.4
157.10162	11.3
159.11700	23.7
161.09637	6.4
161.13260	39.5
163.11198	5.4
163.14864	10.0
169.10078	2.3
171.11711	13.4
173.13313	9.8
175.11246	3.6
175.14819	23.7
177.12766	5.3
179.14319	13.5
185.13182	13.9
187.14832	2.8
189.12857	4.0
193.12273	2.3
195.13956	2.0
199.14919	10.1
203.14369	2.5
213.16507	4.4
217.15990	2.9
217.19492	3.0
231.17455	3.3
231.21098	8.7
235.17036	3.4
241.19536	33.4
254.25591	2.4
259.20593	98.7
260.20950	2.7
277.21716	19.8
320.20990	2.5
333.24191	8.5
351.12149	5.0
351.25409	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.7
53.03950	4.7
53.93573	1.3
55.05517	17.1
57.03436	5.9
57.07074	2.5
65.03945	3.1
67.05508	49.1
69.07068	17.1
71.04988	3.4
71.08640	3.3
71.56134	3.5
75.04476	1.7
77.03941	1.5
79.05501	64.1
79.05967	3.3
81.03428	2.0
81.07062	56.7
83.04982	3.1
83.08639	7.5
85.06559	3.3
91.05489	64.1
93.07050	83.8
95.04980	7.8
95.08616	38.6
97.06523	3.6
97.10197	3.5
99.08124	6.5
103.05518	2.4
105.07037	73.7
107.04899	1.7
107.08602	55.8
109.06530	3.3
109.10172	14.1
111.08111	3.1
113.09676	2.5
117.07028	16.6
119.08595	66.1
120.08923	1.8
121.06480	1.9
121.10148	33.4
123.08087	2.4
123.11739	4.1
125.09655	1.4
128.06264	3.3
129.07022	10.3
130.07828	1.7
131.08566	25.9
133.10144	58.9
135.08122	2.1
135.11702	33.9
137.09732	1.6
142.07788	2.8
143.08551	13.5
145.10139	23.2
147.11700	52.7
149.09660	4.2
149.13269	21.2
151.11218	3.7
157.10135	12.8
159.11723	22.7
161.09660	4.4
161.13269	44.5
163.11314	4.0
163.14830	7.3
171.11758	14.3
173.13310	11.9
174.08698	1.5
175.11298	3.6
175.14862	19.5
177.12825	2.4
179.14383	4.2
185.09720	1.8
185.13286	16.0
187.14867	3.8
189.12801	2.8
189.16513	2.6
197.13252	1.9
199.14819	11.8
201.16588	2.1
203.14442	2.5
213.16463	4.3
217.19450	2.1
231.17606	3.6
231.21053	10.0
237.77625	2.0
241.19519	39.0
242.19991	2.2
259.20593	100.0
260.21097	2.1
277.21805	5.9
332.81534	1.6
333.24564	2.1
351.14929	1.9
351.25491	53.6
352.25778	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.05511	17.0
57.03444	4.3
57.07078	2.6
65.03959	3.6
67.05510	42.8
67.05874	2.3
69.03443	4.5
69.07079	15.7
69.23039	4.3
69.23457	12.0
71.04346	1.4
71.05006	4.3
77.03941	1.8
79.05498	54.4
81.03446	3.8
81.07063	51.4
83.05009	3.1
83.08641	7.2
84.35084	1.4
85.06541	2.9
91.05486	63.0
93.07049	70.7
95.04989	6.4
95.08613	37.2
97.06562	5.7
97.10205	3.5
99.04467	2.1
99.08108	4.8
101.35396	1.6
105.07040	68.8
107.04990	1.6
107.08599	43.1
107.09281	3.1
109.02936	2.1
109.06557	4.0
109.10159	15.1
111.08118	3.8
115.05474	1.4
117.07011	13.6
119.04955	1.7
119.08587	62.7
121.06533	1.9
121.10152	36.2
123.08096	3.7
123.11709	3.7
125.09647	2.4
127.03967	1.9
128.06216	2.7
129.07021	12.4
131.08575	23.6
133.10138	56.2
135.08089	4.8
135.11694	32.7
137.06032	1.9
137.09637	1.8
142.07822	1.9
143.08565	11.8
145.10124	26.9
147.11699	47.3
149.09619	4.1
149.13271	21.1
151.11215	3.1
155.08618	3.1
157.10156	13.6
159.11711	19.5
161.09660	5.9
161.13264	42.2
163.11256	4.6
163.14828	7.9
165.07095	2.2
165.12805	2.3
171.11681	20.9
173.13261	12.0
175.03976	1.8
175.11235	4.9
175.14836	23.2
177.12851	4.2
179.14349	2.0
183.11790	2.3
185.13284	14.9
187.14925	3.0
188.11957	1.7
189.12827	4.2
189.16415	2.0
191.14424	2.6
197.13362	2.9
199.14832	8.8
203.14409	2.3
213.16531	4.5
217.15843	1.9
217.19583	4.9
231.17500	3.1
231.21088	9.5
239.18184	1.6
241.19514	38.5
250.66229	1.5
259.20587	100.0
260.21045	3.0
277.21750	4.9
333.20798	1.8
333.24368	1.8
351.14981	2.1
351.25461	55.6
352.25363	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28156	2.1
52.53870	1.9
53.03952	6.0
55.01878	4.3
55.05519	20.3
57.03433	7.1
57.07075	3.9
65.03987	2.4
67.05515	49.5
69.03429	5.7
69.07074	23.7
69.33176	4.7
69.33579	14.7
71.04999	7.2
75.04505	2.4
79.05503	69.6
81.03423	8.1
81.07066	69.7
83.04967	4.6
83.08615	8.2
85.02881	2.4
85.06532	5.9
89.34608	1.8
91.04898	2.7
91.05491	64.5
93.07054	94.3
95.04959	8.1
95.08621	45.5
95.52489	2.1
97.02874	2.5
97.06541	8.3
97.10165	4.1
99.04478	2.3
99.08125	4.4
105.07043	88.0
107.08606	61.2
109.02892	3.9
109.06496	7.0
109.10158	19.0
111.04498	3.3
111.08083	3.8
117.07032	19.0
119.04926	5.1
119.08595	66.8
121.06506	2.5
121.10164	46.8
123.08078	4.7
123.11719	4.6
127.03987	2.4
128.06213	5.3
129.07010	13.8
130.07816	2.2
131.08577	28.4
133.06500	3.5
133.10149	71.6
135.08064	5.9
135.11708	41.5
137.06000	13.5
137.09659	6.1
137.13290	3.2
141.07109	2.3
142.07838	3.8
143.08598	18.2
145.10147	29.3
147.04369	2.3
147.08060	5.6
147.11708	49.1
149.09686	6.2
149.13287	26.3
151.11177	3.5
155.08572	4.9
157.10138	16.6
159.08145	2.5
159.11714	30.1
161.09627	16.0
161.13277	44.3
163.11229	12.1
163.14844	9.3
167.08530	2.5
169.10088	4.0
171.11702	19.1
173.09602	2.6
173.13306	16.2
175.11205	7.3
175.14825	22.0
177.12730	6.5
179.10661	5.6
181.12253	2.6
185.13293	19.0
187.11156	2.2
187.14807	6.0
189.09181	2.6
193.10170	2.3
195.13838	2.7
199.11302	2.3
199.14922	9.9
201.16396	2.2
202.07822	2.3
203.14465	2.4
207.06523	3.8
207.10188	2.9
209.13239	2.8
211.14847	2.7
213.16423	6.2
215.17943	2.5
217.19557	6.3
225.16425	2.9
231.08017	3.2
231.17538	6.1
231.21057	8.2
241.19537	34.4
247.07433	2.3
259.20615	100.0
260.21005	2.8
277.18579	3.5
277.21652	15.0
290.09460	3.7
291.10251	4.3
319.09680	7.9
328.24207	2.5
333.20712	4.4
333.24393	8.3
336.09851	2.3
351.07037	4.4
351.12042	7.7
351.15094	3.9
351.25607	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21863	0.4
52.01891	0.4
57.37345	0.5
60.65886	0.5
69.58173	2.2
80.78326	0.4
86.01729	0.4
98.21555	0.4
122.21519	0.4
175.08693	1.0
185.10744	0.7
188.09425	0.7
189.10361	0.4
193.09810	0.6
199.08658	3.1
200.09471	6.9
201.10240	7.8
202.10963	1.0
206.10498	0.6
212.09576	0.6
213.10252	7.0
213.13785	0.5
214.10962	5.6
215.11806	19.3
216.12505	1.1
217.09799	1.4
219.11331	8.9
219.13428	0.7
225.10251	0.6
226.11047	1.9
227.08191	0.9
227.11810	1.5
228.08977	1.0
228.12555	2.9
231.11258	2.4
232.12122	0.5
241.09735	2.4
241.13324	5.1
242.10547	10.5
243.11356	2.2
245.09315	1.4
254.10529	1.2
255.11290	1.0
256.12134	3.4
259.10757	4.2
260.11563	4.5
261.12381	1.5
269.12964	3.4
271.14316	0.5
272.11490	0.9
274.13107	0.6
277.11777	2.8
282.09827	0.8
287.13901	2.3
297.12354	8.0
298.12613	0.6
299.41095	0.4
300.11108	3.0
308.86905	0.5
315.13388	19.9
316.13681	0.8
333.14453	18.6
351.15533	100.0
352.15860	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	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.40958	0.6
53.03942	1.3
55.01867	1.3
55.05502	1.9
61.43141	0.6
62.44607	0.6
63.47844	0.5
67.05503	2.0
69.03426	2.0
69.07050	1.4
71.04993	0.7
71.55020	1.1
79.05502	3.2
81.03432	3.9
81.07056	3.3
83.04972	0.9
85.02853	1.1
91.05494	4.7
93.07051	4.4
95.04978	1.3
95.08653	3.2
97.02869	0.8
99.04461	0.9
105.07043	16.7
107.04958	0.9
107.08603	4.4
109.02905	1.7
109.06519	1.2
109.10162	2.6
111.08087	0.9
114.39635	0.6
117.07006	1.5
119.04939	1.2
119.08604	4.0
121.06490	1.3
121.10153	2.3
123.08040	0.9
123.11740	1.4
127.03918	1.5
129.07002	1.7
131.08554	1.8
133.06488	0.8
133.10143	10.4
135.08093	1.2
135.11716	1.1
143.08586	2.2
145.06467	0.8
145.10143	2.3
147.04453	0.7
147.08047	0.8
147.11676	1.8
149.09613	1.0
151.07542	0.9
151.11150	0.6
155.08527	0.9
157.10150	2.1
158.07384	0.7
159.08138	0.8
159.11682	1.5
161.09639	7.7
161.13248	1.3
163.11205	2.8
171.11671	1.3
175.03957	0.9
177.12753	1.0
179.10689	0.9
183.11716	0.9
187.11195	0.8
187.14841	0.8
189.09087	2.9
194.34196	0.8
197.13365	0.9
199.14774	1.0
203.14368	0.7
207.06552	1.0
225.12718	0.9
226.57916	0.7
230.07216	1.1
247.07515	0.7
253.49376	0.6
277.21552	0.9
291.10159	1.3
297.18326	0.7
315.19598	0.8
319.09692	1.9
323.14874	1.0
333.20575	1.8
351.14420	3.2
351.21439	100.0
352.21573	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	351.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48647	0.6
56.96532	1.4
57.03398	0.7
59.53881	0.5
69.03400	1.6
70.06528	0.6
71.54899	1.0
82.84921	0.6
82.99821	1.2
83.52335	0.6
84.08102	2.7
85.01395	1.1
85.02912	3.1
85.08348	0.6
87.04435	0.6
97.02853	2.1
98.97588	4.3
101.00900	6.3
103.02483	3.5
103.90939	0.6
110.97571	1.2
111.91086	0.6
112.11306	0.6
112.99108	0.8
113.00882	4.7
114.09119	0.9
115.02428	3.4
116.07070	1.0
117.03945	2.8
119.01928	6.8
120.17433	0.6
120.69726	0.6
121.03442	1.5
124.03943	0.6
127.00673	0.9
127.02413	1.3
129.03999	7.7
131.00169	1.3
131.01918	9.7
133.03476	5.8
135.04965	1.1
141.03920	0.9
143.00113	0.7
143.01875	2.9
145.03494	7.0
146.99625	0.7
147.05038	42.1
148.05084	0.8
149.64969	0.7
153.03961	3.7
153.04999	0.6
155.01906	7.4
156.02669	1.3
157.03496	3.8
158.99608	1.5
159.05035	4.3
160.07564	4.3
161.01254	0.7
161.02921	2.2
164.07079	1.4
165.04010	1.1
165.06096	8.0
169.03360	1.1
170.06512	0.6
171.05032	19.3
173.02994	6.9
173.06621	3.2
175.04556	3.9
177.00681	0.9
178.01105	0.9
179.01999	0.6
181.03447	1.4
183.05029	9.8
185.02968	1.3
185.06613	6.3
187.04453	1.2
189.06090	42.3
189.13231	0.7
190.06181	1.1
195.05089	1.9
196.02161	1.1
197.06548	1.7
201.06097	41.8
202.06218	1.1
203.04059	4.3
203.07654	6.9
207.05093	2.3
207.06976	1.5
213.06129	4.3
214.06631	0.6
215.07597	1.5
217.05519	0.9
217.09731	0.8
219.01714	2.9
221.03087	0.9
221.05090	12.6
225.06093	14.4
225.08241	1.5
231.05440	0.6
231.07213	6.1
233.08806	0.6
237.02846	2.8
243.07198	2.4
245.05116	2.5
247.06705	1.3
249.08205	2.6
255.07147	2.0
259.06763	1.7
261.08365	4.8
273.08215	5.3
285.08063	0.8
291.09280	100.0
292.09586	3.7
305.10858	0.9
305.14221	0.8
309.10449	24.5
322.12973	2.0
351.11478	26.3
352.11581	0.9
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
55.58395	1.1
61.02900	1.2
68.96597	1.2
69.03455	1.4
69.92654	5.9
70.73417	1.2
84.08151	8.1
85.02898	2.2
94.60661	1.1
97.02909	1.4
98.97575	1.1
101.00891	4.4
103.02437	1.3
110.20297	1.1
113.00900	1.4
115.02445	2.5
119.01924	9.7
123.63712	1.2
130.08669	2.9
131.01929	4.0
133.01654	1.2
133.03479	4.7
141.38432	1.2
143.01921	2.4
145.03493	6.0
147.01392	1.4
147.03188	2.7
147.05058	4.3
151.43959	1.1
153.03943	2.1
155.01872	4.0
157.03482	3.2
159.03221	1.4
159.05035	2.2
161.02982	1.4
165.06169	1.2
169.03574	1.4
171.05049	11.5
173.03014	5.7
173.04559	1.4
175.04561	2.1
185.02972	1.9
189.03888	2.2
189.06094	2.9
201.02507	1.8
201.04202	1.3
201.06085	2.0
203.04150	1.2
207.07230	2.7
215.04004	1.4
217.00143	1.5
221.05171	5.0
222.29791	1.3
225.06050	1.3
225.08185	2.3
228.97261	1.2
231.03627	1.9
245.05231	2.9
249.08235	3.5
253.31546	1.2
261.08160	2.9
291.09308	4.2
305.08630	1.2
309.84027	1.2
333.06592	3.3
351.07037	25.1
351.12488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61169	3.2
65.03938	5.9
69.03428	5.5
71.01861	4.3
71.02190	7.0
74.06618	3.3
85.02909	13.7
96.11673	4.3
97.02879	4.0
111.04446	38.9
121.22155	3.8
139.03915	89.1
150.66527	3.3
171.06552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.75808	0.3
53.03925	0.7
55.01852	0.8
55.05510	2.8
57.03419	0.5
57.07077	4.5
57.18087	0.4
65.03904	0.7
67.05508	5.3
67.81104	0.4
69.03405	0.4
69.07072	3.7
71.04989	0.4
71.08627	2.2
71.58394	0.5
79.05495	4.3
81.07064	8.1
83.04986	0.9
83.08582	1.2
85.06547	2.8
87.64047	0.3
91.05477	2.2
93.07056	4.0
95.04951	0.8
95.08054	0.5
95.08608	7.0
97.06509	0.8
97.10161	0.5
99.08098	1.9
103.48125	0.5
105.07030	3.7
107.08588	3.7
107.97959	0.4
109.06519	18.3
109.10172	3.0
111.08058	0.7
117.06996	0.7
119.08564	4.1
121.06546	0.5
121.10116	3.0
122.07272	1.7
123.08068	24.7
123.11671	1.3
129.06985	0.4
130.40198	0.4
131.08546	1.9
133.10120	2.8
135.08041	3.5
135.11688	1.5
137.09598	1.0
142.07759	0.6
143.08633	0.6
145.10144	2.5
147.11670	1.4
149.09645	0.5
149.13226	0.9
155.08543	0.8
157.10114	1.4
159.11703	1.5
161.13214	1.0
163.11256	0.4
163.14876	0.5
165.12709	0.4
167.14357	0.6
169.10100	0.8
171.11722	0.5
173.13248	1.2
175.14946	0.4
177.12746	0.5
177.16406	0.6
179.14314	100.0
180.14609	1.7
183.11679	0.9
185.13335	0.5
187.11247	0.5
187.14857	0.5
193.15913	2.3
195.11803	0.7
207.11638	0.5
209.13095	0.5
223.14848	0.6
227.14395	0.6
253.85498	0.4
289.25204	0.8
293.21240	0.5
294.13678	0.4
307.20502	0.4
321.25916	1.4
331.19116	0.7
331.26770	2.1
349.27457	77.5
350.27585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03951	0.5
53.17224	0.5
55.01867	0.8
55.04843	0.6
55.05263	0.6
55.05516	6.5
57.03447	0.5
57.07075	1.8
57.94054	0.4
61.47359	0.4
62.83022	0.4
67.05513	5.6
69.03451	0.4
69.07072	12.5
70.69262	1.1
70.69607	0.5
71.04989	1.8
71.08615	0.9
73.06558	0.4
79.05497	5.9
80.52986	0.4
81.07066	9.5
83.04984	1.4
83.08631	3.9
85.06538	1.4
87.83865	0.5
91.05498	3.1
93.07055	7.0
95.04963	1.3
95.08615	8.8
97.06538	1.9
97.10159	1.0
99.08044	0.8
105.07033	4.6
107.08604	6.5
109.06526	12.7
109.10175	4.3
111.08090	1.9
117.07031	1.0
117.43018	0.5
119.08587	3.6
120.75847	0.4
121.06541	0.9
121.10158	4.0
122.07306	1.0
123.08080	68.5
123.11694	2.8
124.08405	0.6
125.09624	0.5
129.06912	0.7
131.08577	1.6
132.53876	0.5
133.10155	3.9
135.08066	5.8
135.11705	2.4
137.09636	3.9
137.13281	0.8
143.08636	0.5
143.78691	0.4
145.10135	2.3
147.11722	2.4
149.09645	2.1
149.13280	2.0
151.11198	1.0
157.10156	1.0
159.11751	2.8
161.13312	2.2
163.11166	0.9
165.12747	1.0
169.10106	0.5
173.13298	1.2
175.11235	0.5
177.12791	0.9
179.14325	13.7
185.09767	0.6
185.13448	0.5
198.16968	0.6
233.19086	1.0
257.19186	0.6
275.20135	1.8
289.25201	0.8
293.21146	16.4
307.22992	0.9
331.19150	1.3
331.26291	3.3
349.27411	100.0
350.27744	2.3
357.36322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.55488	0.8
53.03942	0.8
55.01862	1.4
55.05518	7.7
56.42207	0.7
57.03443	1.9
57.07069	1.7
63.98264	0.8
67.05507	8.9
69.07072	13.3
71.04984	1.5
71.55874	1.0
79.05489	6.3
81.07059	15.5
83.04993	1.8
83.08624	6.0
87.06001	0.8
91.05495	4.8
93.07040	9.5
95.04985	0.9
95.08611	11.4
97.06525	2.5
97.10181	1.1
105.07038	6.9
107.08598	9.8
109.06519	13.0
109.10165	4.9
111.08089	2.9
117.07028	2.1
117.42443	0.7
119.08571	7.0
121.06535	1.2
121.10155	6.3
123.08077	70.2
123.11720	3.6
124.08429	1.2
129.07100	1.0
131.08588	2.5
133.10158	3.9
135.08070	6.6
135.11723	3.1
137.09647	5.4
143.08604	1.1
144.73613	0.9
145.10120	2.7
147.11713	3.5
149.09637	2.6
149.13263	1.8
157.10138	1.3
159.11723	4.3
161.13326	3.8
163.11191	2.2
173.13336	2.2
178.09891	0.8
179.14310	11.4
183.11644	1.5
189.12819	1.0
239.17932	1.1
275.20163	3.9
289.25159	1.0
293.21133	19.3
331.26315	3.1
345.23508	0.9
349.27438	100.0
350.27594	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	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.3
61.56421	4.8
65.70409	5.5
67.05508	84.9
69.03413	6.0
69.07069	15.7
71.00584	6.4
71.00921	11.8
71.04979	5.3
71.08609	12.5
79.05488	24.4
81.03390	6.7
81.07054	46.9
83.04990	6.9
83.08617	22.2
85.06558	8.3
90.04286	5.3
91.05471	23.9
93.07071	26.2
95.04949	8.0
95.08598	27.6
97.10155	10.4
99.08088	9.4
105.07040	13.7
107.08588	19.4
109.10166	68.8
117.07004	6.1
119.08601	14.0
121.10156	7.1
123.08068	5.3
123.11742	9.5
125.09677	5.7
131.08527	9.6
133.10136	18.3
135.11707	10.0
145.10046	6.4
147.11693	7.3
149.13239	14.8
155.10667	23.3
161.13260	6.4
171.11713	9.4
173.11746	100.0
189.11163	13.1
195.13850	20.3
213.14914	19.4
277.21548	34.7
295.22794	20.5
300.21024	6.5
303.19812	5.9
310.09384	5.9
348.12231	7.1
349.19766	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01873	8.9
55.05519	32.9
57.03441	33.3
57.07075	4.2
61.20120	3.0
65.03931	5.6
67.05508	65.6
69.03432	7.7
69.07070	29.7
70.00891	15.7
71.04999	9.2
77.03949	3.2
79.05499	66.4
81.03410	4.2
81.06584	4.3
81.07059	80.1
81.07517	4.8
83.04981	17.8
83.08644	15.8
85.02923	5.9
85.06543	12.0
88.73749	3.1
91.05484	77.1
93.07050	77.4
95.04985	16.0
95.08612	60.6
97.06521	14.4
97.10177	6.5
98.20836	4.3
99.04454	3.7
99.08099	3.6
103.05460	3.1
105.07040	100.0
107.04963	9.4
107.08602	73.3
109.02869	4.3
109.06511	20.9
109.10151	28.4
111.04478	8.4
111.08070	6.2
113.06060	3.9
117.07021	33.9
119.08592	91.3
119.09460	5.0
121.06506	13.8
121.10163	47.7
123.08076	15.7
123.11694	10.3
125.09686	3.5
128.06235	6.4
129.06993	17.5
130.07851	6.0
131.08586	59.7
133.06529	6.0
133.10138	58.8
135.08049	25.4
135.11705	17.0
137.06003	7.7
137.09647	11.0
139.07582	3.4
139.11203	5.2
141.07004	5.5
142.07759	6.9
143.08545	29.0
144.09297	5.5
145.06444	3.8
145.10135	80.7
147.08087	8.1
147.11708	55.0
149.09631	16.7
149.13254	9.5
151.07553	8.3
151.11189	4.6
153.05568	4.2
155.08514	9.9
157.10170	29.5
159.08092	4.4
159.11700	66.0
161.09622	12.8
161.13281	22.1
163.11189	14.5
167.07034	7.2
167.08508	3.8
169.10130	15.7
171.11699	20.1
173.09669	7.3
173.13281	30.9
175.11229	9.8
175.14819	14.5
177.05498	7.4
177.12811	4.8
177.16451	4.2
179.10617	4.1
181.10095	4.9
183.11671	13.0
184.74051	3.5
185.09601	3.6
185.13274	31.8
187.11203	12.7
187.14850	12.2
189.12726	6.6
195.11783	5.5
197.13318	17.6
199.11177	6.4
199.14847	6.2
201.12840	6.6
201.16357	5.5
203.10721	4.0
203.14317	22.9
205.15895	30.5
211.14813	6.3
213.12820	3.6
213.16249	4.0
215.14340	4.3
219.17403	15.8
225.16466	4.6
229.15862	4.5
229.19505	7.4
237.16391	4.9
239.18069	18.0
243.17491	4.8
257.19034	54.7
271.16925	5.8
275.20105	46.2
285.18552	14.2
289.17822	3.9
303.19583	8.7
313.17978	15.3
331.19040	50.8
331.22632	5.9
349.13809	3.8
349.20032	21.0
349.23843	100.0
350.06616	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	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54255	0.9
57.03440	1.4
61.02917	2.6
67.39403	0.7
69.03426	4.6
69.99260	2.7
69.99669	1.4
75.59068	0.7
81.03418	2.6
85.02905	20.7
91.03951	1.0
91.05486	13.4
95.04961	2.7
96.17391	0.9
97.02901	5.3
98.20818	1.3
104.19480	0.7
109.02868	1.7
119.04941	12.5
127.03867	4.2
136.05222	1.7
137.05962	2.0
145.04980	4.1
151.07547	100.0
152.07861	2.5
164.29434	0.8
165.09125	1.6
169.08583	8.3
181.08643	1.0
217.08482	0.9
277.10803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
55.05508	0.8
67.05502	0.9
67.26045	0.2
68.05027	0.8
68.81911	0.2
69.07069	1.0
69.91569	0.4
69.91960	0.6
70.06594	13.1
79.05495	2.3
81.07057	6.0
82.06590	1.6
83.07358	0.4
83.08624	0.5
84.08143	1.6
91.05485	1.7
93.07046	3.2
95.04984	0.4
95.08617	2.2
98.06014	0.4
100.07620	45.7
101.07980	0.3
105.07040	2.7
107.08606	4.8
109.10155	0.4
114.05570	1.2
116.07076	2.3
117.07057	0.4
119.08586	2.4
121.10140	1.3
126.05545	0.5
126.53503	0.2
127.44831	0.2
128.07082	100.0
129.07445	0.8
131.08572	1.3
133.10152	1.1
135.11679	0.5
136.37206	0.2
138.52043	0.2
139.19250	0.2
140.07079	1.3
142.08629	0.4
145.10092	1.1
147.11691	0.6
159.11703	0.9
160.24779	0.2
161.13242	2.0
163.14842	2.0
168.06580	0.9
186.07611	1.7
187.14819	1.9
189.16438	0.4
215.14281	0.6
233.15416	0.6
302.21167	4.3
304.22449	0.3
330.20560	0.6
348.21701	47.9
349.22055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
58.32548	0.7
61.02925	3.0
69.03432	4.2
70.43418	3.0
81.03415	2.2
85.02909	19.8
86.30896	0.9
91.03941	1.3
91.05480	14.1
95.04976	2.9
97.02887	5.5
102.53601	0.8
109.02858	1.7
119.04958	12.3
123.08071	0.8
126.22810	0.7
127.03935	3.7
133.06511	1.3
136.05246	1.7
145.04982	4.0
151.07549	100.0
152.07997	1.0
165.09109	0.9
168.19420	0.8
169.08621	6.5
180.08638	1.3
193.08560	1.2
211.05772	0.7
259.09415	0.9
277.10745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07341	0.8
52.96494	0.7
57.03438	1.6
61.02924	2.2
63.27362	0.9
69.03444	4.6
79.23070	0.9
81.03412	2.6
85.02911	16.3
87.04488	1.0
91.03915	1.0
91.05488	16.8
95.04967	3.1
97.02892	5.8
98.21546	1.7
99.49794	0.8
109.02894	1.8
109.12226	0.9
114.67184	0.8
119.04935	12.2
127.03935	3.1
131.72278	0.9
136.05217	1.6
145.04991	4.9
151.07558	100.0
169.08601	7.3
180.08820	0.9
186.11273	3.4
193.08714	1.3
255.65634	0.9
277.10779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53221	0.6
53.03932	1.1
53.27421	0.7
56.96555	0.8
57.03453	0.8
61.02921	1.7
66.05747	0.6
67.05496	1.2
69.03445	3.8
69.68110	3.7
70.06594	1.7
72.08156	1.4
73.02917	1.0
81.03413	1.5
84.04517	1.1
84.08144	1.8
85.02914	7.2
86.09700	4.5
94.06583	5.6
95.04978	0.8
97.02910	3.4
98.97569	2.4
101.00848	0.7
102.05543	1.0
103.05453	0.7
109.02928	0.7
116.98641	0.8
119.01022	0.5
119.01930	1.8
120.01919	0.8
122.06038	77.3
123.04427	1.2
126.05519	0.8
127.03906	2.0
129.10252	0.8
132.10213	1.0
136.06171	7.9
137.05977	1.4
138.05496	1.7
139.03932	1.7
140.07063	1.4
140.59001	0.7
143.01866	0.7
144.02011	1.0
150.05513	67.6
151.07486	0.9
152.07027	0.9
155.01915	0.9
158.99652	1.4
161.02936	1.5
162.03160	0.8
167.07059	3.0
168.06572	100.0
169.03435	1.1
169.06924	1.1
173.02953	1.3
175.04266	0.7
184.90399	0.8
186.07635	40.1
187.04561	1.6
187.08540	2.0
192.68436	0.7
203.22865	0.7
215.13899	0.8
217.08327	0.8
229.05589	1.1
237.02737	1.2
244.06784	0.8
245.05016	0.8
275.09659	0.8
282.52441	0.7
284.17178	1.5
349.14005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1854
Annotation	Heteroplexisolide B
Peak:m/z	Relative Intensity
53.03941	2.6
55.01878	3.7
55.05519	10.2
57.07083	8.0
63.92475	1.7
65.03943	1.7
67.05499	15.4
69.03431	12.4
69.07048	7.2
69.63813	8.9
69.64221	3.7
71.04982	3.7
75.59130	1.5
79.05486	9.3
81.03413	2.0
81.07061	14.0
83.04981	6.3
83.08601	2.5
85.02871	4.0
85.06525	2.5
88.42352	1.6
88.53137	1.9
91.05499	10.9
93.07046	13.9
95.04953	7.5
95.08610	20.3
97.02890	1.7
97.06514	8.3
98.06095	2.0
98.46325	1.8
99.04443	3.4
101.05995	2.3
105.07056	16.0
107.04980	4.0
107.08613	16.1
109.02869	5.0
109.06465	4.8
109.10164	15.6
111.04448	1.6
111.08054	5.2
115.05434	2.7
117.06987	4.0
119.04971	1.7
119.08580	12.0
121.06493	5.9
121.10158	10.8
123.04417	4.1
123.08059	5.2
123.11722	2.1
125.06021	10.4
125.09605	5.1
126.05487	2.2
127.23459	1.7
128.06168	2.7
129.07013	6.2
131.08572	12.8
132.39558	1.8
133.06471	3.7
133.10121	9.2
135.04347	2.2
135.08057	11.5
135.11678	4.1
137.05975	2.9
137.09607	16.4
139.03915	10.7
139.07507	3.5
142.07770	4.7
143.08560	7.7
145.06549	3.2
145.10153	10.3
147.08015	12.1
147.11725	4.2
149.05951	4.9
149.09587	5.9
149.13263	4.0
151.03880	6.7
151.07564	14.9
153.05438	2.5
153.09102	5.1
155.08524	4.8
156.09343	5.4
157.10118	10.4
158.07272	2.0
159.08087	9.5
159.11682	10.2
161.05898	2.5
161.09607	6.6
163.03946	2.8
163.07538	13.2
163.11122	2.4
165.05467	6.0
165.06897	2.4
165.09137	15.9
167.07111	3.3
167.08569	2.7
167.10680	2.2
169.10085	2.5
170.10847	3.7
171.11722	9.2
172.08833	4.2
173.09581	13.1
173.13266	5.9
175.07558	9.4
175.11169	6.9
175.14764	3.5
177.05431	3.0
177.09117	4.3
179.06975	2.6
181.08578	2.5
181.10028	2.0
183.11697	4.0
185.09608	8.3
185.13206	6.0
186.10379	1.9
187.07533	3.8
187.11165	17.8
187.14703	2.3
188.08235	2.2
188.11798	1.7
189.05406	2.1
189.09131	10.0
189.12706	5.4
191.06952	2.4
191.10684	7.4
191.14241	2.8
193.04889	3.4
193.08571	4.6
193.10187	2.8
195.11717	4.9
197.13205	7.3
198.10432	2.3
198.65320	1.7
199.11154	25.9
199.14774	2.7
200.11943	2.1
201.09142	3.7
201.12758	14.3
203.06982	2.6
203.10663	21.3
205.08585	4.2
205.12292	9.6
207.06569	2.7
209.13252	3.1
211.11183	3.4
213.09032	2.1
213.12816	9.9
213.16348	2.4
215.10632	3.6
215.14293	10.7
217.12273	10.7
217.15877	1.7
219.10139	3.7
223.14833	4.1
225.12717	5.5
225.16405	3.1
227.10634	4.7
227.14284	5.2
228.11256	2.2
229.12311	8.6
231.10091	5.7
231.13843	10.3
233.15346	14.6
237.12775	2.8
239.14359	2.4
239.17853	1.9
241.12209	5.9
241.15883	17.4
243.13805	7.9
245.11699	6.2
251.14311	4.2
252.14915	3.0
255.13768	3.8
255.17424	4.9
259.13272	6.9
259.16956	5.8
265.15781	4.9
269.15335	19.5
273.18488	2.7
283.17029	15.6
287.12866	4.7
287.16428	15.3
293.15329	1.9
301.17877	15.3
305.13983	2.0
311.16406	10.2
319.19128	2.3
329.13635	2.7
329.17474	53.0
347.18472	100.0
348.18887	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	37.6
57.02253	10.9
67.05510	95.9
69.07062	34.9
70.76393	24.5
79.05491	34.9
81.07064	77.2
83.08611	30.8
91.05479	35.4
93.07040	42.6
95.08616	35.8
97.10199	19.3
105.07021	34.5
107.08595	48.3
108.31012	10.1
109.10162	61.2
119.08572	37.4
121.10130	12.0
125.09595	22.9
129.07072	12.5
131.08556	17.5
133.10164	25.3
135.11667	13.3
137.09624	12.4
145.10049	16.5
147.11673	15.1
149.09587	11.5
149.13196	14.5
155.08662	10.7
155.10678	18.4
156.36519	10.0
173.11728	100.0
181.10231	13.3
189.11238	29.7
191.07057	15.8
192.07335	20.7
195.13882	35.5
213.14725	23.1
254.08940	12.4
263.03384	11.9
266.38846	11.4
275.20087	58.9
300.09674	14.1
314.11053	56.8
346.13647	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	346.2014
Annotation	7-Deoxycephalofortuneine
Peak:m/z	Relative Intensity
50.03910	0.2
53.56736	0.2
53.61146	0.2
55.05526	0.6
59.14199	0.2
62.36781	0.3
65.67432	0.2
70.06596	11.4
70.69298	0.4
70.69624	0.2
71.95238	0.2
79.12500	0.2
82.06587	23.1
83.07386	0.3
84.08148	3.0
91.05487	0.5
93.07103	0.3
100.07626	48.8
101.07893	0.3
105.07049	0.3
117.07037	0.6
119.08618	0.2
128.07088	100.0
129.07413	1.0
131.08589	0.8
133.10173	0.3
145.10075	0.3
150.13632	0.2
153.76659	0.3
159.11713	0.9
194.29901	0.3
227.23096	0.2
280.83905	0.2
300.19601	33.8
301.19876	1.3
337.62506	0.3
346.20148	59.8
347.20544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03946	0.8
55.01862	2.1
55.11410	0.5
57.03444	1.7
61.02934	1.5
67.05503	1.1
69.03436	7.3
69.92976	0.5
70.06577	1.6
71.01351	0.5
71.04996	0.6
71.11108	0.9
72.08147	0.5
73.02913	1.1
78.03450	6.7
80.05031	4.3
81.03437	4.4
83.04995	1.0
85.02418	1.0
85.02915	12.3
86.09722	1.7
87.04473	1.3
95.01324	0.6
95.04974	1.9
96.04497	3.3
97.02905	11.0
99.04455	2.6
103.03953	2.6
106.02929	20.1
107.05012	0.6
107.30777	0.5
109.02153	0.4
109.02884	10.5
111.00801	1.0
111.04469	1.7
113.02396	1.4
116.07111	1.6
121.62025	0.5
121.99384	0.5
123.04427	2.8
124.03970	100.0
127.03932	43.5
137.06020	0.5
139.03926	6.7
141.05484	1.5
142.92224	0.6
144.19176	0.7
145.05026	0.8
149.06082	0.8
151.03902	4.0
166.05151	1.2
166.08621	0.9
169.04987	7.2
184.05943	0.6
184.09723	2.2
187.06024	8.7
205.07188	1.2
232.06088	1.9
250.87234	0.6
258.42526	0.6
274.07095	0.5
292.08112	1.1
310.09286	2.6
328.10303	18.2
328.15387	2.6
346.11264	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	346.1649
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
50.92867	0.7
58.06577	0.8
60.04537	1.8
67.28492	0.7
69.54252	4.0
69.54655	1.4
72.04519	6.0
79.05507	1.2
81.07042	1.2
82.64124	0.7
91.05456	1.9
94.04184	1.3
99.08094	0.8
109.06509	1.5
115.05461	10.1
117.07012	1.2
119.04979	1.7
122.03673	3.8
131.04936	0.9
132.08145	1.1
137.05983	100.0
138.06297	1.4
139.54521	0.7
143.04932	37.2
149.06001	1.5
151.03899	0.8
151.07552	5.9
160.05235	4.0
160.07573	2.3
161.05971	2.1
163.07602	1.3
165.06996	1.1
167.08565	1.1
175.07555	27.5
176.06992	1.7
176.08360	1.2
177.07849	3.6
179.08508	2.5
183.13797	1.6
184.14160	2.0
187.14539	1.0
190.08659	4.5
191.09410	2.3
192.10199	25.9
195.08063	1.6
197.05974	1.0
206.11789	2.8
207.08018	5.0
208.09735	1.0
210.06952	1.1
211.07541	1.5
221.06023	1.7
223.07542	1.4
225.09193	3.9
227.10686	1.9
235.07582	3.7
239.07062	1.2
239.10692	3.0
253.06329	0.9
253.08548	4.4
255.10072	0.8
264.10358	1.0
265.08762	1.2
267.10150	6.5
271.09634	1.4
274.11914	3.6
285.11282	4.3
286.11984	6.4
287.12689	1.8
296.12747	1.5
297.11206	2.7
299.12778	24.0
301.14227	1.3
315.12296	1.4
328.15521	5.1
329.16254	5.7
346.16489	97.8
347.16812	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30163	3.1
62.23388	3.5
68.27539	3.3
69.37627	27.3
79.05520	3.0
81.07020	5.5
83.04970	3.4
91.05484	6.2
103.05481	18.1
105.07039	4.6
107.08653	3.8
117.07029	5.6
119.05015	4.1
121.06498	6.7
122.03651	6.4
123.04408	5.0
123.08057	3.7
131.04935	24.4
137.05984	67.8
139.03954	5.2
146.06926	3.7
151.07532	18.2
155.06042	8.5
162.06812	7.1
163.07544	43.7
165.09143	4.1
175.07590	6.5
177.09117	100.0
182.07268	3.5
183.05571	6.1
191.07043	11.9
195.10155	9.5
221.11835	4.2
229.06039	7.1
253.06023	6.6
253.08568	5.4
267.10159	6.2
269.08133	3.3
276.71472	3.4
285.11392	7.7
295.09378	4.0
299.09348	5.4
304.26440	3.6
306.40698	3.7
309.37943	3.4
313.07114	3.6
313.10669	14.0
314.11237	4.2
327.05997	7.1
327.12454	6.2
345.13260	14.8
347.77835	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	345.2273
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.03955	4.2
54.48335	3.1
54.97629	2.9
55.01873	6.4
55.05515	40.7
67.05511	16.6
69.03444	5.9
69.07071	19.3
71.56120	5.8
79.05489	17.0
81.07059	20.2
83.04990	7.0
83.08632	23.3
91.05491	14.2
93.07054	16.3
95.04997	4.1
95.08623	12.6
97.10184	54.4
105.07047	13.6
107.08593	22.2
117.07060	8.3
119.08596	8.8
121.10150	11.6
125.09630	52.6
129.06973	3.1
131.04944	4.1
131.08565	8.4
133.10181	3.7
135.08063	7.1
137.05969	8.6
139.11183	19.8
143.08617	4.9
144.50710	3.3
144.71671	3.6
145.10080	7.6
153.09143	17.1
155.08432	5.2
157.10124	5.1
157.12250	8.4
159.11714	14.3
163.50363	3.4
165.07022	4.3
171.10242	5.5
179.07085	3.8
189.11244	100.0
217.15948	3.3
221.08122	6.1
243.47339	3.6
309.20648	4.6
345.09833	4.7
345.13666	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	345.3001
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
55.05510	21.5
57.03440	7.4
57.07080	100.0
67.05510	28.1
69.07059	17.4
70.39832	4.4
70.40234	5.7
71.08638	65.0
73.23952	2.2
75.04476	3.8
75.06812	2.5
76.45874	2.2
77.40108	2.4
79.05474	3.4
81.07065	49.3
83.08626	28.7
85.06499	2.6
85.10186	37.6
89.06046	3.4
91.05465	4.9
93.07044	7.0
95.08618	63.2
95.09235	3.9
97.10197	27.0
98.20802	2.5
105.07069	3.4
109.10181	30.8
109.25124	2.7
111.11726	7.0
119.08586	4.5
119.29664	3.0
121.10173	6.4
123.11725	14.8
131.08530	4.9
133.10124	4.5
135.11719	3.4
137.13239	4.8
137.19926	2.5
139.20938	2.8
147.11676	3.4
159.11728	6.2
173.13405	2.8
177.12762	3.0
193.15808	2.7
207.14131	2.7
253.25215	18.1
271.26328	6.2
327.28925	68.6
345.24045	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	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16395	1.3
61.69454	1.4
70.52162	3.4
70.68198	1.4
79.05486	2.0
79.75963	1.3
91.05486	2.4
94.04160	3.9
103.05477	10.4
105.07021	4.6
117.06973	1.3
121.06519	1.4
122.03689	8.6
131.04951	12.3
133.06511	14.5
135.08064	6.9
137.05991	100.0
138.06360	1.6
145.06477	4.5
151.07524	6.5
163.07553	28.2
171.08038	2.2
181.06525	2.9
189.09196	1.7
191.03423	2.4
191.06987	3.3
205.82765	1.6
211.07462	1.6
225.09236	1.4
295.09631	1.9
299.09103	6.0
313.10739	5.5
327.12140	4.2
343.48138	1.7
345.13382	5.6
345.21573	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	344.1857
Annotation	Laudanine
Peak:m/z	Relative Intensity
56.44131	0.6
58.06583	1.7
69.65046	0.6
71.00533	1.3
78.71427	0.6
91.05491	6.4
93.07016	1.0
94.04170	1.3
95.04990	1.2
103.05462	1.3
107.04967	0.7
108.84973	0.6
109.06547	0.7
115.05462	1.8
117.07060	1.0
119.04965	6.4
121.06531	5.3
122.03662	3.4
128.06218	0.9
129.06993	0.8
131.04884	1.5
136.05167	0.8
137.05983	52.9
143.04955	5.0
144.05649	1.8
145.06479	1.4
147.04387	3.0
150.06717	0.6
151.06427	1.0
151.07552	13.4
158.07271	8.0
159.04373	1.4
159.08078	1.3
160.05263	0.7
162.09180	2.0
163.07533	1.9
165.07173	0.6
165.09073	2.2
174.06773	8.8
174.09129	1.4
175.03946	5.8
175.07565	2.6
176.10765	0.8
177.07732	1.0
177.09126	0.7
188.10643	0.7
189.09122	21.4
190.08583	6.8
191.09427	4.7
192.10229	4.4
206.11772	100.0
207.06543	12.4
207.12054	1.0
209.09734	0.8
211.07475	0.6
221.09735	0.9
223.07462	0.9
237.09181	0.9
238.09866	0.8
239.10703	1.4
241.12283	1.3
253.12231	1.6
254.09151	0.8
266.09158	0.6
267.10205	3.8
270.12451	0.9
281.11615	1.7
282.12567	3.6
283.09787	0.9
286.11835	0.8
298.11966	3.6
301.14322	1.6
313.14352	13.5
327.11353	1.9
333.71268	0.7
344.18573	66.6
355.28259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
59.04708	3.1
59.05003	60.4
61.02908	2.0
61.08971	1.4
65.03940	1.6
67.05520	1.4
69.03421	6.9
70.06602	1.9
71.05013	1.7
74.06077	1.9
77.06023	2.0
81.03415	2.8
82.35213	1.5
82.40886	1.4
85.02910	20.6
89.06042	17.2
91.05476	4.6
93.08930	1.5
95.23278	1.5
97.02874	6.1
99.04415	1.7
99.68327	1.4
103.07584	58.0
105.07044	1.6
105.88190	1.7
109.02885	2.8
116.82549	1.5
119.04922	9.0
121.02859	4.4
121.08642	2.1
121.87019	1.3
122.03165	2.1
122.06036	9.4
123.04417	3.5
127.03918	6.0
128.99979	1.5
133.08604	6.2
136.07556	2.9
137.05980	4.5
145.05023	3.8
146.05997	3.4
147.04416	43.8
164.07080	52.9
165.05492	18.5
165.11235	100.0
182.02763	2.9
182.08128	4.0
182.11861	1.8
192.10196	2.3
194.07379	1.4
326.12411	5.8
344.14777	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	345.1333
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01890	1.8
65.03958	1.7
69.95902	1.1
79.05515	2.7
81.07099	1.6
85.02943	1.5
91.05471	6.7
93.07092	2.0
95.04985	1.8
95.08663	1.8
103.05494	3.0
105.07039	2.9
106.85722	1.1
107.04986	2.8
107.08624	2.5
109.02943	1.4
109.06542	2.4
111.04452	2.1
115.05486	2.1
117.07055	1.4
119.05027	1.9
119.08624	1.4
121.06505	6.0
122.03670	2.3
123.04468	2.5
125.06037	3.0
131.04964	3.2
133.06522	1.4
137.05988	34.7
138.06364	2.9
140.92137	1.2
141.07039	1.3
142.69725	1.2
143.04976	3.6
145.06488	1.3
146.03670	2.5
147.04509	1.6
147.08101	1.1
149.06032	6.9
151.03963	2.3
151.07567	2.0
153.05536	2.4
154.07793	2.7
158.07391	1.5
160.05273	2.4
161.05997	37.5
161.09659	1.5
163.07587	3.4
165.07007	14.2
165.09157	1.3
167.07115	2.0
167.08597	3.4
169.06610	1.3
172.03937	1.4
175.03984	1.5
175.07562	6.7
176.04446	1.5
177.05544	1.7
177.09163	1.3
178.07831	1.5
179.07063	5.0
179.08643	4.8
181.05060	1.7
181.06554	3.3
182.07326	7.6
187.03938	1.3
188.04694	7.9
189.09335	1.3
190.09216	1.4
191.07065	7.5
192.10194	2.0
193.06512	17.8
193.10579	2.3
194.07333	3.0
195.08122	1.6
196.08904	3.0
197.06166	2.4
197.09700	4.9
199.07503	1.6
203.07066	15.7
203.10670	1.3
206.07320	1.8
206.11752	6.9
207.08138	4.1
207.12155	8.8
208.06868	2.7
209.06133	2.8
210.06709	16.5
211.07642	4.6
221.06032	26.8
221.07986	2.3
222.06750	2.2
223.07587	2.9
224.08388	5.4
225.05573	2.8
225.09132	32.7
226.09534	1.8
227.07126	6.5
229.12294	1.3
234.06787	2.7
235.07610	4.9
237.05475	2.3
238.06252	13.7
239.07072	4.5
239.10612	4.3
239.14366	1.9
242.09451	1.6
249.09164	4.1
251.07080	3.3
252.07854	7.0
253.08618	50.8
254.09236	3.5
255.06590	4.0
266.09204	3.3
267.10226	18.4
267.13443	1.7
268.09607	2.9
270.08868	7.4
277.08609	6.4
280.07388	2.1
281.11508	2.6
283.09024	1.8
283.12024	4.5
285.11258	100.0
286.11639	3.3
294.08786	3.0
295.09702	6.9
299.11737	1.9
309.11279	13.7
313.10852	4.9
314.13913	6.6
327.12308	75.9
327.15341	3.4
328.12531	2.9
345.09085	2.3
345.13504	5.5
345.19000	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	344.1496
Annotation	N-Trans-Sinapoyltyramine
Peak:m/z	Relative Intensity
53.03938	1.5
58.06602	2.3
58.36849	0.9
65.03943	1.2
70.11837	4.2
79.05529	0.9
80.34502	0.8
83.41753	0.8
86.09742	0.9
89.03920	1.0
91.05491	28.9
93.07051	6.2
95.04993	2.3
98.20769	0.9
99.67690	0.8
103.05482	6.2
105.04512	1.1
115.05501	1.2
118.04179	1.1
119.04960	31.0
121.06521	30.4
122.03656	2.2
129.06995	0.9
132.02071	1.7
137.05988	30.3
143.04947	2.0
145.02863	4.0
147.04425	26.8
149.02370	1.0
151.07579	8.2
157.04010	2.2
158.07304	5.0
162.09158	1.0
165.09210	1.0
170.49829	1.0
174.06767	4.4
174.09277	1.0
175.03929	44.9
175.07506	2.1
176.04332	1.0
177.05521	5.3
177.07849	1.0
179.07080	1.3
189.09109	13.1
190.08655	3.4
191.09433	3.1
192.04230	1.3
192.10265	7.1
206.10281	0.8
206.11783	52.2
207.06551	100.0
208.06874	2.2
237.08917	1.2
267.10150	2.5
281.11771	1.0
282.12558	1.7
283.09674	1.0
298.07990	1.1
301.14337	1.6
313.14401	5.8
327.11414	2.3
344.14899	9.1
344.18622	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	344.1496
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
56.05037	4.8
58.06610	8.1
60.04532	27.4
63.75866	0.8
68.00276	0.8
69.03419	1.8
70.06605	1.7
70.87328	2.0
73.72775	0.8
74.06086	35.5
81.03435	1.4
84.23347	0.7
85.02909	8.0
86.09711	1.7
91.05479	2.9
97.02897	1.6
99.36974	0.8
103.30915	0.7
109.02869	1.3
110.07114	0.7
116.07113	2.0
119.04926	8.5
123.04479	1.9
127.03935	1.9
131.05005	0.8
137.06000	6.5
143.04849	1.2
145.04985	1.8
147.04419	44.0
148.04742	0.9
151.07561	1.0
153.07024	1.0
165.05511	22.3
165.06897	1.6
175.07585	1.9
177.05562	0.8
178.08525	1.2
181.06496	2.2
183.08025	1.1
183.75926	0.8
192.10208	6.0
193.06480	0.9
197.06035	1.1
199.07587	1.2
201.12398	0.9
205.06505	2.3
211.07500	4.3
212.08302	2.0
213.09134	1.2
221.06055	1.2
222.06769	2.1
225.09102	2.5
226.09924	0.9
227.07115	4.1
227.09036	1.2
228.07951	1.0
233.05975	1.8
235.07660	1.1
237.05516	1.3
237.09117	3.8
239.07082	3.0
240.07797	1.1
241.08633	2.8
242.09454	1.3
242.11804	2.2
243.10236	3.9
251.07147	2.4
253.08665	2.5
255.06566	4.1
255.09943	0.8
256.13397	1.5
257.11810	1.2
263.06998	1.4
265.05161	0.9
265.08630	4.6
266.09387	1.6
268.13391	2.8
269.08139	1.8
270.08929	5.7
271.09586	2.6
272.10495	1.1
282.08856	3.7
284.12805	4.7
285.11224	4.6
295.09488	1.3
297.11224	2.6
298.11111	1.1
298.14240	1.9
299.15204	2.5
301.13315	0.8
312.12183	2.3
313.10641	1.1
326.13815	4.3
327.14594	2.4
329.12668	1.0
344.14966	100.0
344.18530	7.0
345.15228	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	344.1496
Annotation	N-Trans-Sinapoyltyramine
Peak:m/z	Relative Intensity
50.01611	0.4
50.98134	0.2
51.02376	0.4
53.03962	1.3
55.01875	0.5
61.97857	0.2
65.03939	1.4
65.54572	0.2
67.05520	0.2
67.96416	0.2
70.03125	1.0
73.27087	0.3
77.03931	1.2
81.03403	0.3
89.03922	0.6
91.05487	27.7
92.05830	0.3
93.07053	8.8
95.04971	2.7
98.21441	0.3
103.04790	0.4
103.05478	7.6
103.06930	0.2
105.03426	0.7
105.04532	0.8
106.12592	0.2
117.03424	0.3
118.04167	0.5
119.04952	31.1
120.05249	0.4
121.06514	35.3
122.06908	0.5
129.03389	0.4
131.04861	0.4
132.02072	1.4
135.04370	0.5
136.05225	0.4
137.06035	0.3
138.09105	0.3
145.02843	0.8
147.04424	26.5
148.04776	0.4
149.02402	0.8
149.05954	0.3
150.03203	0.2
157.03970	2.5
164.04739	1.2
166.06248	0.6
174.55650	0.3
175.03920	44.4
176.04303	1.0
177.01776	0.2
179.07056	1.5
181.08635	0.2
192.04189	1.7
207.06541	100.0
208.06842	1.8
219.56090	0.2
225.39772	0.2
245.13641	0.2
257.06870	0.5
281.06561	0.3
326.06705	0.3
331.96597	0.2
344.14990	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	344.1497
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
50.47267	0.8
56.05027	3.8
58.06605	33.3
60.04530	18.8
63.98845	0.8
70.06587	4.0
71.55730	1.3
71.56100	1.0
72.08152	2.2
74.06089	19.8
84.59373	0.8
85.02922	1.4
86.09711	3.8
91.05511	1.8
97.02914	0.9
103.05450	1.3
115.05457	2.2
116.07069	4.7
119.04926	2.0
121.06457	1.1
122.03699	0.8
122.06066	1.2
123.04459	1.0
127.03950	1.0
130.14262	0.8
137.05988	13.0
138.09222	0.8
139.45076	0.8
140.07040	1.4
143.04942	7.0
147.04442	1.2
151.07544	9.3
153.06992	1.3
154.08571	1.2
160.05208	1.0
163.03873	0.8
164.01678	1.0
165.09122	1.1
171.01056	0.8
174.09085	0.8
175.07535	6.0
178.08766	1.0
179.08582	0.9
181.06499	2.7
182.02661	1.1
182.08171	3.5
192.10191	11.2
193.06453	1.3
197.06047	1.0
201.12418	2.3
205.06543	1.3
207.08122	1.4
209.05988	2.0
210.06950	0.8
211.07602	2.6
213.09267	0.8
221.06033	1.4
223.07518	0.8
225.09157	2.0
226.06476	1.1
227.07072	3.6
235.07581	2.8
237.08961	2.0
239.07124	4.0
239.10776	0.9
241.08691	1.4
242.09479	1.1
243.10257	1.5
249.05443	1.4
251.07088	1.4
253.08676	1.6
255.06599	2.0
257.11755	1.6
263.07047	2.8
265.08633	2.9
266.08984	1.2
266.11890	1.6
267.06473	1.5
267.10156	0.9
268.09750	1.0
268.13165	1.1
269.08267	1.2
270.08826	2.9
271.09598	2.1
281.08093	1.9
282.08829	1.8
284.12848	1.5
285.11249	2.9
296.09216	2.1
297.10962	1.5
298.14398	1.6
299.12793	3.5
310.10852	1.5
312.12399	2.0
313.10229	3.6
314.10223	1.8
326.10165	2.4
326.13956	6.2
327.08585	1.1
327.14694	1.2
328.07941	1.2
328.11816	19.7
329.12558	11.7
344.11920	4.1
344.14890	100.0
344.18655	33.7
345.15149	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	344.1494
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
55.01873	0.2
57.10953	0.2
63.02362	0.4
65.03928	0.7
65.12099	0.2
70.19306	0.4
70.19691	0.6
77.03892	0.2
79.05480	0.4
81.57394	0.2
89.03918	6.7
91.05482	8.4
92.05804	0.2
93.07059	0.4
95.04964	1.3
95.08574	0.3
103.05455	0.8
103.92543	0.2
105.03398	0.3
105.07005	0.3
106.04194	0.5
107.04993	0.5
114.73465	0.2
115.05408	0.2
117.03382	21.4
119.04953	5.7
121.06488	1.2
123.04434	0.7
123.08097	0.2
124.37487	0.2
128.12080	0.3
131.04929	0.4
134.03662	1.1
135.04422	2.2
136.05165	0.7
137.05975	1.0
145.02846	50.3
146.03192	1.0
147.04408	0.9
149.05989	6.6
151.03923	0.3
151.07539	7.2
158.06015	0.3
162.03227	0.2
163.03885	0.8
167.07028	0.2
175.03905	1.4
177.05470	100.0
178.05779	1.5
186.05531	0.8
191.03391	2.2
191.07019	0.3
192.03851	1.1
192.10173	0.5
194.07898	0.2
207.06531	2.8
226.08592	0.3
239.06897	0.3
252.06628	0.5
254.08110	0.4
257.06833	1.3
268.06198	0.3
270.07727	0.3
281.06796	0.5
282.07568	0.4
299.09125	0.2
313.10666	0.5
326.06485	0.3
327.12024	0.4
328.45660	0.2
344.07962	1.0
344.11569	0.7
344.15485	2.1
345.13058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01856	3.8
55.05502	3.1
57.03426	5.1
57.07072	2.3
59.04979	1.5
61.02925	7.8
67.05505	3.1
69.03431	19.6
69.07059	2.8
71.04983	3.5
71.47115	2.1
73.02914	3.2
79.05502	5.9
81.03426	11.4
81.07053	7.0
83.04980	12.1
85.02910	55.9
85.06544	2.0
87.04462	3.7
91.03960	3.2
91.05481	12.7
93.07056	10.4
95.04980	28.0
95.08601	3.6
97.02895	17.7
97.06507	4.7
99.04457	4.6
103.05463	2.5
105.07034	8.1
107.04959	3.9
107.08598	9.8
109.02890	7.7
109.06515	6.3
109.10155	2.5
117.07013	4.1
119.04948	7.5
119.08573	5.2
121.06511	14.2
121.10168	10.5
123.04462	3.2
123.11702	1.3
125.05997	33.5
127.03939	12.5
128.06111	1.4
129.06990	2.1
130.07788	2.9
131.04875	1.3
131.08600	2.1
133.10126	2.1
134.93408	1.4
135.04407	1.4
135.08070	2.9
135.10815	1.5
135.11684	7.8
137.05997	5.2
143.08546	1.3
145.04930	15.2
145.10118	15.0
147.04416	8.3
147.07964	1.6
147.11641	1.7
149.06046	2.5
153.05453	1.5
161.06024	2.2
163.03944	1.3
163.07523	3.1
163.11189	100.0
164.11504	2.3
165.06984	2.0
165.12767	6.6
167.07071	3.6
174.06726	1.3
175.03937	13.0
175.07571	2.3
181.05011	7.6
181.06358	1.8
181.08620	1.7
181.12245	32.4
183.11676	1.4
191.03362	3.6
191.06955	2.4
193.12228	1.7
195.07957	1.6
205.12292	1.9
207.06541	22.7
213.54782	1.3
222.06728	2.3
223.07329	2.2
225.05647	2.1
238.09354	2.0
239.06931	2.1
254.09044	1.4
255.10033	1.6
257.08258	2.5
265.08612	1.7
266.08887	4.7
268.06876	3.1
281.11240	1.7
282.08624	4.0
283.09534	3.9
285.07422	2.7
296.06631	2.1
296.09726	7.4
297.09833	1.9
300.09790	1.5
312.13089	2.2
328.09497	1.6
343.07983	2.4
343.11694	27.5
343.15503	1.8
343.26163	1.8
344.11459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	2.0
55.05510	4.5
57.03419	1.1
61.07845	1.3
65.03938	2.9
67.05508	6.6
69.03419	5.3
69.07056	3.7
79.05490	8.6
81.03420	5.7
81.07057	8.6
83.04987	2.3
85.02893	5.1
85.06541	2.2
89.37103	1.0
91.05482	19.2
92.62260	1.0
93.03404	2.1
93.07051	8.2
94.04176	2.7
95.04984	7.9
95.08617	6.0
97.02867	1.6
97.06490	2.2
99.04434	3.4
99.08097	1.1
103.05470	51.6
105.07049	9.8
107.04949	10.2
107.08591	9.1
109.02886	1.8
109.06497	7.2
109.10157	3.0
111.04467	3.7
111.08058	1.4
115.05465	8.1
117.07032	9.2
119.04954	7.5
119.08603	4.8
121.06507	8.6
121.10147	4.0
122.03658	7.0
123.04423	8.5
123.08052	2.0
125.05989	5.5
125.09636	3.4
127.03941	1.8
128.06166	1.5
129.07025	2.1
131.04932	31.0
131.08562	7.8
133.06491	4.0
133.10107	2.9
135.04445	1.7
135.08052	12.7
135.11681	2.2
136.05234	1.9
137.05984	100.0
137.09605	1.7
139.03896	4.1
141.07030	2.7
143.04892	4.2
143.08568	2.9
145.06493	28.4
145.10139	5.5
146.03624	1.8
147.04445	7.0
147.11691	3.2
148.05135	5.6
149.06003	8.4
149.09596	1.5
150.06804	1.5
151.03963	3.1
151.07553	36.9
153.05487	7.8
153.06715	1.3
155.08487	1.9
157.10136	2.4
158.07283	4.2
159.08047	14.9
159.11685	2.9
161.05983	64.8
161.09653	1.6
161.13307	2.1
162.06769	8.6
163.03896	2.2
163.07555	48.8
163.11191	5.8
164.08376	2.5
165.05559	2.0
165.06969	2.7
165.09129	2.1
167.07103	9.3
167.08450	2.1
169.06467	2.7
169.10080	1.4
173.09650	5.3
173.13298	2.0
175.07544	8.2
176.08319	3.1
177.09105	12.5
179.07062	5.4
179.08563	1.8
180.28261	1.1
181.04964	11.7
181.06488	3.0
181.08609	2.9
181.10283	1.2
181.12248	2.9
187.07622	4.1
189.07060	1.5
189.09145	2.9
190.07762	1.3
191.07048	12.1
191.08716	1.7
191.10654	9.6
193.08681	8.0
194.07384	1.9
195.07971	2.9
197.05936	1.7
199.14769	1.2
201.09157	5.8
202.09842	1.5
204.07816	18.2
205.06775	1.3
205.08583	5.9
205.10239	2.4
207.06415	1.7
207.08102	3.3
209.09441	1.6
210.06830	1.6
211.07603	2.5
216.20294	1.1
218.07288	2.3
219.10179	44.5
219.12276	2.6
221.06036	3.7
222.06641	3.0
223.07523	2.8
224.08270	2.0
225.05466	1.7
225.09149	2.3
233.09723	5.8
234.06676	1.6
235.07559	5.1
237.09117	3.8
239.07002	4.7
239.10616	1.8
240.07845	1.2
241.08539	1.7
242.05806	1.3
250.06300	1.5
250.09798	1.7
251.07022	2.0
251.10666	1.3
252.07539	1.4
253.04848	1.7
253.08665	5.5
254.05663	1.2
254.09190	2.1
255.06635	1.2
255.09900	2.1
257.08020	4.9
261.09232	6.0
263.06989	1.6
264.07794	1.8
265.12198	4.3
266.08975	1.8
267.06448	2.3
267.10141	5.6
269.08093	4.5
275.10611	1.8
278.09409	2.9
281.08081	1.9
282.08749	8.0
283.09641	3.8
284.10345	4.4
285.07614	4.1
285.11166	2.4
293.11682	11.8
295.09705	3.2
296.10355	3.6
297.11542	1.7
297.14755	2.2
299.09378	1.6
299.12915	3.3
300.09976	3.6
310.08621	2.2
310.11948	4.0
311.09070	3.7
311.12784	3.1
315.12164	1.8
325.10760	2.9
325.14310	18.6
328.09415	3.1
343.07468	1.9
343.08350	1.5
343.11700	38.4
343.15497	26.7
343.22525	2.7
343.26379	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	2'-epi-Guianin
Peak:m/z	Relative Intensity
53.03942	1.7
55.01868	2.2
55.05504	1.2
57.07067	2.3
60.54758	1.2
65.03955	1.7
67.05509	2.3
70.22803	3.7
71.05003	1.6
76.85849	0.9
79.05486	4.9
81.03450	1.3
81.07043	4.3
83.04977	1.3
83.08616	1.6
89.03889	1.2
91.05483	13.9
93.07050	3.8
95.04964	3.4
95.08615	3.7
102.04658	1.3
103.05468	10.1
104.05787	1.0
105.03372	1.8
105.07030	11.5
106.04144	1.8
107.04961	14.1
107.08592	2.6
107.40689	1.1
109.02866	1.4
109.06514	2.7
109.10197	2.0
115.05447	12.3
117.03374	1.5
117.07020	4.0
119.04966	3.0
119.08578	2.5
121.06508	4.2
121.10146	2.0
122.03632	3.3
122.07292	3.4
124.05206	2.8
125.06117	1.3
128.06201	1.2
129.07040	2.2
130.04137	3.2
131.04951	9.4
131.08575	2.4
132.05554	1.1
133.06500	7.4
133.10136	1.3
135.08087	2.0
137.05980	30.8
141.07007	10.7
143.08551	1.5
144.05693	1.5
145.06499	7.4
145.10143	1.9
146.03590	7.6
147.04428	3.6
147.08034	2.9
149.05951	7.1
151.03920	5.2
151.07556	7.4
153.07045	2.4
157.06456	1.7
158.07278	2.5
159.04460	2.2
159.08058	3.1
160.05200	3.0
161.05988	58.8
162.06744	5.0
163.07547	10.2
165.07040	4.4
166.07776	3.9
167.07072	2.4
167.08521	2.4
169.06506	11.9
169.10074	1.2
170.07384	2.6
171.08009	1.5
172.05206	1.3
173.05981	2.7
173.09641	3.3
174.06839	2.5
175.07558	43.5
177.05534	1.9
177.07001	2.8
177.09161	4.4
178.07837	2.6
179.08583	6.9
181.04922	5.2
181.06502	6.4
181.08575	1.8
181.10069	1.3
183.08055	2.3
183.11745	2.0
185.06073	1.6
185.09746	1.2
186.06834	4.0
187.07541	3.3
189.05487	1.4
189.07068	3.0
189.09126	3.0
190.07793	9.9
190.62047	1.3
191.07057	1.7
191.08585	3.4
191.10495	1.2
192.05739	1.3
193.06505	2.2
193.08618	1.9
193.10194	2.0
194.07285	10.2
195.08025	5.5
196.08884	1.5
197.06009	2.3
201.09142	10.8
202.07838	2.2
203.08510	5.5
204.09386	2.3
205.06589	6.7
205.10155	12.5
206.07224	2.0
207.06416	1.9
207.08110	8.8
207.11809	1.1
208.08885	1.8
209.06003	3.4
209.09543	6.3
210.06706	2.0
211.07593	4.1
213.09216	1.9
215.08600	4.8
217.06503	2.0
218.07269	7.7
219.08072	4.4
219.10193	6.6
220.08769	1.5
221.05939	8.3
221.09555	6.6
222.06792	11.2
222.10406	3.4
223.07541	6.6
223.11099	1.7
224.08340	7.2
225.05481	1.9
225.09163	3.5
228.40828	1.2
231.08182	2.5
232.08832	3.8
233.06082	7.5
233.09613	30.2
234.06851	5.3
234.10260	3.8
235.07497	14.6
236.08295	4.1
237.05443	4.7
237.09106	17.2
237.12744	1.9
238.06107	1.7
238.09915	1.7
239.07051	5.3
239.10741	5.7
240.07780	2.0
241.08626	4.5
246.06844	1.9
247.07452	2.4
249.05550	2.8
249.09163	6.5
250.06303	8.4
250.09869	10.1
251.07034	8.1
251.10735	5.6
252.07832	4.8
253.08646	5.9
254.09329	6.6
257.08105	3.1
260.08270	1.8
261.09113	22.6
262.09869	4.0
263.07013	5.7
264.07819	4.9
264.11295	1.5
265.08627	26.1
265.12244	16.1
266.09354	3.1
267.06622	3.7
267.10196	14.8
268.07291	1.7
268.10754	1.2
269.08124	18.5
269.11130	2.0
275.10791	1.2
277.08649	3.3
278.09399	10.3
279.10062	5.6
281.08078	3.0
282.08868	16.6
283.09647	3.5
283.13190	3.8
284.10477	15.2
285.11108	2.2
293.11710	43.4
294.12457	8.1
295.09692	6.4
296.10303	2.4
297.11252	91.7
297.14703	6.5
298.11533	2.6
299.09384	2.0
299.12775	26.6
300.09830	1.8
310.12018	16.0
311.12778	100.0
312.13235	5.5
325.14359	55.7
328.09576	2.8
343.11761	13.3
343.15424	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1544
Annotation	(-)-Chicanine
Peak:m/z	Relative Intensity
53.03944	3.2
54.42283	1.4
55.01873	3.3
55.05503	3.3
65.03930	3.1
67.05487	5.3
69.03431	2.6
69.07062	2.4
71.55146	1.9
77.03945	2.0
78.04724	3.8
79.05508	22.2
81.03420	2.2
81.07067	9.6
89.54446	1.4
91.05487	26.5
93.07057	5.7
94.04143	1.6
95.04979	11.9
95.08597	5.2
103.05489	8.0
103.62454	1.4
105.03434	1.5
105.07051	9.4
106.04179	1.6
107.04967	59.7
107.08591	4.5
109.06531	3.7
109.10152	3.7
115.05444	4.2
116.06213	2.5
117.07023	6.2
119.04922	7.4
119.08558	5.5
121.02842	3.4
121.06532	10.6
121.10121	3.8
122.03678	2.9
123.04444	7.1
123.08102	3.4
123.11720	1.5
124.05212	6.0
125.05990	6.2
128.06218	12.4
129.07016	37.5
131.04932	8.9
131.08601	15.6
133.02835	2.1
133.06480	2.2
133.10173	3.4
135.04413	4.4
135.08055	4.9
136.05202	1.8
137.05995	29.1
138.03098	1.8
141.06969	3.0
142.07782	2.3
143.08578	4.3
144.05719	2.1
144.35640	1.7
145.06506	9.8
145.10117	3.6
146.07240	4.7
147.04419	5.0
147.08035	3.4
147.11720	2.3
148.05176	2.8
149.06081	3.3
151.03918	16.2
151.07558	13.8
152.04651	4.4
153.05498	11.4
157.06505	46.3
157.10146	3.5
158.07253	2.7
159.08063	16.7
159.11720	2.3
161.05989	25.2
161.09639	14.1
163.07550	10.5
165.06979	7.2
166.06290	1.5
167.07066	100.0
167.08522	4.2
168.07343	2.1
169.06483	1.9
169.10100	2.6
171.08125	2.2
171.11777	2.2
173.05988	2.4
174.06746	12.1
175.07553	5.5
177.09088	3.1
178.07748	3.5
179.07071	2.9
179.08563	5.3
181.05025	11.5
181.06488	3.3
181.08571	10.7
182.07307	2.1
183.08069	2.1
183.11668	1.9
187.07549	5.8
187.11220	1.8
188.08296	5.9
189.09134	83.4
189.77342	1.6
190.07793	3.7
191.07037	2.3
191.08575	7.2
191.10664	10.6
191.38464	1.7
193.06522	2.5
193.10139	2.2
194.07231	4.3
195.08083	4.1
197.09645	1.8
199.07593	2.1
202.07809	1.7
203.06961	1.7
203.08949	2.5
203.10651	11.4
204.07874	3.3
205.06541	1.9
205.10181	4.0
207.08011	5.2
208.08794	9.1
211.07549	2.6
218.07449	3.2
219.08090	7.7
219.10165	13.0
221.05962	4.5
221.09648	2.6
222.06812	2.5
223.07602	3.5
223.11249	7.8
225.09128	2.7
227.07042	2.7
233.09737	3.3
235.07480	6.7
236.08307	6.9
237.09085	4.7
238.06300	2.5
239.06963	4.2
247.07600	8.8
249.09158	2.5
250.06329	2.1
250.09830	2.0
251.10757	11.3
253.08667	7.3
254.09137	2.4
255.10239	2.6
257.08115	2.2
261.09058	3.2
263.07324	1.7
264.07822	4.6
265.08420	3.2
266.97626	1.6
267.06540	4.2
267.10211	2.1
268.10809	1.6
269.08231	2.5
271.09747	2.3
279.10129	8.7
281.08246	2.5
282.08862	4.2
283.10077	3.9
283.13312	14.2
285.07755	2.5
286.12021	2.3
293.11649	4.9
296.10449	3.3
297.11081	2.9
299.09143	6.9
300.09845	3.2
302.11337	2.5
311.09534	2.0
311.12830	23.7
312.13354	3.2
314.11533	4.9
325.14261	4.3
325.21591	1.8
328.13043	2.1
343.11710	16.3
343.15430	48.5
343.22583	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	343.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
53.68670	1.4
55.01855	1.4
57.23206	1.2
58.22969	1.2
61.37365	1.0
63.03329	1.2
67.05489	2.0
69.07072	1.6
70.25371	5.0
79.05481	6.2
81.07042	3.3
85.02891	2.0
91.05476	18.7
93.07027	4.6
93.87180	1.3
94.04182	3.2
95.04936	3.3
95.08604	2.4
97.74519	1.3
103.05488	6.8
105.07041	7.5
107.04960	32.7
107.08582	4.1
109.06534	4.0
110.03651	3.3
110.21464	1.3
111.04597	1.4
115.05451	5.5
116.06273	1.6
117.07065	8.2
119.04959	9.3
119.08587	4.3
121.05737	1.6
121.06514	13.3
121.10080	2.4
122.03648	8.9
123.04383	1.7
129.06992	5.2
131.04926	5.5
131.08554	3.3
133.06479	2.4
133.10101	2.1
135.04388	2.1
135.08034	5.8
135.11713	1.4
137.05978	100.0
138.03120	5.4
138.06256	1.6
142.07803	1.4
143.08604	1.5
145.06467	4.1
145.10155	1.3
146.03578	1.6
147.04395	8.2
147.05373	1.2
147.08049	1.5
147.11670	2.4
148.05156	1.7
148.08743	1.4
149.05980	5.6
149.09610	4.2
151.03867	3.1
151.07561	9.4
153.05466	86.2
157.06506	7.0
157.10085	2.2
158.07272	1.8
159.08043	2.9
159.11642	2.0
161.05995	8.1
161.09601	1.2
162.06711	1.7
163.07552	21.9
163.11179	2.1
164.08255	1.9
165.06998	1.5
167.07043	3.8
169.06500	2.6
173.05931	1.4
174.06747	7.8
175.07553	4.3
175.31889	1.4
177.09129	24.8
179.07059	3.1
181.04950	3.4
181.06406	2.1
183.24294	1.3
187.07545	1.3
189.09117	16.0
195.06456	1.6
195.08112	2.7
201.09052	2.9
218.07339	2.1
219.08109	1.6
219.10078	2.7
221.05960	1.8
221.09790	1.4
223.07501	1.9
225.05702	1.5
233.09525	3.7
238.06306	1.8
253.12270	2.8
257.08160	2.1
261.09079	3.7
265.12369	1.9
269.07983	2.6
281.11716	1.7
282.08838	2.9
284.10349	3.4
285.07483	1.8
293.11673	9.0
300.09567	2.0
313.14307	8.5
325.14432	8.5
325.17682	1.8
343.07867	2.8
343.11725	18.9
343.15411	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	343.154
Annotation	Obovatifol
Peak:m/z	Relative Intensity
53.03942	1.6
53.89247	1.2
55.01859	4.5
55.05507	3.0
57.03427	2.5
57.07071	3.7
65.03927	2.4
67.05511	7.6
67.05813	1.5
69.07076	6.7
71.54995	2.1
75.01425	1.3
75.38371	1.1
79.05500	11.7
81.07059	8.2
83.04980	2.7
83.08600	1.9
85.02931	1.2
89.32945	1.4
91.04974	1.7
91.05488	23.9
93.07056	8.4
93.22996	1.2
95.04955	8.1
95.08602	9.6
97.06516	1.4
97.10149	1.5
103.05470	16.9
104.06255	1.8
105.03397	1.2
105.07031	10.5
107.04964	100.0
107.08591	5.7
109.06525	2.9
109.10145	3.5
111.08084	1.5
115.05450	11.0
116.06216	1.6
117.07034	6.0
119.04964	10.8
119.08562	5.6
121.06500	4.7
121.10169	3.1
122.03640	1.6
123.04405	2.4
123.08084	2.9
124.05244	2.2
125.06019	1.8
125.09592	1.7
129.06961	4.1
131.04956	7.9
131.08569	8.0
133.06508	4.5
133.10161	2.3
135.04419	1.5
135.08060	10.4
135.11662	2.6
137.05989	24.7
141.06987	1.8
142.07777	1.5
143.08467	2.7
144.86632	1.3
145.06575	6.7
145.07500	1.6
145.10115	3.3
147.04419	19.1
147.08098	2.0
147.11732	1.6
148.05173	1.6
149.05998	12.7
149.09622	1.6
149.13290	1.9
151.03931	27.8
151.05046	2.5
151.06427	2.0
151.07558	28.2
153.05486	3.4
155.08519	1.9
155.14656	1.2
157.06531	1.4
157.10124	3.4
159.08051	7.2
159.11682	2.6
161.05971	11.2
161.09644	2.0
162.06714	3.5
163.07558	87.5
164.08345	19.6
165.06976	1.7
165.09116	1.6
167.07057	5.3
167.08475	1.8
171.11682	2.1
173.09534	3.2
175.07533	3.9
175.11205	1.9
176.08299	2.7
177.09061	3.7
179.07101	13.6
179.08545	2.3
180.07835	11.6
183.07913	1.7
183.11688	2.5
187.07555	5.7
189.09171	2.0
191.07063	1.6
191.10680	26.1
191.95103	1.3
193.08643	1.5
195.08073	3.0
201.09195	1.8
201.12650	1.5
204.07860	2.6
205.08517	1.8
219.10159	9.5
223.11223	2.0
224.21558	1.3
225.09001	1.9
227.07036	1.8
227.10655	2.9
233.09602	1.8
234.10379	1.5
240.23289	1.8
251.10590	1.5
253.08606	1.6
259.09616	2.6
265.12378	2.6
271.09515	2.7
283.13498	1.8
287.12781	2.3
287.22159	3.1
293.11676	4.5
297.11267	2.8
297.14612	1.8
310.12054	1.8
311.12872	7.4
325.14154	5.9
325.18024	1.8
343.11557	2.4
343.15475	19.2
343.19876	3.0
343.24936	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	343.1024
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03940	0.6
55.01876	2.9
55.05499	0.8
56.07233	0.5
57.03435	1.1
61.02933	1.0
61.69485	0.5
65.03932	3.3
65.91038	0.5
67.05508	1.5
68.99785	0.8
69.03419	3.5
70.06593	2.6
71.01359	0.7
71.57468	1.1
73.02920	0.8
79.05461	0.5
81.03421	3.7
83.04974	1.7
83.70011	0.4
84.08119	0.7
85.02908	5.7
85.30672	0.5
86.06054	0.6
86.09725	1.1
91.05477	1.1
93.03355	0.7
95.01314	0.6
95.04977	2.2
97.02911	6.1
99.04453	1.3
103.03959	0.9
105.07019	0.8
109.02893	6.9
111.04442	3.8
113.02339	0.5
119.04977	0.6
121.02872	100.0
121.03881	3.1
122.03173	1.2
123.04446	2.3
125.02341	0.8
125.06055	0.6
127.03922	19.6
136.07622	0.6
136.08765	0.6
137.05966	0.7
139.02904	1.0
139.03894	8.7
141.05458	0.8
141.58960	0.5
147.04416	1.3
151.03859	2.4
156.15295	0.5
157.04982	1.0
163.11143	0.8
169.04991	4.6
179.03468	1.1
179.72180	0.5
180.03839	0.6
181.05072	4.0
187.06030	2.9
190.47467	0.5
191.03363	0.7
200.14017	0.6
235.93800	0.6
261.31403	0.5
307.08167	0.5
325.08994	0.6
325.14066	0.6
343.13492	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
53.03947	1.1
54.66521	0.8
55.01873	3.3
55.05512	1.0
57.03438	1.1
57.07056	1.2
65.03928	2.7
67.05508	4.1
69.03436	0.9
69.07063	3.2
71.04990	1.1
71.57367	1.2
79.05484	5.6
81.03413	1.7
81.07067	4.9
83.08620	1.1
91.05483	36.9
93.07049	5.8
95.04968	7.8
95.08607	4.5
95.65351	0.7
97.06549	1.1
103.05475	16.2
104.06271	1.4
105.04485	1.1
105.07030	12.7
105.61337	0.9
107.04961	15.4
107.08584	2.3
109.02879	2.2
109.06502	1.2
109.10146	2.1
111.08080	1.2
115.05423	4.8
116.06248	1.2
117.07016	3.0
119.04943	24.7
119.08561	2.0
120.05731	0.9
121.06497	3.6
121.10155	2.3
122.03699	1.4
123.08091	1.4
123.11649	1.2
124.05216	8.8
125.06005	2.0
128.06215	0.9
129.06993	1.5
131.04942	6.0
131.08585	4.5
132.05730	1.4
133.06474	5.0
133.10126	2.6
135.04417	1.6
135.08092	5.5
135.11723	1.9
136.05161	2.8
137.05997	13.3
141.07028	1.2
143.08528	2.0
144.05716	1.0
145.06474	2.3
145.07607	1.1
145.10121	2.8
147.04417	44.8
147.08121	1.2
147.11647	2.0
148.05052	0.9
149.05977	13.0
149.09641	0.9
150.06766	1.5
151.03944	19.5
151.07552	100.0
153.05475	2.1
155.08566	1.2
157.10136	1.8
158.07304	1.4
159.08076	3.8
159.11662	2.7
161.06007	4.3
161.09587	1.6
161.13252	1.2
162.06755	3.1
163.07550	33.0
164.08318	4.8
165.06990	0.9
165.09129	1.6
167.07065	1.0
173.09657	1.4
175.07532	1.3
175.11176	1.3
176.08362	1.3
177.05362	1.0
177.09174	1.3
178.06252	2.0
179.07043	33.4
180.07808	25.5
181.04930	0.9
181.10120	1.1
183.11737	1.1
185.13274	1.6
187.07536	3.2
188.08098	0.9
189.12741	0.9
191.10686	25.2
197.09804	0.9
201.09105	0.9
203.10593	1.4
206.10992	0.9
219.10153	4.7
224.08459	1.0
237.12697	1.0
240.23215	1.8
241.08568	0.9
242.63957	1.2
245.11900	0.9
253.08542	0.9
284.10468	2.1
297.11154	1.5
311.12939	1.2
313.37515	1.0
325.14325	2.3
325.21603	1.1
343.11670	2.3
343.15399	4.0
343.19107	2.0
343.22577	2.7
343.26291	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.8
69.45627	10.2
69.87004	1.5
98.20633	1.7
98.97601	8.0
116.98614	5.9
130.69302	1.4
134.99655	1.6
172.14201	1.7
177.00983	6.5
192.98997	1.5
201.00856	1.4
216.98846	5.1
218.98457	1.9
219.01981	12.5
220.02234	1.7
221.01723	1.5
234.96399	2.2
234.99921	14.3
236.00153	1.6
236.99529	3.0
240.98993	5.8
252.97491	2.0
253.00908	2.0
258.97076	2.6
258.99988	33.5
260.00082	2.7
261.00436	2.6
261.03003	13.6
264.98932	4.5
266.70755	1.7
273.98605	1.7
276.97647	4.0
277.00995	24.9
278.01135	2.2
283.00006	82.2
284.00085	6.1
300.97739	7.1
301.01053	100.0
302.01089	9.0
318.98575	9.8
319.02231	3.7
324.02820	3.5
325.00943	13.2
326.01154	1.9
343.02121	66.5
344.02307	4.0
360.99637	3.0
361.03152	15.6
362.03195	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.77386	0.4
50.95950	0.5
52.06346	0.4
53.03944	0.6
55.01864	2.1
55.05507	0.7
61.02928	0.8
65.03947	4.2
67.05492	1.1
69.03435	5.9
70.06586	1.5
71.01366	0.7
71.04987	0.5
71.57658	0.6
72.08167	1.0
72.48869	0.4
74.09750	0.4
79.05495	0.5
81.03423	4.7
83.04977	1.6
84.08168	0.9
85.02927	3.2
86.09702	0.9
91.05814	0.8
93.07103	0.5
95.04996	3.2
97.02892	5.9
99.04453	1.3
101.02391	0.5
103.03957	0.5
109.02879	2.1
111.04445	5.1
114.61483	0.5
116.07100	0.6
121.02877	100.0
122.03232	0.7
123.04443	1.9
127.03893	2.3
139.02893	0.9
139.03905	6.5
141.05457	1.3
145.04979	0.5
147.04442	0.8
151.03906	4.6
151.07526	0.8
163.90880	0.5
165.05533	0.6
169.04991	3.1
181.04990	5.3
181.06526	0.8
187.06052	0.8
244.87842	0.5
257.98007	0.5
312.05975	0.7
325.09155	3.6
325.14783	0.6
343.09726	0.8
343.13687	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	342.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24384	1.6
55.01881	1.8
58.06598	2.1
60.04528	4.0
64.76517	1.4
67.05515	2.6
70.46857	4.3
79.05488	1.8
81.07072	3.2
83.04954	1.7
91.05476	6.6
93.07070	3.9
99.04403	2.4
104.84634	1.4
105.07049	8.7
117.07037	4.5
119.04966	2.0
119.08564	5.1
121.06519	2.6
128.06290	2.4
129.06978	3.5
131.04849	1.8
131.07726	1.6
131.08548	9.1
133.10176	2.2
137.05974	2.3
141.07008	5.4
141.77528	1.5
142.07787	3.1
143.08565	4.6
145.06494	2.4
145.10120	3.4
147.11673	1.8
151.07593	1.6
153.07005	4.1
155.08557	9.2
157.10149	8.8
159.08134	3.2
159.11681	3.9
161.06039	2.9
163.07593	1.9
165.07054	2.7
166.07811	1.7
167.08647	2.2
168.09344	8.6
169.10130	4.3
171.11728	1.5
173.09569	1.4
173.13295	4.7
175.07657	2.2
176.06148	1.3
177.07031	7.6
179.08588	2.9
181.06497	3.4
181.10150	1.8
183.10057	2.1
183.11705	40.6
185.09729	1.6
187.11244	4.6
191.08604	2.1
193.10143	3.3
194.07315	2.9
195.08032	1.6
201.12758	20.0
202.07932	1.4
205.06506	29.8
206.07230	1.7
207.08115	4.6
209.05954	2.6
211.07629	2.2
211.11241	9.7
219.08115	2.7
219.13802	3.2
221.06010	3.4
222.06784	7.6
223.07565	2.4
224.08418	2.7
225.09116	5.7
229.12247	33.6
233.05971	17.7
235.07578	39.4
236.08327	4.8
237.05539	1.9
237.09129	37.3
238.06281	4.3
239.07097	8.8
247.07629	2.4
247.13332	30.5
249.05539	4.0
249.09145	2.6
250.06401	4.5
251.07060	3.8
251.10680	3.0
252.07863	6.5
253.08661	14.6
255.06589	1.7
262.81363	1.5
263.07043	40.7
264.07724	8.3
265.08621	90.5
265.14383	9.3
266.05991	2.1
266.08951	2.5
267.06570	21.5
267.09671	2.8
277.08273	1.6
279.06696	3.1
279.10187	6.9
280.07529	7.2
280.10953	97.1
281.08102	60.4
281.11002	2.9
282.08881	34.9
289.14499	1.7
293.08139	2.3
295.09662	64.4
296.10446	63.8
297.11002	5.0
299.12820	2.2
307.15408	22.4
311.09439	4.0
311.12781	100.0
312.13110	4.2
324.12311	2.4
325.10687	11.8
325.14026	2.5
342.06116	5.8
342.09744	2.4
342.13339	16.9
342.17065	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05499	2.6
57.03440	4.8
69.03441	6.1
69.07055	2.1
70.06618	1.8
70.24268	2.5
71.05000	3.1
71.08638	5.0
72.08159	1.8
79.05504	3.5
81.07063	14.3
85.02919	13.4
85.06535	2.2
86.09711	14.3
88.04028	2.4
91.05492	5.1
91.46629	1.5
92.46135	1.5
95.04986	3.2
97.02911	5.6
99.04474	2.4
99.08098	22.7
101.06113	1.6
103.77089	1.7
109.06538	21.0
111.04436	2.6
117.09140	100.0
119.04970	3.3
120.08094	4.4
123.04447	3.2
127.03938	3.4
127.07570	46.5
128.10756	8.8
138.05525	1.9
138.09158	1.9
151.03941	1.7
151.07571	15.3
162.05635	2.1
162.09259	2.1
163.09676	26.2
169.04976	1.9
180.06602	3.8
180.10278	2.7
181.05061	3.2
183.45285	1.7
203.97231	1.7
207.07932	7.0
208.08063	7.1
235.07486	4.2
293.08154	6.1
324.12393	7.7
342.09726	3.5
342.13525	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	342.1701
Annotation	Norsecocularine
Peak:m/z	Relative Intensity
69.89732	3.8
78.52731	0.7
165.06915	1.1
179.08545	0.9
181.06494	1.0
191.08536	1.3
197.09373	0.9
205.06534	1.4
207.08069	3.4
208.08911	1.8
209.09613	1.0
219.08081	1.7
221.06024	1.7
222.06877	1.3
223.07501	1.1
223.09525	0.9
225.09152	4.9
233.06024	2.5
235.07559	2.6
236.08315	3.9
237.09114	26.6
238.06299	1.4
239.07080	1.6
247.07620	1.6
248.08382	1.3
249.05507	2.2
249.09093	1.9
251.07033	1.1
251.10760	2.5
252.07895	1.6
253.08603	13.3
263.07111	2.6
264.07834	3.1
265.08612	54.9
266.05969	1.0
267.06519	3.1
267.10223	2.3
268.10922	1.2
279.10178	5.1
280.10947	89.9
281.08109	45.9
281.11148	3.3
282.08630	3.0
293.08047	1.1
295.09592	1.3
296.10446	56.8
297.10727	1.8
301.98727	0.8
311.12784	100.0
312.13208	3.2
323.58276	0.8
325.10721	5.3
342.13028	2.1
342.17035	30.8
343.17502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1699
Annotation	pavine
Peak:m/z	Relative Intensity
54.68332	0.6
56.05027	1.7
58.06603	27.5
58.97770	0.6
63.57565	0.7
70.85222	1.5
74.89893	0.6
78.46839	0.7
122.07429	0.6
135.07318	0.6
145.08830	0.9
151.03897	2.3
151.07567	3.3
162.09132	6.6
163.06300	3.5
172.45374	0.7
174.09180	1.4
176.07095	0.8
177.07912	1.4
178.08644	31.8
179.08755	0.6
181.06499	2.0
182.07303	1.0
183.08023	1.0
190.08670	6.3
191.09427	14.5
192.10017	0.9
193.06447	0.9
193.42482	0.8
195.08043	1.9
197.05978	1.9
199.07602	1.0
205.06386	1.0
206.07179	0.7
207.08058	0.7
209.06012	2.0
209.09502	1.0
210.06602	1.3
211.07582	3.7
213.09105	1.4
214.09804	1.3
221.05991	1.2
224.08308	1.2
225.05481	1.5
225.09070	4.4
226.06358	0.9
226.09979	5.0
227.06985	1.8
227.10628	1.2
235.07486	2.1
236.08278	0.9
237.09047	2.6
238.06409	0.7
239.07051	1.2
239.10727	1.5
240.11385	1.4
241.08644	2.6
242.05775	1.3
242.09370	2.6
247.07559	1.3
248.08310	2.8
249.05421	1.1
249.09167	0.8
251.10690	1.0
253.08623	3.9
254.09328	2.5
257.11768	4.7
264.07828	2.0
265.08615	5.1
265.11191	0.9
267.10156	1.6
268.10724	0.8
269.08078	2.6
270.08768	1.8
271.13089	0.7
279.10162	5.5
280.10965	9.7
281.05179	0.7
281.08057	2.9
281.11154	1.0
282.07736	1.3
284.10553	3.0
285.11264	7.3
296.10501	6.0
298.10660	1.5
299.12817	4.0
311.12735	5.7
313.06973	8.5
325.06711	0.6
326.10236	1.8
327.11017	2.2
342.09753	4.7
342.13293	13.3
342.16989	100.0
343.17374	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49464	0.5
54.35135	0.5
58.06597	1.0
64.18107	0.6
64.41318	0.6
70.48725	1.6
70.49086	0.7
74.69641	0.5
77.60300	0.6
91.05482	0.7
93.49174	0.5
112.67877	0.7
150.88766	0.6
157.10149	1.1
165.07021	2.7
167.06886	0.8
177.06998	5.9
178.08797	0.8
179.08569	2.2
181.06531	1.3
183.11705	4.0
187.11234	0.9
189.06978	1.3
191.08548	1.4
192.10127	1.0
193.06552	0.9
194.07266	4.0
198.05508	0.6
201.12695	1.2
205.06496	23.1
206.07164	1.8
207.08089	2.9
209.05925	0.8
209.09666	1.2
210.06737	0.9
217.06654	0.7
219.08084	1.6
221.05998	1.6
222.06747	10.9
223.07515	2.2
224.08328	1.2
225.09125	1.4
229.12265	2.9
233.05991	17.5
234.06754	1.9
235.07573	9.3
236.08371	1.9
237.09117	32.1
238.06276	2.2
238.09349	0.6
239.07047	10.3
247.07578	1.2
247.13379	2.7
249.05556	1.0
249.09067	0.7
250.06123	3.5
251.07037	2.7
251.10664	0.7
252.07904	3.0
253.08635	3.6
255.06520	0.9
263.07028	10.0
264.07785	6.3
265.08609	69.0
266.05685	3.0
266.08951	1.7
267.06531	19.3
267.09543	1.2
268.07065	1.1
279.06628	1.1
279.10068	1.3
280.07407	4.1
280.10910	24.3
281.08096	27.6
281.11172	0.9
282.08884	53.2
283.05917	1.6
283.09421	1.7
295.09650	100.0
296.10373	18.4
297.11169	0.9
307.15414	1.9
311.09198	3.7
311.12723	28.1
324.12320	2.1
325.10492	5.9
342.05997	2.0
342.09464	1.3
342.13309	14.1
342.17087	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	342.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	3.7
62.32314	1.4
64.56753	1.2
70.39314	6.2
89.64498	1.4
98.20812	1.9
139.05527	1.5
158.81180	1.4
165.06987	2.3
172.06793	1.4
176.06186	1.7
177.05566	3.2
177.07062	10.1
179.08638	3.3
181.06551	2.6
191.08640	1.6
192.10201	3.0
194.07333	3.8
205.06511	36.1
205.08360	2.5
206.07117	2.0
207.08131	5.5
209.05798	1.7
209.09607	3.0
210.06729	3.0
211.07533	2.0
219.08072	2.3
221.06035	3.6
222.06749	8.7
223.07538	3.6
224.08365	1.9
225.09164	4.1
233.05988	23.0
235.07567	41.5
235.09773	3.1
236.08405	4.2
237.09132	44.5
238.06250	4.4
239.07043	15.2
247.07698	1.7
248.08261	2.2
249.05455	3.7
249.09091	1.9
250.06290	3.0
251.07146	7.2
252.07884	6.3
253.08698	11.2
263.07092	46.8
264.07828	14.3
264.65683	1.5
265.08618	94.3
266.05817	4.5
267.06543	29.6
267.09610	2.8
279.06955	2.3
279.10208	6.6
280.07492	10.5
280.10950	80.4
281.08118	56.6
281.10886	2.5
282.08902	61.0
283.09540	2.0
284.10455	1.6
293.08057	2.6
295.06461	3.7
295.09680	100.0
296.10455	45.9
296.13870	1.4
297.10974	1.5
309.10025	3.5
310.08414	2.7
311.09375	6.5
311.12796	82.7
315.34079	1.8
324.12390	4.6
325.10739	13.7
341.94284	1.4
342.13361	26.3
342.17090	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	342.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	2.8
70.06583	0.9
71.42161	1.0
72.37878	0.8
105.29072	0.8
113.16158	0.7
138.69981	0.8
151.07500	0.9
178.08873	5.8
179.08549	3.1
181.06456	1.7
190.08620	1.9
191.09406	1.2
192.05673	1.1
192.10223	4.1
193.06422	1.7
194.07297	1.1
205.06532	2.0
206.07297	5.4
207.08060	6.9
208.08839	1.8
209.05992	2.7
209.09570	0.9
219.08122	1.8
220.05183	1.9
220.08829	1.0
221.05937	1.2
222.06790	9.5
223.07527	2.1
224.08336	2.6
225.09100	1.2
234.06697	3.5
235.07556	15.0
236.08333	4.9
237.05424	1.9
237.09138	1.6
239.10747	0.9
249.05453	1.0
250.06270	17.6
251.06961	2.1
251.10722	1.4
252.07846	9.2
253.08577	1.0
263.07077	7.0
264.07809	22.0
264.10632	1.2
265.08603	61.4
266.08990	1.7
267.06638	1.8
267.10117	9.5
277.08496	1.1
279.06693	1.5
279.10089	1.8
280.07272	2.2
280.10959	2.9
281.08121	1.7
292.07272	7.2
293.08102	9.4
294.08841	5.1
295.09607	15.3
296.10297	1.5
301.96649	0.8
309.07275	1.3
310.08392	14.2
311.12729	2.2
324.12210	2.7
325.10706	100.0
326.10950	3.2
342.13223	6.7
342.16995	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	342.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93419	0.2
51.12103	0.3
55.01861	0.3
56.96562	0.9
57.03432	0.5
61.02915	0.5
69.03421	1.1
69.07055	0.6
70.06596	0.7
71.06282	0.6
72.08105	0.3
73.02910	0.3
79.05523	0.3
81.03429	0.5
85.02902	2.3
91.04961	0.5
91.05478	5.6
97.02905	1.1
98.97579	1.9
109.02844	0.5
109.06512	0.5
116.98631	0.7
119.04967	4.0
127.03899	0.6
128.98605	0.5
135.04387	1.8
135.09196	0.3
137.05986	27.4
138.06346	0.5
139.03914	0.7
140.07085	0.6
145.04999	0.5
146.99678	0.3
147.04434	0.3
151.03917	1.1
151.07552	0.8
152.07036	0.4
158.99646	0.4
161.44460	0.3
162.05501	3.4
162.09105	0.3
163.03967	0.8
167.07039	0.6
170.99638	0.3
176.07063	0.3
177.00768	0.5
177.05542	0.3
177.07893	0.5
178.08643	0.5
180.06569	100.0
181.06883	1.1
181.08743	0.3
192.10234	1.6
201.00656	0.4
209.42046	0.3
219.01773	0.6
237.02811	0.4
249.16554	0.3
305.09235	0.5
317.61008	0.4
324.10724	0.5
324.14410	4.9
342.11658	2.2
342.15494	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	342.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	2.6
67.66491	0.7
70.06598	1.0
71.31367	0.8
83.30808	0.6
88.74918	0.7
105.15023	0.7
110.07895	0.7
125.86878	0.7
153.06934	1.3
165.06992	0.9
166.07906	0.7
177.07939	1.3
178.08607	2.7
179.08559	3.0
181.06517	1.7
183.08090	1.1
190.08728	1.3
191.09540	0.8
192.05714	0.7
192.10239	8.9
193.06468	1.1
194.07309	1.7
195.08073	1.3
205.06519	2.6
206.07326	2.5
207.08006	5.1
208.08829	0.9
209.06003	1.8
211.07617	1.0
220.05215	2.0
220.08807	0.8
221.05925	1.8
222.06757	3.5
223.07523	2.0
224.08357	2.0
231.86331	0.7
233.06010	2.2
234.06761	2.8
235.07536	7.9
236.08345	1.9
237.05553	4.9
237.09138	2.0
238.06238	0.7
238.09915	1.1
239.07184	1.5
239.10574	0.8
249.05424	2.5
250.06384	4.0
251.07021	4.1
252.07834	3.7
253.08600	1.3
261.05508	0.9
262.06290	1.4
263.07047	6.2
264.07898	5.4
265.05038	6.9
265.08615	15.6
266.09027	0.7
267.06647	3.1
267.10175	1.7
277.04932	0.7
277.08664	1.2
278.05814	1.9
279.06561	6.6
279.09799	1.1
280.07339	6.7
280.10779	1.5
281.08029	1.9
282.08765	1.5
292.07285	1.1
293.08054	21.1
294.08890	20.9
294.11523	0.4
295.06021	3.9
295.09653	6.9
299.09219	0.9
310.08383	21.2
311.08850	0.9
311.12781	1.8
325.10724	100.0
326.11020	2.3
342.13318	8.8
342.17065	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	341.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	44.6
57.07080	49.4
59.62445	2.5
67.05509	22.6
69.07072	100.0
69.42866	13.4
69.43275	4.0
71.04974	2.5
71.08635	37.4
73.06583	2.3
79.05502	10.9
79.31986	2.2
81.07063	54.5
83.05002	4.4
83.08624	66.9
85.06545	6.8
85.10185	19.7
91.05491	11.5
93.07047	20.2
95.08617	50.7
97.05983	1.9
97.06520	11.1
97.10180	54.0
98.20802	5.6
98.21459	3.9
105.07046	17.3
107.07903	3.1
107.08584	18.1
109.06539	4.1
109.10167	29.6
111.08100	8.0
111.11724	23.0
113.13247	3.5
115.07566	7.4
117.07004	3.5
119.08611	19.2
121.10170	18.7
123.08086	5.2
123.11694	17.5
125.09618	7.9
125.13288	14.7
127.07529	6.0
129.09152	5.1
131.08603	3.8
133.10152	16.0
135.11638	13.9
137.05949	3.5
137.09663	4.1
137.13252	5.7
139.14825	4.4
143.08501	2.7
143.10704	4.0
143.33467	2.5
147.11696	15.5
149.13245	9.6
151.11194	6.7
151.14830	3.4
153.12749	2.8
155.10704	4.8
157.10110	5.2
157.12265	3.2
159.11694	4.9
159.77974	2.4
161.13234	17.6
163.14813	3.2
165.12781	11.3
165.16380	2.5
167.08597	2.6
169.12219	3.0
175.14879	4.7
177.16425	3.6
179.14331	14.1
183.13753	2.6
185.15425	2.4
189.16438	2.4
193.15959	5.7
195.17409	4.0
197.15347	2.5
201.09007	2.7
203.18077	2.9
207.17445	3.4
221.18852	2.4
223.20525	2.4
231.21295	2.5
263.27368	6.2
264.41663	3.0
287.27267	8.3
300.65738	2.2
305.28409	9.2
341.24545	3.5
342.57858	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	341.3206
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03942	1.9
55.05517	18.4
57.03428	2.1
57.07087	14.2
67.05513	23.8
69.06728	3.2
69.07074	44.2
70.60664	3.3
70.60996	1.8
71.08623	7.2
79.05497	16.2
81.07063	100.0
83.08627	16.6
85.10184	3.6
91.05475	10.9
93.07049	32.4
95.08612	75.8
97.10155	8.5
105.07040	30.9
107.08609	37.9
109.09458	2.5
109.10168	38.2
111.11709	3.7
117.06956	2.0
119.08588	28.5
121.10155	32.5
123.11722	22.8
125.13244	1.6
131.08542	5.9
133.10152	17.2
135.10794	2.1
135.11708	16.9
137.13278	13.2
140.79933	1.5
145.10141	8.7
147.11682	15.9
149.13289	22.8
151.14902	1.9
159.11697	10.7
161.13284	20.0
163.14832	12.9
171.11757	1.8
173.13266	7.0
175.14859	8.0
177.16429	8.3
187.14774	3.9
189.16414	14.8
190.10023	1.6
191.17934	5.6
201.16429	3.8
203.17949	12.0
205.19518	4.3
215.17902	5.6
217.19473	16.9
219.21169	2.2
229.19510	3.9
231.21136	8.0
245.22688	4.8
257.22754	2.9
271.24146	1.6
285.25797	4.1
341.20944	4.2
341.32141	58.9
342.32202	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
59.88103	1.0
67.05505	1.6
69.03417	1.2
69.07066	1.5
70.69800	2.0
70.70151	2.0
76.27401	0.9
79.05498	2.9
80.44703	1.0
81.07049	4.5
83.04967	1.5
91.05467	5.7
93.07071	2.3
94.04185	3.9
95.04967	1.5
95.08608	2.0
103.05443	1.3
103.90107	0.9
105.06998	8.2
107.04979	2.5
107.08626	1.3
107.29823	1.0
109.06516	2.4
109.10159	1.3
115.05462	3.7
117.07006	2.9
119.04977	1.0
119.08585	5.0
121.06478	2.0
121.10217	1.8
122.03666	10.7
123.04443	1.7
128.06221	2.0
129.07004	3.2
129.42621	0.9
131.04889	1.1
131.08572	1.6
132.05719	4.0
133.06494	4.8
135.04425	1.7
137.05988	100.0
139.03885	1.3
142.33897	1.0
145.06534	2.0
145.10187	1.9
147.04414	3.0
147.08064	5.2
149.05989	1.9
151.07401	1.4
157.06543	1.9
159.08109	2.0
160.05215	3.6
161.05991	10.5
165.07028	2.1
167.07089	1.8
171.08113	1.7
173.46019	1.1
175.07562	39.2
177.09099	1.6
179.07036	1.0
184.05269	1.0
185.05928	1.9
187.07552	8.7
189.05556	2.1
189.07069	1.4
189.09091	1.7
190.07770	4.3
191.07051	2.1
191.08562	6.8
192.09372	1.4
199.07544	7.9
202.07808	4.5
203.08595	7.3
205.06569	1.9
207.07793	1.8
208.08565	2.3
218.07277	3.1
219.08102	11.5
220.08803	2.1
221.09663	1.2
231.08087	6.6
232.08826	1.6
233.09587	1.4
235.07590	1.7
236.07924	4.9
237.09036	1.5
239.99426	1.0
247.07607	3.8
248.08296	3.6
249.09206	2.1
251.10699	12.1
252.11154	2.0
259.07611	3.5
260.08389	1.2
263.10620	2.8
265.08514	2.7
266.09055	2.8
267.06461	1.7
267.10468	1.3
277.08575	3.0
279.10159	9.1
280.10684	3.4
281.08133	1.4
281.11417	1.5
282.08676	1.0
291.10266	8.0
292.10861	3.6
293.07953	1.8
294.08463	4.0
295.09592	2.7
298.20053	1.1
309.11151	2.9
310.11600	1.8
311.12839	10.8
323.12778	4.0
324.09512	12.2
328.78961	1.2
341.06628	1.9
341.13788	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	341.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.7
56.41204	2.4
57.03421	7.4
57.07079	23.8
58.37888	2.4
60.79772	2.4
61.65646	2.8
63.23399	2.8
65.03912	3.3
67.05501	32.0
69.03421	3.2
69.07067	28.4
69.35506	19.8
69.35916	5.1
71.04984	20.4
71.08622	15.6
79.05496	23.3
81.07059	100.0
83.08628	17.4
85.06538	10.9
85.10169	8.3
87.30240	2.7
88.54088	2.6
88.65689	2.5
89.15598	2.4
91.05479	24.8
93.06471	4.5
93.07046	79.0
93.46957	2.4
95.04958	7.0
95.08606	86.1
97.06544	3.3
97.10152	12.7
99.08067	5.5
103.14819	2.5
105.07035	56.1
107.08593	66.2
109.06522	23.1
109.10159	41.0
111.08076	19.1
111.11708	4.0
113.09573	3.2
115.05428	3.3
117.07011	8.3
119.08586	99.3
121.10148	53.7
123.08100	3.1
123.11717	33.6
129.06970	3.2
131.08566	21.7
133.10117	33.2
135.11700	27.9
137.09584	5.5
137.13208	4.5
142.07738	4.2
143.08536	8.2
144.09303	3.1
145.10123	34.6
147.11697	27.0
149.09645	4.1
149.13274	36.5
151.11137	2.9
157.10167	17.6
158.10966	2.7
159.11694	55.0
161.13278	27.7
163.14830	28.8
165.12737	3.4
169.10040	3.4
171.11694	13.5
173.13261	40.8
175.14847	13.5
177.12769	4.8
177.16383	5.6
183.11754	5.7
185.13234	12.1
187.14778	30.2
189.16412	14.2
191.17950	21.3
197.13176	4.3
199.14848	13.6
201.16417	16.3
203.17926	5.4
211.14818	3.7
213.16353	22.2
215.17989	13.6
217.19411	5.6
225.16327	8.6
227.17938	19.0
229.19446	10.0
239.17830	4.5
241.19487	6.3
243.21005	3.5
249.52632	2.8
253.19398	7.8
257.22687	13.2
267.21033	10.5
271.24207	3.8
281.22577	3.2
283.24234	57.6
297.25739	4.3
323.23618	5.4
323.27298	64.9
324.27664	3.6
341.21375	4.6
341.27988	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.57617	1.4
55.01870	4.2
55.05499	4.5
67.05489	4.0
68.12645	1.5
69.07056	4.4
69.54190	8.2
71.05000	7.3
79.05495	5.1
79.06299	1.6
81.07075	12.2
83.08573	2.1
85.06555	3.1
91.05482	9.5
93.07070	7.9
94.04172	4.5
95.04951	3.5
95.08610	9.6
97.10164	2.3
100.11259	3.9
103.05463	4.1
105.03423	1.8
105.07005	8.1
107.04969	2.8
107.08617	7.4
109.06503	3.8
109.10164	5.3
111.04457	2.4
111.08109	2.0
115.05444	1.7
119.04956	3.6
119.08583	5.6
121.10130	5.7
122.03636	10.8
123.04464	2.8
123.11681	2.6
125.05948	3.8
128.06248	1.8
129.07014	10.2
131.04950	4.3
131.08559	3.1
133.02844	6.9
133.06514	2.9
133.10118	3.4
135.04390	1.9
135.07983	1.5
135.11703	3.0
137.05983	100.0
137.09624	2.4
143.04970	2.9
143.08632	2.5
144.05679	3.8
145.06468	3.4
145.10077	2.3
147.04437	2.9
147.08018	2.0
147.11696	2.0
149.05957	4.8
149.13254	3.7
151.03893	3.4
151.07541	7.5
153.05493	2.6
157.06520	5.1
157.10121	3.2
158.07185	1.8
159.07985	1.5
159.11700	1.8
160.05183	4.7
161.04733	1.4
161.05986	6.2
161.09758	3.2
163.07547	5.5
163.14789	1.5
165.05487	5.4
167.07043	5.6
168.05609	2.6
171.07996	2.4
172.05186	5.0
174.06787	7.4
175.07541	18.6
177.05510	10.1
177.09079	3.4
178.07562	2.6
179.07091	4.3
181.06567	1.6
182.15372	2.6
185.05945	1.8
187.07550	36.2
189.05453	2.5
189.09123	12.6
190.07823	1.8
191.06953	2.7
191.08548	4.0
196.05206	4.8
197.05968	3.8
199.07503	4.2
202.07764	4.9
203.08553	13.2
203.10507	3.2
205.06450	6.3
205.08455	2.0
206.06950	5.6
207.07841	3.2
208.08649	2.9
210.14873	4.2
211.07521	19.6
212.04724	5.7
213.05507	4.3
217.08559	17.0
218.07239	3.8
219.08128	11.2
220.08823	9.1
221.05992	2.6
221.09535	3.0
224.08115	1.8
225.05531	2.5
225.09120	3.0
227.07056	47.8
228.07773	2.6
231.08041	12.9
232.08781	3.3
233.05916	5.7
233.09506	2.0
234.06548	3.8
235.07532	4.4
236.08031	8.5
237.09135	3.6
239.07018	14.3
240.07855	16.3
241.04950	2.9
241.08463	2.4
247.07518	6.4
248.08327	26.5
249.09053	6.4
251.06902	3.7
251.10620	4.9
252.11215	1.9
253.08583	5.3
253.12137	2.1
255.06519	23.9
256.07373	9.4
259.07529	7.0
260.08292	3.6
261.09146	2.9
262.06250	2.0
262.10019	1.7
263.07098	4.2
263.10699	19.7
264.07565	11.6
265.08682	10.2
266.08987	2.8
267.06458	2.1
268.07385	4.7
269.07990	3.2
270.08890	75.3
271.09662	44.7
276.07892	11.9
277.08542	7.1
279.06708	2.1
279.10123	12.6
280.07205	3.5
280.10724	4.8
281.07730	12.4
281.11722	4.4
282.08676	3.9
283.09729	12.0
285.11298	2.3
291.10165	56.6
292.10907	5.6
293.08096	9.3
293.11212	1.7
294.08484	16.1
295.09488	2.5
296.10400	6.0
297.07941	1.8
297.11359	4.8
305.24628	3.7
308.10419	9.6
309.11133	5.7
310.07935	4.8
310.11548	3.6
311.12799	11.0
313.10745	2.3
313.14182	3.7
323.12814	42.5
323.19791	2.2
324.09491	4.6
324.12946	2.0
341.10342	5.5
341.13998	38.4
341.20752	2.0
341.24744	3.3
342.13943	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1023
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
52.78449	0.4
65.28873	0.4
67.05505	0.5
68.99780	0.7
69.03419	0.5
71.56238	0.6
81.03438	0.4
84.08134	0.6
84.13146	0.4
86.09727	0.4
91.05461	0.3
93.07059	0.6
95.05017	0.5
98.08630	0.4
107.04923	0.5
124.34919	0.4
128.06255	0.5
141.07002	0.5
152.06181	1.0
153.03725	0.4
153.06985	1.8
154.07837	0.4
154.11328	0.3
155.08542	0.6
160.07616	0.4
165.06990	3.3
166.07838	0.8
167.07309	0.5
167.08524	2.6
168.05795	0.4
169.06584	2.2
175.19661	0.4
176.06232	0.7
177.07010	2.8
178.07814	1.2
179.08511	1.7
181.06468	3.0
182.07315	1.3
183.08070	1.5
189.07095	1.2
192.05737	1.1
193.06511	1.6
194.07292	2.1
195.08078	7.5
196.08582	0.6
197.05994	3.5
197.09602	0.7
199.07498	0.7
204.05841	0.7
205.06487	7.6
206.07217	1.2
207.08029	2.2
208.05164	0.8
209.06009	2.8
210.06802	2.8
211.07561	2.7
212.08324	1.3
213.05551	0.7
217.08496	0.5
220.05270	0.9
221.05966	6.3
222.06824	2.4
223.04018	0.5
223.07564	6.5
224.08344	0.9
225.05518	3.5
225.09077	1.9
226.06255	0.4
227.07179	0.9
233.06039	4.1
234.06740	0.9
235.07539	2.7
236.04706	1.3
237.05478	8.2
238.06252	4.1
239.07030	5.6
240.07829	2.7
240.09824	0.4
245.05934	0.4
248.04636	0.7
249.05481	4.2
250.06349	3.7
251.07066	20.0
252.07755	2.2
253.04977	4.9
253.08595	2.0
254.09441	0.5
255.06566	1.1
255.10115	0.6
256.07367	0.5
261.05487	1.0
262.06165	0.5
263.03586	0.4
263.04233	0.5
263.07010	3.2
264.07785	0.7
265.04929	4.9
266.05765	10.4
267.06613	6.5
268.07339	5.2
277.04980	2.4
278.05765	2.3
278.46451	0.4
279.06512	9.0
280.07318	4.5
281.04514	2.3
281.08109	7.0
282.08713	0.7
283.06067	2.5
283.09344	0.8
291.06476	1.4
293.04468	3.3
293.08081	3.5
294.05258	13.2
295.06055	18.6
296.03522	0.9
296.06799	12.9
297.07593	0.6
307.06052	0.9
308.06796	2.1
309.07648	7.6
310.04773	0.9
310.08380	16.9
311.05481	3.7
311.09128	9.1
325.07050	1.0
326.07901	3.4
341.10214	100.0
342.10562	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	340.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55449	0.5
53.03947	1.8
55.01858	0.5
56.15251	0.5
56.96566	0.8
57.03440	4.6
59.05005	1.0
61.02921	1.7
62.02454	4.0
69.03434	10.7
69.63787	1.1
69.64207	2.7
71.01353	0.7
71.04984	3.5
73.02908	1.9
81.03429	3.0
84.08128	0.9
85.86451	0.5
87.04465	0.6
97.02888	1.2
98.97585	2.1
99.04466	6.8
110.07177	0.7
116.98682	0.7
117.05506	3.1
120.08111	0.8
133.07617	11.2
135.09174	3.4
137.05980	0.8
139.03914	1.3
145.07611	19.4
146.08389	1.8
147.09187	3.7
152.54114	0.5
159.09193	3.9
160.06129	0.7
160.07564	0.7
161.07047	0.8
163.08682	50.8
175.08693	1.5
177.10208	1.0
178.05016	11.7
178.07240	0.8
178.08589	5.3
187.08698	0.6
188.09453	0.7
190.03175	0.6
197.10757	1.0
205.09807	3.3
215.11749	1.5
219.01782	0.7
219.11284	0.7
233.12877	1.1
234.07547	0.9
237.02744	0.9
261.12357	4.1
279.13412	2.2
297.14392	2.8
305.11566	0.6
310.13895	0.8
322.13998	47.9
339.26608	0.5
340.15057	100.0
341.15210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1545
Annotation	(+)-Sinactine
Peak:m/z	Relative Intensity
53.54752	0.5
55.05499	1.1
56.05044	0.6
58.02762	0.6
64.01067	0.5
68.05038	0.9
69.07063	1.2
70.91489	1.3
79.05505	1.2
81.07053	1.2
91.05496	1.6
93.07045	0.7
97.10157	1.7
98.10487	1.3
99.47503	0.5
103.05445	1.2
105.07014	0.8
107.04962	47.0
115.05456	5.7
117.07014	1.5
119.05006	0.8
119.08559	0.6
121.02856	0.8
121.06511	4.0
125.09587	0.6
131.04939	1.3
133.06558	1.2
137.05972	5.3
143.04939	5.8
145.06494	4.8
147.04399	1.2
147.08049	0.8
149.05992	0.6
150.06856	0.7
151.07516	2.6
154.06612	0.8
155.06079	1.0
160.05251	0.6
161.06018	0.8
162.05515	1.0
162.06760	1.4
163.06326	4.7
163.07492	0.9
165.07013	0.9
166.07797	1.1
168.08031	3.4
169.06561	0.7
169.08882	10.1
172.07622	3.9
175.07562	2.4
176.07147	2.7
177.05431	1.3
177.07993	3.7
178.06010	1.1
178.08659	15.8
179.08620	0.9
181.06487	1.2
185.08405	1.8
186.09149	2.9
189.07547	0.6
191.08617	1.4
194.07281	2.0
195.08055	1.0
196.07603	0.7
197.08371	42.5
200.07143	3.9
201.07727	0.7
204.10280	3.4
205.06529	4.6
207.08076	1.5
209.05959	0.7
209.09648	3.4
214.08643	7.7
215.09425	45.8
216.10216	3.8
218.08148	0.6
219.08061	1.7
222.06743	1.5
223.07605	2.4
232.09709	5.5
233.05988	3.0
233.10529	10.5
235.07541	6.1
236.08305	0.7
237.09145	3.5
239.07016	1.3
239.10687	0.6
248.07890	0.5
251.07037	2.4
251.10646	1.0
254.09509	0.8
263.07053	8.7
265.08566	1.9
269.11713	5.2
271.13135	0.7
276.07480	0.6
278.09146	0.6
279.06546	2.8
279.10168	2.0
280.07303	8.3
280.10138	1.1
281.07971	0.9
285.11356	1.5
293.08109	11.9
294.08600	1.1
295.09482	0.8
296.12823	3.7
308.10062	1.2
309.07578	2.8
309.11249	3.0
310.10965	1.3
312.13205	1.1
322.10928	0.8
322.14478	1.2
322.24658	0.7
323.09048	2.8
340.12161	5.6
340.15475	100.0
341.15683	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42236	0.7
61.72078	0.7
66.30708	0.6
71.30177	1.4
72.04518	2.9
81.07056	0.9
93.07044	1.1
105.07053	1.1
109.10168	0.9
116.69533	0.7
117.03459	0.7
137.05959	2.2
145.02837	1.2
149.02402	0.9
165.07016	1.5
169.06384	0.7
175.07564	0.8
176.06157	0.8
177.05505	1.9
177.06976	9.7
178.05878	1.5
178.08809	0.8
179.08615	2.3
189.07033	2.1
191.08562	2.5
193.06477	1.6
194.07317	6.2
205.06503	34.7
206.07155	2.7
207.08112	4.4
217.06531	2.0
219.08002	2.3
221.06105	1.1
222.06816	15.9
222.09192	2.9
223.07504	2.8
232.07401	1.0
233.05983	28.5
234.06636	2.4
235.07550	11.1
236.08340	1.4
237.09106	40.7
238.09419	0.8
239.09431	1.9
245.06027	1.0
247.07640	1.7
250.06224	5.5
250.08705	2.7
251.06946	2.8
251.09386	1.5
252.07764	3.3
253.04929	1.1
253.08630	4.2
263.07037	11.1
264.07822	6.3
264.10269	1.7
265.08612	85.8
266.08948	2.5
267.08951	1.4
271.72049	0.8
277.07565	0.9
279.06595	3.4
279.10202	1.1
280.07349	11.9
280.10193	0.9
281.08112	1.8
282.11252	5.9
287.16873	0.7
292.09692	6.1
293.08047	8.6
295.09665	100.0
296.09998	3.4
309.07617	4.0
309.10864	1.0
310.10712	5.2
323.09158	3.1
340.08023	1.8
340.12067	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	340.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26552	0.7
56.89567	0.7
68.99786	2.9
71.55753	0.8
86.03226	0.7
94.22383	0.7
101.99435	0.7
142.06488	1.4
151.47151	0.7
154.06436	0.8
170.06087	1.8
178.08768	0.8
186.05515	0.9
198.05533	24.8
199.06258	1.8
200.03441	12.4
210.05487	5.3
212.03545	1.4
212.07051	1.1
214.05070	4.1
222.05426	1.9
224.03503	2.3
224.06963	1.3
226.05028	13.6
227.05644	1.2
228.02928	14.0
229.03680	1.4
238.05014	3.8
240.06538	2.6
242.04518	9.4
244.06122	1.1
250.05022	2.7
252.02992	1.5
254.04637	3.9
256.06119	1.5
266.04507	17.8
268.06073	8.9
270.04047	1.9
278.04913	1.0
279.05295	1.9
280.27689	0.8
294.04031	8.9
296.05618	2.3
312.05057	40.6
322.03458	1.2
340.04550	100.0
340.11658	2.4
341.04868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67323	0.6
70.61747	2.1
80.61513	0.8
165.06985	2.9
176.06229	1.0
177.06998	6.3
178.07747	1.2
179.08615	2.7
189.07034	2.0
193.06473	0.9
194.07297	2.2
205.04565	1.4
205.06499	29.8
207.08098	3.6
221.06009	1.4
222.06758	3.0
223.07565	1.6
233.05984	18.8
235.07550	40.7
237.05452	1.6
238.06570	0.9
245.05847	1.0
247.07585	1.0
249.05457	1.2
250.06349	1.1
251.07068	3.7
261.05557	0.9
263.07050	68.6
264.07452	2.0
264.10315	1.1
265.08618	2.5
279.06558	19.6
279.09778	0.8
280.07315	73.9
281.07700	3.0
293.08087	100.0
294.08426	2.8
308.06863	0.9
309.07535	2.5
309.11130	2.0
322.10754	2.0
323.08942	4.2
340.11868	14.6
340.15414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.33887	0.8
53.03938	2.4
55.01857	0.7
55.05513	35.0
57.03440	17.3
57.06788	0.7
57.07078	15.7
67.05505	27.1
69.03391	0.6
69.07069	48.4
70.41083	2.1
70.41416	0.6
71.04988	2.1
71.08636	8.4
74.22792	0.7
79.05500	12.6
81.07059	31.8
83.04982	1.2
83.08620	29.5
83.09116	1.5
85.06532	2.9
85.10179	4.1
91.05463	4.9
93.07050	16.9
95.04969	1.7
95.08609	32.1
97.06525	4.9
97.10170	18.6
97.75459	0.6
99.08098	1.3
105.07043	3.9
107.08595	10.6
109.10158	14.1
111.08078	3.5
111.11731	4.5
117.07059	1.5
119.08553	3.6
121.10145	16.0
123.11713	4.4
125.09649	2.7
128.06149	1.0
129.07062	0.8
131.08565	2.1
133.10104	2.2
135.11699	13.1
137.13297	1.6
139.11209	1.6
143.08560	1.1
145.10132	2.8
147.11700	1.4
149.13263	5.7
151.14833	1.3
153.12752	1.2
155.08484	0.7
157.10112	1.9
159.11696	3.6
161.13217	1.7
163.07468	1.5
163.14810	2.9
171.11656	0.7
173.13309	1.2
175.14723	0.8
177.16438	2.1
179.17921	0.8
181.10208	1.0
183.11678	0.8
185.13322	1.0
191.18053	1.0
195.11690	1.4
199.14864	1.1
205.19617	0.7
209.19051	0.8
223.14761	0.7
236.33311	0.7
247.24188	2.6
265.25308	3.9
293.19275	0.9
339.28976	100.0
340.29404	2.0
360.67044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56509	0.9
68.99806	2.8
70.06567	0.9
71.54935	1.2
80.92179	0.8
84.08153	1.2
85.02896	1.1
97.02902	0.8
107.04942	1.4
131.04953	1.4
139.03929	1.7
145.10239	1.0
154.06535	3.7
158.06033	1.6
160.07597	1.7
166.06554	1.0
168.04449	2.3
170.05991	1.9
173.04756	1.0
177.05490	1.0
178.08611	2.2
179.03426	2.2
182.06000	1.4
186.05496	1.3
188.03424	4.8
192.04500	1.2
194.06044	3.3
196.03912	3.6
197.04674	2.0
198.05547	5.2
210.05515	12.1
212.03505	1.4
212.07126	2.5
213.04283	0.9
214.05000	14.8
219.07997	1.0
220.03850	1.2
220.08388	1.2
222.05544	8.0
224.03310	10.1
225.04214	1.8
226.05037	11.8
228.02931	1.8
230.04649	0.9
236.03444	1.7
238.04982	10.8
240.06508	5.8
242.04509	37.0
248.07828	2.0
250.05002	15.4
251.05748	5.8
252.02931	16.7
253.03590	4.8
254.04510	23.1
254.07127	1.4
257.03217	5.2
266.04504	100.0
267.04987	3.5
268.03604	1.5
268.06055	39.4
278.04474	13.3
279.05289	18.0
294.03976	81.7
295.04385	2.3
296.05560	25.9
297.05768	1.0
304.05280	1.2
306.92270	0.9
308.09961	2.4
322.03479	38.0
340.04532	45.1
341.04758	1.3
345.13086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01863	3.5
55.05512	19.7
55.14479	1.2
57.03430	4.6
57.07079	11.6
65.03978	1.4
67.05506	29.0
69.07070	26.9
69.66407	7.9
71.04980	2.4
71.08627	3.2
71.38042	1.3
79.05490	25.1
81.07059	54.9
82.07399	2.6
83.04963	3.1
83.08617	12.8
85.06518	2.4
85.10191	1.8
85.16836	1.3
91.04970	1.8
91.05487	22.0
93.07040	42.5
95.04938	3.2
95.08607	42.3
96.08944	1.9
97.06536	5.2
97.10168	8.2
99.08117	2.4
105.07037	41.3
106.07299	1.4
107.08596	34.7
109.06487	3.6
109.10157	23.5
111.08076	3.9
111.11679	3.9
115.05419	1.9
117.07014	14.7
119.04974	2.6
119.08580	37.7
121.06544	4.2
121.10142	30.6
123.08089	2.8
123.11694	8.8
128.06184	2.0
129.06967	7.9
131.08571	19.9
133.06517	2.1
133.10132	24.2
135.08032	4.2
135.11688	12.4
137.06029	1.8
137.09592	4.4
137.13264	1.9
141.06998	4.8
142.07767	3.7
143.08575	17.4
144.09315	4.0
144.22098	1.5
145.10123	25.1
147.11697	21.4
149.13277	11.7
151.11186	2.5
155.08572	9.7
156.09319	3.7
157.10132	17.3
158.10907	1.8
159.08081	1.8
159.11691	32.0
161.09669	2.8
161.13268	22.8
163.11139	2.7
163.14857	10.7
167.08623	1.6
169.10088	10.9
170.10938	2.8
171.11688	17.2
173.13257	15.9
175.11212	5.9
175.14832	5.0
177.12724	7.4
179.14322	1.6
181.10130	5.7
182.10909	2.0
183.11676	11.3
184.12440	1.7
185.13280	9.5
187.14816	11.2
189.12787	4.0
189.16432	3.8
193.04945	3.8
193.10060	1.9
195.11693	9.2
196.12538	2.0
197.13281	12.1
199.14828	12.3
201.09134	1.8
201.16379	9.5
203.10730	1.4
203.18001	2.2
209.13313	7.1
211.11182	1.5
211.14845	11.2
213.12694	1.9
213.16402	15.0
215.10483	1.6
215.14336	2.8
215.17938	11.5
217.15865	2.3
223.14832	5.3
225.16364	9.8
227.17847	6.9
229.12230	2.8
229.15900	2.2
229.19533	3.9
237.16391	8.0
239.17964	6.5
240.18680	1.5
241.19487	2.3
243.17418	3.1
243.21191	1.9
245.18863	1.7
251.17868	7.9
253.19527	16.2
255.17442	1.6
255.21140	5.3
257.19009	2.4
265.19525	9.2
265.25339	1.9
267.21127	5.3
269.18939	2.4
279.20990	4.0
281.22595	5.3
283.14151	3.0
283.16974	20.2
283.20227	3.4
293.19238	2.3
293.22568	5.0
295.24115	2.1
311.27271	3.4
321.18433	2.2
321.25754	51.8
339.19760	4.8
339.23035	9.0
339.26520	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	339.2684
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
53.03942	1.6
55.01863	3.5
55.05512	19.7
55.14479	1.2
57.03430	4.6
57.07079	11.6
65.03978	1.4
67.05506	29.0
69.07070	26.9
69.66407	7.9
71.04980	2.4
71.08627	3.2
71.38042	1.3
79.05490	25.1
81.07059	54.9
82.07399	2.6
83.04963	3.1
83.08617	12.8
85.06518	2.4
85.10191	1.8
85.16836	1.3
91.04970	1.8
91.05487	22.0
93.07040	42.5
95.04938	3.2
95.08607	42.3
96.08944	1.9
97.06536	5.2
97.10168	8.2
99.08117	2.4
105.07037	41.3
106.07299	1.4
107.08596	34.7
109.06487	3.6
109.10157	23.5
111.08076	3.9
111.11679	3.9
115.05419	1.9
117.07014	14.7
119.04974	2.6
119.08580	37.7
121.06544	4.2
121.10142	30.6
123.08089	2.8
123.11694	8.8
128.06184	2.0
129.06967	7.9
131.08571	19.9
133.06517	2.1
133.10132	24.2
135.08032	4.2
135.11688	12.4
137.06029	1.8
137.09592	4.4
137.13264	1.9
141.06998	4.8
142.07767	3.7
143.08575	17.4
144.09315	4.0
144.22098	1.5
145.10123	25.1
147.11697	21.4
149.13277	11.7
151.11186	2.5
155.08572	9.7
156.09319	3.7
157.10132	17.3
158.10907	1.8
159.08081	1.8
159.11691	32.0
161.09669	2.8
161.13268	22.8
163.11139	2.7
163.14857	10.7
167.08623	1.6
169.10088	10.9
170.10938	2.8
171.11688	17.2
173.13257	15.9
175.11212	5.9
175.14832	5.0
177.12724	7.4
179.14322	1.6
181.10130	5.7
182.10909	2.0
183.11676	11.3
184.12440	1.7
185.13280	9.5
187.14816	11.2
189.12787	4.0
189.16432	3.8
193.04945	3.8
193.10060	1.9
195.11693	9.2
196.12538	2.0
197.13281	12.1
199.14828	12.3
201.09134	1.8
201.16379	9.5
203.10730	1.4
203.18001	2.2
209.13313	7.1
211.11182	1.5
211.14845	11.2
213.12694	1.9
213.16402	15.0
215.10483	1.6
215.14336	2.8
215.17938	11.5
217.15865	2.3
223.14832	5.3
225.16364	9.8
227.17847	6.9
229.12230	2.8
229.15900	2.2
229.19533	3.9
237.16391	8.0
239.17964	6.5
240.18680	1.5
241.19487	2.3
243.17418	3.1
243.21191	1.9
245.18863	1.7
251.17868	7.9
253.19527	16.2
255.17442	1.6
255.21140	5.3
257.19009	2.4
265.19525	9.2
265.25339	1.9
267.21127	5.3
269.18939	2.4
279.20990	4.0
281.22595	5.3
283.14151	3.0
283.16974	20.2
283.20227	3.4
293.19238	2.3
293.22568	5.0
295.24115	2.1
311.27271	3.4
321.18433	2.2
321.25754	51.8
339.19760	4.8
339.23035	9.0
339.26520	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	339.2686
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
51.02368	1.3
53.03951	2.6
53.94680	1.1
55.05264	1.9
55.05516	28.3
57.03442	9.0
57.07080	8.1
57.32586	1.1
63.52210	1.1
65.03947	2.0
67.05506	38.3
69.07072	47.0
69.25752	7.2
69.26171	4.2
71.05002	3.1
71.08627	3.9
77.03934	1.1
79.05067	1.7
79.05502	21.5
79.05958	1.9
81.03391	1.1
81.07061	62.0
83.04985	2.0
83.08627	19.3
85.06530	2.5
85.10170	2.4
91.05482	28.9
93.07045	43.8
95.04974	3.9
95.08612	51.2
97.06534	4.9
97.10177	10.2
103.05520	1.5
105.07037	37.7
107.04929	1.2
107.08598	34.8
109.06545	3.0
109.10159	25.4
111.08084	4.4
111.11717	3.7
113.02261	1.1
117.07023	12.8
119.08588	32.5
121.06551	1.2
121.09325	1.6
121.10155	22.8
123.08080	2.1
123.11720	7.1
125.09666	1.2
128.06230	2.4
129.06993	6.9
130.07794	1.8
131.08568	21.5
133.10144	17.8
135.08109	2.0
135.11697	19.3
137.09662	1.5
137.13235	2.6
139.11189	1.6
141.07011	5.9
142.07751	3.6
143.08588	14.4
144.09317	2.0
145.10138	20.1
147.08006	1.4
147.11702	16.2
149.09634	2.6
149.13260	26.6
151.14861	1.8
154.07729	1.2
155.08549	11.7
156.09360	3.1
157.10135	15.0
158.10995	1.2
159.11708	21.4
161.09654	3.5
161.13269	32.0
161.14610	1.6
163.11215	3.5
163.14812	13.0
167.08641	2.2
168.09354	2.2
169.10152	10.9
171.11690	10.9
173.09570	1.6
173.13272	16.1
173.49377	1.2
175.11234	3.3
175.14810	7.0
177.12758	12.3
179.14339	3.8
181.10120	6.4
182.10942	2.1
183.11708	7.4
185.13222	8.4
185.14607	1.2
187.11229	1.4
187.14807	7.8
189.12787	3.1
189.16420	5.1
191.14311	2.6
195.11713	5.3
197.13269	8.3
199.14854	8.6
201.12662	1.4
201.16434	7.1
203.14339	2.2
203.17964	2.2
209.13281	6.5
210.14032	1.3
211.14787	7.9
213.16408	9.4
215.14354	4.1
215.18001	2.8
217.15948	1.8
217.64378	1.3
223.14862	4.9
225.16422	9.1
227.17964	4.8
229.15958	4.8
229.19467	1.8
235.14911	1.2
237.16389	5.0
239.17979	5.9
241.19551	1.7
243.17448	3.7
251.17957	8.8
253.19612	2.1
255.21127	2.5
257.19031	4.7
265.19427	6.2
265.25339	1.3
269.19003	4.7
269.21857	1.2
279.21094	3.3
281.22711	2.6
283.20432	2.3
283.24359	1.6
293.19449	1.3
293.22653	3.0
311.27271	6.5
321.21927	2.5
321.25732	40.3
339.26364	100.0
340.27301	3.2
342.54819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03945	2.1
55.05514	48.4
57.03430	1.4
57.07064	1.9
67.05510	6.7
69.03435	3.4
69.07072	17.8
69.81143	4.2
71.04977	1.8
73.06549	1.0
79.05507	2.3
81.03432	0.9
81.07063	19.1
83.04980	1.2
83.08617	3.7
85.06535	2.5
91.05485	2.4
93.07045	6.4
95.04985	0.9
95.08611	27.8
97.06524	1.7
97.10175	100.0
99.08046	0.9
101.06035	1.4
101.14218	0.9
105.07034	5.2
107.08602	5.8
109.06557	1.5
109.10164	9.9
109.74371	0.8
110.78886	0.7
111.08068	1.2
111.11722	1.5
117.03367	2.3
119.08587	5.3
121.10109	4.6
123.08112	1.3
123.11751	5.3
125.09627	16.8
133.10158	2.1
135.08038	1.0
135.11703	3.2
137.05843	1.0
137.09641	1.6
137.13278	1.4
139.11185	3.0
141.09082	1.2
143.10683	41.1
145.02852	4.6
145.10141	1.0
147.11737	1.8
149.13297	3.0
150.92664	0.8
151.14815	3.6
157.10091	0.8
157.12245	1.1
159.11694	1.3
161.13300	3.0
163.11148	1.0
163.14806	1.3
165.12793	2.1
167.14308	1.3
171.10170	3.4
173.13234	1.3
174.08859	0.8
175.00958	0.9
175.14825	1.0
177.05539	6.7
177.06940	1.2
177.12746	1.3
179.14363	3.5
187.14839	1.3
189.11230	6.7
191.14276	1.0
195.13846	1.3
203.17949	1.0
205.06517	6.2
205.15962	0.8
219.17456	0.9
233.06001	3.1
233.15276	0.8
235.07513	6.6
247.07805	0.9
263.07028	12.7
263.09601	1.1
265.08682	1.5
275.23743	1.4
277.21713	1.4
279.06604	3.0
279.10031	1.0
280.07309	11.7
293.08130	19.0
303.23166	7.4
307.09787	1.2
309.07635	0.9
309.24261	1.0
321.09561	1.1
321.24252	28.1
323.08978	1.4
339.06854	0.9
339.12219	2.4
339.25415	3.7
340.11716	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03948	1.7
55.05519	48.3
57.03452	1.9
57.07071	2.6
66.46244	0.9
66.85566	0.9
67.05512	7.8
69.03443	3.9
69.07075	17.3
70.84206	1.7
70.84529	1.1
71.04995	2.0
79.05518	4.7
79.06500	0.9
81.03410	2.4
81.07067	19.8
83.04996	1.6
83.08642	5.2
84.59221	1.0
85.06547	2.8
88.18617	1.0
91.05493	2.5
93.07066	8.1
95.04990	1.5
95.08618	30.2
97.06542	1.2
97.10182	100.0
98.10526	1.0
99.08119	2.5
101.06046	1.8
103.16908	1.0
105.07038	7.8
107.04967	6.6
107.08620	8.1
109.06563	1.5
109.10168	9.8
111.08068	2.0
111.11733	1.9
113.09642	1.3
115.05498	1.6
117.03389	2.6
117.07073	1.2
119.08585	5.4
121.06482	1.1
121.10167	5.4
123.08081	1.4
123.11732	6.7
125.09650	16.8
131.04941	1.1
131.08580	1.5
133.10152	3.9
135.11726	3.0
137.05995	3.7
137.09595	1.6
137.13263	1.6
139.11198	2.3
141.07063	0.9
143.10690	40.3
145.02872	9.0
145.10162	1.9
147.11664	2.7
149.06013	1.5
149.09686	1.6
149.13313	4.7
151.07544	1.5
151.11227	2.0
151.14778	4.9
157.12259	1.8
159.11713	2.9
161.13286	4.0
161.72047	1.1
163.11195	1.2
165.07101	1.0
165.12814	2.6
167.14363	2.1
169.29817	0.9
171.10178	4.2
175.07539	1.2
177.05502	14.4
177.12808	1.4
178.08665	1.9
179.14297	2.7
189.11273	6.5
189.16428	1.1
195.13943	1.7
197.08397	5.9
199.73555	0.9
201.16449	1.0
205.06517	2.7
207.08269	1.3
214.08537	1.2
215.07678	1.0
215.09340	5.4
218.07137	1.2
219.08138	1.5
233.10336	1.7
235.07553	4.2
236.08301	1.1
237.18651	1.0
246.06868	1.0
247.07552	2.2
251.10646	1.1
261.09094	1.3
262.17679	1.0
263.07010	3.4
264.07828	1.7
275.23657	1.3
277.08365	1.0
277.21597	1.9
278.09204	1.0
279.10205	2.6
279.34937	0.9
280.07422	4.5
281.08160	1.7
293.08179	4.9
293.24750	1.6
303.23193	4.8
307.09711	4.5
309.07550	2.3
311.07333	1.7
311.12857	2.1
321.09521	1.2
321.24274	27.0
322.24435	1.5
339.07187	1.1
339.12073	6.8
339.25388	3.7
340.08359	1.0
340.12006	1.9
340.15472	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	339.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.6
55.05499	10.3
57.03453	4.1
65.84022	4.2
67.05515	32.8
69.03430	9.0
69.60444	22.1
69.60854	9.5
70.06590	5.3
70.79768	4.7
71.05003	77.2
72.29590	4.5
73.99131	4.7
79.05489	6.7
81.03452	4.4
81.07072	73.0
83.04951	4.6
84.08104	4.4
85.02901	13.3
85.06532	16.0
93.07058	6.4
95.08593	13.3
98.20846	10.3
102.61681	4.5
105.07036	16.1
106.84466	4.3
107.04964	9.1
123.04373	5.3
123.11697	13.8
127.03963	8.3
131.04941	7.0
133.06487	18.4
138.09212	4.6
138.23993	4.2
139.03893	6.6
141.12750	100.0
145.02838	16.9
147.04382	5.0
149.05995	6.9
151.34975	4.4
159.13849	52.5
164.07057	6.9
165.72740	4.6
177.05469	67.8
177.06863	6.0
177.14893	23.9
178.08710	5.6
191.03450	5.3
196.14439	6.6
203.03304	7.8
205.05042	10.2
224.03482	6.1
233.04427	16.9
238.05147	6.0
242.04430	21.2
250.04868	7.8
251.05403	8.0
252.02805	7.6
254.04539	15.8
266.04477	47.4
268.06070	18.1
278.04349	5.4
279.05283	9.6
294.04050	42.4
295.04556	14.5
296.05576	8.2
303.05118	5.1
307.09625	6.7
321.05832	6.1
322.03476	17.2
339.06958	16.7
339.11575	9.9
339.15683	6.6
340.04666	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	9.3
67.05488	30.9
69.07043	17.3
71.56127	12.5
72.04431	8.5
74.87855	8.6
75.04467	35.7
79.05492	51.8
81.07061	100.0
83.08643	10.2
85.86377	9.4
91.05482	57.8
92.21731	8.7
93.07047	67.9
95.04976	9.8
95.08623	46.5
105.07025	74.8
107.08607	99.8
109.06544	13.2
109.10188	23.7
117.05490	29.7
117.07011	42.1
119.08599	64.4
121.06606	9.9
121.10120	35.3
125.24418	9.4
129.07025	16.6
131.08595	67.0
133.10132	38.0
135.08037	13.9
135.11705	12.3
143.08559	25.2
144.09383	9.7
145.06488	13.6
145.10120	76.8
147.11682	22.4
151.07535	13.6
155.08569	12.0
157.10139	39.3
159.11719	61.3
161.13228	14.2
163.14821	22.8
171.11725	18.6
173.13248	18.5
177.05487	16.7
181.44620	11.1
185.13278	13.3
201.16434	97.4
225.12801	10.0
267.38989	9.5
275.18021	12.9
293.18744	11.4
321.18222	10.6
339.15979	21.0
339.19531	52.8
339.23114	17.2
339.26694	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	339.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05513	46.2
57.03436	1.9
57.07076	3.1
58.71886	0.8
67.05507	7.6
69.03436	3.1
69.06718	1.4
69.07070	18.7
71.04990	1.8
71.08627	1.0
71.56409	1.4
73.06590	1.0
79.05489	4.2
80.83920	0.9
81.03427	3.6
81.06585	1.3
81.07059	24.0
83.04986	1.3
83.08612	3.0
85.06575	2.3
89.03918	1.9
91.05486	4.3
92.74855	1.0
93.07047	8.5
95.04968	2.8
95.08610	29.8
95.74146	0.9
97.06509	2.4
97.10174	100.0
98.10459	1.0
99.08091	1.2
101.06030	0.9
105.07015	6.5
107.04960	8.8
107.08600	9.2
109.02878	1.2
109.06527	2.6
109.10170	10.9
111.08099	2.5
111.11703	1.1
115.05448	2.2
117.03376	5.5
117.06987	1.4
119.05029	1.2
119.08585	6.4
121.06483	1.8
121.10166	6.4
123.08115	1.5
123.11732	7.0
125.09636	16.9
129.07011	1.4
131.04955	1.5
131.08640	1.4
133.10130	4.0
135.11676	4.7
137.06010	5.7
137.09528	1.2
137.13290	2.6
139.11194	3.8
141.09128	1.3
142.41843	0.9
143.04944	1.2
143.10680	45.5
143.11810	2.2
145.02864	14.0
145.06459	1.3
145.10139	2.4
147.11717	3.4
149.05975	3.5
149.13274	3.9
151.04027	1.0
151.07552	2.3
151.11156	1.2
151.14827	3.0
153.12654	1.2
155.08536	1.0
157.10034	1.0
157.12257	1.3
159.08084	1.1
159.11693	2.8
161.09639	1.2
161.13255	4.0
163.11237	1.3
163.14833	1.3
165.06949	0.9
165.12782	3.2
167.14369	1.7
169.08907	2.3
171.10179	4.0
171.11584	1.1
173.13303	1.7
175.14876	1.5
177.05486	25.9
177.12766	1.6
178.08673	1.8
179.08641	1.3
179.14343	2.1
187.14938	1.2
189.11217	8.8
190.07774	1.5
191.08522	1.7
195.13850	1.3
197.08333	7.6
199.14848	1.5
203.08554	1.1
204.10178	1.0
205.06534	4.6
207.08130	3.1
209.09483	1.3
214.08717	1.8
215.09383	6.8
218.07326	2.6
219.08116	6.6
221.05974	1.8
223.07465	1.8
233.05968	3.3
233.10413	3.6
234.06827	1.2
235.07622	7.4
236.08380	2.6
237.09148	1.7
246.06706	2.6
247.07600	6.0
248.08318	1.4
249.05643	1.7
249.09259	1.2
251.07010	2.6
251.10641	2.4
253.08658	1.5
261.09073	1.8
261.72552	1.1
263.07034	6.3
264.07791	4.0
265.08545	2.4
275.07187	1.4
277.08490	1.8
277.21616	1.8
278.09250	2.2
279.06741	1.9
279.10135	5.3
280.07349	6.5
281.08142	2.7
283.05884	1.1
292.07281	2.6
293.08228	7.9
293.24966	1.4
296.10123	1.4
297.11252	2.1
303.23224	5.7
306.09039	1.6
307.09674	9.3
308.10324	1.1
309.07544	3.4
309.11432	1.6
311.12753	5.1
321.10947	1.9
321.24255	25.5
323.08984	1.8
324.09839	1.3
339.07111	2.5
339.12183	17.6
339.16269	2.3
339.25397	5.3
340.08301	1.5
340.11899	3.9
340.15482	16.2
340.19519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
54.31892	0.4
55.01876	0.4
56.64809	0.4
61.07240	0.4
67.10892	0.3
69.03433	0.9
69.07063	0.7
71.56496	0.4
79.11462	0.3
80.52580	0.3
81.03409	0.8
81.07050	1.1
83.04984	0.4
86.99094	0.4
87.87565	0.4
89.03880	0.4
91.05494	0.4
93.07042	0.7
94.43430	0.4
95.08581	0.8
105.07050	0.9
107.08600	1.0
117.03387	1.1
117.06980	0.6
119.08617	0.4
123.11673	0.5
131.05005	0.5
135.11784	0.4
137.06009	0.5
141.23422	0.4
145.02827	2.4
151.07581	0.5
152.06259	0.6
165.07018	1.6
166.07782	0.4
167.08575	2.3
177.05501	3.5
177.06921	0.8
178.07747	1.9
179.08559	3.1
180.05615	0.5
181.06468	1.0
181.10135	1.0
189.07007	2.1
190.07835	1.1
191.08597	5.3
192.09435	2.3
192.10924	0.5
193.06496	1.0
193.10063	0.5
194.07324	1.1
195.06459	0.3
195.08073	6.1
201.06853	0.4
202.07793	1.1
203.08675	1.8
205.06526	4.0
206.07294	2.0
207.08064	13.9
208.05188	0.9
208.08835	1.8
209.05989	0.6
209.09625	3.1
210.06750	1.2
217.06499	1.5
218.07320	1.3
219.08054	5.4
220.08856	5.1
221.06064	2.1
221.09560	2.3
222.06779	1.7
223.07558	7.8
223.09711	0.6
224.08292	0.7
225.09215	0.7
231.08041	0.8
233.06059	1.9
234.06779	2.5
235.07550	24.8
236.04672	1.3
236.08257	3.5
237.05470	0.9
237.09114	6.0
238.06287	3.6
238.09908	9.3
238.12376	0.5
239.07109	0.6
239.10326	0.5
241.05003	0.5
246.06891	0.7
247.03925	0.6
247.07545	4.6
248.08336	4.4
249.05423	1.2
249.09096	4.0
250.06271	7.5
250.09837	3.7
251.07074	9.6
251.10709	0.8
252.07776	1.0
253.08586	1.5
261.05560	1.2
261.09158	1.3
262.06284	1.3
263.07050	10.9
264.07819	5.6
265.05444	0.8
265.08594	11.7
266.09390	24.8
267.09982	1.7
275.06863	0.9
276.07742	0.8
277.08621	8.4
278.05829	2.4
278.09409	10.3
279.06567	3.6
279.10126	2.7
280.07306	1.0
281.08112	7.8
281.11719	4.6
282.08698	0.4
290.05780	0.6
291.06625	2.4
292.07242	1.7
293.08096	23.0
294.08850	20.5
295.09692	7.8
296.06390	1.3
296.09897	0.5
305.08090	3.2
306.08853	2.8
307.06241	0.8
307.09619	4.4
308.10437	72.9
309.07590	5.8
309.11188	18.8
321.10571	0.4
323.09149	3.6
324.09943	4.4
339.12283	100.0
340.12347	2.9
340.16092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
65.03945	1.7
66.47281	1.6
67.05502	4.2
68.99773	7.9
69.03419	4.2
70.06566	2.3
71.04990	6.3
71.55746	2.0
79.05488	3.4
81.03416	2.8
81.07057	6.3
85.02922	2.2
85.06530	3.4
86.07216	1.9
91.05500	4.8
93.07069	2.0
95.05009	2.7
95.08634	2.5
97.02906	4.5
103.05430	2.0
105.07044	3.5
107.04965	3.8
109.02927	2.5
111.00779	2.7
111.04460	2.3
115.05445	2.8
117.07006	2.9
119.04948	2.7
121.02920	3.0
121.06490	1.6
123.04456	6.6
123.11744	2.0
125.02371	3.9
128.06174	1.6
128.23817	1.6
131.04930	4.6
133.06500	4.4
135.04411	2.2
137.05948	2.0
139.02933	2.6
139.03923	35.4
141.09119	1.8
141.12740	7.4
145.02858	4.1
145.06516	5.9
147.04405	5.2
149.02429	1.9
149.05997	4.2
151.03943	4.6
152.07083	3.2
155.03543	2.1
155.04936	4.8
158.03688	1.9
159.04449	5.0
159.13826	4.3
161.06007	5.6
162.01640	1.6
163.03938	17.2
165.01923	1.7
169.51768	1.6
171.04482	3.5
173.06032	2.2
175.03915	8.7
176.07181	1.8
177.05470	100.0
179.03413	1.7
180.10330	1.7
181.04947	5.6
183.02937	2.1
183.04427	6.0
185.06032	2.9
186.03069	2.3
187.03932	16.2
189.05450	9.6
189.06915	1.9
191.03427	11.4
193.05022	4.3
201.01918	2.0
201.05524	5.6
203.03426	59.5
204.03789	1.9
205.04980	57.4
209.78055	1.8
211.03954	1.8
213.05501	2.6
214.02724	3.5
214.05045	3.7
215.03378	26.2
217.04987	6.4
218.07254	1.8
219.02916	5.9
219.08105	4.2
221.04474	11.6
226.05026	2.8
229.04993	7.2
231.02881	15.5
231.06546	3.2
233.04462	65.4
237.03835	2.0
239.03412	27.9
241.05121	2.7
242.02138	21.0
242.04529	5.5
246.06737	3.5
247.06020	6.3
247.07982	2.8
249.03987	5.8
250.05000	3.2
251.05539	37.9
252.03006	2.9
254.04506	4.4
257.04443	16.8
259.02396	3.3
259.06073	4.5
260.03152	4.2
264.07813	1.7
266.04514	14.5
267.02893	26.6
268.06003	7.4
275.05618	6.0
277.03494	11.7
277.06659	2.7
278.04535	2.4
279.05139	3.3
285.03986	10.3
294.03922	13.8
295.04510	28.0
296.05594	3.7
303.05008	23.0
303.13394	1.6
307.09497	12.1
321.06088	40.8
322.03586	5.7
339.07162	57.7
339.11926	4.6
340.04514	6.5
353.78415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43745	3.7
69.44177	2.9
72.04518	3.9
79.32100	0.7
93.07047	1.1
105.07008	0.8
109.10076	0.9
114.02938	0.8
148.56151	0.8
157.15984	0.9
160.26762	0.7
165.07011	0.9
176.06166	1.1
177.06990	11.8
178.07811	0.9
179.08572	4.9
189.07002	4.3
204.08110	1.7
205.06511	45.4
206.07059	1.1
207.08080	4.5
217.06534	1.4
221.05946	1.0
222.07066	1.2
222.09152	6.7
232.07544	1.4
233.05983	28.8
234.06146	0.9
235.07550	54.5
237.09048	1.3
245.06120	1.8
250.08725	2.4
251.07016	4.2
262.08682	2.1
263.07050	93.7
278.52087	0.8
280.09692	12.4
290.08099	8.1
293.08090	100.0
294.08405	2.3
308.09195	11.3
321.07458	1.8
338.06573	1.1
338.10245	3.5
338.25650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1238
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
61.02938	0.2
69.03421	0.5
70.32088	0.6
73.02908	0.3
83.21193	0.2
85.02904	0.6
96.08145	0.2
97.02883	0.3
98.97605	0.4
99.31522	0.2
119.01895	0.3
127.03898	0.2
130.12315	0.2
133.05241	2.6
139.03931	0.8
143.01872	0.9
148.07597	0.2
155.01900	0.2
160.07553	0.3
161.03111	0.4
161.04732	11.3
162.05057	0.2
163.02682	0.2
173.02924	0.2
174.04753	0.2
175.06288	0.2
176.07082	100.0
177.07416	1.8
185.06682	0.3
205.03615	0.2
221.04947	0.2
240.46136	0.2
275.09793	0.4
293.10843	0.6
299.80081	0.2
338.09088	0.3
338.12521	1.9
338.16727	0.2
341.59720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03946	2.7
55.01884	1.6
55.05517	36.6
57.03443	17.0
57.07080	6.0
65.03950	2.6
67.05510	73.4
69.07072	41.0
70.82556	0.9
70.82892	1.3
71.04993	2.8
71.08643	2.6
76.16802	0.8
79.05057	1.8
79.05495	23.1
81.07063	79.0
83.04988	2.7
83.08624	19.6
84.08038	0.8
85.06560	3.1
86.53460	0.7
91.05488	14.1
93.07049	24.3
95.04994	2.2
95.08614	68.2
97.06533	5.0
97.10172	13.2
99.08144	1.0
101.06048	1.0
105.07049	12.8
107.08596	15.1
109.06521	1.3
109.10168	26.5
111.08091	2.3
111.11732	3.5
113.09664	1.7
117.07093	1.2
119.08586	11.6
121.10153	9.7
121.14367	0.8
123.08020	1.5
123.11717	11.5
125.09672	1.7
129.06941	1.1
131.08591	2.4
133.10155	8.3
135.11710	6.8
137.09607	1.9
137.13292	4.4
139.11212	1.0
143.08670	1.1
145.10120	3.3
147.11674	6.4
149.13272	4.5
151.11205	1.4
151.14841	1.1
153.12775	1.0
155.08607	0.9
157.10208	0.8
159.11711	2.1
161.13269	4.6
163.14836	3.5
171.11717	1.2
173.13290	1.4
175.14827	3.8
181.10239	0.8
185.13287	1.3
187.14873	1.8
189.16400	1.9
193.16010	1.3
195.11589	0.9
199.14873	1.7
211.14835	1.3
245.22710	5.3
263.17935	1.0
263.23752	6.9
337.27451	100.0
338.27805	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	337.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.05530	8.3
57.01884	1.7
57.03436	1.9
57.06827	1.6
57.07089	18.9
65.03954	1.5
66.16238	1.6
67.05512	26.6
67.70457	1.6
69.03429	2.7
69.07079	11.2
71.04992	2.6
71.55286	2.1
71.55659	2.1
79.05054	2.8
79.05498	30.3
81.03417	2.4
81.07064	41.5
83.04977	5.8
83.08615	4.1
85.06538	3.7
91.05499	20.3
93.07063	34.3
95.04969	7.2
95.08057	3.2
95.08622	45.8
97.06548	4.8
97.10154	3.7
103.07572	2.3
104.32425	1.5
105.07046	56.3
107.04951	4.4
107.08604	32.8
109.06532	6.9
109.10166	23.4
111.04433	5.8
111.08092	4.5
112.34778	1.6
115.05438	3.0
117.07038	12.0
119.08591	34.8
121.06531	8.5
121.10164	23.5
123.08086	7.9
123.11729	5.4
125.05970	2.3
127.07521	4.7
128.06227	5.6
129.07011	10.1
131.00330	1.6
131.08577	24.0
133.10144	27.7
135.08093	13.5
135.11693	9.9
137.09631	2.7
137.13306	1.8
139.07558	3.9
141.06883	1.8
141.09032	2.6
142.07756	7.1
143.08592	19.3
144.09319	2.3
145.06543	2.0
145.10120	18.8
147.07982	3.9
147.11703	15.4
149.09622	3.0
149.13232	6.5
149.15648	1.6
153.09119	19.5
155.08533	3.8
156.09373	3.3
157.10144	23.9
159.11705	30.0
161.09586	4.9
161.11971	2.8
161.13284	42.5
163.14780	3.4
165.09081	4.0
167.10654	2.4
169.10124	5.9
170.10867	2.7
171.11736	14.3
173.09679	1.7
173.13275	11.7
175.11229	4.3
175.14799	5.3
177.12790	1.9
177.16380	2.1
179.08603	2.3
179.10619	2.3
181.10123	3.5
183.11700	4.9
184.08783	1.6
184.12463	2.1
185.13226	2.9
187.14789	8.8
189.12791	1.7
189.16418	7.5
193.10153	3.6
193.15941	1.5
195.11731	3.7
197.13258	5.4
199.14830	30.2
201.16486	1.7
205.15971	4.2
209.13264	3.7
211.14838	3.2
213.16423	2.7
217.15909	36.2
219.13841	1.7
221.13318	2.3
223.14828	3.5
225.16376	3.0
235.16949	100.0
241.78981	1.7
251.18233	1.8
253.21732	2.0
263.17957	2.3
279.21100	3.9
301.21579	5.7
309.06097	1.7
309.22089	1.8
309.25668	2.1
319.19675	1.8
319.23636	6.6
320.06464	2.3
322.06543	1.7
337.08856	9.1
337.14456	2.2
337.19943	10.9
337.25101	29.9
337.29044	5.4
338.06561	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	337.2375
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03943	3.8
55.01849	2.5
55.05514	80.5
55.41509	2.1
57.03429	3.7
57.07071	7.2
57.91502	2.1
59.05005	3.5
65.03946	2.6
67.05169	3.2
67.05506	38.7
68.61243	2.2
69.03435	14.5
69.07071	60.5
69.95811	8.9
71.01334	7.4
71.04995	29.1
79.05503	26.5
81.03408	2.6
81.07063	75.7
83.04992	17.5
83.08630	11.0
85.06565	4.4
87.08050	2.1
91.05487	22.8
93.06472	4.0
93.07047	66.6
95.04988	16.7
95.08613	67.8
97.06544	16.9
97.10177	100.0
99.04443	2.5
99.08087	2.1
105.07035	35.6
107.04955	3.0
107.08599	59.7
109.06548	11.3
109.09452	3.8
109.10162	49.4
111.08092	6.4
111.11749	12.0
113.09604	2.6
117.07037	4.2
119.08589	29.8
121.06493	7.9
121.10143	44.6
123.08059	16.4
123.11709	16.3
124.05187	2.4
125.09641	22.3
127.10981	2.1
131.08582	11.0
133.10147	26.4
135.08061	9.2
135.11703	29.1
137.05962	3.0
137.09618	12.9
137.13292	3.4
139.11182	25.6
141.09164	2.9
142.07751	2.5
143.08553	3.7
143.10674	23.0
144.09270	2.0
145.10130	20.2
147.08029	5.3
147.11722	16.7
147.13710	2.3
149.09612	9.2
149.13301	17.4
151.07558	4.8
151.11166	9.9
153.09084	5.5
153.12749	7.9
155.10678	2.6
157.10217	9.5
157.12279	11.6
159.11720	16.7
161.09641	6.2
161.13252	8.2
163.11179	20.8
163.14787	2.6
165.09108	7.7
165.12752	3.8
167.14339	3.0
171.10233	2.3
171.11659	3.3
173.09518	2.2
173.13237	8.2
175.11157	10.9
175.14824	6.6
177.12761	9.1
179.10696	2.7
181.12270	14.0
185.13307	2.9
187.14847	5.3
189.11223	2.8
189.12733	3.7
191.14343	2.6
193.12135	4.4
193.15694	2.1
195.10289	2.8
195.13829	4.3
199.14790	5.5
201.16339	2.7
203.14262	5.1
205.15912	3.2
207.13799	2.1
215.14511	2.3
217.06598	2.3
217.15891	3.7
233.05940	2.8
240.62920	2.1
255.21091	3.9
261.01672	2.1
273.22162	5.8
275.20160	3.6
280.06174	2.2
283.20511	6.8
291.23221	9.5
292.06046	2.2
293.07861	2.3
293.21188	8.3
294.08752	2.1
301.21698	26.8
319.22656	27.4
337.05289	4.7
337.09784	15.5
337.23883	18.6
338.06516	2.6
338.10257	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	337.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
53.19446	3.0
55.01877	6.3
55.05521	18.4
57.07072	6.4
62.06096	3.0
64.03452	3.0
65.03949	5.2
66.90233	3.4
67.05509	38.8
68.92038	3.3
69.03432	11.0
69.07074	25.7
71.04997	9.7
71.55354	3.9
71.65616	3.1
74.27869	2.9
76.34939	3.2
79.05495	28.0
81.03426	5.2
81.07063	47.3
82.07360	3.6
83.04984	15.9
83.08617	11.1
85.06551	12.1
91.05476	32.2
93.07051	49.3
95.04990	16.8
95.08614	50.7
97.06552	9.8
97.10165	6.6
99.04487	3.3
103.05437	4.5
105.07035	50.7
107.04948	4.6
107.08611	55.3
107.37550	3.0
109.06556	17.2
109.10167	32.8
111.04416	5.1
111.08116	7.9
111.11749	5.0
113.06036	6.4
115.05473	5.7
117.07014	15.6
119.08598	54.1
121.06525	11.5
121.10147	42.2
123.04430	3.9
123.08091	14.6
123.11699	18.2
125.06043	4.8
125.09683	7.0
127.07571	3.5
128.06229	8.4
129.07039	17.9
130.07790	4.0
131.08574	25.2
133.10144	40.8
135.08076	19.0
135.11716	29.8
137.06004	13.5
137.09613	11.3
137.13228	4.9
141.06976	5.1
142.07811	14.7
143.08562	35.7
145.10136	25.9
147.08109	11.3
147.11711	24.9
149.06032	4.6
149.09625	11.4
149.13281	14.6
151.07558	3.6
151.11194	4.2
153.09209	3.8
155.08586	11.5
156.09380	6.3
157.10153	39.8
159.11716	38.0
161.09650	13.8
161.13255	15.6
163.07581	13.0
163.11205	7.4
163.14801	5.3
165.09201	6.4
167.10670	6.3
169.10226	8.8
170.10933	4.4
171.11697	23.4
173.09621	6.5
173.13293	25.3
175.11198	8.6
175.14865	8.6
177.09253	8.3
177.12788	5.5
178.07855	3.5
179.14346	9.9
181.10100	7.6
183.11790	8.2
185.13300	10.4
187.11252	4.9
187.14830	9.8
189.12772	8.0
189.16411	8.3
191.10641	4.7
193.10141	3.4
193.12231	3.8
195.11769	6.5
197.13396	6.9
199.11220	3.8
199.14857	55.5
201.16447	3.3
205.12265	4.3
211.15053	3.7
213.09138	4.4
213.12769	5.2
213.16423	10.5
215.14374	3.8
217.12321	6.4
217.15909	26.0
218.16327	3.6
225.16359	3.2
227.18050	6.9
231.17384	4.6
234.06433	4.5
235.16949	10.5
237.16376	5.6
241.15901	7.4
245.18887	7.4
255.17531	11.6
255.21149	5.7
259.16956	12.1
263.20154	5.6
273.15729	6.0
273.18564	54.3
273.21689	6.2
278.05386	6.2
283.16928	8.2
283.20233	5.5
291.19781	23.0
291.22736	4.9
301.18100	16.7
301.21643	17.2
310.07254	3.8
319.19067	100.0
319.22757	28.5
320.06400	7.3
337.05319	3.4
337.08926	48.0
337.13992	4.4
337.17746	7.7
337.24524	15.6
337.28992	5.9
338.06607	6.9
338.10452	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	337.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90674	1.2
55.01868	3.1
55.05518	11.2
55.60009	1.2
55.67253	1.3
57.07069	2.0
62.84634	1.2
67.05505	12.5
67.23460	1.3
69.03410	3.9
69.07076	11.7
69.86066	6.5
71.04993	5.3
79.05492	10.8
81.03430	1.8
81.07060	29.7
83.04978	5.2
85.06548	4.0
91.05480	17.1
93.07040	25.6
95.04971	4.5
95.08608	21.8
97.06522	5.7
97.10184	6.4
105.07033	44.7
107.04942	1.6
107.08607	23.5
109.06516	10.4
109.10167	8.5
110.53239	1.7
111.08073	2.6
114.93662	1.4
115.05446	3.5
117.07008	12.0
119.08584	28.4
121.06522	3.2
121.10163	11.4
123.04457	1.6
123.08096	6.5
123.11707	3.1
125.09633	1.8
128.06201	9.3
129.07013	15.8
131.08578	30.7
133.10150	22.5
135.08038	3.7
135.11687	4.1
137.09621	3.9
139.11162	4.6
141.06920	3.1
142.07796	15.8
143.08565	48.1
145.09042	2.0
145.10132	23.6
147.08014	3.1
147.11691	15.4
149.09622	3.3
149.13223	2.4
151.07515	1.8
153.09116	2.0
155.08533	4.3
156.09351	3.9
157.10130	54.1
157.12154	2.7
158.10869	4.0
159.11691	30.4
161.09634	8.5
161.13228	4.5
165.06953	1.7
165.09125	1.4
169.10110	4.4
170.10954	1.7
171.11697	20.2
173.13260	20.3
175.11171	8.2
175.14824	5.6
177.12758	4.0
184.12535	2.6
189.12695	2.8
189.16373	15.1
197.13362	1.8
199.14828	100.0
200.15173	2.0
217.15872	66.9
218.15996	1.7
220.08864	1.4
223.14754	1.4
234.06729	3.3
235.16924	29.0
241.15884	1.7
259.16852	4.1
276.07690	2.4
277.08554	3.9
277.17896	2.7
292.06155	2.1
294.08405	1.6
301.21527	1.6
305.08102	1.8
310.07037	1.8
319.22650	4.0
320.06091	1.5
322.07941	1.8
337.05310	2.8
337.09915	9.8
337.20099	3.9
337.23868	2.0
338.06589	3.9
338.10248	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	337.1105
Annotation	Firocoxib
Peak:m/z	Relative Intensity
50.72575	0.4
58.48183	0.4
60.14143	0.3
62.57842	0.3
70.15228	1.6
87.40905	0.4
101.00898	1.7
119.01942	1.9
131.01953	0.5
139.80693	0.4
145.03462	0.7
157.03511	1.8
161.03011	0.5
174.51169	0.4
175.02882	0.4
175.04503	0.8
175.05901	0.9
193.05656	1.1
198.08130	0.4
206.57990	0.4
214.44223	0.4
220.02986	0.4
233.61734	0.4
235.06676	1.0
235.68414	0.4
247.06770	0.7
271.06705	0.7
281.00812	0.4
283.08801	0.5
337.11084	100.0
338.11420	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	11.3
61.02937	12.1
67.05508	3.2
68.99783	6.3
70.06606	5.8
70.54181	6.1
70.54585	5.0
73.02888	4.3
81.03373	3.1
81.07057	2.4
83.01341	5.6
85.02850	3.8
90.01189	2.7
91.03941	3.4
91.05480	6.5
97.99321	2.5
101.02370	6.8
103.05474	31.4
105.07032	10.4
107.04952	3.0
115.05431	12.4
117.07012	4.6
118.04144	11.2
119.04955	5.2
123.04438	4.4
123.73754	2.6
127.03881	2.4
129.03345	3.0
129.06993	7.0
130.04140	11.8
130.06528	3.6
131.04930	91.7
131.08562	4.5
132.05670	2.6
133.06493	10.7
139.03908	7.3
141.07011	18.4
143.04950	5.1
144.05701	7.3
145.06483	11.3
145.83850	2.4
146.03596	13.0
147.04399	13.0
151.03918	6.3
155.03371	5.3
155.04878	5.3
155.06035	3.6
157.02864	10.3
157.06558	14.5
158.03708	3.4
158.06027	10.2
158.07227	5.4
159.04446	17.4
159.08072	4.8
160.05217	7.0
161.02386	4.4
161.05957	22.7
162.03152	2.9
163.03856	3.9
166.05019	6.1
167.07027	4.8
169.06465	17.8
170.03674	4.9
171.04414	11.3
173.05980	14.0
174.03165	4.8
175.03925	8.6
175.07463	5.7
176.04695	17.1
176.07095	5.2
177.05595	6.3
178.06268	10.4
181.04967	4.8
183.04332	3.4
184.05203	4.0
185.02318	3.4
185.05943	10.8
186.06699	9.8
187.03922	45.2
187.07542	10.0
188.04665	10.3
189.01933	16.5
189.05493	25.1
190.06203	5.9
191.07054	85.9
192.04132	3.8
193.08623	9.4
197.06001	21.4
199.03864	6.7
200.04686	7.3
201.05504	7.9
201.09096	4.0
202.02654	4.2
202.06300	2.7
203.03436	14.4
203.06979	7.4
204.04193	50.0
204.07787	4.6
205.04964	10.9
205.08621	10.3
206.05763	8.5
211.07483	5.6
213.05443	7.8
214.06262	6.2
215.03412	4.0
215.06985	23.4
216.04195	5.6
217.04988	20.5
217.08606	6.6
218.05678	14.3
219.06538	65.9
220.03529	3.6
221.08090	7.6
229.04926	4.0
229.08618	12.7
230.05725	6.0
231.02821	9.2
231.06519	14.4
232.07071	2.9
233.08078	11.7
234.05183	10.8
235.06097	12.4
241.04924	6.8
242.05742	4.6
243.06564	19.6
245.04478	37.6
245.08101	20.9
247.05968	6.5
247.09686	19.7
249.07651	8.7
257.08148	27.2
259.06070	4.5
260.06821	43.6
261.07538	6.7
262.04767	22.3
263.05511	20.9
269.04416	9.1
273.07660	16.9
275.06039	3.8
275.09152	79.7
277.07089	100.0
287.05457	16.5
291.08661	6.3
301.07016	14.3
319.08026	28.0
319.11658	3.2
337.09244	10.6
337.14063	11.2
337.17761	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	337.0707
Annotation	Garhwalin
Peak:m/z	Relative Intensity
53.26512	0.3
57.11891	0.3
65.03934	0.4
65.15608	0.2
66.85019	0.3
67.05510	1.4
68.99789	1.5
69.03423	0.3
70.87440	0.5
70.87778	0.4
76.68111	0.2
79.05497	1.2
81.03426	0.6
81.07088	0.4
83.04970	0.4
84.32153	0.3
89.03880	0.3
91.05494	1.9
93.07028	0.4
95.04976	3.8
97.02892	0.3
101.98872	0.2
107.04964	2.9
111.04472	0.3
117.03393	0.4
119.04947	3.2
119.08543	0.3
121.02873	5.9
121.10198	0.3
123.04437	0.6
135.04417	4.2
135.08067	0.3
137.06001	0.3
141.81200	0.2
145.02849	5.3
149.02357	0.6
163.03914	16.9
173.02271	0.3
176.01031	0.5
179.08617	0.4
181.04977	6.3
191.03409	9.3
194.02075	0.4
207.08177	0.3
209.04411	1.6
213.85234	0.2
219.02861	0.4
235.07425	0.3
239.07097	1.0
253.08577	1.3
263.07019	1.4
266.05725	0.7
267.06552	1.8
279.06519	3.1
280.07278	0.4
281.08102	33.7
282.08383	0.7
283.05902	0.4
291.06561	1.1
294.05347	2.1
295.05997	0.9
307.06070	0.8
308.06711	1.7
309.07584	85.4
310.07901	2.0
337.07068	100.0
338.07477	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	337.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26512	0.3
57.11891	0.3
65.03934	0.4
65.15608	0.2
66.85019	0.3
67.05510	1.4
68.99789	1.5
69.03423	0.3
70.87440	0.5
70.87778	0.4
76.68111	0.2
79.05497	1.2
81.03426	0.6
81.07088	0.4
83.04970	0.4
84.32153	0.3
89.03880	0.3
91.05494	1.9
93.07028	0.4
95.04976	3.8
97.02892	0.3
101.98872	0.2
107.04964	2.9
111.04472	0.3
117.03393	0.4
119.04947	3.2
119.08543	0.3
121.02873	5.9
121.10198	0.3
123.04437	0.6
135.04417	4.2
135.08067	0.3
137.06001	0.3
141.81200	0.2
145.02849	5.3
149.02357	0.6
163.03914	16.9
173.02271	0.3
176.01031	0.5
179.08617	0.4
181.04977	6.3
191.03409	9.3
194.02075	0.4
207.08177	0.3
209.04411	1.6
213.85234	0.2
219.02861	0.4
235.07425	0.3
239.07097	1.0
253.08577	1.3
263.07019	1.4
266.05725	0.7
267.06552	1.8
279.06519	3.1
280.07278	0.4
281.08102	33.7
282.08383	0.7
283.05902	0.4
291.06561	1.1
294.05347	2.1
295.05997	0.9
307.06070	0.8
308.06711	1.7
309.07584	85.4
310.07901	2.0
337.07068	100.0
338.07477	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	336.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86485	4.1
55.05524	26.1
57.03433	17.3
57.07077	11.6
60.51196	4.1
67.05509	73.9
69.07067	32.3
71.04986	6.5
71.55717	8.6
79.05492	22.5
81.07063	91.0
83.08623	26.1
86.98813	4.5
91.05459	11.0
93.07057	36.1
95.08621	75.4
96.08953	5.8
97.06504	8.7
97.10189	17.4
105.07027	17.4
107.08600	27.9
109.06506	6.4
109.10166	43.7
111.08080	6.9
111.11679	4.2
119.08598	24.3
121.09350	6.5
121.10139	25.5
123.11745	22.1
131.08540	12.7
133.10138	17.3
135.11679	22.4
137.13240	6.7
145.10133	12.3
145.98761	4.7
147.11699	17.3
149.13252	10.5
157.10127	8.9
158.85872	4.9
159.11739	15.4
161.13243	23.8
163.14899	9.7
173.13309	6.6
175.14795	13.9
185.13344	6.3
187.14809	7.1
189.16463	4.6
221.15347	6.9
231.21028	9.1
233.06256	5.1
241.19492	12.8
241.51709	5.3
245.22754	12.2
255.21275	5.6
259.20618	11.4
261.05731	5.6
263.23825	11.5
270.21042	4.7
273.22101	24.7
283.20535	10.8
301.21640	53.4
306.07556	6.5
308.05725	7.0
319.22699	100.0
329.97400	4.9
336.05154	7.7
336.08701	45.2
336.26343	8.9
337.27502	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83555	1.0
53.03949	0.9
55.01866	1.8
57.03427	3.3
57.22103	1.1
61.02922	4.2
68.05038	1.5
69.03126	1.2
69.03443	11.6
70.06592	6.8
70.79996	0.9
71.04993	6.0
71.26174	1.5
71.84634	1.0
73.02922	3.5
79.05486	1.5
81.03425	3.6
81.05814	1.7
85.02432	1.5
85.02909	23.6
85.72421	1.0
87.04477	3.1
91.03948	1.8
94.06558	2.3
95.34830	0.9
96.08133	55.8
97.02911	8.1
99.04455	1.9
101.00835	1.2
102.05546	1.7
109.02863	2.6
114.09177	34.6
127.03948	5.9
128.10733	13.5
145.04976	2.8
152.24712	1.0
156.10213	44.2
157.03552	1.5
174.03358	1.2
174.11270	88.3
192.85397	1.0
276.14420	12.6
336.16537	100.0
337.09134	3.3
337.16873	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	336.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	1.0
57.03439	2.3
61.02920	3.2
68.05018	2.2
69.03434	10.4
70.06602	6.7
70.86449	1.1
71.05000	4.0
73.02926	2.5
79.05486	1.2
80.68166	0.5
81.03425	3.5
81.05790	2.2
85.02911	18.0
87.04468	3.4
91.03936	1.5
94.06560	2.9
96.08135	54.0
97.02891	6.8
97.08465	0.6
98.09680	1.9
99.04420	1.0
102.05540	1.8
109.02881	2.3
114.09174	36.7
114.45118	0.5
127.03938	4.4
128.10722	11.0
145.04977	1.7
156.10207	35.4
162.20026	0.6
168.70564	0.5
174.11267	63.5
175.11566	0.6
186.11182	0.9
240.12260	0.6
276.14447	14.9
336.16537	100.0
337.16864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.05266	1.1
50.45667	1.2
53.03938	4.8
55.01862	1.7
55.05513	28.1
57.03182	1.9
57.03440	22.3
57.07071	2.6
65.03931	4.0
67.05508	100.0
69.03421	1.5
69.07072	21.7
69.25067	7.5
69.25488	4.7
77.03913	1.4
79.05494	48.1
81.07060	88.2
83.04977	1.5
83.08630	8.0
91.05479	26.4
93.07049	50.6
95.04948	4.2
95.08611	66.4
97.06532	3.5
97.10170	3.6
105.07033	18.1
107.08606	24.4
109.06528	3.4
109.10158	25.4
109.10832	2.2
111.08059	1.6
117.07028	5.3
119.08581	11.8
121.10150	17.9
123.11707	10.1
131.08575	8.6
133.10139	9.8
134.47748	1.2
135.11702	13.0
137.09653	1.4
145.10124	7.5
147.11674	6.1
149.13268	8.2
159.11696	4.3
161.13280	4.9
163.14804	2.8
173.13269	3.5
177.16287	1.4
187.14812	1.6
243.21065	3.0
261.22168	8.4
335.25821	79.7
336.26187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01865	0.9
55.05531	0.6
57.03426	1.6
61.02940	3.6
69.03431	7.7
70.06586	1.8
70.94052	1.1
71.04968	1.3
72.08150	1.3
72.93779	0.7
73.02921	0.9
81.03435	4.6
85.01136	18.3
85.02429	1.3
85.02911	18.6
87.04464	2.3
91.03981	1.4
91.05484	0.8
96.08134	2.5
97.02903	7.6
99.04461	1.6
109.02874	1.3
111.39926	0.6
114.09175	1.5
124.87792	0.6
126.03748	43.7
127.03944	4.7
138.03746	5.2
145.04982	1.9
156.04788	61.3
156.08124	1.6
156.10214	2.3
159.11351	1.7
174.05858	100.0
174.11151	3.5
175.03767	0.7
187.10699	0.7
211.62944	0.7
234.98969	0.7
273.51328	0.6
275.13916	2.3
290.14047	1.3
336.10992	9.9
336.14407	1.1
336.17056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	2.1
55.01856	2.5
55.05299	1.8
55.05516	18.3
57.03441	19.6
57.07060	2.4
65.03932	3.6
67.05511	88.9
69.07073	14.0
69.29841	12.4
69.30261	4.6
71.04968	1.6
79.05495	37.5
79.50500	1.7
81.07062	79.3
83.08611	7.7
85.06586	1.9
91.05480	23.3
93.07043	41.6
95.04973	4.2
95.08611	58.6
97.06481	2.2
97.10146	3.5
105.07051	15.6
107.08598	27.2
109.10167	29.3
111.08078	2.7
117.07006	5.3
119.08591	12.1
119.60703	1.6
121.10149	21.4
123.08090	1.9
123.11695	9.8
131.08568	8.4
133.10133	10.3
135.11710	16.8
137.13252	4.8
139.11243	2.0
145.10159	9.1
147.11682	6.9
149.13252	11.6
152.05136	1.8
159.11693	6.3
161.13252	6.4
163.14798	5.2
163.49010	2.0
173.13280	4.5
173.41753	1.7
175.14845	2.4
187.14864	4.0
191.42546	2.1
199.70113	2.0
201.16452	1.9
214.26942	1.9
243.21132	5.8
261.22122	10.2
317.24979	3.4
335.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	3.3
55.01865	0.9
55.05267	1.1
55.05513	18.1
57.03437	23.8
57.07064	2.8
65.03928	3.2
67.05507	81.8
69.03393	1.4
69.06729	1.6
69.07074	18.7
70.18253	3.2
71.04993	1.9
71.08630	1.0
75.42633	0.8
79.05496	45.1
79.16978	0.9
81.07060	82.7
82.07375	0.9
83.05013	1.5
83.08624	9.6
85.06537	2.2
91.05482	21.6
93.07047	53.3
95.04967	4.3
95.08611	68.8
97.06535	3.0
97.10187	4.1
98.21446	0.9
105.07034	18.2
107.08601	28.1
109.06541	1.6
109.10160	27.9
111.08073	2.2
117.07030	5.9
119.08580	14.8
121.06496	0.8
121.10141	24.0
123.08082	1.4
123.11721	10.9
125.09595	1.2
129.06992	1.2
131.08565	12.5
133.10143	14.9
135.08043	1.2
135.11694	18.3
137.09592	1.7
137.13225	4.5
139.11169	1.4
143.08580	1.5
145.10138	9.9
147.11690	9.5
149.09550	1.4
149.13258	9.2
151.11174	1.0
151.14842	0.9
155.08516	1.9
157.10112	1.4
159.11711	8.5
161.09656	1.0
161.13264	8.4
163.11177	0.9
163.14865	4.3
169.10063	1.1
171.11710	1.6
173.13281	6.3
175.14828	3.4
177.12767	1.2
177.16371	2.0
179.14404	0.9
181.10193	0.9
184.66971	0.7
185.13174	1.3
187.14825	4.3
189.16454	0.8
191.14336	1.1
193.10118	0.9
201.16406	1.4
205.15857	1.2
239.38751	0.8
243.21037	8.0
261.22122	12.6
274.76535	0.8
279.09988	1.4
279.23416	1.2
288.26468	1.0
294.12491	2.0
299.20279	1.0
299.23715	1.3
317.21402	1.4
317.24823	5.3
335.16803	2.4
335.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43885	1.1
63.23350	1.0
64.88545	0.8
65.03936	4.7
67.05504	4.7
69.03441	1.2
69.07073	100.0
71.34328	1.4
78.77274	1.0
79.05491	2.0
80.05033	1.2
81.07066	6.3
83.04996	1.1
91.05480	10.4
92.05004	3.7
93.07032	1.7
94.06568	4.9
95.04959	2.3
97.06528	14.5
108.04498	1.9
109.02919	1.2
109.06566	1.3
119.03645	1.2
120.04491	1.0
120.98842	1.0
122.06026	6.9
124.07612	2.8
125.05994	1.1
127.07409	1.0
131.08546	1.7
134.05977	1.0
137.05983	3.6
138.05513	5.9
138.09067	1.1
138.10228	0.9
140.07077	6.5
144.08072	3.0
145.08882	2.3
145.10121	1.7
146.09668	3.7
148.03897	1.8
150.05511	74.2
153.72276	1.0
157.08887	2.3
158.09682	1.4
160.07594	1.5
160.11247	1.4
161.08369	3.1
162.09184	1.9
164.03522	1.5
165.04158	1.1
166.05006	30.3
168.06645	1.5
172.07593	2.2
172.11237	2.9
173.08339	1.3
174.09160	1.1
174.12805	6.7
176.03436	9.5
178.04926	1.7
185.08324	2.0
186.07578	1.5
190.08600	1.1
190.12254	3.8
194.04515	3.5
198.07722	1.2
200.10764	8.8
202.12323	8.2
204.10120	1.1
213.10248	1.5
215.08305	1.0
216.10246	4.6
218.08313	1.3
218.11768	28.7
228.10228	15.5
229.13367	1.8
232.36479	1.1
234.11195	4.7
244.09674	2.3
245.12852	2.2
246.11250	26.2
255.11229	1.3
256.10034	1.2
271.10776	2.9
272.09082	3.3
273.12427	3.2
274.10800	3.2
287.10266	6.2
289.11835	11.3
290.10336	2.4
299.10245	7.6
317.11340	27.2
335.08734	1.6
335.12433	20.2
335.22253	1.5
336.05032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.8
57.03432	1.7
63.73377	1.1
68.98283	1.1
69.03413	3.7
71.47245	1.5
72.08131	1.3
73.02893	1.3
81.03399	2.4
82.99864	4.2
85.02876	5.0
86.99287	1.1
96.08124	3.4
97.02878	3.3
98.97565	5.3
101.00888	27.7
101.70615	1.2
103.02508	1.5
108.08094	2.0
109.08480	1.8
113.00872	10.6
114.09195	1.9
115.02428	5.6
116.98676	1.3
119.01926	36.7
120.08102	4.6
127.02489	1.9
129.03958	2.6
131.01912	24.7
131.05539	7.8
133.03456	4.3
136.51877	1.6
137.00822	2.2
137.02950	2.2
137.05980	2.5
138.01607	1.3
143.01904	100.0
144.01988	2.2
145.03474	7.2
147.01453	1.5
147.05049	2.7
149.02866	1.4
149.06631	10.6
155.01904	30.4
155.05518	5.3
155.08926	1.7
156.02711	2.4
156.10201	1.5
157.03464	4.4
158.99739	1.3
159.05029	3.8
161.02972	96.8
167.05602	2.4
169.07191	1.5
171.05081	2.3
173.02985	20.8
173.06612	32.7
174.11290	3.4
175.04536	2.1
177.06078	5.2
181.92381	1.2
184.04529	3.0
185.02957	3.2
185.06612	32.9
187.08138	5.2
191.07668	7.7
191.42787	1.2
197.06569	2.8
199.08220	1.5
201.06149	1.6
203.04037	12.1
203.05925	1.8
203.07671	14.8
209.06505	1.9
215.07675	16.5
217.07156	1.6
217.09184	2.8
219.07111	1.5
221.05093	20.7
227.07568	2.6
227.64439	1.2
233.08653	2.9
237.02914	1.8
237.11844	1.2
245.05185	2.7
257.08731	5.5
259.61588	1.3
275.09781	40.9
293.10828	96.5
294.11029	2.7
309.08359	1.5
327.83487	1.2
335.11877	49.5
336.12350	2.0
336.16428	7.4
358.19760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01879	0.4
55.05266	0.3
55.05518	4.1
57.99636	0.2
60.04533	0.4
62.20778	0.2
63.49289	0.3
65.03948	1.2
67.05502	1.2
69.03422	1.1
69.07060	0.9
69.29788	0.2
71.04999	0.4
71.54707	0.2
71.55105	0.3
79.05491	1.1
81.07072	1.8
83.04988	21.6
83.08617	0.4
85.02915	0.5
91.05487	13.4
93.07040	1.4
95.04955	1.0
95.08609	1.6
105.07050	1.8
107.04980	0.5
107.08569	1.2
109.06536	0.3
109.10146	0.6
111.04453	14.6
111.08159	0.3
114.88054	0.2
117.07030	1.0
119.04952	29.5
119.08595	1.7
121.06556	0.3
121.10159	1.2
123.11692	0.3
129.05466	0.8
129.06984	0.6
131.08582	1.4
133.06473	0.3
133.10089	1.2
135.08073	0.8
135.11681	0.3
143.08571	0.9
145.06517	0.5
145.10146	1.3
147.04419	100.0
147.11719	0.7
148.04768	0.9
149.09630	0.4
151.11195	0.3
153.05473	0.6
155.08578	0.8
157.10144	0.9
159.07976	0.3
159.11778	1.2
161.09621	0.3
165.05502	0.5
165.06941	0.4
167.08502	0.3
168.09491	0.3
169.05009	0.5
169.10121	0.5
171.06558	0.9
171.07935	0.3
171.11667	0.5
173.06021	0.5
173.09639	0.5
173.13272	0.5
175.11166	0.8
179.08612	0.3
181.10129	0.6
183.11668	0.8
185.09691	0.6
193.10199	0.5
195.11731	0.6
197.13208	0.3
207.11787	0.4
209.13240	0.6
213.09193	0.4
221.13290	0.4
223.14888	0.3
225.16431	0.4
235.14853	0.5
243.17433	0.3
247.14810	0.3
249.16380	0.7
253.15807	0.6
257.08145	0.7
271.16992	0.6
299.16385	0.5
317.22324	0.6
335.11035	0.8
335.16357	0.9
335.23587	3.1
336.08618	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05515	3.1
63.02401	0.2
65.03934	1.0
65.13461	0.2
67.05508	1.7
68.04432	0.2
69.03075	0.4
69.03432	5.6
69.07061	1.1
71.01334	0.3
71.04984	0.4
71.57243	0.3
74.85558	0.2
79.05500	1.2
81.07060	2.2
83.04984	9.9
83.08604	0.4
85.02901	0.3
85.06542	0.3
87.00838	0.5
91.05483	11.9
93.07053	2.1
95.04977	1.0
95.08610	2.8
97.02921	0.4
97.06535	0.7
97.10162	0.3
105.07044	1.9
107.04933	0.3
107.08601	2.4
109.06533	1.0
109.10162	1.4
111.04445	22.9
111.08081	0.5
117.07003	0.6
119.04946	26.2
119.08603	2.4
121.06548	0.5
121.10141	1.8
123.08067	1.0
123.11700	1.0
125.09631	0.4
129.05482	1.5
129.06998	0.4
131.08580	1.2
133.10127	1.8
135.08057	2.8
135.11714	0.9
137.06004	0.3
137.09624	0.9
142.07802	0.4
143.08551	0.6
145.10115	1.8
147.04413	100.0
147.11670	1.0
148.04752	1.1
149.09581	0.6
149.13329	0.4
151.11217	0.5
153.05466	8.8
155.08574	0.4
157.10118	0.9
159.08112	0.4
159.11681	1.2
161.09650	0.5
161.13260	0.6
163.07539	0.4
163.11163	0.7
165.05508	2.0
169.10106	0.5
171.06546	0.4
171.08044	0.3
171.11726	0.7
173.09666	0.6
173.13260	1.0
175.11232	0.5
177.09099	0.3
177.12799	0.3
183.11714	0.6
185.09688	0.4
185.13336	0.4
187.11201	0.6
187.14828	0.9
189.12816	0.4
189.16283	0.3
197.09511	0.3
197.13252	0.6
199.14929	0.4
201.12794	0.7
203.14404	0.4
205.15839	0.5
211.14862	0.4
213.12737	0.4
215.14299	0.7
217.12305	0.3
225.16388	0.2
227.18005	0.3
229.12302	0.5
229.15880	0.3
229.19629	0.4
233.08025	0.3
239.18063	0.5
243.13733	0.3
243.21074	0.4
253.19357	0.4
257.19070	0.7
271.17242	0.4
271.20529	3.2
281.19064	0.8
289.18439	0.3
289.21585	4.9
289.91666	0.3
299.16745	0.4
299.20023	2.2
317.17770	0.5
317.21121	8.8
335.11273	4.0
335.22412	1.0
336.08597	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01873	1.7
56.56337	0.7
57.03435	2.3
61.02922	2.5
69.03439	6.5
70.83812	2.3
73.02918	1.8
81.03418	3.6
81.07063	1.0
85.02914	31.6
87.04494	0.9
91.03939	0.9
91.05492	11.6
97.02908	8.1
97.63483	0.9
99.04481	1.5
109.02879	3.1
109.06539	0.8
110.06039	2.2
115.05473	0.9
119.04957	7.3
127.03949	4.7
130.06503	0.9
131.58203	0.8
137.05992	100.0
138.06358	1.3
145.04968	8.4
151.07547	1.6
154.03258	1.4
154.08646	1.1
155.07039	7.3
165.05568	1.4
167.07024	1.3
172.04330	1.1
172.09669	1.6
179.07076	3.1
180.08687	3.2
203.07007	1.6
234.98969	1.0
245.07878	0.8
261.94717	1.1
263.09418	1.2
334.12622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2637
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
54.60204	5.9
55.05517	29.4
57.03415	6.2
65.03955	7.7
67.05507	76.2
68.43041	5.7
69.03429	14.2
69.07063	28.3
70.16348	10.1
70.16712	25.4
71.04968	9.1
78.32375	5.1
79.05489	40.1
81.03418	7.2
81.07066	95.9
83.04979	19.6
83.08620	15.3
85.06535	8.3
85.12027	6.2
89.37987	5.8
91.05492	40.6
93.07055	46.0
95.04982	21.7
95.08616	87.3
97.06521	12.0
97.10189	6.9
98.98470	36.8
104.40398	6.0
105.07032	47.4
107.04977	17.2
107.08578	27.4
109.06530	14.6
109.10152	51.6
111.04471	10.9
115.05447	9.3
117.07024	12.5
119.04951	11.2
119.08566	37.4
121.06531	39.9
121.10170	34.6
122.03586	7.4
123.04519	10.1
123.11752	22.4
127.03948	8.6
129.07031	9.0
131.08562	22.4
133.06493	7.4
133.10129	33.2
135.08080	18.5
135.11710	18.8
137.05986	99.4
137.09601	8.4
137.13252	16.8
143.08569	13.6
145.10149	18.1
146.07214	7.5
147.04434	11.2
147.11720	19.2
149.09645	16.1
151.03874	8.5
153.05498	20.0
153.06950	12.4
155.08569	9.4
157.10155	13.4
159.08070	9.1
159.11739	19.9
160.92763	6.4
161.05934	7.4
161.09639	19.3
161.13280	14.9
163.14825	7.8
165.05547	12.6
165.06998	14.3
167.07042	100.0
167.08401	7.7
168.05746	6.5
169.06552	8.5
171.11658	11.2
173.09604	8.8
173.13339	8.1
175.11203	13.5
175.14876	9.8
181.06531	28.0
181.08652	24.1
183.04382	5.9
183.08057	8.4
185.13304	15.1
187.07497	6.8
187.14818	9.7
189.12790	6.7
191.14413	6.1
193.08649	15.8
195.08092	11.1
195.11757	8.3
197.05946	12.9
197.13188	9.0
198.06732	13.7
199.07614	12.0
199.14714	7.8
201.12840	8.4
203.14401	13.8
213.09120	23.2
215.06998	9.5
225.05698	7.3
226.06319	10.1
227.07007	7.8
241.08739	18.6
241.19818	7.9
243.06645	7.5
243.21077	7.1
250.16681	5.6
261.22131	27.3
261.94299	6.7
269.08060	8.2
269.18939	13.3
273.11230	29.5
279.23209	71.5
285.18359	12.8
287.20038	13.9
288.10022	47.1
301.10843	59.1
302.11414	10.4
303.12225	11.8
315.19553	25.3
318.10995	10.8
333.13376	38.8
333.20551	33.2
355.74634	6.5
356.75272	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36980	2.1
53.03926	4.2
55.01862	2.6
55.05502	4.1
56.72923	2.6
57.03434	6.5
57.07073	13.6
58.01632	2.0
59.05003	8.6
60.77489	2.3
61.02922	7.3
67.05498	9.9
69.03428	23.6
69.07061	8.9
71.04991	4.5
79.05487	2.6
81.03403	6.3
81.07055	6.8
83.08623	3.7
83.41199	2.1
85.02908	52.9
85.06555	12.4
87.04488	2.7
91.05471	3.8
93.07040	8.1
95.04971	3.5
95.08100	1.9
95.08609	48.9
97.02901	20.0
97.06550	4.7
98.98470	15.4
99.04458	2.4
99.08091	12.9
107.08605	9.8
109.02877	8.0
109.06515	6.3
109.10143	15.1
111.08076	6.6
113.09644	51.0
115.05506	5.6
116.05830	5.4
119.05013	3.9
119.08567	4.2
123.04470	4.3
127.03923	13.9
127.11198	25.0
135.11684	13.3
137.05983	22.9
137.13280	4.1
138.06337	22.1
139.03937	7.9
139.06505	17.9
140.06805	8.9
143.04933	6.8
144.05267	15.6
145.04831	13.5
146.05762	4.5
151.07539	3.2
153.05507	3.7
153.12762	59.0
155.14301	6.7
165.05496	7.8
167.07050	5.2
169.04918	2.5
171.13806	30.9
173.12738	3.4
175.07643	3.1
176.07883	7.4
177.07997	9.0
177.12756	2.8
178.08243	9.2
179.08435	7.0
179.10585	2.7
180.08759	4.1
181.04985	5.6
192.10197	25.2
193.10577	55.7
194.10797	53.2
195.11038	37.8
202.93794	2.6
249.61148	2.5
270.10919	4.1
297.18564	3.1
302.13705	9.4
333.17862	100.0
337.08893	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	333.2062
Annotation	5S,6S-epoxy-18R-HEPE
Peak:m/z	Relative Intensity
55.05505	8.9
57.07063	3.4
64.26634	3.2
66.65294	2.9
67.05497	10.4
69.03438	20.1
69.07080	22.6
71.04967	3.5
71.37550	6.8
79.05505	16.9
81.03392	4.2
81.07069	21.4
83.04985	5.9
83.08635	7.8
85.02891	3.7
87.75497	2.6
91.05500	20.6
93.07059	19.9
95.04992	5.5
95.08614	12.1
97.06542	12.6
97.10178	3.1
98.98475	19.9
99.04476	3.4
99.08041	3.5
105.07047	25.7
107.04984	5.4
107.08611	32.5
109.06512	33.8
109.10144	7.4
113.06005	3.3
115.05492	3.4
117.07018	11.2
119.08591	39.9
120.08094	8.0
121.06504	13.9
121.10154	30.2
123.04430	9.1
123.08052	9.1
123.11689	3.6
125.05965	11.3
127.07561	5.3
129.06982	5.0
131.07709	3.5
131.08566	21.1
133.06522	7.9
133.10161	19.4
135.08034	9.6
135.11697	14.3
137.05997	25.0
137.09593	3.8
137.13300	4.2
139.03902	10.2
141.07018	3.5
142.07750	3.3
143.07005	6.1
143.08582	16.0
144.09274	4.5
144.70752	3.8
145.10181	17.6
147.08118	16.2
147.11699	55.8
149.09596	13.6
149.13200	7.8
151.07556	19.8
153.05496	5.3
153.12790	5.0
155.08508	4.9
156.09344	5.7
157.10146	23.0
158.10918	6.9
159.08061	14.2
159.11714	39.2
161.06006	5.7
161.09651	8.6
161.13254	8.9
163.03894	3.4
163.07578	3.9
163.11044	4.7
165.05476	8.5
165.06927	6.6
165.09105	7.3
167.07106	21.7
167.08369	5.0
169.10149	6.8
170.10857	5.2
171.08028	7.3
171.11734	20.3
173.09610	12.2
173.13292	19.6
175.07526	7.6
175.11180	11.3
177.09103	5.7
179.07004	3.7
181.06406	5.5
181.08589	13.4
181.10072	6.3
183.08160	5.1
183.11685	7.8
185.09642	12.0
185.13237	11.6
186.10379	3.7
187.11154	9.9
187.14868	7.2
189.09128	3.9
189.12782	46.4
191.14302	12.3
193.08687	15.5
193.10121	3.6
194.10883	6.1
195.11711	12.6
196.12531	5.3
197.13309	7.9
198.06747	3.6
199.11176	16.0
199.14818	13.6
201.12805	22.2
203.10674	4.5
205.12206	7.5
207.13800	45.8
209.13266	20.2
209.15182	6.3
211.11220	3.4
211.14886	5.0
213.12752	28.8
213.16321	4.4
214.13492	3.7
215.10699	5.1
215.14256	6.4
217.12204	8.4
219.13828	25.9
221.13269	3.8
223.14842	6.7
225.12813	5.5
227.10857	3.9
227.14284	12.5
227.17943	8.4
231.13515	3.7
231.17409	4.2
235.13297	9.7
236.15784	4.0
237.12828	7.4
237.16399	9.5
239.14311	4.1
241.08528	4.2
241.12315	5.9
241.15892	33.6
241.19585	3.9
242.05905	3.3
251.17915	13.5
255.13858	7.2
255.17461	52.5
256.18134	14.6
269.08008	4.3
269.19070	19.3
273.11221	5.0
273.18558	28.3
279.17511	22.1
286.81323	3.2
287.20044	16.3
297.18512	57.1
301.10715	17.2
315.19586	100.0
318.11081	4.6
333.12982	9.5
333.16907	5.0
333.20630	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1181
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	2.3
55.01879	3.4
55.05510	2.7
57.03422	3.4
60.04533	2.0
61.02924	3.7
65.03931	9.2
68.99800	3.5
69.03435	17.2
69.58804	1.9
70.06614	2.8
71.57303	2.0
73.02905	2.3
81.03425	9.0
81.07053	2.1
82.06580	3.7
83.04988	10.6
84.04523	3.2
84.08134	5.3
85.02908	44.0
86.09718	6.7
91.03941	2.7
91.05529	2.5
93.03399	5.6
95.04980	2.4
97.02905	12.2
98.98464	35.9
98.99046	3.2
99.04437	3.3
99.19814	1.9
107.04967	2.1
108.08114	6.4
109.02879	6.7
109.06507	17.3
109.07044	1.5
109.08467	3.8
111.04445	49.1
121.04036	3.1
123.04442	4.1
123.05572	6.8
124.07599	2.1
127.03934	10.0
130.06601	2.2
132.08171	3.1
136.06204	6.8
137.05992	3.0
139.03905	100.0
145.04947	4.7
152.07062	3.0
153.07547	3.1
154.08649	3.3
156.04196	3.0
159.09207	3.7
163.03973	2.7
165.05513	4.2
167.07117	3.5
169.04956	4.1
170.06010	2.0
170.08167	2.4
171.06534	88.7
172.09685	15.1
176.98918	2.0
178.59253	2.4
183.06392	2.4
234.99062	2.5
276.16223	1.8
315.12830	4.1
333.10764	3.5
333.14413	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	332.1344
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.87512	0.4
52.72826	0.5
53.03944	0.8
57.03444	1.0
59.04991	0.4
61.02926	1.8
63.96171	0.4
65.03947	0.7
67.05521	2.6
68.12207	0.4
69.03439	5.8
70.00417	1.5
71.04990	0.7
73.02924	1.7
77.85710	0.5
79.05482	1.0
81.03427	1.8
81.07069	1.0
85.02921	5.5
87.04482	1.1
91.03979	0.6
92.04984	0.5
93.05796	0.9
96.08115	0.5
97.02905	2.8
99.04445	1.0
106.06557	4.4
108.08128	100.0
109.02906	1.1
109.08487	0.6
123.06831	3.7
124.07602	13.3
127.03915	1.5
134.06024	10.2
136.07591	14.8
152.07083	72.8
154.08667	2.2
170.08139	9.1
193.79909	0.5
273.02332	0.6
314.12357	40.4
315.12598	0.6
332.13425	52.4
333.13742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47618	1.8
52.81677	1.6
53.15913	1.5
55.05510	11.9
57.03434	6.5
57.07080	100.0
57.80821	1.7
61.35041	1.5
67.05511	26.9
69.07072	17.7
70.06589	6.0
71.08638	64.8
75.04465	2.7
81.07062	34.2
83.08625	23.7
85.06550	2.9
85.10193	35.7
88.07642	7.5
89.06029	2.6
91.50266	1.8
93.07046	3.9
95.08611	53.6
97.10163	12.5
98.98473	61.6
99.11721	3.9
102.09202	1.9
102.44986	1.9
106.08620	2.6
106.33926	1.6
107.08545	2.9
109.10153	26.7
109.12565	1.9
111.11761	3.3
119.08569	2.5
123.11708	10.6
125.13251	3.5
137.05974	6.2
137.13226	4.3
138.06303	5.1
145.10146	1.8
149.13239	2.2
152.07965	1.7
176.98959	5.3
177.07828	2.4
192.10199	9.4
193.10568	11.5
221.22643	2.4
229.09624	2.4
239.23686	19.6
257.24692	5.0
264.80054	1.7
313.27399	55.1
313.32941	3.8
331.17221	9.2
331.33966	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01881	0.5
57.03440	1.9
61.02922	2.0
63.03139	0.6
63.31522	0.5
65.03924	1.1
67.05499	2.6
69.03437	7.5
70.23685	2.1
70.26575	0.5
71.04992	0.8
72.08177	0.6
73.02913	2.5
79.05508	1.0
81.03432	2.6
81.07071	1.3
85.02916	7.9
87.04483	1.6
92.05011	0.7
93.05799	1.5
96.08125	1.1
96.24683	0.5
97.02905	4.0
98.21354	0.7
99.04433	0.8
100.56847	0.7
103.48181	0.6
106.06570	4.7
108.08125	100.0
109.02914	1.4
109.08436	0.9
112.44148	0.6
123.06824	4.5
124.07601	15.4
126.19948	0.7
127.03930	1.7
134.06029	12.5
136.07581	12.8
152.07077	75.5
154.08646	1.9
161.05566	1.2
170.08147	10.4
170.56181	0.6
176.52145	0.7
211.07957	0.6
222.24236	0.6
224.69312	0.5
236.82639	0.7
267.35468	0.7
314.12335	39.0
315.13110	0.7
321.10422	1.9
332.13452	45.6
333.14078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05517	12.9
57.03425	5.3
57.07082	100.0
61.05245	1.9
67.05516	25.9
69.07083	18.8
69.41358	1.7
69.98263	6.1
69.98676	4.3
71.08637	64.6
75.04460	2.9
79.05509	3.0
81.07067	38.3
83.08620	25.3
85.10189	43.2
95.08617	56.7
97.10175	14.2
98.98483	21.3
99.11726	3.8
109.10166	27.4
111.11715	5.7
123.11754	11.5
125.13284	3.6
137.05956	3.7
137.13261	6.3
138.06348	3.0
139.14758	2.1
188.26671	1.9
192.10158	3.1
193.10591	5.3
221.22566	3.7
229.67145	2.0
239.23767	18.3
257.24796	6.8
280.62308	1.9
287.12741	2.5
313.27390	63.4
331.18591	6.5
331.34146	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	331.2845
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05515	12.6
55.95714	1.4
56.21409	1.4
57.03431	7.1
57.07080	100.0
67.05508	26.9
67.40979	1.8
68.84163	1.8
69.07076	20.3
69.81570	9.2
71.08637	66.1
75.04481	3.2
79.05492	4.0
81.07063	37.9
83.08627	25.0
85.06527	1.8
85.10194	39.3
91.05489	3.0
93.07051	3.8
95.08613	61.6
97.10182	14.8
98.21537	1.6
98.98478	56.1
99.11721	4.3
107.08630	1.9
109.10170	25.8
111.11761	5.1
113.13328	2.2
119.08579	2.6
121.10123	2.1
121.54432	1.8
123.11723	13.5
125.13281	2.1
133.10098	2.5
137.05980	9.0
137.13242	5.4
138.06308	5.0
139.14821	2.2
143.04927	4.5
144.05338	1.9
145.10078	1.9
151.14818	2.8
174.99248	2.2
175.07494	2.4
176.07881	2.5
176.98882	3.8
192.10181	13.5
193.10567	20.4
194.02559	1.6
210.97940	1.8
224.31270	1.8
239.23711	17.6
257.24820	7.5
285.18433	2.0
313.27396	60.1
314.27899	2.0
331.17139	15.3
331.34079	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36377	0.8
52.04281	0.7
53.03959	0.9
55.01881	2.5
55.05515	2.8
55.43721	0.7
57.07069	1.2
65.03945	1.8
65.08128	0.8
67.05512	4.9
68.99811	1.0
69.03439	10.8
69.07078	3.3
71.56512	0.9
75.04449	0.9
79.05499	5.1
81.03465	1.7
81.07057	6.3
82.21478	0.8
83.04997	1.9
83.08633	1.4
85.02904	1.0
85.06551	1.2
91.05491	10.3
93.07070	8.5
95.04966	3.9
95.08609	4.6
97.06562	1.3
98.98478	60.1
100.98880	1.4
103.05510	2.2
105.07047	7.6
107.04988	3.5
107.08617	6.9
109.02906	1.7
109.06547	2.5
109.10184	3.0
111.04420	1.1
111.08109	1.5
115.05495	3.1
116.99522	1.6
117.07050	2.9
119.04963	3.0
119.08569	4.9
121.06525	6.2
121.10120	5.2
123.04462	4.2
123.08117	1.9
123.11736	2.2
125.06128	1.2
125.09643	0.9
126.90071	0.8
127.03951	1.0
128.06242	1.6
129.07007	4.7
131.04955	1.8
131.08617	3.2
133.10153	5.3
135.04448	0.9
135.08104	3.7
135.11684	4.0
137.06001	13.0
137.09651	1.4
138.06337	5.3
139.03958	3.0
141.05511	1.2
141.07066	2.4
142.07845	2.2
143.04955	2.8
143.08563	4.7
144.05389	3.0
144.09314	0.9
145.06537	2.0
145.10158	4.7
147.04416	1.6
147.08055	2.0
147.11717	1.8
149.05994	4.1
149.09636	1.9
149.13284	2.0
151.03926	8.5
151.07555	7.3
151.69206	0.9
152.06197	5.7
153.05583	2.3
153.07048	7.7
154.07695	1.7
155.04947	1.2
155.08545	5.7
156.09338	1.0
157.06531	5.8
157.10143	7.3
159.08118	1.2
159.11671	4.3
159.99684	0.8
160.08617	0.9
161.06010	2.5
161.09656	1.5
161.13307	1.2
163.04074	1.2
163.07570	4.0
165.05545	34.0
165.07062	12.5
165.09172	1.4
166.07748	1.1
167.03500	0.9
167.04918	1.5
167.07103	6.5
167.08615	3.4
168.05669	4.7
169.06557	4.0
169.10161	3.7
170.07347	1.9
170.10974	1.3
171.08089	2.3
171.11653	6.7
173.09724	3.0
173.13261	4.0
174.99219	1.7
175.07574	5.3
175.11208	1.9
175.14900	2.0
176.07954	2.1
176.99005	3.0
177.05533	4.7
177.06862	1.0
178.08125	2.5
179.05048	0.9
179.07085	5.9
179.08562	1.8
180.05695	2.1
180.09387	1.1
181.06499	11.7
181.10150	1.8
182.07310	4.1
183.04436	1.1
183.08058	8.1
183.11673	4.9
184.05215	1.4
184.12598	1.2
185.06018	6.5
185.09691	2.2
185.13298	8.6
187.07568	1.2
187.11284	2.9
187.14917	1.3
189.05534	2.7
189.09181	2.5
191.07062	11.9
191.08592	1.3
192.10219	12.1
192.11688	1.0
193.06590	2.2
193.08676	7.9
193.10612	18.4
194.07257	1.7
195.04417	1.2
195.08000	4.0
195.11833	2.2
196.05205	5.7
196.08577	1.2
197.06010	6.1
197.09697	2.6
197.13324	4.3
198.06728	4.4
199.07625	3.6
199.11336	2.8
199.14940	3.1
200.08334	1.8
201.12906	1.0
203.14354	1.2
204.85788	0.9
205.08655	1.6
205.12300	1.6
207.04424	1.2
207.10173	1.2
208.05380	1.4
208.08472	0.9
208.12463	1.2
209.06065	3.7
209.13380	3.5
210.06841	3.7
210.10318	1.0
210.14111	0.8
211.07549	11.4
211.09103	0.9
211.11314	1.6
211.14862	1.9
212.04788	1.8
212.08289	5.0
213.05493	8.0
213.09181	2.2
213.12706	6.9
213.16367	2.0
214.06367	3.7
214.13631	2.4
215.07114	1.4
215.10625	1.1
217.08687	1.5
217.12395	0.9
219.10280	2.1
221.06023	1.3
223.07660	2.9
223.14951	3.3
224.04816	1.3
224.08382	1.8
225.05551	3.7
225.09163	4.2
225.12880	1.7
225.16443	1.7
226.06293	3.2
226.13611	1.2
227.07059	5.5
227.10805	1.7
227.14304	6.0
227.18069	1.1
228.07855	5.1
229.08665	1.2
229.15968	1.0
230.05759	4.4
233.11737	7.9
237.05579	2.2
237.16505	1.7
238.06355	5.4
239.07025	5.3
239.14445	2.2
239.17929	1.5
240.07745	1.0
240.15186	1.1
241.05037	3.4
241.08665	2.3
241.15903	14.7
242.05743	1.3
242.16754	3.2
243.06676	2.5
243.10066	3.9
245.08197	2.6
245.15495	3.3
251.07178	1.7
253.05009	1.5
253.08472	3.9
253.16002	3.6
254.05930	1.1
255.06627	3.1
255.10362	1.9
255.13884	2.0
255.17500	4.4
256.07419	4.8
257.08240	2.9
257.11783	2.0
267.06787	1.4
267.17578	2.3
269.08267	1.0
270.08740	1.2
271.07016	1.4
271.09589	5.3
271.13928	0.9
271.17038	1.8
272.10370	1.6
273.07663	3.2
273.14902	12.1
281.08090	2.1
283.06107	1.2
283.16998	8.6
285.07843	1.4
285.18610	1.9
287.12857	1.8
288.07550	1.2
288.10284	2.0
295.17047	2.0
299.06262	1.0
299.09039	4.4
300.13217	2.0
301.18027	34.0
302.11688	1.4
302.18686	1.2
303.12488	1.1
313.08237	1.8
313.18030	12.1
316.06824	0.9
316.09442	2.9
331.11908	100.0
331.19379	23.4
332.12262	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01872	2.3
65.03938	2.2
67.05505	2.7
69.03432	3.3
69.07084	2.4
71.56351	2.5
79.05492	4.8
81.03433	1.7
81.07066	4.9
83.04986	1.8
91.05495	30.9
93.07072	4.4
94.04183	3.1
95.04974	6.3
95.08611	2.3
98.98478	89.0
100.98933	2.8
103.05490	5.6
105.07027	7.8
107.04975	6.8
107.08616	4.5
109.06543	5.8
115.05477	5.2
117.07014	2.0
118.59010	1.5
119.04967	14.2
119.08607	3.8
121.06499	8.8
122.03664	6.9
123.04433	1.6
123.11715	2.4
128.06216	5.4
129.07005	9.2
130.04102	1.8
131.04967	5.8
131.08617	2.8
133.06494	2.5
134.03676	2.5
135.08052	5.8
135.11684	1.6
136.05251	3.2
137.05994	75.4
138.06351	7.1
139.03920	2.4
141.07027	3.3
143.04924	5.5
143.08588	1.9
144.05412	5.0
145.06493	5.1
147.08022	2.1
149.05978	14.0
151.03938	5.1
151.07562	82.0
152.06197	8.9
153.05591	2.7
153.07021	11.2
155.04962	1.8
155.08492	3.5
157.06508	15.3
158.07274	2.0
161.06006	11.1
163.07552	15.4
165.05519	5.2
165.07034	20.1
165.09193	4.5
166.07707	2.6
167.07068	4.8
167.08607	15.4
168.05748	6.2
169.06546	5.0
170.07249	2.2
171.08099	4.5
174.06783	5.1
174.99191	3.6
175.07594	8.7
176.08009	2.8
176.98999	5.7
177.05508	2.5
177.09142	2.8
178.07997	6.6
179.07082	2.9
179.08571	3.1
180.05699	2.9
181.06480	16.9
181.10185	2.5
182.07272	6.2
183.08060	9.3
184.05283	2.1
185.06023	4.4
185.09615	2.4
189.09142	26.6
191.07011	1.9
192.10258	15.0
193.06572	7.0
193.10495	25.9
194.07289	3.2
195.08087	22.8
196.05267	3.5
196.08789	2.9
197.06032	10.6
197.09689	3.0
198.06802	4.6
199.07550	4.9
200.08339	2.5
202.07967	1.6
203.08575	2.3
207.04538	1.7
207.08139	2.1
207.09961	3.0
209.05956	6.8
209.09697	4.5
210.06804	14.8
211.07607	16.0
212.04752	2.9
212.08376	6.2
213.05403	8.5
213.09097	2.6
214.06380	3.2
215.07048	2.2
219.08156	2.1
221.06007	8.9
221.09566	9.5
223.07533	11.8
224.04759	2.5
224.08209	3.2
225.05670	3.4
225.09074	10.7
226.06262	3.4
227.07118	7.0
227.10652	23.6
228.07822	4.0
230.05763	3.4
237.05455	4.1
237.09169	3.2
238.06253	8.9
239.07027	7.4
240.07840	4.2
241.05080	3.8
241.08618	2.6
243.10358	4.4
245.08063	2.1
249.09186	4.7
253.08661	15.2
253.12219	13.8
255.06514	5.4
255.10173	29.0
256.07358	7.1
257.08163	3.2
267.10315	4.3
269.07980	2.6
270.08740	2.9
271.09750	5.6
272.10428	4.1
273.07648	3.9
281.08258	3.1
281.11765	3.8
285.08362	2.9
285.11240	16.0
287.12790	29.8
287.15802	2.2
288.09909	2.0
288.56299	1.7
299.09219	3.6
300.13202	3.5
313.14334	8.0
313.17822	3.5
316.09222	3.8
331.11829	100.0
331.17450	15.3
332.12305	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20344	2.3
63.56401	3.1
65.01013	2.6
70.75454	4.5
70.75820	4.9
76.55835	2.4
79.05508	3.0
91.05490	37.2
94.04212	4.9
95.04971	6.7
97.93066	2.3
98.98472	29.5
103.05495	5.4
105.07032	5.3
107.04964	6.7
109.06558	6.1
110.97774	2.6
115.05434	4.6
117.06989	3.9
119.04958	20.2
121.06500	5.8
122.03651	8.9
123.04395	3.9
128.06259	6.1
129.07016	20.7
131.04918	6.3
135.08038	6.1
136.05177	3.5
137.05988	90.7
138.06232	2.8
143.01132	2.7
143.04895	3.8
144.05275	2.9
145.06476	6.1
149.05995	11.1
151.04004	3.5
151.07553	100.0
152.06207	6.8
153.07059	3.4
157.02571	2.3
157.06490	15.0
160.05109	3.1
161.05975	16.9
161.09656	3.9
163.07544	21.1
165.06975	17.4
165.09146	6.3
167.07182	4.3
167.08580	17.3
169.06523	2.9
174.06842	7.0
175.07556	10.4
176.98866	3.5
178.07851	9.9
181.06401	5.1
182.07240	5.9
183.08110	3.5
189.09137	39.3
191.08543	3.8
192.10269	8.3
193.06537	8.6
193.10442	16.4
194.07306	4.9
195.08070	31.6
195.40346	2.4
197.06015	7.5
198.06714	2.3
203.08510	3.2
207.08208	2.9
207.10211	4.7
209.05992	5.0
209.09671	5.1
210.06766	10.5
211.07635	4.4
212.08392	5.3
221.05968	11.5
221.09601	12.2
223.07520	12.3
224.08357	7.7
225.09122	10.0
227.07101	3.0
227.10689	29.1
237.09167	5.3
238.06288	8.5
240.07831	4.9
249.09174	6.2
253.08627	15.7
253.12303	16.4
255.10190	30.5
267.10245	5.9
269.08081	6.7
269.11523	3.4
272.10495	5.0
281.11792	7.5
285.11307	18.6
287.12820	44.2
301.14264	2.6
313.08334	7.1
313.14319	15.7
331.11951	28.3
331.15460	3.2
331.17535	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57474	2.0
57.37819	1.8
58.44911	1.5
65.03941	2.5
79.05513	2.0
81.03435	1.9
81.07043	2.3
91.05491	35.8
94.04204	3.2
95.04984	7.5
96.40743	1.7
98.98470	17.6
103.05495	3.6
105.07043	5.2
107.04958	5.9
109.06554	2.4
115.05490	6.0
117.07053	2.0
119.04944	16.7
121.06541	5.5
122.03656	9.9
128.06201	4.4
129.07011	14.1
131.04956	4.6
131.08591	2.1
133.06503	2.4
135.08095	6.0
136.05231	4.6
137.05988	100.0
137.68944	1.6
138.06326	23.1
143.04950	15.2
144.05264	13.2
145.06528	4.8
146.03702	2.6
147.04436	2.6
149.06013	14.6
151.03978	3.1
151.07555	85.9
152.06239	5.0
152.07918	2.6
157.06509	9.8
161.06001	14.4
161.09634	3.3
163.07545	18.9
165.06998	12.7
165.09236	4.5
166.07788	2.5
167.07196	3.4
167.08531	13.5
169.06500	3.1
174.06859	5.0
175.07512	12.6
176.07942	13.8
177.07878	5.3
177.09221	3.1
178.08087	13.3
179.08528	2.9
180.08739	2.0
181.06557	5.9
182.07358	3.4
187.07692	2.0
189.09109	30.9
191.08743	2.9
192.10239	58.6
192.11937	3.5
193.06570	7.0
193.10548	82.1
194.07304	3.7
195.08095	26.5
195.09793	2.5
196.08662	4.1
197.06058	5.5
202.07719	2.6
205.06503	2.1
206.07436	2.2
207.08170	3.2
207.10312	4.7
208.08337	3.8
209.09642	4.5
210.06802	9.0
210.16483	1.8
211.07616	3.3
212.08334	5.1
221.06035	10.1
221.09494	9.6
223.07526	12.9
224.08388	6.5
225.05563	2.9
225.09097	12.7
227.07169	3.9
227.10677	29.3
234.06653	2.0
236.08202	2.1
237.09126	3.4
238.06242	6.0
238.09813	2.0
241.08569	2.6
241.12352	2.2
249.09297	6.1
253.08592	11.0
253.12296	13.2
255.10164	29.5
256.10611	2.5
267.10220	5.7
268.10324	3.0
269.08228	3.0
269.11627	3.0
270.08777	2.7
272.10477	2.7
281.11795	4.3
283.11917	2.2
284.10516	2.0
285.11230	17.7
287.12851	38.9
300.13135	8.7
313.14453	9.1
314.13593	4.0
331.11914	2.7
331.13025	3.3
331.17426	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01864	1.0
55.05507	7.1
57.03432	1.7
57.07063	1.6
62.75524	0.6
64.02370	0.7
67.05180	0.8
67.05505	10.8
69.07066	5.5
69.38480	5.4
71.04986	1.1
71.68729	0.8
79.05486	4.9
81.03408	1.4
81.07061	10.4
83.04969	2.7
83.08599	3.2
85.06526	1.0
87.04463	1.9
91.05489	6.7
93.07045	6.9
94.04173	1.0
95.04955	2.0
95.08617	4.1
97.06522	1.6
97.10170	2.1
98.98467	35.0
105.07030	2.5
107.04961	1.0
107.08577	2.9
109.06527	0.9
109.10172	6.0
115.05435	4.4
119.04951	2.1
119.08583	3.6
121.06498	0.7
121.10142	3.0
122.03703	1.5
123.11737	1.0
125.09645	1.5
133.10130	1.5
135.11673	1.3
137.05981	36.3
137.09634	1.1
139.11185	2.2
140.01025	0.7
143.04927	16.2
145.10141	0.8
147.11766	1.3
149.05981	1.6
149.13237	0.8
151.07576	3.9
155.10687	1.6
157.10107	1.1
159.11749	0.8
160.05217	2.3
161.13222	1.0
163.07452	0.8
163.14835	0.8
167.08507	1.3
173.11746	5.0
174.99124	1.3
175.07541	11.4
175.11163	0.8
175.99658	0.7
176.98991	1.2
177.07864	14.2
178.08614	1.1
179.08528	1.7
189.11191	1.1
192.10196	100.0
193.10600	1.4
207.08054	2.7
235.07614	1.6
237.11003	0.8
239.10704	1.8
255.10144	1.1
267.10129	1.8
270.27930	1.4
277.21674	4.1
289.22012	0.8
295.22687	2.8
298.49066	0.8
299.12778	5.8
313.21411	1.0
330.13718	2.2
330.17010	44.8
330.26862	1.9
330.28049	0.9
330.30609	3.5
330.33719	1.5
331.17191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1701
Annotation	Protosinomenine
Peak:m/z	Relative Intensity
52.53564	0.5
54.31543	0.5
56.05046	0.8
58.06606	91.3
61.09073	0.5
64.25184	0.4
66.21702	0.5
68.72611	0.4
69.03466	0.6
69.07076	0.6
69.57697	2.4
69.58104	1.1
70.06609	1.2
84.04541	0.7
91.05502	2.0
95.04970	1.3
98.23115	0.5
98.98474	32.8
105.07101	0.5
107.05007	0.8
115.05458	3.9
116.07138	0.5
116.99502	0.9
117.07031	0.8
119.04965	1.7
121.06501	0.5
123.04443	26.8
124.07587	0.6
131.04935	1.1
133.06470	0.7
135.04407	0.8
137.05991	7.4
139.03865	0.6
143.04941	9.8
145.06557	0.7
147.04420	0.8
149.06035	0.7
150.05525	0.5
150.06744	0.6
151.07532	2.9
153.07013	0.7
154.33731	0.7
155.08578	1.7
160.05219	1.2
161.06015	1.7
163.07568	1.5
165.05455	0.5
168.06638	1.2
168.10236	0.6
174.99281	1.0
175.07565	9.8
176.98964	1.2
177.09300	0.5
178.04953	0.5
179.08566	0.6
181.06534	0.7
183.08104	1.0
192.10197	3.6
193.11035	1.5
194.11685	0.7
197.05936	0.6
199.07639	0.6
207.08131	1.9
209.06041	1.0
211.07582	1.5
213.05557	1.0
213.09201	0.8
224.04707	1.2
225.09094	1.6
225.81581	0.5
227.07074	1.5
235.07556	1.7
239.07022	5.2
241.04970	9.1
241.08722	0.7
243.06447	0.5
251.07141	0.6
253.04961	1.2
253.08621	2.2
254.05820	1.2
255.06697	0.8
255.10126	0.8
257.08142	4.6
263.07175	1.7
270.07538	4.2
271.08530	0.5
283.06113	0.7
284.09576	0.5
284.12872	2.2
285.11240	8.9
287.12741	3.7
301.07108	7.3
312.08560	2.5
312.11920	0.6
313.07034	1.5
313.10352	0.7
314.10608	0.9
315.11041	0.8
330.10193	16.2
330.13745	5.0
330.17004	100.0
331.10284	0.7
331.17169	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	330.17
Annotation	Dehassiline
Peak:m/z	Relative Intensity
50.19786	0.1
52.99082	0.1
65.03930	0.2
66.10404	0.2
68.58643	0.1
69.97161	0.6
77.83933	0.1
79.05506	0.3
81.07060	0.4
91.05483	2.3
92.91067	0.1
94.04205	0.8
95.04964	0.5
98.21378	0.2
102.16483	0.2
103.05475	0.2
105.03518	0.2
107.04945	0.4
109.06525	0.5
115.05464	6.3
115.06277	0.3
117.06999	0.5
119.04952	1.5
121.06512	0.3
122.03656	2.6
123.04423	0.2
128.06206	0.2
129.07025	0.2
131.04924	0.4
136.05220	0.2
137.05988	37.0
138.06332	0.2
143.04932	19.0
144.05664	0.5
145.06487	0.3
147.04410	0.3
147.07997	0.4
148.07625	0.3
149.05975	0.6
149.08362	0.9
151.07562	3.6
152.06201	0.2
160.05206	2.6
160.07547	0.5
161.06009	0.3
161.08354	0.2
163.07559	0.7
165.07005	0.2
167.08578	1.2
174.09187	0.2
175.07561	13.1
176.08276	0.2
177.07870	15.4
178.07404	0.2
178.08891	0.9
179.08516	2.1
181.06473	0.6
181.10040	0.1
183.08023	0.2
189.06992	0.3
192.10207	100.0
193.10597	0.8
195.08073	1.1
196.08833	0.3
205.06548	0.2
207.08067	3.2
209.05865	0.3
209.09598	0.4
211.07565	0.3
212.08333	0.3
213.09084	0.2
223.07639	0.8
224.06268	0.2
224.08351	0.6
227.10699	1.5
235.07570	1.7
236.08192	0.3
237.09114	0.2
239.10667	2.0
241.08583	0.4
251.06940	0.2
252.07849	0.5
253.08659	0.2
255.10193	0.8
267.10168	2.4
268.11069	0.3
269.08136	0.5
269.11511	0.3
272.10422	0.2
284.10422	0.7
287.12778	0.6
298.14438	0.3
299.12796	5.7
301.14374	0.4
330.17010	44.7
331.17383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.9
56.42197	0.3
57.03458	0.7
59.33186	0.3
61.02938	1.3
61.70409	0.3
68.05032	0.4
68.99792	2.4
69.03438	1.0
70.06612	0.4
71.05003	0.5
71.54755	0.3
71.55239	0.5
73.02923	1.4
81.04536	0.6
82.05349	1.0
83.06116	8.7
85.02911	2.5
87.00832	0.4
87.04470	0.9
93.04533	6.8
95.06098	5.6
97.02901	1.2
98.98474	15.1
105.05530	2.0
109.02895	0.4
110.07177	100.0
111.00827	1.4
111.05578	7.7
111.07500	0.6
112.08751	0.8
115.03984	0.8
119.01945	0.4
120.01198	0.4
127.03959	0.6
129.01851	4.3
132.08122	0.6
133.04990	2.7
136.05084	2.1
137.05992	1.5
138.05505	0.8
138.06528	0.3
139.00276	1.9
143.04959	1.0
145.04950	0.4
149.05919	0.3
151.06027	1.8
151.07506	0.6
152.08221	0.6
156.07701	39.6
157.01294	0.7
158.07080	0.4
160.05193	0.3
168.06592	0.4
174.99174	0.7
175.07498	0.4
176.98915	0.8
178.08673	0.7
180.07680	0.9
186.06636	0.6
192.10191	4.2
198.08740	1.1
204.04645	0.3
204.07732	3.1
206.05571	0.9
206.09189	0.4
220.07283	0.5
221.05814	0.3
222.08780	0.4
230.05672	1.9
232.07169	0.4
240.09764	1.2
248.06686	1.9
250.08353	0.3
266.07773	6.7
284.05688	0.6
284.08801	10.1
294.07248	1.2
312.08279	14.9
313.08691	0.5
321.10464	0.4
330.09235	21.6
330.17209	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	329.2688
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03934	1.3
55.01873	1.3
55.05514	32.2
55.25191	0.7
57.03188	1.0
57.03442	14.6
57.07080	17.7
65.35986	0.6
67.05511	12.3
67.81477	0.9
68.45876	0.7
69.03416	0.9
69.07072	41.5
69.34209	2.7
69.34631	3.4
71.05006	1.8
71.08635	10.7
73.06556	1.1
79.05501	8.5
81.07060	18.6
81.88788	0.7
83.04973	2.3
83.08141	1.4
83.08628	26.5
85.06537	2.0
85.10191	4.8
87.08044	0.8
91.05495	2.7
93.07051	9.0
95.08617	13.5
97.06543	7.3
97.10181	15.4
98.98472	100.0
100.98898	0.9
101.06013	1.3
105.07037	2.2
107.08609	8.6
109.10159	6.9
111.08105	3.4
111.11721	3.1
113.61610	0.7
115.07581	2.1
116.99491	2.3
121.10146	8.6
123.11708	4.1
125.09633	5.3
125.13325	0.9
129.09146	1.1
135.11702	7.3
137.05998	2.6
137.13239	2.4
139.11185	5.5
143.04897	1.2
143.96959	0.7
149.13266	7.0
153.12746	3.3
157.10181	0.8
160.05174	0.8
163.14857	4.0
167.14307	1.6
174.99240	6.1
175.07607	1.7
176.98940	3.7
177.16431	1.5
181.15910	1.3
192.10223	6.1
199.11234	0.8
219.21046	7.6
237.22144	6.3
311.25894	6.7
329.10236	1.5
329.26892	45.8
330.16895	3.9
330.27359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
57.03406	0.8
67.05511	9.2
69.03422	0.7
69.07077	3.1
69.42428	1.9
69.42857	2.7
79.05119	0.7
79.05505	7.7
81.03438	1.2
81.07060	5.3
83.04964	1.1
83.08604	1.5
91.05480	6.9
93.07041	5.7
95.04968	1.9
95.08613	4.7
97.10178	1.9
98.98468	100.0
103.05474	2.8
104.05782	1.8
105.07025	5.2
107.04949	4.3
107.08611	4.2
107.72465	0.6
108.05298	2.2
109.06517	0.5
109.10168	4.8
114.68951	0.5
115.05500	0.6
116.21515	0.7
116.52916	0.5
116.99506	1.5
117.07043	1.9
119.04977	0.8
119.08595	2.9
121.06531	0.7
121.10151	2.0
125.09639	1.4
128.06238	1.5
129.06578	0.6
131.04953	1.7
131.08575	1.9
132.05272	0.7
133.10161	1.5
135.08086	1.1
135.11711	0.9
137.06003	4.1
137.09644	2.0
138.06343	2.5
138.12840	0.6
140.01137	0.9
143.08566	1.5
144.08914	1.9
145.10109	1.2
147.06776	0.7
149.09599	1.0
151.07568	2.5
152.07971	0.8
155.08533	0.8
157.10121	1.6
159.11717	1.5
163.07602	4.1
164.07916	4.0
171.11757	0.7
172.08472	1.7
172.13434	0.7
173.11708	2.5
174.99240	7.9
175.99632	1.3
176.98947	2.4
182.72923	0.6
185.13336	0.8
188.08301	1.8
189.08749	2.1
190.08691	1.1
193.12300	0.8
203.10718	1.8
204.11041	4.2
205.06512	1.1
211.07703	0.6
211.38702	0.6
223.07632	0.6
232.39520	0.6
233.06042	1.1
237.09026	3.0
263.31442	0.7
265.08627	4.6
275.20230	1.5
280.11047	0.8
281.08136	0.7
297.11258	3.9
311.05640	0.9
311.09229	0.8
311.12790	1.8
328.11987	1.2
328.15790	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	329.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05264	1.1
55.05516	16.7
57.03444	5.9
57.06823	0.8
57.07081	10.1
67.05508	7.8
69.07072	22.6
69.76630	3.2
70.02850	0.5
71.04990	1.3
71.08641	5.4
73.06548	0.8
79.05509	4.3
81.07061	12.2
83.04958	1.1
83.08624	12.2
85.06552	1.3
85.10184	2.8
91.05498	1.8
93.07044	6.0
95.04921	1.0
95.08611	9.0
97.06522	4.5
97.10182	8.7
98.20757	0.7
98.98473	100.0
99.08111	1.3
100.98891	0.7
101.06010	1.1
101.15691	0.5
105.06995	1.5
107.08601	5.6
109.06519	0.7
109.10155	3.5
111.08086	2.6
111.11739	2.0
112.79506	0.7
115.07570	1.3
116.99527	2.4
119.08594	1.1
121.10152	6.8
123.11720	2.7
125.09629	2.8
125.13239	0.6
129.09100	0.9
131.08609	1.3
133.10123	0.8
135.08148	0.6
135.11693	6.5
137.05984	3.3
137.13300	0.8
139.11186	3.1
143.04947	2.1
143.08548	0.6
145.10161	1.1
149.13245	3.1
153.12799	1.7
157.10147	1.1
159.11710	0.9
161.13322	0.9
163.14798	1.6
167.14360	1.5
169.10204	0.9
171.11699	0.6
171.13892	0.7
174.99242	6.7
175.00536	0.9
175.07574	0.9
176.98967	3.2
177.07831	1.1
177.16379	0.8
181.15875	1.4
185.59969	0.6
187.11230	0.8
192.10228	8.5
195.17413	0.6
219.21071	3.5
237.22147	4.8
252.99843	1.2
266.09027	0.7
294.51974	0.6
298.11450	0.7
299.12906	0.7
311.20172	1.0
311.25784	3.4
329.17279	0.7
329.20886	1.4
329.26923	24.8
330.17035	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	328.1543
Annotation	Lastourvilline
Peak:m/z	Relative Intensity
58.06588	2.7
71.00991	1.1
71.01319	1.2
91.88634	0.8
132.26933	0.9
151.07561	3.4
163.06279	1.4
165.07077	4.6
165.09090	1.1
166.07616	1.5
167.08522	1.9
177.06966	5.6
178.08714	10.0
179.08592	4.1
181.06512	2.5
181.10091	1.3
189.06935	1.0
190.07738	1.9
191.08546	11.6
192.10219	1.0
193.06526	5.1
194.07263	7.8
195.08032	3.2
205.06497	13.9
206.07268	1.2
207.08076	8.4
208.08813	3.1
209.09636	6.7
210.06732	2.6
211.07553	2.3
216.87117	1.0
218.07222	1.7
219.08084	9.5
221.05986	9.4
222.06761	23.8
223.07553	4.0
225.09123	2.4
233.05968	7.8
234.06619	1.2
235.07585	4.2
236.08336	4.1
237.09117	34.8
238.06265	5.0
239.07031	8.3
247.07576	3.0
249.05472	5.5
250.06181	5.4
251.07039	13.7
252.10269	1.3
253.08673	7.0
254.09413	1.5
255.10275	1.2
263.07059	2.4
264.07730	1.5
265.08618	75.2
266.05930	1.2
266.09296	3.6
267.06552	8.3
268.07361	1.0
268.13464	1.9
270.11423	1.0
279.06595	3.3
279.10089	1.0
280.09760	1.7
281.08026	4.9
281.10751	1.2
282.08887	23.5
285.11130	1.0
296.06793	11.8
296.12680	1.3
297.11255	80.7
298.10986	3.2
311.05508	1.8
311.09161	33.6
312.08743	1.9
312.12305	26.5
312.15863	1.8
313.13052	16.0
328.12378	3.6
328.15448	100.0
329.15714	2.2
333.68372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12154	0.7
55.05519	1.0
58.06594	1.6
69.03431	1.0
69.07065	1.1
70.22382	2.9
71.04977	1.0
77.75056	0.7
79.05486	1.9
81.07062	2.2
91.05470	4.2
93.07038	3.5
95.08598	1.6
98.98478	100.0
105.07058	2.3
107.04961	1.8
107.08604	2.5
116.99519	2.6
119.04923	1.7
119.08577	1.0
121.10132	1.5
122.03632	0.9
128.06195	1.2
130.19044	0.9
133.10109	1.0
137.05997	4.9
138.06323	2.8
143.08542	1.1
151.07611	4.4
152.07912	3.4
155.08510	1.1
162.09134	1.3
163.07565	1.0
164.07886	0.9
165.09125	0.8
174.99237	8.2
175.99713	1.0
176.98950	4.0
178.08701	1.0
188.08328	1.2
190.08653	2.7
203.10689	1.5
204.11009	2.7
205.06488	3.0
209.09853	1.0
222.06885	0.9
233.05962	2.1
237.09209	6.7
239.07077	1.3
243.10178	1.1
250.06255	1.4
251.06905	0.9
253.08698	1.1
265.08627	13.3
266.09204	1.0
272.15884	0.8
275.20071	1.2
279.10074	1.2
280.10922	3.6
281.08173	2.7
282.09006	1.5
296.10345	2.8
297.11282	7.5
311.05704	1.6
311.09125	2.1
311.12790	3.6
324.26886	0.9
328.12161	1.5
328.15573	11.5
329.10342	1.1
329.17349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1544
Annotation	(S)-Scoulerine
Peak:m/z	Relative Intensity
56.05038	1.0
58.06607	19.6
69.93474	0.4
70.60038	0.4
70.69097	0.9
71.86836	0.4
110.11600	0.4
137.05966	0.5
142.62347	0.4
155.82440	0.5
162.09171	1.7
165.06979	2.1
166.07784	0.6
167.08543	0.7
168.05765	0.5
170.59795	0.4
177.06972	1.9
177.08052	1.2
179.08545	0.9
181.06488	1.3
182.07231	0.6
183.08083	1.8
185.05948	0.8
190.08656	2.3
191.09483	3.5
192.10219	17.1
193.06471	0.8
194.07321	1.5
195.07996	0.7
196.05156	0.7
197.06000	1.1
198.06775	0.5
200.08368	1.9
205.06505	7.6
206.07278	0.7
209.06087	0.7
209.09673	1.3
210.06764	0.8
211.07555	7.5
212.08353	2.0
213.05534	0.7
213.09087	0.9
215.10759	0.6
221.05988	0.9
222.06725	3.6
223.07513	1.4
225.05464	0.6
225.09215	2.1
225.11134	0.5
226.09900	0.9
227.07092	3.4
228.07767	2.1
233.06035	3.4
234.06688	1.5
237.09109	8.4
239.07088	5.6
240.07735	0.6
242.11638	0.7
243.10233	4.3
250.06322	1.0
251.07062	3.9
253.08617	1.4
253.36011	0.4
254.09363	2.1
255.06476	1.6
256.07202	0.8
265.08633	9.3
266.09387	2.4
267.06577	2.3
267.10046	0.6
268.13507	0.6
270.09015	2.0
271.09744	5.1
279.06497	0.6
282.08957	4.7
285.11240	5.0
297.11234	5.0
311.09207	1.7
313.27228	0.5
328.15457	100.0
329.15829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1544
Annotation	Lastourvilline
Peak:m/z	Relative Intensity
53.58051	0.9
58.06595	3.5
68.80770	0.8
69.96852	2.1
69.97262	2.2
73.76894	0.9
98.98469	2.7
112.12345	1.0
118.28593	0.9
144.16635	1.1
144.86389	0.9
151.07544	1.7
152.94041	0.8
163.06279	2.0
165.07027	2.5
166.07675	1.0
174.08836	1.0
175.92613	0.8
176.91504	0.9
177.05579	1.6
177.06984	11.9
178.08690	9.5
183.08067	1.2
190.08594	1.3
191.08557	2.7
192.10205	2.6
193.06509	1.1
194.07304	7.2
194.08821	1.1
205.06509	27.2
206.07332	1.4
207.08080	3.1
209.09662	3.2
210.06807	2.4
211.07535	3.7
219.08090	1.7
221.06046	3.6
222.06789	17.1
223.07494	2.6
225.09175	2.2
233.05949	7.9
234.06816	2.1
236.08351	1.5
237.09128	46.7
238.06302	2.7
239.07056	6.2
243.10202	1.2
247.07668	1.6
249.05545	2.7
249.92973	0.9
250.06206	4.6
251.07043	8.5
253.08618	4.3
254.09348	3.3
264.07928	1.1
265.08621	81.6
266.09155	3.9
267.06558	5.8
279.06473	2.6
281.07993	2.7
281.10916	0.9
282.08853	12.7
284.12881	2.6
296.06680	5.0
296.12802	1.4
297.11252	56.4
298.10825	7.1
311.09161	17.6
312.12317	11.5
313.13068	10.0
328.15451	100.0
329.15662	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	328.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93617	0.6
70.76469	0.7
70.76810	1.1
120.74261	0.6
152.85042	0.6
153.20453	0.6
165.06989	1.5
168.95790	0.6
179.08537	0.9
191.08592	2.0
194.07358	0.9
197.09644	1.0
203.08446	0.8
205.06500	2.1
206.07188	0.7
207.08090	2.1
208.08763	0.9
209.09572	1.1
210.06737	1.5
219.08076	1.7
220.08804	1.0
221.06024	2.3
222.06769	1.9
223.07466	0.8
224.08282	0.7
225.09195	4.1
233.05983	2.6
234.06581	0.7
235.07513	2.1
236.08313	3.5
237.09114	22.3
238.06299	1.5
247.07571	1.9
248.08318	1.1
249.05499	1.2
249.09134	2.1
250.06310	0.7
251.07060	1.0
251.10666	2.2
253.08609	10.8
254.72581	0.7
263.07040	2.8
264.07855	3.3
265.08609	52.7
266.05887	0.8
266.08975	1.4
267.06436	1.7
267.10159	2.2
279.10220	5.5
280.10950	100.0
281.08118	41.4
281.11246	2.5
282.08725	3.5
296.10437	60.1
297.11090	3.4
311.12778	93.1
312.12866	1.1
328.11874	0.8
328.15350	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	328.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19057	0.7
55.01954	0.7
58.06386	3.3
58.06714	12.7
71.31945	1.2
73.65014	0.6
74.72805	0.7
93.92742	0.7
94.81375	0.6
98.98624	4.9
119.24913	0.6
152.06429	2.2
153.07181	1.8
162.09317	2.5
165.06978	3.1
166.07910	1.5
167.08562	6.9
168.51517	0.6
176.06317	1.7
177.07188	5.9
178.07884	0.7
179.08562	4.1
181.06477	3.1
182.07457	2.2
183.08282	2.5
185.06004	0.7
190.08803	2.1
191.09511	3.4
192.10202	16.1
193.06670	2.3
194.07455	2.5
195.08090	6.5
197.06104	1.2
197.09793	2.7
200.08348	1.1
205.06511	17.5
206.07397	1.3
207.08208	2.3
207.61708	0.8
209.06119	1.3
209.09735	1.2
210.06990	2.7
211.07544	8.6
212.08446	1.8
213.09230	1.7
220.05325	1.9
221.05983	9.4
222.06792	6.4
223.07568	6.7
224.08452	1.0
225.05542	1.0
225.09108	3.8
227.07068	3.2
228.07889	1.7
233.06018	10.2
234.06824	1.7
235.07692	2.4
237.05600	1.3
237.09116	10.0
238.06294	3.1
239.07045	5.4
240.07964	1.7
243.10243	5.9
249.05476	4.2
250.06334	2.3
251.07066	21.4
252.07829	0.9
253.08720	2.8
254.09549	2.7
255.06685	2.1
261.05515	2.1
262.06253	0.8
263.07175	1.5
265.05569	1.3
265.08563	8.8
265.10959	0.6
266.05844	7.6
266.09399	3.5
267.06662	2.2
268.07352	0.7
270.09021	2.2
271.09677	4.5
278.05963	1.0
279.06540	57.9
280.07184	3.5
281.08182	3.5
282.06201	0.7
282.08801	3.9
285.11252	5.2
295.06125	1.9
296.06793	14.5
297.11136	4.2
311.09158	100.0
312.09509	1.2
328.11884	6.5
328.15430	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.72612	0.2
65.60715	0.3
68.99815	0.6
69.04537	0.3
70.73304	0.8
84.97646	0.3
91.05477	0.7
93.07055	0.5
94.68308	0.3
98.98476	8.2
103.05470	0.7
107.04957	1.3
115.05441	0.7
117.68551	0.3
119.04990	0.3
120.02091	0.7
121.06514	4.5
128.06218	1.0
129.07007	0.3
131.04901	0.3
135.04417	1.1
136.07498	0.3
137.02353	0.6
137.05948	0.7
138.09126	0.6
141.06985	4.8
142.78819	0.3
143.04999	0.4
143.08565	0.6
145.06488	0.4
151.07565	0.4
152.06230	0.4
153.07011	1.3
155.04912	1.0
157.06468	0.7
163.03934	1.0
165.06963	0.3
169.06508	6.7
171.08113	1.4
176.98947	0.4
177.05537	0.4
178.08661	0.5
181.06520	2.5
183.04391	0.4
184.05167	0.4
185.05977	0.9
187.07536	0.6
190.08704	0.4
191.08620	0.4
194.07422	0.4
196.07596	0.3
197.05994	15.5
198.06635	0.6
199.07472	1.9
205.06447	1.5
206.08290	0.5
209.05902	1.4
211.03993	0.7
212.04721	2.7
213.05458	1.0
215.07065	0.4
221.06122	0.3
222.06941	0.6
223.03931	0.9
223.07541	0.6
224.07135	0.8
225.05495	12.4
226.06372	0.7
226.08624	4.9
227.07045	33.5
228.06795	1.3
230.08188	0.5
233.05994	1.2
237.05540	0.7
237.09157	1.4
239.03378	0.5
239.07120	0.5
240.04352	0.3
240.06596	1.0
241.05045	0.4
242.05856	0.3
242.08121	4.5
250.06346	0.4
251.07019	0.9
252.06476	0.6
253.05019	2.1
253.08597	0.4
254.08200	1.3
255.06535	25.1
256.06287	1.0
265.08640	4.1
267.06506	0.9
267.09274	0.5
268.06061	1.8
269.11813	0.8
270.07632	5.5
280.06186	0.6
280.10907	0.5
281.04507	1.6
281.08121	0.9
282.08646	0.4
283.05936	1.0
285.07571	3.2
286.14337	0.5
296.10101	0.4
297.11191	3.6
298.07178	4.6
300.08719	0.4
300.12793	0.5
310.07196	2.0
311.05524	9.5
311.08856	0.5
311.12729	0.6
328.08176	100.0
328.15363	4.4
329.08533	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	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.71862	0.4
53.03938	0.6
55.05502	0.7
65.03960	0.9
67.05521	1.3
69.03430	0.6
69.07076	0.8
70.98280	0.4
71.04985	0.4
71.57216	0.5
72.64879	0.4
79.05518	2.1
81.03413	1.0
81.07059	3.1
83.08596	0.5
90.44688	0.4
91.05490	19.0
93.07058	1.9
94.04203	1.0
95.04970	2.6
95.08603	2.0
98.98476	100.0
103.05482	0.9
105.07043	2.9
107.04964	1.5
107.08611	1.4
109.02922	0.7
109.06538	1.2
109.10181	1.4
115.05464	0.7
116.99505	2.6
117.07026	1.2
119.04957	14.1
119.08620	1.2
121.10155	0.8
122.03648	3.5
123.08089	0.9
128.06219	2.2
129.07022	0.8
130.07825	0.4
131.04955	0.9
131.08585	0.9
133.06500	1.4
133.10161	0.8
135.08041	0.7
135.11708	0.8
136.05200	1.6
137.05989	50.7
137.09621	1.4
138.06360	0.5
143.08578	4.8
145.06512	1.4
145.10158	1.6
147.08080	0.4
149.05960	0.5
151.07555	67.5
152.07890	0.6
156.09424	0.5
157.10143	1.2
159.08151	0.5
159.11705	0.9
160.08934	0.5
163.07603	1.9
165.09149	6.3
171.08040	4.3
172.08881	0.8
173.05969	0.8
173.13196	0.7
174.99252	12.3
175.07578	0.9
175.11220	0.7
178.07635	0.5
179.08609	0.5
181.10098	0.5
183.11754	0.7
188.08324	8.3
189.09161	0.7
195.08015	0.6
203.10686	27.9
206.06938	1.4
207.08095	0.9
221.05931	0.5
221.13387	0.6
223.07547	0.8
224.08083	1.0
225.08913	0.8
233.06108	0.4
234.06624	0.9
235.07468	1.0
236.07817	0.5
237.09105	0.7
238.09673	1.1
250.99994	1.3
251.06984	0.6
252.07646	1.8
253.08505	0.5
264.07303	0.6
265.08636	1.2
266.09091	1.7
267.10220	0.9
269.08069	0.6
270.08795	0.5
277.08554	0.6
281.07953	0.8
282.08432	0.9
283.09680	0.8
284.10324	0.7
295.09656	1.2
295.12946	0.4
296.10077	2.2
299.12546	0.6
310.07910	2.3
327.08710	0.8
327.12292	3.1
327.15918	11.9
327.19757	1.0
327.22668	0.5
328.15729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.35143	1.2
52.63450	1.2
53.03936	3.0
59.54107	1.2
64.62301	1.3
65.03925	1.5
70.71169	1.7
70.71498	2.8
71.41830	1.5
77.03915	2.5
79.05483	3.6
91.05492	24.0
93.07038	1.8
94.04208	2.5
95.04965	11.7
98.98474	33.6
103.04789	2.9
103.05476	57.4
105.07024	5.9
107.04964	14.4
109.06564	6.1
112.11443	1.3
115.05449	8.2
117.07045	9.4
119.04979	11.9
119.08575	1.8
121.06528	7.0
122.03679	10.3
128.06233	30.2
131.04939	29.5
133.06541	3.2
135.08066	2.8
136.05257	1.8
137.05989	100.0
138.06259	1.6
141.06985	2.8
142.07779	1.9
143.08563	42.2
145.06493	22.6
146.07236	3.7
147.04430	3.4
148.05225	7.3
149.05986	2.3
149.09627	1.6
151.07553	49.0
152.06245	7.0
153.06982	5.6
155.06015	2.4
157.06531	1.5
159.08058	2.3
160.05231	1.3
160.08838	2.4
161.05969	5.2
161.09624	4.8
162.06792	3.1
163.07552	43.9
165.09189	8.4
168.05676	2.2
169.06430	1.9
171.08063	52.7
172.08780	2.2
173.06001	11.4
174.06767	2.3
174.99255	4.4
175.07547	9.8
175.11084	1.6
177.09120	11.7
179.08649	1.4
187.07533	10.9
188.08336	70.9
189.09103	1.7
192.09369	2.6
195.08194	1.8
203.10683	96.6
220.08817	1.6
225.09033	2.1
233.03659	5.2
235.11176	2.8
237.09067	1.4
237.56966	1.4
238.09796	2.4
251.04672	3.9
251.07037	2.2
255.10231	2.3
263.10709	3.6
267.09900	1.4
267.13846	4.2
269.08170	1.6
283.09750	7.1
290.10345	1.5
295.13217	7.0
298.11963	7.7
312.13654	2.3
327.07809	21.9
327.15909	44.2
327.19766	2.9
327.23288	1.4
328.16422	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	327.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03950	2.7
55.01870	5.2
57.03425	3.0
65.03946	6.3
67.05510	3.3
68.99758	1.3
69.03441	1.3
69.07032	1.3
69.87579	4.8
77.03931	1.5
79.05492	9.8
80.06271	1.9
81.07031	2.4
91.05490	99.5
93.07051	3.1
94.04197	2.0
95.04953	5.7
95.08590	2.8
98.98476	91.4
103.04793	2.0
103.05476	34.7
105.04478	1.8
105.07045	18.4
107.04961	37.0
107.08617	1.5
108.05743	4.9
109.06517	4.2
115.05468	8.2
116.06297	1.7
116.99543	1.2
117.07030	6.4
117.46022	1.1
118.04141	3.1
119.04954	100.0
119.08588	2.2
120.05771	1.2
121.06516	14.1
123.04430	2.4
123.08081	7.8
128.06210	1.0
129.35115	1.0
131.04916	5.9
131.08589	1.4
133.06522	13.4
135.08075	9.1
136.05261	2.6
137.05968	7.8
139.03847	1.2
143.08548	1.4
145.06494	2.3
145.07590	1.8
147.04425	38.1
147.08051	7.0
148.08812	3.9
149.05989	4.1
149.09590	4.7
151.07558	28.2
155.08551	1.7
159.08035	2.1
159.11711	5.8
161.05952	2.1
161.09479	1.1
163.07561	40.1
164.04665	1.1
164.08299	3.2
166.13847	0.9
173.09695	1.2
173.13196	1.5
174.99248	10.3
175.03934	1.6
175.11206	13.1
179.07056	69.5
181.58182	1.1
192.04625	1.0
203.10674	2.6
207.11560	1.2
214.06223	1.7
219.90375	1.0
239.07130	1.7
242.05771	20.5
257.08109	71.4
258.08401	1.7
266.09375	3.7
267.10297	1.6
270.08856	1.6
281.18759	1.2
283.09662	1.6
285.11212	6.9
286.11957	3.1
295.13385	1.1
327.08182	3.8
327.15887	6.4
327.19626	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	327.1593
Annotation	Licarin A
Peak:m/z	Relative Intensity
53.03947	0.8
55.01880	1.1
55.91670	0.7
64.90027	1.0
67.05523	0.7
68.97597	0.9
69.62881	5.4
72.08164	1.3
75.32710	0.8
79.05492	2.4
81.07040	2.1
91.05489	11.6
93.07026	1.1
95.04967	2.6
95.08595	1.0
96.31681	0.9
98.98473	100.0
103.05479	26.1
105.07048	5.0
107.04952	4.5
107.08601	1.4
109.06495	2.7
111.16017	0.9
115.05471	4.3
116.99509	1.9
117.07005	4.8
119.04959	6.5
119.08595	1.2
121.06509	2.5
122.03645	3.5
128.06235	7.6
129.06966	2.3
131.04933	15.7
131.08490	1.0
133.06493	2.5
133.10043	1.0
135.04388	0.9
135.08058	2.8
137.05984	32.4
142.07831	0.9
143.04916	2.5
143.08582	9.6
144.05775	1.0
145.06500	9.2
145.10112	2.0
147.04445	5.1
148.05217	4.2
149.05975	3.8
151.07552	29.9
153.06955	1.2
157.06506	1.3
159.08083	1.0
159.11702	2.7
161.05940	5.0
161.09579	1.2
162.06757	16.3
163.07556	21.5
165.07002	1.5
165.09113	3.1
169.06512	1.4
170.07246	1.4
171.08057	13.3
173.05960	6.0
174.06781	1.1
174.99255	11.1
175.07541	5.2
175.11230	1.0
177.09119	6.4
179.08562	1.3
181.10223	1.0
182.07256	0.9
183.08078	3.3
183.11572	1.0
187.07530	5.7
188.08334	31.2
189.09068	1.3
203.10690	35.7
203.12587	1.8
210.06798	2.4
211.07526	7.3
212.08243	1.0
221.05940	5.9
223.07448	1.4
225.09085	6.3
228.07803	2.1
233.19499	0.8
237.09225	1.2
239.07039	3.9
243.10188	3.5
250.99959	1.1
253.08632	7.1
254.09425	3.0
255.10071	1.6
259.09650	2.6
271.09583	5.0
286.12006	32.7
295.13306	1.8
296.10150	1.4
309.18546	1.6
327.15936	17.5
327.19595	2.3
327.23306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.05521	0.6
57.03427	0.5
65.03944	0.6
65.09816	0.5
67.05510	1.3
69.07065	1.5
70.39323	2.1
73.10957	0.5
79.05487	2.1
81.07079	2.7
83.57388	0.5
91.05485	25.1
93.07047	1.2
94.04175	2.0
95.04993	3.0
95.08628	1.7
98.20868	0.7
98.98473	100.0
103.05491	0.9
105.07047	3.1
107.04969	3.8
107.08614	1.4
109.06539	1.2
109.10172	1.0
115.05501	0.5
116.99513	2.2
117.07005	0.8
119.04099	1.1
119.04955	19.6
119.08582	1.7
121.06499	0.6
121.10189	0.6
122.03651	5.1
128.06239	2.5
131.04951	0.9
131.08586	0.8
133.06516	1.4
133.10126	0.7
136.05217	2.4
137.05986	73.5
143.08575	8.2
145.06546	1.0
145.10136	1.9
147.08070	0.8
149.09726	0.5
151.07553	97.4
153.06941	0.6
155.08612	0.7
157.06528	0.6
157.10129	1.1
158.07191	0.6
159.11760	0.9
163.07558	3.8
164.08299	0.9
165.09134	7.1
171.08070	6.5
172.08853	1.0
173.06038	0.9
174.99236	11.1
175.07564	1.6
175.11168	0.8
185.97865	0.5
188.08330	13.7
189.09071	0.9
197.13303	0.7
203.10680	39.4
205.58961	0.6
209.65373	0.6
211.11192	0.6
225.09126	0.8
237.09055	0.9
251.00020	1.7
263.18112	0.6
265.08621	0.9
266.09064	1.2
269.08020	1.0
295.09570	0.9
295.13315	1.0
296.10123	1.2
309.18475	0.6
327.12503	0.9
327.15958	20.2
327.19540	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03946	0.7
54.70247	0.7
67.05493	0.9
69.99223	2.8
79.05507	4.4
81.07069	1.3
91.05486	8.9
93.07029	1.0
94.04193	1.5
95.04973	3.1
98.98472	100.0
103.05473	19.0
104.06316	0.8
105.07016	3.9
107.04961	33.9
107.08591	1.0
109.06519	2.3
110.32470	0.7
115.05486	5.2
116.99532	2.5
117.07041	3.4
119.04935	4.0
119.08591	0.9
121.06503	2.3
122.03625	2.2
128.06223	8.0
129.06960	0.8
131.04935	9.1
131.08525	0.9
133.06512	2.2
135.08049	4.9
137.05983	28.4
143.08565	10.3
145.06519	6.2
145.07539	1.1
145.09962	0.8
146.07245	2.2
147.04416	0.9
148.05191	2.2
149.05974	2.6
149.09566	1.1
151.06422	1.2
151.07565	14.7
155.05959	0.8
159.08069	0.7
159.11699	1.2
160.08821	1.0
161.05954	1.4
161.09645	2.9
161.73636	0.7
162.06784	2.0
163.07547	41.7
164.08362	6.7
165.05489	0.8
165.09128	2.6
171.08086	14.1
173.05988	2.6
174.99232	11.5
175.07556	3.9
175.65891	0.8
177.09145	2.9
185.17546	0.7
187.07555	3.1
188.08336	16.0
203.10689	30.2
203.12604	1.6
209.09528	0.9
223.07588	1.0
251.00075	1.6
263.10678	1.9
265.08762	0.8
283.09775	1.1
295.13168	1.3
296.10001	1.0
298.12085	2.1
327.12259	1.5
327.15933	21.3
328.15646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.52631	0.3
55.01878	0.7
55.05503	0.5
67.05507	1.0
69.03416	0.4
71.04994	0.4
71.55405	0.4
77.01624	0.4
79.05504	3.5
81.03424	0.6
81.07063	1.9
81.66290	0.3
87.78448	0.3
91.04964	0.6
91.05495	7.3
93.07053	1.4
93.98847	0.4
94.04177	1.1
95.04981	2.7
95.08624	0.6
98.98479	100.0
103.05484	13.6
104.06268	0.5
105.07043	3.5
107.04967	30.8
107.08604	1.2
109.06538	1.3
109.10194	0.3
115.05478	3.7
116.99519	2.5
117.07050	2.8
119.04957	2.8
119.08604	1.0
121.06529	2.4
122.03658	2.3
128.06241	6.3
129.07022	0.6
129.85167	0.3
131.04947	7.7
131.08575	1.0
132.05690	0.8
133.06500	1.9
133.10153	0.4
135.08069	3.6
137.05992	22.9
140.01122	0.7
143.08583	8.7
145.06538	4.3
145.07594	0.8
145.10175	0.6
146.07320	1.3
147.08049	0.7
148.05220	2.2
149.06010	2.7
149.09689	0.6
151.03992	0.7
151.07562	10.7
153.07034	0.4
155.06036	0.5
157.10123	0.8
159.04448	0.6
159.08081	1.2
159.11722	1.2
160.05244	0.5
160.08910	0.5
161.06017	0.8
161.09619	1.9
162.06815	0.9
163.07561	31.2
164.08351	5.0
165.09183	2.0
167.08688	0.4
171.08078	11.5
171.11746	0.4
172.08859	0.4
173.06050	2.1
174.06854	0.4
174.99246	10.8
175.07556	3.1
175.11182	0.9
177.09157	2.2
179.08607	0.5
185.09668	0.5
187.07570	1.6
188.08344	13.4
189.09082	0.8
192.09508	0.7
195.07956	0.4
203.10690	22.8
205.06577	0.4
206.06952	0.4
207.08119	0.5
217.10138	0.5
223.07530	0.4
225.09164	0.7
235.11282	1.2
237.09203	0.9
238.09645	0.4
251.00119	0.9
251.07083	0.7
253.08765	0.7
263.10641	0.7
265.08649	1.0
266.09036	0.9
267.10098	0.6
267.13828	0.8
280.11182	0.5
283.09729	1.3
285.11301	0.4
286.12134	0.6
295.09967	0.4
295.13388	1.5
296.10080	1.1
297.11282	0.4
298.12247	1.7
299.12933	0.4
304.93219	0.4
327.15979	14.3
327.19501	1.4
327.22977	0.7
328.15704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84158	0.5
53.20398	0.4
55.05513	0.9
57.03419	0.6
65.03944	1.1
65.24138	0.5
67.05511	1.4
67.72470	0.4
69.03442	0.4
69.07072	1.3
71.55222	0.8
74.03537	0.4
77.01569	0.6
77.64271	0.4
79.05497	2.2
81.07053	1.8
91.05492	26.9
93.07069	0.8
94.04183	1.9
95.04980	3.9
95.08650	1.2
98.98476	100.0
101.53477	0.6
103.05472	1.9
105.07041	2.8
107.04948	3.9
107.08572	0.9
109.06522	1.5
115.05489	0.8
116.99516	2.2
117.07050	0.9
117.85178	0.5
117.93535	0.5
119.04955	19.7
119.08658	0.7
121.06554	0.7
121.10203	0.7
122.03667	5.5
123.08088	1.2
128.06232	2.6
131.08601	1.3
133.06493	1.6
133.10153	0.9
135.08058	0.8
136.05231	3.0
137.05991	77.4
138.06311	0.9
140.01167	0.9
143.08592	7.1
145.06477	1.3
145.10172	1.2
149.05998	0.7
151.07558	96.3
152.07906	1.4
159.11757	0.7
160.08852	0.8
163.07599	3.5
165.09120	8.6
169.10109	0.8
171.08070	5.9
172.08817	1.2
173.06018	1.9
174.99248	12.4
175.07568	0.9
175.11165	0.8
188.08336	12.2
189.09149	0.7
197.13393	0.5
203.10684	37.5
225.09036	0.9
235.07504	0.6
238.09590	0.6
251.00055	1.0
253.08624	0.6
263.18246	0.7
265.08496	0.8
269.08145	1.4
269.95233	0.5
270.51007	0.5
281.19067	0.9
283.09668	0.7
285.11087	0.5
295.09860	0.8
295.13196	0.7
296.10101	1.4
309.18616	0.6
310.07819	0.6
327.12442	1.0
327.15958	18.1
327.19583	1.7
328.15967	0.8
345.62195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38739	0.4
70.06733	1.1
70.07119	1.0
74.89542	0.5
83.43285	0.4
86.51036	0.4
99.02977	0.4
125.04137	0.5
133.72549	0.5
151.97244	0.5
155.83630	0.4
165.07002	0.9
176.06259	0.6
177.07030	7.1
178.07800	1.0
179.08553	1.4
189.06960	1.4
191.08517	1.1
193.06465	0.5
194.07286	5.0
205.06502	25.3
206.07185	1.6
207.08041	2.7
208.08833	0.7
209.09630	0.8
217.06490	0.8
219.08054	1.1
221.05998	0.8
222.06766	12.3
223.07536	0.6
224.08383	0.9
225.09067	0.6
233.05994	20.7
234.06657	2.1
235.07526	5.0
236.08391	0.7
237.09120	30.7
238.09456	0.6
247.07562	0.8
248.99310	0.5
250.06306	3.6
251.07060	1.2
252.07834	2.4
263.07040	4.3
264.07837	4.9
265.08612	63.0
266.09027	1.0
279.06424	0.8
280.07285	4.1
295.09674	100.0
296.09991	2.1
326.13879	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	Licarin B
Peak:m/z	Relative Intensity
53.03948	1.6
55.01869	3.1
55.05509	2.5
67.05501	5.1
69.03452	1.9
69.07072	4.2
71.05016	1.9
71.55345	2.0
74.45332	1.6
79.05489	9.6
81.03429	3.7
81.07059	10.5
85.06506	2.1
89.03923	2.0
91.05486	16.5
93.07058	7.2
94.04198	2.9
95.04984	4.5
95.08629	8.7
102.04706	1.8
103.05475	11.5
104.06278	4.8
105.07044	25.2
107.04953	29.5
107.08590	7.3
109.06527	4.3
109.10160	5.1
109.95737	1.9
115.05451	14.5
117.07028	7.0
117.55704	1.5
119.04890	2.9
119.08592	7.3
121.10153	2.4
122.03667	6.8
123.08115	2.5
123.11726	2.9
128.06233	2.4
129.07025	2.3
130.04160	4.1
131.04927	8.6
131.08549	3.4
133.06468	13.4
133.10147	3.7
135.08083	6.3
135.11655	2.0
137.05991	73.6
141.07028	5.0
142.07820	1.9
143.08571	4.1
145.06523	3.0
145.10170	4.0
146.03630	10.6
147.04425	5.1
147.07996	2.6
147.11723	2.3
148.08803	2.6
149.06018	5.5
151.07593	6.0
152.51984	1.7
153.07098	2.5
157.10153	4.3
158.07420	3.8
161.05991	84.1
161.13332	2.0
162.06749	10.0
163.03947	4.2
163.07559	16.8
165.07021	3.2
167.08606	2.3
169.06520	5.2
169.10138	1.6
173.09668	4.2
173.22238	2.0
175.07582	4.1
179.08565	4.0
181.06494	2.3
183.11700	2.8
186.06828	4.1
189.07027	4.7
190.07837	10.0
191.08498	4.0
196.08821	2.5
201.09087	14.0
202.07852	2.5
203.08604	6.1
204.09418	2.9
205.06494	8.2
205.10141	14.5
206.06903	14.4
207.08098	7.1
213.12843	2.0
215.08640	6.2
218.07339	13.2
219.08139	6.8
221.06075	5.0
221.09637	2.3
222.06792	2.8
222.10414	3.4
223.07614	4.2
231.08141	3.0
232.08846	4.4
233.06052	4.9
233.09625	33.7
234.06415	9.6
234.10455	5.1
235.07594	17.7
236.07915	21.6
237.09174	5.2
237.12711	2.1
240.07687	2.0
247.07558	3.6
249.05579	4.8
249.09152	4.0
250.06229	2.0
250.09929	10.9
251.07117	3.9
261.09122	28.8
262.10001	4.2
263.07077	11.2
264.07477	34.5
265.08658	5.7
265.12329	17.6
268.07224	2.4
275.10596	3.6
277.08713	2.5
278.09335	9.9
279.06927	2.4
279.10309	4.9
281.08081	5.0
283.09637	1.9
284.10324	2.2
293.08408	4.8
293.11722	100.0
294.08463	42.9
294.12088	4.8
295.09723	12.3
295.12857	2.3
296.10367	2.2
297.11053	2.5
307.13217	2.3
309.07617	4.2
310.12103	7.0
325.05417	2.4
325.14410	80.7
325.25253	4.2
337.81320	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01860	3.2
59.99010	1.2
67.05518	2.3
69.07063	1.7
71.06892	2.5
79.05497	10.7
81.03403	1.8
81.07050	4.1
90.76013	1.2
91.05493	9.7
93.07056	2.1
94.04198	1.1
95.04974	2.6
95.08592	2.6
95.35800	1.1
103.05479	26.2
105.03394	1.3
105.07036	54.7
107.04942	3.6
107.08592	1.6
109.06544	1.9
109.10148	2.1
115.05463	20.0
117.06998	2.7
118.04205	5.9
119.04933	1.7
119.08570	3.4
121.06488	1.4
121.10146	2.1
122.03648	3.3
123.08103	1.2
126.49986	1.0
128.06221	3.4
129.07039	1.3
131.04939	8.9
132.05644	2.0
133.06505	47.5
135.08061	2.4
137.05006	1.7
137.06003	24.1
141.07013	14.3
142.07733	1.3
143.04990	2.2
143.06030	4.4
143.08519	2.1
145.06483	2.5
145.10139	1.9
147.04416	1.4
148.05196	4.9
149.06004	2.9
151.07571	6.0
157.10110	1.6
158.07280	6.7
158.41888	1.3
159.07961	1.3
161.05998	100.0
163.03856	1.6
163.07559	12.2
167.07072	1.9
168.05807	1.4
169.06532	14.0
170.07233	1.7
173.09624	9.1
175.07544	8.3
185.05975	3.4
186.06773	35.9
190.07803	2.9
201.09126	36.6
202.13086	1.2
203.08569	1.9
205.06519	2.2
205.10071	5.6
207.07930	1.7
210.70969	1.2
218.07260	1.9
232.08885	1.5
233.09607	8.7
235.07520	3.9
236.07861	2.6
250.09810	3.3
261.09122	4.5
263.07074	3.8
264.07336	5.1
265.08627	2.3
265.12143	5.7
278.09338	2.8
281.08017	2.2
293.11670	9.5
294.08359	5.6
294.11890	1.8
295.09628	3.7
296.10361	3.1
310.12045	3.4
325.11017	1.4
325.14279	15.5
325.17963	3.6
325.21448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41033	0.5
52.06672	0.5
53.03936	2.2
55.01875	2.7
57.03431	2.8
61.02924	1.2
67.05490	0.8
69.03432	15.2
69.07072	0.6
71.05001	4.4
71.55928	0.5
71.56302	0.6
73.02902	1.1
75.04476	0.7
79.05483	0.7
81.03420	16.9
81.07037	1.0
83.89499	0.5
85.02897	1.2
91.05464	2.1
93.07059	0.9
95.04959	1.2
95.08601	0.7
97.02915	1.0
99.04449	7.4
105.07015	0.7
107.04977	0.7
107.08580	0.7
109.02875	0.8
111.04442	0.6
116.04908	0.6
117.05498	1.6
118.06548	5.7
121.02898	0.8
123.04416	2.8
124.07626	0.6
133.10075	0.5
135.04393	0.6
145.07613	8.7
147.06738	0.5
147.08105	0.9
147.09178	8.3
151.03914	0.8
157.32942	0.6
159.09114	0.5
163.03918	1.9
163.08649	1.6
167.07001	0.6
173.07117	12.6
175.08685	6.7
181.05006	0.9
191.08162	100.0
192.08516	1.0
205.09721	0.7
207.58908	0.6
233.09354	1.0
234.98859	0.6
259.34537	0.6
271.10638	0.9
283.09518	0.6
289.11896	1.6
307.12885	32.3
309.07535	0.7
325.03641	1.2
325.07129	4.6
325.10825	1.4
325.13968	22.2
326.10501	0.8
326.14117	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1072
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
69.03454	0.5
70.06612	0.8
70.14389	1.8
70.14732	0.6
73.42296	0.4
77.75562	0.5
81.03440	0.6
85.02927	0.6
91.05490	0.6
107.08641	0.7
117.80765	0.5
120.05842	0.5
121.02879	1.8
124.33493	0.5
137.05975	0.7
142.63232	0.5
152.06204	1.1
153.07010	1.3
153.17900	0.4
155.08586	0.6
163.04042	1.0
163.05444	0.6
164.06242	0.7
165.06982	4.0
166.07823	1.0
167.08513	0.6
168.09502	0.5
176.07123	1.2
176.27994	0.6
177.07031	1.4
178.07774	10.8
179.08551	6.2
181.06494	4.5
183.08070	1.3
189.06953	2.5
190.07841	1.0
191.08601	1.6
192.05719	4.2
193.06448	3.6
194.07318	2.5
195.08072	2.0
196.05299	0.6
196.08917	1.0
197.05986	0.7
205.06493	6.3
206.07303	10.8
207.08057	12.5
208.08763	2.8
209.05995	6.3
209.09538	1.0
210.06601	0.6
211.07541	1.4
213.09212	0.5
218.07309	1.0
219.08080	1.3
220.05199	6.0
221.06013	5.4
221.09581	0.8
222.05098	0.4
222.06778	24.2
223.07524	4.8
224.08368	4.9
233.06026	1.4
234.06740	5.7
235.07552	25.9
236.08337	9.2
237.05484	4.1
237.09109	3.2
239.07057	1.8
239.10710	1.7
247.07541	0.8
248.04785	0.9
249.05473	1.1
249.09273	0.8
250.06271	32.6
251.07079	6.2
252.07832	15.9
253.08507	0.9
262.06165	0.7
263.04477	1.0
263.07065	12.5
264.07831	42.0
265.08612	87.9
266.08932	1.8
267.06558	4.0
267.10165	10.8
267.12784	0.9
277.08545	1.2
278.05731	1.4
279.06403	2.4
280.07260	3.8
281.08026	1.3
282.11340	1.0
291.06488	1.0
292.07285	10.4
293.08017	9.0
293.10959	1.0
294.08740	9.6
294.11520	0.7
295.06354	1.0
295.09659	23.8
297.07556	0.7
309.07501	2.5
310.08200	17.3
311.11505	1.3
325.10687	100.0
326.10812	1.6
326.14063	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	325.1072
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
54.34636	0.3
54.46519	0.3
55.01838	0.5
66.87707	0.3
79.38947	0.3
85.02873	0.4
90.82304	0.3
98.20704	0.6
128.06219	0.4
152.06230	0.7
153.06996	3.4
155.08519	0.5
159.11511	0.4
163.03874	1.5
163.07510	0.5
165.07057	2.1
166.07747	0.4
167.07019	1.1
167.08540	2.0
168.05711	0.5
168.09279	1.5
169.06483	0.4
176.06157	0.4
177.06966	1.1
178.07796	5.3
179.08557	5.0
181.06450	3.7
183.08026	1.4
189.07004	3.5
190.07736	1.2
191.08527	1.7
192.05672	0.8
193.06480	1.3
194.07260	1.8
195.08064	2.6
196.08817	3.9
197.05994	0.4
205.06487	3.4
206.07283	4.3
207.08067	17.5
208.08751	1.4
209.06004	5.9
209.09460	0.7
210.06691	0.5
211.07567	1.3
217.06499	1.0
218.07274	1.4
219.08066	1.5
220.05212	0.9
221.05949	4.9
222.06795	4.4
223.07545	5.1
224.04695	1.2
224.08333	20.9
225.08884	0.6
227.03395	0.5
233.05878	1.5
234.06828	3.2
235.07562	24.9
236.08363	3.8
237.05482	6.7
237.09172	1.3
239.07164	2.1
239.10583	0.5
245.06145	0.3
246.06734	0.6
247.07588	1.5
249.05557	2.0
250.06245	7.2
251.07042	11.9
252.07837	44.9
253.08401	1.4
262.06219	0.6
263.07077	7.0
264.07965	9.9
265.05090	1.5
265.08606	10.8
266.09055	0.4
267.06558	10.5
267.10147	4.1
275.07034	0.5
277.04871	0.8
278.05783	5.9
279.06534	12.1
280.07339	11.1
281.08240	1.8
291.06586	2.7
292.07339	5.1
293.08105	3.5
294.08868	7.5
295.06076	5.3
295.09689	9.6
295.12781	0.7
297.07700	0.6
309.07596	7.6
310.08353	5.0
325.10760	100.0
326.10925	2.4
326.14151	0.5
339.16919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87891	0.4
61.78833	0.4
68.39175	0.4
71.16866	0.8
80.75627	0.4
84.03596	0.4
95.07030	0.5
129.98708	0.4
151.05345	0.5
176.06284	1.2
177.06998	7.8
178.07835	1.0
179.08551	3.1
189.07008	1.9
205.06497	29.4
206.07016	0.5
207.08009	2.9
217.06374	0.5
223.07370	0.8
225.34232	0.5
233.05986	21.6
235.07547	44.1
236.08047	0.7
245.06010	1.2
251.07089	0.7
263.07047	74.7
264.07336	0.7
293.08081	100.0
294.08438	2.4
297.49673	0.5
324.08801	0.7
324.12296	18.8
345.12262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
56.11591	0.2
62.87716	0.3
65.03928	0.3
66.13119	0.2
68.99810	0.2
69.03455	0.3
69.53519	1.5
69.53922	0.5
72.94195	0.2
79.05468	0.5
85.02898	1.0
91.04973	0.4
91.05491	5.1
92.17701	0.2
97.02895	0.5
105.06993	0.3
107.04964	9.6
115.05505	0.2
119.04951	8.1
123.04433	0.3
127.24957	0.3
135.04434	0.9
139.03943	0.3
145.06557	0.4
163.03915	100.0
164.02858	0.4
164.04286	1.5
175.07556	0.3
177.05498	0.5
205.08829	0.3
207.10066	0.3
235.09650	0.4
246.79582	0.3
315.46014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01858	0.5
55.69761	0.3
61.87866	0.3
65.03930	0.5
67.05470	0.3
69.03416	1.1
69.69112	0.9
69.69523	0.6
70.06590	0.5
71.05007	0.4
79.05502	0.5
81.03413	0.8
85.02908	1.8
91.05486	5.1
94.48018	0.3
95.04973	0.3
97.02876	1.3
98.21516	0.4
104.41574	0.3
107.04958	9.6
109.06499	0.3
115.05440	0.6
117.06990	0.5
119.04948	7.1
121.02822	0.6
127.03941	0.4
131.04958	0.3
131.33304	0.3
131.59918	0.3
135.04419	0.7
137.05962	0.4
139.03912	0.5
141.06979	0.3
145.04980	0.3
145.06485	0.8
151.07565	0.6
163.03908	100.0
164.04256	1.2
173.05901	0.7
175.07530	1.0
178.05013	0.4
181.04994	0.3
183.07961	0.3
187.07553	0.5
191.07047	0.4
192.07779	0.4
205.08620	1.1
217.08629	0.4
231.10039	0.4
235.09663	1.1
239.85902	0.3
245.25850	0.3
251.72717	0.3
258.87939	0.3
259.09473	0.3
289.10944	0.6
307.12128	0.6
325.03400	0.3
325.13876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06188	0.8
55.05515	4.4
57.07067	3.2
60.65562	0.8
60.99563	0.7
67.05233	0.7
67.05509	8.1
69.06779	0.7
69.07081	7.0
71.55955	0.8
77.42019	0.8
79.05512	5.0
81.07062	16.7
81.68400	0.8
83.08604	3.2
91.05486	7.6
91.06030	1.2
93.07053	12.2
95.08054	1.2
95.08614	15.0
95.17347	0.8
97.10167	1.5
105.07037	14.5
107.08606	11.8
109.10161	10.1
117.07035	3.8
119.08585	11.0
121.10140	7.7
123.11697	3.7
128.06242	1.1
129.07008	4.4
131.08578	7.1
133.10136	5.6
135.04466	1.0
135.11697	5.4
137.13268	0.9
141.06940	1.4
143.08537	7.9
144.09299	1.4
145.10120	9.7
147.11679	6.6
149.13260	6.3
155.08594	2.8
156.09282	1.1
157.10144	8.3
159.04524	0.9
159.11714	11.8
161.09637	3.0
161.13271	16.2
163.14825	6.1
169.10138	4.0
171.11702	6.0
173.13269	9.3
175.14839	5.2
183.11694	3.4
185.13297	6.9
187.14812	6.3
189.16403	1.6
195.11736	1.0
197.13283	3.5
199.14836	11.6
201.16397	6.7
209.13339	1.1
211.14786	2.7
213.16420	8.1
215.17984	3.5
225.16330	3.0
227.17947	7.6
239.17993	5.5
241.19551	3.5
253.19554	5.7
267.20984	7.4
280.05750	1.0
280.21985	1.0
281.22479	2.1
295.24429	1.1
307.79190	0.8
321.05905	0.9
323.07404	5.0
323.27341	100.0
324.08591	1.0
324.27814	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0868
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
55.05440	0.6
58.71562	0.5
59.38568	0.5
59.49007	0.5
67.05423	1.1
71.01927	1.2
79.05415	0.9
81.06939	1.5
81.07369	0.6
89.78350	0.5
91.05377	1.7
93.06938	1.5
95.04826	1.6
95.08498	1.5
105.06907	2.9
107.08488	0.8
117.06905	1.6
117.39285	0.5
119.08582	2.7
121.10065	0.7
129.06900	1.5
131.08560	2.4
132.04396	0.7
133.10049	0.8
141.06879	1.9
142.07706	1.0
143.08548	2.7
145.06395	0.7
145.09999	1.5
147.07962	1.1
149.05905	0.5
149.09502	1.0
151.07414	0.5
153.05695	0.7
153.06894	0.8
154.06552	2.3
155.07196	2.1
155.08438	3.1
157.10138	3.4
159.11581	1.7
163.07454	0.6
165.06912	1.2
165.09129	1.2
167.07294	3.3
168.09314	2.1
171.11440	0.5
173.13237	2.8
176.06088	0.7
177.06999	6.9
178.04977	1.0
178.07713	1.0
179.07190	2.0
179.08516	1.7
181.05151	1.2
182.06004	3.0
183.11708	6.7
185.09601	0.6
185.13120	0.7
187.06221	1.6
187.11067	0.6
189.06914	2.1
189.08745	0.5
191.10568	0.8
192.08023	0.7
195.06714	1.6
199.11089	0.7
201.12762	10.2
205.06500	32.3
206.04292	0.7
206.06047	1.1
207.08173	2.6
210.05396	0.8
210.09053	0.7
211.11189	1.7
217.06534	0.9
219.04443	0.6
219.13681	1.1
220.05437	0.6
220.07417	1.1
221.05994	0.8
221.08221	1.0
222.05431	4.8
223.06264	21.8
224.06522	0.7
229.12248	11.9
233.05991	21.7
234.03606	0.6
234.05679	1.5
235.07564	44.6
236.07214	1.8
237.05423	1.3
237.09381	0.6
238.08606	8.7
245.05962	0.9
247.13342	15.7
249.05580	0.8
249.07997	1.1
250.04985	0.7
251.05675	6.1
253.07289	1.3
263.07047	72.6
264.07281	1.7
265.07410	2.1
265.14389	1.9
266.08136	100.0
267.08743	2.5
280.06061	0.7
281.06845	2.1
289.14395	2.2
293.08087	99.7
294.07681	7.6
295.05936	4.6
296.09265	1.3
307.15485	0.7
309.06177	0.8
309.10297	0.6
324.08740	91.1
324.12396	18.2
325.09149	2.1
325.12756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80604	1.2
69.03442	2.2
76.77961	1.5
81.07076	1.9
91.05494	2.5
91.82293	1.3
102.53692	1.3
105.07052	2.6
105.89474	1.1
107.04962	28.0
107.08621	1.9
109.10081	1.2
115.05454	1.5
117.07026	1.5
118.06563	4.2
119.04921	6.6
121.02895	2.4
121.06529	2.8
121.10159	2.3
122.06030	6.8
128.06258	1.7
129.06993	7.8
130.06538	11.9
131.04973	3.2
132.08089	8.2
133.10213	1.4
134.06036	7.4
136.07643	7.0
143.07312	1.9
144.08093	90.6
145.06493	3.1
146.06010	9.2
148.07587	3.0
154.06516	2.7
156.08095	25.0
157.08846	1.6
158.09679	6.0
160.07587	10.0
164.44768	1.3
166.06456	2.8
167.07330	46.3
168.08121	6.3
173.10732	5.0
179.45631	1.3
180.06572	24.1
184.07535	2.6
188.07024	7.4
200.07216	1.7
202.08638	25.8
217.08882	2.6
231.07948	1.5
232.11163	2.1
235.09908	1.8
236.10957	3.1
241.08891	8.8
242.09660	8.3
246.09180	27.3
247.09927	8.5
248.10680	3.0
250.12361	6.3
259.09918	4.7
260.10727	100.0
261.11319	3.1
262.12228	3.0
270.09109	1.8
288.10101	6.9
305.17087	1.5
306.11240	63.0
309.06436	2.5
323.07870	2.3
323.13977	22.0
323.24344	1.7
324.08765	6.2
324.12119	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	323.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01862	2.4
55.05510	1.4
55.69911	0.9
57.03433	1.8
58.54894	0.9
59.45299	1.0
65.03941	2.4
67.05491	3.6
68.05006	1.5
68.99786	2.8
69.02026	0.9
69.03437	5.4
70.06596	10.7
70.15786	4.4
71.01390	1.2
71.04990	1.1
73.23780	0.9
79.05478	3.6
81.03410	2.5
81.07057	1.0
83.04975	3.4
85.02909	4.5
91.05490	3.6
91.10706	0.9
93.03397	2.1
95.04998	5.0
97.02885	10.7
98.97585	2.7
99.04454	3.4
107.04945	3.0
108.90364	1.0
109.02878	2.5
111.00826	1.2
111.04459	7.1
112.07609	2.8
114.05536	27.2
114.09145	2.1
115.09519	2.1
119.04952	2.0
121.02872	1.4
121.06496	1.6
123.04440	5.0
123.05548	14.4
127.03921	5.4
128.06264	1.3
135.04417	3.6
135.05423	1.8
137.02370	1.1
137.05965	2.3
139.03908	30.1
141.07005	3.9
143.08563	1.7
145.06471	1.8
149.02342	1.5
149.05966	1.6
151.03908	9.3
151.07547	19.6
157.06496	3.3
158.09596	1.2
159.04411	2.5
160.09741	1.9
162.05539	3.2
163.03940	6.2
168.10211	21.2
169.04993	1.7
169.06487	2.9
171.08038	2.5
173.06099	1.0
175.07541	1.3
175.09901	2.3
177.05522	2.4
177.07854	1.3
179.03387	3.1
180.07669	5.1
181.04976	8.2
185.05861	2.4
186.09151	1.4
188.06950	1.2
188.10765	1.3
189.05481	1.6
189.09070	2.6
192.10243	2.0
201.05591	1.1
201.09137	9.1
203.03897	1.2
203.09398	50.2
212.04678	2.7
213.05455	2.3
214.08661	1.8
215.07016	1.8
216.10291	7.5
218.11775	100.0
219.12091	1.4
230.10464	1.4
231.06514	2.1
231.08910	3.2
233.08180	1.4
240.04237	2.9
241.04947	1.6
243.06490	3.6
245.12924	7.7
246.11284	18.6
259.06113	2.6
259.14447	24.2
261.07553	3.4
263.13928	2.3
264.12375	3.0
269.04498	13.7
277.15491	88.3
278.15869	1.9
287.05573	10.2
305.06522	3.9
305.14969	1.7
323.07755	3.0
323.12161	8.8
323.16000	87.1
324.14194	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	323.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
54.03460	0.5
55.01875	1.6
55.05516	0.8
56.96565	1.5
57.03439	1.9
57.07053	0.5
58.02964	0.6
58.80711	0.4
59.04990	0.5
59.16101	0.5
59.68162	0.4
60.92795	0.4
61.02909	0.8
67.05497	1.5
69.03432	3.8
69.07086	0.9
69.45911	0.4
70.06594	1.2
70.42612	1.3
73.02929	2.7
75.73111	0.4
79.05485	1.5
80.05029	4.9
81.03431	1.5
81.04490	0.4
82.02939	0.7
83.04983	1.5
84.04535	0.6
84.08147	1.3
85.02917	4.3
85.06514	0.5
87.04492	0.6
91.05466	0.8
95.04954	1.2
97.02916	5.2
98.97587	5.7
99.04474	1.0
100.03977	1.3
100.06664	0.4
101.00907	0.7
101.02382	0.4
105.07040	0.6
107.04955	1.5
109.02888	1.3
110.97598	0.4
111.04444	1.8
112.99129	0.5
114.09155	1.3
115.09433	0.4
116.98602	3.0
119.01937	2.5
119.04948	0.6
123.05563	100.0
124.05868	0.7
126.03709	0.4
127.03950	2.2
128.98640	0.6
131.01920	1.2
131.04926	0.5
135.04547	0.6
135.05540	10.5
137.05980	1.3
139.03915	7.5
141.06645	0.6
143.00175	0.7
143.01904	2.4
144.04797	1.8
145.04965	0.7
151.03900	2.2
151.05040	3.5
151.07585	0.5
158.99672	2.5
161.01311	0.5
161.02977	4.4
161.04623	1.2
162.05510	1.4
163.03859	1.6
163.05070	1.7
165.05386	0.5
167.01921	0.6
170.99632	0.8
173.02979	1.3
177.00766	2.5
177.05397	0.5
178.96506	0.7
179.03429	0.8
180.07698	32.3
181.04976	1.6
185.02936	3.1
189.00706	0.5
191.03949	0.5
197.03070	0.7
198.08752	2.0
201.05588	0.7
203.04024	2.0
212.04683	0.9
215.06892	0.7
218.11847	1.3
219.01836	1.7
220.02138	0.6
233.06741	1.4
237.02771	1.6
240.04063	0.8
242.07306	0.7
243.06633	0.9
256.58688	0.4
257.41650	0.5
259.06110	1.0
261.07623	1.3
262.03528	0.4
265.05920	1.5
266.06287	0.8
269.04468	2.9
274.88977	0.5
277.15524	0.8
287.05643	2.3
305.06628	1.2
305.11349	0.7
310.46060	0.5
323.08560	0.9
323.11786	23.7
323.15640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0916
Annotation	Millettocalyxin C
Peak:m/z	Relative Intensity
55.05511	0.6
67.05516	0.6
69.03456	0.6
69.07100	0.6
69.28765	1.4
69.29185	2.5
79.05522	0.5
81.07082	1.0
85.06528	0.5
91.05483	3.9
94.97839	0.4
95.08599	0.9
105.07064	0.5
107.08627	0.6
109.10187	0.5
117.62944	0.5
119.08582	0.6
121.10131	0.5
133.10117	0.8
137.05991	0.5
140.06087	0.4
152.06227	0.8
153.06992	1.0
164.06209	0.8
165.07004	2.7
166.07750	3.1
168.05751	1.0
176.06311	1.7
177.07019	3.3
178.07771	4.7
179.03427	0.5
179.08580	10.3
181.06508	1.0
181.10098	0.5
189.07014	5.8
190.07811	2.3
191.07060	0.4
191.08554	2.6
192.05724	4.0
193.06511	1.8
194.07283	4.4
195.08112	1.0
204.05795	0.9
205.06488	8.3
206.07274	2.6
207.08080	23.8
209.09616	0.7
210.06979	0.6
217.06459	2.1
218.07280	1.0
219.08128	2.8
220.05209	8.8
221.05984	4.2
222.06773	7.4
223.07594	1.5
232.05247	0.8
233.06036	3.1
234.06830	1.6
235.07564	32.1
236.04695	2.2
236.08212	1.0
237.05457	0.7
237.09154	2.4
238.06273	1.9
240.71478	0.5
247.07574	3.4
248.04781	1.5
249.05482	7.6
250.06264	15.0
251.07013	3.9
261.05563	1.7
262.06277	1.4
263.07043	7.8
264.04327	1.2
264.07883	2.6
265.08633	35.5
266.08762	0.8
275.07013	0.7
277.04971	4.1
278.05750	13.6
279.06604	1.8
280.07474	0.7
291.06519	1.6
292.07324	8.9
293.08109	53.2
294.08420	1.2
307.06085	2.5
308.06842	16.8
320.44595	0.5
323.09201	100.0
324.09045	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1497
Annotation	Salbostatin
Peak:m/z	Relative Intensity
50.75607	0.7
57.03441	0.8
61.02933	1.5
62.42052	0.6
68.05017	1.5
69.03435	6.6
70.06596	16.8
71.55513	0.8
73.02934	0.9
79.05484	1.5
81.03432	2.0
81.05809	1.6
85.02911	15.3
87.04495	0.8
88.03987	1.0
93.39553	0.7
94.06584	4.9
96.08138	36.4
97.02895	3.6
99.04459	0.6
109.02885	1.1
112.07607	2.6
114.09174	100.0
119.01942	1.1
127.03936	1.5
141.06682	1.0
142.08644	38.8
143.01898	1.9
145.04944	1.1
155.01956	1.1
158.08112	0.9
160.09702	93.3
161.02940	2.0
167.01884	0.7
173.03008	1.4
181.92381	0.7
185.02968	1.8
203.04042	0.9
215.35808	0.6
268.11829	1.6
286.12808	3.0
304.13910	10.5
322.11725	28.1
322.14969	94.1
323.07797	0.8
323.11743	1.0
323.15155	1.3
330.83380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50312	3.2
62.24591	3.0
70.06591	4.7
70.15669	8.5
70.16074	7.5
73.19920	2.8
85.02932	3.4
96.08146	8.3
97.08465	5.8
101.00886	30.5
113.00852	3.3
114.09158	21.0
115.09483	12.6
119.01917	36.7
131.01901	9.1
137.02983	3.8
142.08615	6.1
143.01907	66.9
143.08963	6.0
145.03487	19.7
155.01930	25.8
157.03474	9.4
157.92101	3.0
160.09700	10.9
161.02974	75.8
161.04306	3.6
161.10110	13.9
161.11160	2.7
163.04524	3.3
167.01924	33.0
168.21875	2.7
169.03409	4.7
171.75629	3.3
173.02982	35.0
185.02971	100.0
191.03949	5.7
197.02936	7.2
200.24129	3.2
203.04024	49.4
206.49275	3.0
215.03987	8.9
227.04016	8.5
233.05165	9.2
245.04958	6.9
251.06140	6.2
263.06131	3.7
281.07193	27.7
293.07254	4.2
323.07678	67.5
323.15280	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.5
69.03434	3.2
69.93414	3.1
69.93829	5.2
70.06586	4.5
71.06951	1.6
73.55866	1.4
82.99870	4.5
84.04503	2.4
84.08143	6.4
85.02905	7.0
87.04475	1.7
96.08141	5.3
97.02887	5.6
97.08465	2.9
98.97565	2.4
99.30421	1.6
101.00885	28.7
109.02840	2.5
113.00877	4.6
114.09152	11.3
115.02442	1.6
115.09518	10.8
119.01923	47.4
127.02428	2.9
127.03949	2.5
131.01913	11.3
135.03229	2.4
137.02953	3.3
139.02338	2.1
139.03912	5.0
142.08633	4.3
143.01904	86.9
143.08951	5.4
145.03474	18.7
154.04962	1.5
155.01894	33.6
157.03471	14.2
160.09711	21.5
161.02966	100.0
161.10060	17.6
163.04428	2.4
167.01906	38.5
169.03384	2.7
169.85635	1.7
173.02977	50.3
175.04527	7.0
179.01907	2.6
184.04526	2.6
185.02962	92.1
186.03206	1.7
187.04570	3.2
191.04013	5.8
196.04469	1.7
197.03047	10.3
199.04558	2.4
203.04022	50.2
208.04417	1.8
215.04025	10.3
221.05113	4.8
223.04652	1.8
227.04021	10.5
233.05060	14.2
245.04985	12.1
251.06006	7.3
259.16599	1.8
263.06131	6.0
281.07175	29.4
293.07184	6.0
305.06894	2.9
323.08060	37.9
323.15259	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	322.1288
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03981	0.7
55.01903	1.2
55.05539	0.8
57.03460	1.9
61.02938	4.2
69.03433	12.5
70.06623	2.1
70.31844	1.7
71.05002	0.8
73.02936	3.8
79.05543	1.0
80.05043	0.8
81.03430	3.1
81.07059	0.6
83.05019	0.8
84.08168	0.9
85.02911	14.6
85.93466	0.7
87.04507	2.8
91.03973	1.2
91.05517	1.5
94.06579	1.1
96.08139	6.0
97.02903	7.2
98.00684	0.6
99.04498	2.5
101.02412	1.0
103.03996	0.6
105.07057	0.8
107.04964	0.8
109.02910	1.8
112.07635	0.9
114.09174	21.4
115.05457	3.6
117.05754	1.3
117.07027	0.8
123.04442	0.8
124.02182	0.9
127.03892	3.0
130.06512	4.6
132.08116	8.6
137.05989	6.1
139.03935	3.0
142.03296	3.7
142.06531	34.9
142.08676	5.2
143.07326	9.1
143.84494	0.7
144.08099	16.3
145.04933	0.8
145.69489	0.7
151.03940	1.4
151.07556	0.9
155.06033	0.8
158.06044	3.4
159.06845	1.4
160.04410	3.1
160.07594	97.5
160.09535	10.0
161.07932	1.5
172.07620	1.4
181.04788	0.7
192.10181	0.9
202.08659	2.2
258.13138	0.9
262.10529	0.8
269.04443	1.6
286.12866	1.4
287.05475	0.8
304.14172	4.1
305.06442	0.7
322.12653	100.0
323.12750	1.9
326.12708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.0
69.62168	2.0
69.62572	0.9
73.23357	0.3
81.03377	0.4
85.02911	0.5
98.97602	4.1
101.00912	0.9
116.98660	2.6
119.01942	3.2
120.01958	0.4
134.99725	1.1
137.02940	0.7
158.99881	0.9
159.24464	0.4
160.04491	0.4
165.04300	0.4
177.00972	12.8
178.01082	0.9
179.00758	0.5
182.99963	1.3
201.00960	6.4
214.96565	2.8
219.02031	100.0
220.02136	4.4
221.02299	0.8
230.62714	0.4
233.03592	1.0
236.99649	1.0
238.95590	0.9
242.03603	5.0
251.00726	0.5
256.41504	0.4
256.97565	16.1
257.97961	0.4
258.97165	0.4
258.99939	0.8
261.03076	1.5
262.95483	0.5
263.02930	0.4
274.94238	1.5
274.97748	2.0
276.04947	0.6
277.00739	0.9
279.98328	1.3
280.96747	1.9
293.40491	0.4
298.18790	0.5
298.97821	40.0
299.18832	1.1
299.98044	1.5
312.99475	0.5
316.95648	0.6
316.98944	1.2
321.99310	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	322.0711
Annotation	Oxocompostelline
Peak:m/z	Relative Intensity
58.93225	0.3
66.58486	0.3
81.55585	0.3
95.75915	0.3
119.81609	0.3
206.06059	0.5
221.04767	0.6
222.05510	0.6
230.77675	0.3
234.05522	0.7
236.07166	0.4
250.05037	1.7
251.05812	0.6
264.06607	1.2
279.05286	34.7
280.05621	0.7
292.06039	1.4
295.05743	0.4
302.06647	0.3
307.04764	41.6
308.05078	0.8
321.06470	0.9
322.07111	100.0
323.07370	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	321.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05518	4.5
57.07059	1.1
62.05830	0.6
62.06100	6.5
62.94242	0.5
65.03938	0.8
65.66402	0.4
67.05169	0.7
67.05511	9.7
69.06773	0.6
69.07078	5.9
71.55960	0.7
71.56379	0.6
79.05049	0.7
79.05497	8.7
81.07063	17.3
82.07364	0.5
83.08620	2.7
84.40097	0.4
91.05490	9.2
93.07054	12.1
95.04977	1.3
95.08618	14.9
97.10157	1.6
105.07038	18.3
107.08611	13.8
109.06553	0.7
109.10163	7.6
112.73819	0.4
115.05473	1.3
116.06260	0.5
117.07050	4.8
119.08590	15.8
121.10156	9.9
123.11702	3.1
128.06238	1.6
129.07034	4.4
130.07816	1.0
131.07590	0.6
131.08580	11.9
133.10144	7.0
134.10400	0.4
135.11696	3.7
137.13217	0.7
141.07002	2.1
142.07788	3.2
143.08560	9.9
144.09352	0.6
145.10127	11.1
147.07993	0.5
147.11722	5.5
149.13280	3.7
153.07028	1.0
154.07782	0.7
155.08588	7.2
156.09354	2.1
157.10138	13.7
159.11719	11.1
161.13289	5.9
163.14853	3.4
165.06989	1.4
167.08562	2.7
168.09332	1.1
169.10129	7.9
170.10973	0.7
171.11703	8.9
173.13280	6.7
175.14848	3.8
177.16402	1.0
179.08574	1.1
180.09406	1.1
181.10149	5.7
182.10910	2.3
183.11716	8.7
184.12453	0.6
185.13252	6.2
187.14822	3.2
189.16359	0.8
193.10162	1.1
194.10910	1.0
195.11711	6.3
196.12454	1.1
197.13277	9.6
198.13905	0.6
199.14845	7.1
201.16351	2.2
203.17949	2.3
207.11707	1.6
208.12492	0.9
209.13281	8.1
210.13986	0.5
211.14838	7.1
213.16382	5.5
215.17990	1.1
219.11789	0.6
221.13257	1.3
222.13992	0.9
223.14828	5.4
225.16402	7.1
227.17950	3.6
229.19543	0.6
235.14847	1.2
236.15594	1.2
237.16425	7.2
238.16936	0.6
239.14142	0.6
239.17970	5.4
240.18808	1.0
241.19606	0.9
249.16412	0.9
250.17271	1.0
251.17967	8.6
252.18600	1.6
253.19446	2.3
263.17957	0.7
265.19543	9.6
266.20087	0.5
275.17941	0.4
277.19559	0.9
278.20316	1.4
279.05179	0.6
279.21042	3.6
292.05954	0.9
292.22058	0.6
293.22632	1.7
303.23389	0.5
306.23438	0.8
307.04669	1.6
321.06024	4.9
321.25787	100.0
322.07147	5.8
322.26086	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
53.03962	0.7
55.01863	0.9
65.03935	0.5
66.54585	0.5
67.05502	1.3
68.99795	1.0
69.03424	0.8
69.07077	0.6
70.06588	0.8
71.55295	0.8
77.00626	1.3
79.05485	1.0
81.03411	0.9
83.04987	1.0
93.03404	0.6
93.07052	0.6
95.01655	3.6
95.04969	2.3
95.08635	0.6
97.02925	0.6
103.05450	1.2
107.04950	2.3
107.08571	0.7
109.06577	0.7
110.03664	2.7
111.04453	2.0
121.02830	0.6
121.06507	0.7
123.04480	0.8
127.03916	0.8
131.04933	2.0
133.02844	1.9
135.04414	3.4
137.05977	0.9
138.03133	5.5
139.03912	47.2
145.02844	1.1
145.06747	1.7
147.04471	0.8
149.05984	2.3
150.48848	0.6
151.03941	1.6
153.05479	100.0
154.05812	0.8
157.77690	0.6
159.04443	2.4
163.03937	9.6
167.03409	0.9
173.06000	1.3
177.05487	4.3
183.06575	2.3
191.07080	0.8
195.06525	4.4
209.08037	3.5
215.11906	0.5
237.07613	0.9
303.08801	0.8
321.14890	0.7
321.19150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04510	0.4
68.05019	0.4
69.03439	0.6
70.06602	0.8
70.08647	1.5
80.67711	0.4
81.04527	0.5
85.02910	1.0
95.06082	0.8
96.08133	2.8
97.67283	0.4
111.05558	3.1
114.09162	6.0
123.05560	2.0
133.03506	0.9
141.06580	4.6
142.08644	3.1
147.05087	0.4
147.66240	0.4
159.05142	0.5
159.06505	0.6
159.07655	3.1
160.09695	5.5
171.04973	0.4
177.06029	0.4
219.07071	0.7
231.07132	0.7
245.05156	0.7
304.13885	0.9
321.11627	100.0
322.11774	1.4
322.15033	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	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
55.05518	1.9
55.93514	2.4
56.05024	1.7
56.96571	2.2
57.03437	2.9
60.04532	7.0
61.02919	2.7
67.05510	12.7
69.03423	10.3
69.07073	75.4
69.70588	5.2
69.70998	3.0
70.02945	3.8
70.06591	10.5
71.01351	1.5
72.08170	2.2
73.02946	1.6
74.06055	1.7
81.03423	5.4
82.06578	1.6
83.05001	2.3
84.04506	2.7
84.08139	5.2
85.02910	40.6
86.09698	12.7
87.05591	1.8
91.05477	1.9
94.06568	3.6
95.04961	12.3
95.81239	1.3
96.04487	3.1
97.02901	20.6
97.06548	3.0
98.06041	2.8
98.09680	1.6
98.21507	2.0
98.97570	4.4
99.04459	3.0
103.03969	1.9
109.02901	7.6
112.06832	2.0
112.07611	35.5
113.06040	2.0
113.09905	1.2
114.05608	1.6
116.07124	3.0
116.98618	1.9
119.04985	2.2
119.08604	1.7
125.02368	2.6
126.02683	2.9
126.05510	3.2
127.03922	7.5
128.98634	1.8
130.13002	1.1
131.04898	1.6
136.07603	2.1
137.05988	5.1
138.05481	1.9
139.03923	3.9
140.07069	47.8
141.05490	2.4
145.04942	3.2
151.07582	2.8
154.08604	2.8
157.04977	2.7
158.08136	100.0
158.99600	1.7
159.06580	2.9
159.09129	1.5
160.07491	1.9
173.12857	12.8
178.08672	1.9
181.06491	3.7
181.16731	1.3
182.08119	15.4
183.08118	1.8
192.10168	3.8
198.05542	1.9
200.09172	20.8
201.12273	3.1
203.95784	1.3
204.06490	2.5
209.05936	6.4
211.07542	5.0
214.04990	1.6
220.73518	1.5
224.09206	5.9
229.13377	3.6
239.07014	6.0
242.04436	6.6
257.08075	2.8
257.12921	2.8
266.10205	3.6
270.03952	3.2
285.12286	1.6
288.05060	7.3
302.10059	3.8
302.17163	1.6
303.08658	4.8
303.13354	3.5
320.07776	2.0
320.10999	10.5
320.14859	20.0
321.14554	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	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64155	0.8
63.62426	0.9
69.58363	5.0
69.58773	1.6
79.19914	0.9
85.02911	1.5
94.79171	0.8
95.06102	1.4
96.08122	1.2
98.67202	0.9
99.04485	0.9
111.05569	4.3
114.09185	2.7
115.06654	0.8
123.05586	2.9
133.03494	1.0
141.06584	5.4
142.08717	1.3
150.19991	0.7
159.06494	1.4
159.07707	4.7
160.09746	1.5
187.25246	0.8
218.72392	0.8
221.05214	1.0
231.07326	1.0
242.87752	0.9
245.05272	1.3
290.76376	0.9
311.42307	0.8
321.11676	100.0
322.15198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0555
Annotation	Cassameridine
Peak:m/z	Relative Intensity
68.27172	0.2
71.61996	0.2
78.06808	0.2
83.72694	0.2
117.78469	0.2
128.41875	0.2
154.32355	0.2
178.06517	0.8
204.04454	0.4
206.06052	0.8
210.05550	0.4
234.05527	8.3
235.06168	0.4
236.07062	0.7
238.04883	1.1
250.05096	0.4
262.05017	4.5
263.05789	0.9
264.03326	0.5
264.06589	1.9
266.04523	1.1
278.04425	0.7
290.01428	0.2
290.04477	5.8
291.05145	0.5
292.06055	2.3
294.04037	0.7
318.03934	0.3
320.05548	100.0
321.05832	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	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
56.04318	3.2
56.96558	10.7
57.03436	7.6
61.02914	4.1
67.05514	5.3
69.03437	15.6
69.07074	100.0
70.06582	11.7
71.05000	5.6
71.55280	3.8
72.02229	3.2
73.02915	5.0
81.03417	16.8
83.04956	4.2
84.08140	5.6
85.02428	5.5
85.02914	68.4
86.09699	8.1
90.94775	3.7
91.03900	3.8
94.06521	3.2
95.04952	3.3
96.04471	5.3
97.02906	23.8
98.06065	6.9
98.97595	21.7
99.04463	5.0
102.05553	3.8
109.02892	96.6
110.07162	6.1
112.07616	11.2
114.05505	7.7
116.98631	6.7
123.04443	4.5
127.03903	13.7
137.05994	9.3
138.09135	4.1
139.03905	8.5
140.07056	52.0
141.05481	92.7
145.04987	13.6
158.08141	75.2
158.99683	4.9
173.12804	3.6
182.08192	9.6
200.09116	3.8
207.06601	3.9
209.05800	3.9
234.98952	7.7
237.02797	7.0
258.13489	3.2
261.94968	3.5
278.02881	3.0
320.05350	4.4
320.11209	7.5
320.14755	4.1
321.08759	4.0
321.14438	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	319.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.9
57.07079	35.2
60.54856	4.9
67.05508	9.9
69.07062	17.4
70.03859	4.2
71.08646	7.7
71.55633	4.4
71.56140	5.8
79.05495	9.9
81.07063	26.0
83.05000	5.6
83.08642	5.1
85.10191	69.6
88.36082	4.6
89.06015	8.3
89.41910	4.2
91.05498	19.6
91.09577	4.6
93.07047	26.5
95.08620	38.1
105.07032	36.6
107.08613	30.3
109.10170	15.1
113.09657	100.0
117.07034	10.7
119.08596	50.6
121.10147	14.5
123.11708	11.0
131.08614	11.7
133.10149	25.2
135.11687	11.1
143.08594	7.0
145.10130	12.6
147.11699	20.2
149.13184	4.2
157.10127	8.0
159.11665	11.5
161.13229	12.9
169.10219	5.2
171.11649	6.3
173.13264	14.3
175.14848	6.0
185.13133	7.7
187.14836	18.2
189.16386	70.7
207.17461	11.2
234.05540	5.5
243.21188	10.2
251.17641	5.0
257.22720	12.1
259.24185	5.7
270.98843	4.9
283.24078	8.8
301.25150	30.9
319.12781	6.6
319.23630	10.9
319.26608	10.8
319.29828	7.9
320.05493	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.7
57.01176	0.7
57.03445	4.0
57.07076	0.9
59.04989	0.7
64.52712	0.9
67.05502	3.5
68.23856	0.8
69.03430	21.7
69.07073	6.6
69.60234	5.0
71.04996	5.1
79.05506	2.2
81.07071	6.9
83.04990	1.5
83.08614	1.4
85.06571	0.9
91.05499	3.7
93.07028	5.3
95.04978	2.7
95.08623	5.2
97.06525	0.8
97.10104	1.0
99.08111	9.9
105.07049	7.6
107.08595	7.4
109.06564	1.6
109.10155	6.1
113.09666	3.7
115.05495	1.0
117.07046	2.4
119.08586	4.8
121.06518	9.2
121.10138	2.1
123.11731	2.1
125.09642	23.7
127.07574	1.5
127.11191	7.0
131.08583	3.5
133.10135	4.1
135.04404	0.7
135.08060	14.5
135.11691	1.4
143.08566	1.5
145.10077	4.2
146.07280	1.6
147.08093	4.8
147.11693	2.4
149.09634	3.0
151.03952	1.0
151.11208	1.0
155.08603	1.0
155.10719	2.1
157.10153	3.0
158.07289	1.7
159.08087	4.6
159.11749	1.8
160.08815	1.3
161.09639	29.2
161.13264	1.6
163.11136	1.2
163.14792	0.8
169.10088	1.1
171.08099	1.5
171.11674	1.7
172.08929	1.1
173.09657	8.3
173.13345	1.2
175.11189	15.9
177.09100	0.9
178.06465	1.4
182.38991	0.8
185.09680	2.9
185.13258	1.1
187.11203	1.5
187.14758	0.9
189.12735	1.7
191.10712	1.6
192.57823	0.8
193.12395	0.9
193.15903	4.9
195.11618	1.0
197.13217	1.7
199.11252	6.4
201.12715	0.9
203.14328	24.5
206.05997	1.1
209.13214	1.1
211.16945	1.4
213.12729	2.1
213.16341	1.0
215.14313	18.1
227.14330	3.2
233.15370	1.4
234.05498	5.9
241.15828	1.4
243.17509	0.9
253.02911	1.0
255.17496	1.1
259.16876	0.9
259.20471	0.9
262.04974	4.3
264.06589	1.9
266.04492	1.3
273.18512	1.2
283.20596	7.0
290.04529	5.0
292.05957	2.4
301.14557	1.3
301.18002	1.8
301.21640	8.7
319.11792	2.6
319.19180	1.8
319.22842	4.3
320.05545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1027
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
54.79869	1.3
55.01852	1.1
56.96562	3.7
57.03434	1.5
57.44003	1.1
61.02930	2.4
61.97221	1.1
67.05497	2.8
67.93218	1.2
69.03426	7.5
69.07068	4.8
70.06591	2.4
70.86246	1.3
71.04994	2.1
71.54440	2.1
72.08160	1.8
73.02916	1.9
81.03427	3.3
81.07051	1.4
85.02912	15.8
86.09702	2.6
87.10017	1.4
91.05509	1.5
95.04948	1.8
95.56198	1.6
97.02899	29.1
97.06587	1.5
98.97595	2.8
103.05464	1.3
109.02880	3.1
110.07170	2.3
111.04472	6.4
112.07584	2.1
115.05432	2.2
116.98605	2.8
125.02362	97.0
127.03918	3.8
131.04918	2.7
134.99620	1.6
139.03900	8.0
140.07082	1.6
141.07039	1.1
145.04935	2.0
151.03920	3.1
157.04974	100.0
158.08171	2.2
158.97417	2.5
158.99535	2.0
159.09241	1.3
162.96973	1.3
163.03947	2.0
176.98558	1.7
177.00665	1.3
178.08565	1.3
196.06148	1.5
207.10201	1.3
234.99078	3.1
237.02927	2.2
238.07820	1.9
287.05441	3.6
288.04892	1.5
301.11914	1.6
319.07571	1.5
319.13254	10.7
323.10452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03949	0.9
55.01881	1.6
55.05507	5.4
56.53473	1.1
57.07059	3.5
59.04986	1.5
63.37581	1.0
65.03935	1.7
67.05515	12.0
69.03416	4.8
69.07067	14.6
69.39342	6.1
69.39758	2.5
71.04986	1.5
73.39496	1.1
76.26520	1.0
77.33043	1.0
79.05492	7.1
81.03311	0.9
81.07059	20.8
81.34278	1.2
83.04996	2.7
83.08615	3.9
85.06532	5.0
87.04443	1.1
91.05476	7.9
92.76379	1.0
93.07045	11.2
95.04952	7.1
95.08057	1.7
95.08607	21.6
97.06500	2.9
97.10167	1.3
103.05486	1.4
105.07031	14.3
107.08601	19.0
109.02882	1.3
109.06511	7.3
109.10158	17.0
110.10533	1.1
111.04446	2.1
111.08083	2.7
117.07023	2.1
119.08580	19.2
121.06512	5.0
121.10155	16.4
123.08075	5.7
123.11702	14.9
125.06002	1.4
125.09650	2.8
128.06252	1.4
129.07021	1.8
131.08575	5.7
133.06503	1.3
133.10155	14.4
135.08058	7.7
135.11696	11.0
137.06000	5.4
137.09592	4.3
137.13246	4.3
139.07492	1.3
142.07782	1.7
143.08595	5.3
144.09407	1.1
145.06413	1.7
145.10138	10.4
147.08083	5.1
147.11674	11.0
149.05995	1.9
149.09637	4.3
149.13246	4.7
151.07584	1.6
151.11165	2.8
155.08583	2.2
156.09343	1.8
157.10135	8.4
159.08125	2.6
159.11714	10.9
161.09633	4.7
161.13275	12.0
163.07527	2.0
163.11134	3.2
165.09042	1.7
165.12794	2.2
169.08548	1.2
169.10077	2.6
171.08148	1.3
171.11688	5.8
173.09612	2.7
173.13295	6.9
175.07550	1.9
175.11143	6.9
175.14824	5.5
177.09108	1.7
177.12708	4.0
177.16412	2.1
179.10606	1.2
183.11630	1.7
185.09651	1.9
185.13268	4.5
187.11168	2.2
187.14830	3.3
189.09071	1.3
189.12769	4.8
189.16435	3.1
191.07047	3.4
191.14339	3.0
195.11696	2.3
197.13255	3.1
199.11163	1.6
199.14816	4.1
201.12685	2.3
201.16396	3.8
203.07045	2.7
203.14310	5.0
205.15942	3.4
207.11758	1.3
209.13362	1.6
211.14859	1.7
213.12675	1.5
213.16409	3.6
215.18008	1.7
217.15936	3.6
219.13942	1.2
223.14899	1.1
225.16330	1.4
227.14268	1.9
227.17993	1.6
229.04962	3.0
231.13799	2.6
231.17543	1.4
231.21111	2.5
234.05551	6.4
241.15852	1.9
241.19444	6.8
243.17439	2.4
245.15503	2.1
245.18929	1.4
255.17342	3.0
255.21078	3.0
257.15366	1.7
259.17194	8.7
259.20566	21.6
261.18457	1.9
262.04938	3.4
263.05988	1.2
264.06573	2.5
265.19565	2.3
273.18677	2.4
273.22159	4.4
275.19888	1.6
283.17075	2.3
283.20544	8.1
290.04596	5.4
292.05832	2.2
301.17978	8.4
301.21594	22.8
319.11688	5.3
319.15509	3.9
319.18942	9.2
319.22650	28.5
320.05542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
55.01875	3.1
57.03443	4.6
60.56691	2.0
61.02932	13.5
69.03441	20.5
70.70822	6.5
71.04984	7.3
72.08089	2.0
73.02901	3.8
74.10795	2.0
78.94855	2.2
79.65044	2.3
81.03436	7.2
84.04455	2.5
85.02914	100.0
86.09725	4.7
87.04502	3.8
91.03956	6.8
93.07048	5.3
97.02908	27.9
99.04485	4.8
109.02892	9.5
121.06522	70.3
127.03933	19.2
132.95862	2.1
134.08189	2.1
138.05522	2.5
138.09161	10.3
140.07060	2.8
143.27507	2.4
145.04982	35.4
156.10223	18.6
157.06419	2.6
158.97444	2.4
159.07938	2.0
163.06110	4.0
164.06425	2.0
180.08681	17.9
187.07571	12.2
201.12480	3.5
201.28046	2.0
205.08556	9.4
229.08553	3.3
234.98833	2.2
247.09727	2.7
314.39050	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01855	0.6
55.05500	0.8
55.09791	0.3
57.03434	1.2
61.02917	1.2
67.05477	0.4
69.03430	3.2
69.07060	1.0
69.68430	0.6
69.68846	1.4
71.04984	0.3
73.02913	0.6
81.03420	1.5
82.06583	0.9
83.04957	0.4
85.02906	7.2
85.03384	0.3
86.09696	0.8
87.04465	0.5
91.03931	0.6
91.05450	0.4
93.07031	1.3
95.08595	1.7
96.04496	3.3
96.08133	2.3
97.02897	3.1
97.05267	2.4
97.06509	1.0
99.04476	0.4
100.07617	0.9
106.70645	0.3
108.08125	0.5
109.02884	1.1
109.06512	0.8
110.06046	5.4
110.09684	4.2
111.08075	1.0
120.08103	0.8
121.06487	0.8
125.08359	0.9
126.09158	8.3
127.03917	1.3
128.10751	0.3
138.09143	21.2
139.07559	1.5
139.09482	0.3
145.04948	0.8
152.10756	0.7
156.10202	100.0
157.10539	0.9
166.05821	0.5
168.10219	0.9
180.10211	0.7
198.11285	1.0
222.11250	0.5
247.68968	0.3
258.29291	0.3
318.15469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.9
55.01867	4.0
55.05270	5.5
55.05518	78.4
57.07081	4.6
67.05518	24.6
69.07071	62.9
71.05005	4.2
79.05502	18.8
81.07060	41.0
83.04980	5.3
83.08620	100.0
91.05485	47.0
93.07041	47.1
95.04967	12.7
95.08614	69.3
97.02885	5.9
97.10164	5.4
100.86095	3.3
105.06388	7.3
105.07039	72.3
107.08591	47.6
109.06512	10.6
109.10146	25.9
111.08109	18.5
113.09632	14.6
114.59753	3.4
117.07034	27.1
119.05004	5.6
119.08586	57.8
121.06497	3.5
121.10151	29.9
123.08083	8.3
123.11700	8.3
128.06177	4.6
129.07014	11.3
131.08585	31.1
133.06485	4.9
133.10132	53.5
134.72968	4.1
135.08057	15.5
135.11714	19.1
137.06000	5.2
137.09656	5.3
139.11189	4.7
143.08556	10.1
145.10117	36.7
147.11696	27.6
149.09602	11.7
149.13284	5.6
151.07581	3.4
153.01816	4.0
155.08507	9.0
157.10156	16.4
158.65617	3.7
159.11659	20.1
161.09608	7.3
161.13275	24.9
163.11214	4.4
163.14909	4.5
169.10120	8.0
171.11739	16.0
173.09669	6.8
173.13280	32.9
175.11169	7.8
175.14873	4.3
177.09122	5.4
183.11684	6.5
185.13284	7.8
187.14822	35.8
189.09323	3.8
189.12807	6.5
189.16371	33.4
191.14403	6.4
195.11697	4.7
197.13301	9.9
199.14795	6.6
201.12735	5.4
201.16380	9.4
203.17908	7.1
205.15912	17.7
211.14888	7.1
213.16333	7.0
215.14262	9.6
225.16287	3.9
227.17964	3.6
229.15889	8.3
230.16371	5.7
231.16681	4.1
233.15363	9.3
241.19255	5.5
243.13866	6.8
253.19479	8.1
255.21062	5.3
257.22522	9.3
259.16940	6.0
261.18427	4.2
271.20593	14.9
275.23755	6.1
281.22717	7.3
299.20065	24.6
299.23709	23.1
302.04367	7.5
317.06552	27.8
317.17474	5.8
317.21021	81.5
317.24750	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01868	1.3
55.05499	1.5
56.96560	1.9
57.03428	2.2
59.04978	0.8
61.02934	3.2
65.03939	0.9
65.47285	0.5
67.05507	4.6
68.05024	2.3
69.03434	11.2
69.07063	1.4
70.06579	2.6
70.28136	0.6
71.05005	0.9
71.56901	1.0
72.04508	1.0
72.08160	5.7
73.02908	2.4
81.03430	3.8
83.04977	0.7
84.04523	3.9
84.08141	2.4
85.02910	24.3
85.06557	0.8
86.09219	1.1
86.09712	18.7
87.04486	3.2
91.03957	1.1
91.05490	1.3
93.03375	0.6
94.06557	1.1
95.04971	2.0
96.04501	28.5
96.71588	0.6
97.02894	12.2
98.97617	3.2
99.04453	1.8
101.02386	0.7
102.05530	2.3
103.03950	0.9
105.07010	0.6
107.04922	0.7
109.02890	3.6
110.06042	2.0
110.07165	1.5
111.01993	0.6
111.04445	4.5
114.05544	2.2
116.98625	1.1
120.04458	0.6
121.06516	0.9
122.05994	1.2
124.07603	0.8
125.02391	1.6
127.03916	6.0
127.08675	0.6
129.10248	1.0
132.10226	0.8
134.99644	0.9
135.04434	0.6
138.05510	46.7
138.09138	1.1
139.03922	7.5
139.06308	1.3
140.07048	0.6
143.11842	3.0
145.04987	3.0
147.04468	0.7
148.06047	1.8
151.07605	0.7
156.06564	100.0
156.10197	2.4
157.04950	1.6
157.13446	1.2
158.04523	0.7
158.99663	1.0
159.07793	0.6
161.04694	0.7
163.03949	1.8
165.05556	0.8
171.06540	3.8
171.11407	0.8
177.00757	0.8
180.06583	4.9
185.16565	4.2
197.12929	2.6
198.07683	1.7
201.00697	0.6
201.12387	0.7
204.06696	1.0
206.49214	0.6
213.15976	1.9
215.13995	0.7
219.01913	1.2
234.99045	1.7
237.02885	1.9
237.07167	1.0
238.75095	0.7
276.10806	1.1
298.38602	0.6
301.11520	0.8
318.06509	1.6
318.11917	17.3
318.16187	0.9
319.12860	1.2
321.08600	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2478
Annotation	17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one
Peak:m/z	Relative Intensity
51.46618	1.7
53.03952	1.9
55.05519	8.3
57.07081	27.6
57.57761	1.7
61.99902	1.7
66.80234	1.7
67.05515	14.8
68.28828	1.8
69.03419	1.8
69.07072	14.9
70.52277	1.8
71.05008	2.7
71.08640	2.4
71.55379	2.3
79.05499	14.6
81.07066	32.2
83.05009	5.1
83.08635	5.1
85.06543	2.2
85.10191	65.8
91.05487	25.2
92.02671	2.6
93.07048	20.0
95.04994	7.4
95.08622	31.3
97.06543	4.1
98.10731	1.9
98.97291	1.7
99.08104	2.8
103.05450	2.5
105.07033	37.4
105.07674	2.8
107.08609	15.8
109.06518	13.2
109.10165	8.8
111.08082	2.2
113.09651	64.5
115.05474	3.9
116.06254	2.3
117.07022	25.4
119.04993	2.7
119.08595	33.3
119.56474	2.0
121.06544	5.2
121.10136	11.7
123.08098	11.8
123.11732	3.5
129.07031	10.3
130.07825	4.3
131.04947	3.1
131.08574	31.9
131.09509	2.8
133.06531	3.9
133.10147	17.6
133.84393	1.7
135.08055	17.0
135.11751	5.4
137.06018	2.7
137.09686	2.3
141.07059	3.2
142.07820	4.1
143.08585	14.4
144.09377	3.9
145.06509	3.2
145.10133	43.3
147.08067	9.1
147.11708	12.0
149.09671	5.7
149.13313	3.3
151.11209	2.1
151.14886	3.0
153.01910	3.7
155.08585	9.3
156.09389	3.0
157.10133	16.0
158.10957	3.7
159.08095	4.4
159.11722	18.6
160.08870	3.7
161.09610	16.7
161.13327	6.9
163.14839	2.1
167.08652	2.2
169.10181	12.1
171.11679	11.3
172.12515	2.5
173.09706	5.8
173.13286	28.7
175.09962	2.0
175.11177	9.6
175.14803	2.1
181.10158	3.4
183.11725	9.1
185.13330	8.8
187.11293	6.9
187.14838	64.4
193.10132	2.2
193.15865	10.7
195.11739	2.7
197.13307	6.6
199.11378	1.9
199.14914	2.7
201.12749	2.3
201.16461	2.9
203.14496	2.9
205.15866	16.2
207.11702	2.4
209.13318	2.7
211.14919	6.1
213.16483	2.8
215.14417	2.9
215.18076	3.4
217.15956	4.2
221.13197	2.4
225.12932	2.1
225.16504	5.3
229.04976	2.5
229.12376	2.2
229.16000	6.2
229.96497	1.9
231.17451	33.8
233.11705	2.4
233.19130	3.4
235.15038	3.2
243.17644	5.8
253.16006	5.4
255.21098	3.4
257.15317	2.6
257.22766	4.9
261.16455	2.5
271.17133	8.6
271.20569	3.0
274.04834	2.5
275.23843	8.1
281.22842	5.3
299.16592	6.2
299.20221	5.6
299.23657	30.7
302.04422	8.8
317.06647	23.0
317.17694	31.4
317.22162	5.9
317.24924	100.0
318.25351	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	317.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01862	9.9
55.05272	5.2
55.05516	80.6
57.03457	3.9
57.07064	8.0
60.66909	2.6
61.81470	2.7
65.03935	2.7
67.05508	26.9
69.03430	4.6
69.06721	4.8
69.07073	75.7
71.04977	5.3
71.56023	2.7
79.05500	23.9
81.07055	49.1
81.41543	2.6
83.04967	3.0
83.08624	100.0
85.06555	4.7
85.10186	6.9
87.32317	2.4
88.82065	2.7
90.69824	2.9
91.05486	58.3
93.07053	52.9
95.04971	8.5
95.08617	77.0
97.02897	7.0
97.10181	4.5
103.05457	3.3
105.07041	83.0
107.08600	39.4
109.06510	8.5
109.10168	23.4
111.08092	26.5
113.09648	18.6
113.51702	2.9
115.05494	2.8
117.07021	25.5
119.07806	4.3
119.08590	73.0
121.06528	4.0
121.10146	28.0
123.08038	8.6
123.11713	7.8
125.09590	4.1
128.06207	3.2
129.06992	12.3
130.07802	2.9
131.08572	35.8
133.10138	60.5
135.08083	14.4
135.11685	15.7
137.09628	5.0
139.03934	3.6
139.11198	6.4
142.07750	4.2
143.08565	11.9
145.10143	42.5
147.08022	6.8
147.11728	28.6
149.09605	9.3
149.13263	6.8
153.01834	3.7
155.08527	4.1
157.10129	17.6
159.07979	3.8
159.11722	23.2
161.09587	6.7
161.13272	19.8
163.07649	3.7
163.14796	6.2
169.10159	13.5
171.11714	17.8
172.12546	2.9
173.09660	4.7
173.13289	43.8
175.11172	4.3
175.14804	5.6
177.12689	5.4
181.04930	3.3
183.11565	6.9
185.13252	10.8
187.14845	51.5
189.12708	4.0
189.16405	31.8
191.14270	5.9
197.13231	9.1
199.14836	7.0
201.16389	11.4
203.17894	6.7
205.15912	18.1
210.65047	3.1
211.14795	6.3
213.16316	3.8
215.14323	7.8
217.05090	4.0
229.15880	10.8
231.17415	4.7
233.15326	8.8
239.95430	2.9
241.19398	4.6
243.17555	3.5
255.21048	5.2
257.22623	8.3
261.16101	3.4
261.18607	6.9
271.17014	3.1
271.20654	3.3
275.23688	8.0
281.22568	5.2
299.20035	11.2
299.23694	28.2
302.04227	13.7
317.06525	38.9
317.13748	3.2
317.17526	5.1
317.21246	17.9
317.24756	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03941	2.7
55.01863	2.2
55.05510	18.0
57.07072	1.4
60.04515	1.7
67.05499	8.9
69.03442	1.3
69.06726	1.3
69.07071	15.9
71.04988	1.4
79.05486	8.2
81.07065	16.1
83.04989	4.6
83.08645	2.9
88.07674	1.1
91.05486	7.9
93.07050	22.0
95.04974	20.4
95.08600	11.3
97.06548	8.6
97.10178	16.2
105.07032	13.5
107.08595	12.2
109.02885	100.0
109.06530	19.7
109.10168	4.0
111.04439	2.0
111.08073	7.7
113.06023	1.1
117.06985	1.5
119.08578	11.8
121.06524	2.4
121.10151	43.6
123.08096	7.5
123.11724	7.1
125.05971	5.8
129.07004	1.2
131.08542	2.9
133.10146	7.9
135.08043	6.1
135.11707	2.8
137.09639	3.5
139.07550	1.7
139.11183	9.9
143.08638	1.5
145.10130	3.9
147.08105	1.6
147.11740	3.2
149.09601	8.0
151.07568	1.8
153.01834	1.6
153.09094	1.4
155.08530	1.6
157.10146	3.1
159.11745	4.0
161.09669	3.7
161.13266	4.4
163.11191	8.8
167.10687	42.9
169.10126	1.1
171.11725	1.6
173.09532	1.6
175.11295	2.1
175.14853	2.6
183.11632	1.2
185.06235	1.2
185.11775	2.8
185.13251	2.3
189.12819	1.6
189.16383	3.6
203.14287	10.7
207.17502	2.5
221.13461	1.3
221.15378	33.3
231.13728	2.4
249.14833	11.2
271.20505	1.4
299.20035	4.4
302.04251	2.8
317.06558	8.9
317.21167	7.5
317.24738	4.5
317.32370	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	317.175
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
53.03949	1.2
55.05503	4.4
57.07069	4.1
65.29797	1.2
67.05495	8.3
69.03426	3.1
69.07080	6.1
71.55895	1.4
73.13851	1.1
79.05508	9.5
81.07059	12.8
83.04970	5.3
83.08594	1.3
85.06549	1.4
85.10175	9.1
91.05479	12.5
93.07043	10.3
95.04975	17.3
95.08611	14.3
97.02909	1.8
97.06517	3.3
105.07028	21.5
105.07693	2.1
107.04971	2.7
107.08600	9.0
109.06530	19.6
109.10172	4.4
111.08089	3.2
113.09652	7.7
115.05457	1.2
117.07025	8.9
119.08591	20.3
121.06504	5.7
121.10145	5.3
123.08070	3.6
123.11719	1.2
125.06001	1.3
125.09675	1.1
128.06203	2.0
129.06999	5.8
130.07761	2.1
131.08563	15.0
133.06500	2.2
133.10147	7.2
135.08064	38.6
135.11665	2.0
137.09642	1.5
141.06985	3.5
142.07774	4.2
143.08578	13.1
144.09352	2.1
145.06534	1.4
145.10139	22.8
147.08043	3.0
147.11685	8.2
149.09615	3.2
153.07005	2.1
155.08562	8.2
156.09360	1.6
157.10126	13.8
158.10915	2.5
159.08052	2.9
159.11691	12.9
160.08856	2.8
161.09633	4.4
163.11348	1.2
165.07013	1.3
167.08601	1.8
169.10121	12.7
170.11024	1.4
171.08165	1.3
171.11674	10.3
173.09656	4.9
173.13264	7.6
175.07346	1.1
175.11182	25.2
179.08606	2.0
180.09290	1.3
181.10156	4.3
182.10854	2.2
183.11742	7.9
185.09566	2.0
185.13261	4.4
187.11191	12.5
187.14801	10.4
189.12755	4.0
193.10078	2.8
194.11018	2.0
195.11725	5.1
197.09613	1.8
197.13281	3.6
199.11224	1.3
199.14928	2.2
201.12791	2.6
201.16306	1.3
203.10797	1.1
203.18011	3.2
205.10193	2.1
205.15843	1.9
206.10939	2.1
207.11810	2.3
207.13699	2.0
209.13254	4.0
211.11133	1.4
211.14775	7.5
213.12787	2.2
215.10793	2.2
215.14442	2.0
217.12346	1.6
221.13324	2.2
223.14903	2.8
225.12892	1.6
225.16391	9.8
227.14252	2.3
229.12225	3.4
229.15863	2.8
231.17409	3.2
233.11696	4.0
235.14973	6.8
237.16487	1.5
243.13708	1.7
243.17497	4.9
247.14899	2.3
253.15872	16.2
255.17400	2.1
255.21271	1.4
256.12482	1.1
257.15393	2.7
261.16345	1.9
271.16928	21.3
273.18790	2.2
273.21857	1.2
281.15445	4.4
281.22894	1.3
289.18106	2.8
299.16428	18.4
299.19968	4.9
299.23749	4.0
302.04269	4.8
317.06735	8.8
317.17505	100.0
317.22421	9.6
317.25311	4.2
318.17972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01864	0.8
55.05482	0.4
56.16283	0.3
65.03938	1.0
67.05492	0.9
68.02644	0.3
68.99789	0.9
69.03431	2.3
69.07063	0.5
71.04998	0.5
71.57816	0.4
74.22214	0.3
77.03917	0.3
79.05490	2.6
81.03416	0.4
81.07046	1.3
83.04957	0.5
91.05489	1.9
91.84991	0.3
92.02628	3.1
93.03418	2.5
93.07035	0.8
94.04216	0.6
95.04952	1.3
95.08601	0.6
97.06514	0.3
103.05470	28.8
105.07037	7.4
107.04961	3.8
107.08576	0.6
109.02891	0.4
109.06511	1.0
109.10142	0.4
111.00881	0.3
111.04425	0.4
115.05456	2.9
117.03404	0.3
117.06202	0.4
117.06985	1.3
118.04144	0.4
119.04938	0.9
119.08594	0.9
121.02866	1.9
121.06499	2.3
121.10109	0.6
122.03654	1.6
122.06810	1.7
123.04429	4.8
123.07117	0.8
123.11714	0.3
124.05243	0.7
126.03124	1.0
127.03919	0.4
129.06979	0.4
131.04932	15.7
131.08574	0.4
133.02882	0.5
133.05603	0.4
133.06505	5.8
133.10114	0.5
134.03650	0.3
135.04391	0.7
135.08034	1.3
137.02345	0.9
137.05977	9.8
138.21324	0.3
139.03914	1.6
141.05515	0.5
141.06973	0.4
143.04932	1.1
143.08536	0.4
145.06490	1.7
145.10135	0.6
147.04427	2.5
147.08081	0.3
147.11671	0.7
148.05203	3.8
149.06021	1.8
149.09528	0.4
150.03123	0.6
151.03897	2.0
151.07530	1.3
153.01836	19.0
153.05553	1.6
153.06761	0.4
154.07777	0.4
155.08554	0.5
157.06505	0.5
157.10170	0.5
158.11778	0.3
159.11713	0.5
161.05991	4.7
162.06601	0.3
163.03928	5.9
163.07536	8.8
165.01849	1.1
165.05502	10.4
165.07010	1.4
165.09135	0.8
167.07076	3.7
167.08441	0.5
169.10098	0.4
173.05994	0.5
175.11122	0.4
177.05495	0.9
177.09149	0.5
178.06258	8.6
178.07820	0.6
179.03403	0.6
179.06923	0.3
179.08586	0.8
181.06494	0.8
181.08632	0.8
182.07300	1.4
183.02936	0.3
183.07945	0.3
193.06732	0.4
193.08600	5.9
193.10303	0.6
195.06506	0.4
195.08142	0.6
197.09610	1.1
199.07501	0.7
200.04657	0.3
201.05510	1.5
203.03383	1.7
207.06592	0.7
210.06735	1.5
211.07518	0.5
217.04984	2.5
218.05750	1.0
219.02878	0.5
221.06001	1.4
225.09123	3.0
226.06300	0.5
227.07047	1.0
228.04184	4.0
229.04950	7.3
229.08479	0.5
231.02867	1.1
232.03693	1.0
238.06306	0.4
239.17996	0.3
242.09377	0.3
245.04501	4.0
246.05276	2.5
247.02917	0.3
253.08624	2.0
256.03641	0.4
257.04520	4.1
257.11749	0.9
260.03281	0.8
261.07568	0.4
270.08725	0.4
271.20538	0.4
273.03983	3.0
274.04736	6.9
284.03174	0.9
285.03967	7.3
285.11185	1.7
286.04526	0.3
287.09164	0.4
299.06088	0.3
299.09027	1.3
299.12537	0.3
299.20013	0.8
301.03375	0.7
302.04208	23.6
302.11389	2.2
303.04736	0.7
317.06570	100.0
317.13855	21.9
317.18295	3.1
317.21301	1.5
318.06952	3.1
318.14200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1021
Annotation	Ougenin
Peak:m/z	Relative Intensity
51.02360	0.5
53.03925	0.5
53.79815	0.3
55.01859	1.2
55.05503	1.4
63.22259	0.3
65.03919	0.8
67.05502	2.0
68.99792	1.2
69.03434	17.6
69.07059	0.5
71.57069	0.6
77.03937	0.4
79.05515	2.1
81.03403	0.7
81.07062	3.5
83.04972	0.7
85.02899	0.7
91.05492	4.3
92.02612	0.7
93.03371	0.6
93.07050	2.0
95.04981	2.5
95.08602	1.4
97.06536	0.8
105.03421	0.5
105.07055	2.2
107.04962	1.3
107.08584	1.4
109.02872	0.7
109.06525	1.0
109.10152	1.1
111.04428	0.7
115.05445	1.2
117.07040	0.5
119.04939	6.5
119.08585	1.3
121.02873	0.6
121.06514	1.4
121.10141	1.3
123.04437	46.8
123.11686	0.5
124.04766	0.5
125.06004	0.6
129.06979	0.5
131.04913	0.7
131.08658	0.8
133.06494	1.1
133.10172	1.2
135.04420	1.5
135.08034	1.3
135.11716	0.6
137.02338	0.8
137.05986	3.7
139.03850	0.7
141.05498	4.0
143.04924	1.2
143.08626	0.9
145.06522	0.7
145.10112	0.9
147.04424	19.5
147.08122	0.4
147.11713	0.8
149.05986	1.7
149.09642	0.8
151.03880	1.3
151.07545	1.3
153.01843	3.2
153.05473	6.4
155.08482	0.6
157.10120	0.7
159.08055	0.6
159.11642	0.7
159.85989	0.4
161.06000	6.0
161.09639	1.5
161.13307	0.4
163.03941	2.2
163.11203	0.8
165.05487	100.0
166.05750	0.9
169.10164	0.5
171.04462	0.7
171.11664	0.4
173.09747	0.4
175.07568	0.7
177.05490	2.5
177.09081	0.4
179.07063	2.9
183.08069	0.6
183.11652	0.6
187.07626	0.6
189.05470	2.3
189.09120	0.5
189.12691	0.5
193.04994	0.9
195.06560	2.6
197.05992	0.6
197.13295	0.6
199.14835	0.6
201.12750	0.5
207.06537	5.4
213.12749	0.6
215.14282	0.4
217.04968	0.4
228.04271	0.8
229.04979	1.2
231.13889	0.5
238.06451	0.5
243.09848	0.6
245.04544	0.9
246.05304	0.6
257.04434	0.7
267.06519	0.7
271.20459	0.5
273.04056	0.6
274.04742	0.9
281.18835	0.6
284.07059	0.4
285.03922	1.2
299.09161	4.9
299.16794	0.6
299.20132	1.4
302.04291	4.0
303.77637	0.5
317.06555	17.1
317.10229	24.2
317.13553	0.8
317.18033	0.6
317.21170	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
61.82156	0.2
64.74394	0.2
65.03928	0.8
65.07848	0.3
66.04700	0.3
68.99783	0.5
70.03740	1.3
82.88863	0.3
92.02626	3.0
93.03405	3.0
98.21378	0.4
109.02813	0.3
111.00805	0.4
121.02881	3.0
121.65704	0.3
126.03132	1.0
129.70918	0.3
137.02342	0.8
139.03918	1.8
145.06451	0.3
149.02310	0.4
151.03922	1.7
153.01834	16.7
155.04872	0.3
163.03928	0.4
165.01846	1.0
170.02098	0.3
173.06017	0.4
177.05505	0.4
183.02872	0.3
187.03810	0.3
193.01393	0.3
200.04672	0.8
201.05467	1.6
203.03354	1.8
204.04181	0.4
217.05005	2.9
218.05775	1.4
219.02948	0.8
228.04164	3.7
229.04971	7.1
231.02902	1.1
245.04469	4.1
246.05228	3.5
247.02615	0.3
256.03723	0.4
257.04449	4.9
260.03210	0.8
261.07639	0.4
273.03955	3.2
274.04727	7.3
274.07492	0.5
283.28070	0.3
284.03217	0.9
285.03958	8.5
301.03644	0.4
302.04214	21.1
317.06573	100.0
318.06940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
58.03750	0.2
65.03947	0.6
67.01868	0.3
68.99787	0.6
69.85796	1.3
92.02632	3.6
93.03407	2.9
107.14355	0.2
108.02159	0.2
111.00785	0.2
121.02870	2.3
122.03657	0.4
126.03126	1.1
137.02347	0.8
139.03876	1.4
145.06560	0.4
149.02382	0.3
151.03947	1.0
153.01839	18.2
155.04877	0.5
165.01878	0.8
173.05971	0.4
177.05478	0.4
179.03419	0.2
183.02916	0.5
183.04428	0.4
187.03923	0.4
190.06297	0.4
192.04044	0.3
200.04633	1.0
201.05521	1.9
203.03400	2.0
217.04958	3.4
218.05754	1.6
219.02921	0.6
227.32318	0.2
228.04213	4.2
229.04970	7.3
231.02899	1.3
245.04469	4.4
246.05258	3.2
249.69164	0.2
256.03723	0.7
257.01788	0.3
257.04465	4.8
260.03207	0.9
271.06137	0.3
273.03955	2.8
274.04724	6.8
284.03210	1.0
285.00806	0.5
285.03937	7.6
286.04684	0.3
287.01929	0.2
288.06274	0.3
301.03677	0.5
302.04233	19.4
303.04318	0.3
317.06573	100.0
318.06964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03695	0.1
65.03950	0.8
68.02685	0.1
68.99821	0.5
69.03436	0.1
69.64735	0.2
70.90062	0.3
70.90427	0.3
86.27456	0.2
89.40910	0.2
92.02629	2.9
93.03416	2.8
93.03957	0.2
94.04234	0.2
95.01330	0.2
107.77974	0.2
109.02924	0.3
111.00858	0.4
120.02191	0.2
121.02884	2.3
121.06575	0.3
122.03694	0.2
122.06870	0.3
123.00947	0.1
123.04470	0.2
124.01588	0.2
126.03130	1.1
133.02905	0.3
134.03688	0.2
137.02403	0.5
137.06029	0.3
139.03932	1.4
145.06526	0.2
147.04456	0.2
149.02336	0.2
150.03189	0.2
151.03906	1.5
151.04933	0.2
152.01141	0.2
153.01837	17.5
155.04927	0.2
161.06007	0.2
163.04005	0.4
165.01845	1.3
166.02708	0.4
173.06035	0.5
177.01981	0.2
177.05531	0.3
178.02631	0.2
179.03497	0.3
183.02997	0.3
183.04483	0.3
187.03970	0.2
189.05573	0.2
190.06316	0.4
200.04724	0.6
201.05498	1.8
203.03426	1.7
204.04282	0.2
211.14497	0.1
217.05006	2.9
218.05716	1.0
219.02946	0.7
228.04199	4.1
229.04970	7.6
231.02902	1.1
243.06615	0.3
245.04466	3.9
246.05237	3.2
256.03748	0.7
257.04501	4.3
260.03159	0.8
261.07639	0.5
271.06015	0.4
273.03973	3.3
274.04742	6.9
284.03165	0.8
285.03967	7.4
286.04724	0.2
287.02008	0.2
288.06232	0.3
301.03473	0.4
302.04236	22.2
303.04645	0.2
317.06573	100.0
318.06970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57368	0.2
53.27059	0.2
63.80104	0.2
65.03906	0.7
68.99779	0.5
69.32355	1.4
69.32741	0.4
69.96582	0.1
76.65678	0.1
80.35679	0.1
85.09766	0.2
85.33168	0.2
92.02633	3.1
93.03415	3.0
94.04167	0.2
95.04848	0.2
98.05312	0.2
105.03396	0.2
109.02805	0.3
111.00784	0.5
121.02872	2.1
122.03641	0.3
123.04430	0.3
126.03146	1.3
133.02829	0.2
137.02307	0.7
139.03899	1.3
145.06459	0.3
151.03896	1.1
152.01071	0.3
153.01834	18.3
155.04887	0.3
161.05968	0.3
163.03845	0.5
165.01793	0.7
166.02608	0.3
173.05966	0.4
177.05438	0.4
179.03410	0.4
183.02879	0.4
183.04359	0.4
187.03941	0.2
189.05479	0.2
190.06262	0.2
191.81784	0.2
200.01637	0.2
200.04709	0.8
201.05481	1.7
203.03386	1.9
217.04976	3.2
218.05754	1.4
219.02876	0.8
228.04172	4.0
229.04976	7.3
231.02858	1.4
232.03738	0.2
239.03322	0.2
243.06627	0.2
245.04478	3.8
246.02803	0.3
246.05263	3.6
256.03690	0.8
257.04453	4.2
260.03094	0.8
261.07602	0.5
267.02850	0.2
271.05991	0.5
273.03961	3.4
274.01685	0.3
274.04718	7.2
284.03192	1.0
285.03952	7.8
288.05997	0.2
301.03564	0.4
302.04224	22.9
317.06567	100.0
318.06870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65347	0.1
61.91900	0.1
65.03946	0.8
67.01850	0.2
67.05531	0.1
68.99784	0.6
69.65361	0.9
82.04245	0.1
92.02050	0.2
92.02628	3.4
93.03406	2.6
94.04217	0.2
107.08567	0.1
109.02910	0.2
111.00785	0.5
120.02123	0.1
121.02876	1.9
121.06502	0.1
122.03642	0.4
124.01529	0.2
126.03142	1.2
133.02863	0.2
137.02344	0.7
139.03914	1.7
145.02895	0.2
145.06468	0.3
149.02368	0.3
150.03107	0.2
151.03917	1.4
151.05013	0.2
153.01830	18.3
155.04932	0.5
163.03918	0.4
165.01825	0.9
166.02635	0.3
172.05180	0.2
173.06021	0.4
175.11652	0.1
176.04692	0.2
177.05440	0.3
179.03363	0.4
183.02887	0.4
183.04427	0.2
187.03922	0.5
189.05321	0.2
190.02719	0.2
190.06273	0.2
191.03500	0.2
200.04642	0.9
201.05479	1.8
203.03413	1.9
204.04282	0.1
217.04982	3.2
218.05769	1.3
219.02853	0.7
223.25920	0.1
228.04172	3.8
229.04958	8.0
230.05338	0.2
231.02888	1.3
232.03671	0.2
239.03293	0.3
243.06630	0.3
245.04453	4.1
246.05237	3.7
247.02145	0.1
256.03699	0.5
257.04468	4.6
258.05109	0.2
260.03223	0.8
261.07663	0.5
267.02945	0.2
271.06015	0.5
273.03943	3.2
274.01672	0.3
274.04730	7.0
284.03149	0.9
285.03946	7.7
286.04651	0.2
287.01862	0.3
288.06165	0.2
292.71072	0.1
301.03531	0.3
302.04218	22.9
303.04623	0.3
317.06558	100.0
318.06891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03942	0.5
55.01860	0.4
55.05515	4.1
56.05041	4.2
57.07077	2.1
58.02975	0.5
60.04531	100.0
67.05511	8.8
68.05019	0.6
69.07079	6.2
70.06607	1.2
71.05000	0.5
71.08655	0.7
71.42003	0.6
72.04527	1.6
74.06085	2.4
79.05494	4.7
80.05042	1.0
81.07060	7.7
81.07519	0.7
82.06593	1.2
82.07427	0.4
83.04981	1.2
83.08617	2.9
84.08120	0.4
85.10190	0.5
86.91202	0.4
90.05576	1.2
91.05496	2.8
93.07056	4.2
94.06590	1.0
95.04973	0.8
95.08605	8.6
95.09165	0.7
96.08114	0.6
97.06544	0.6
97.10181	1.5
100.07653	0.6
103.05434	0.6
103.69745	0.4
105.07038	1.6
107.08588	2.8
108.08089	0.5
109.06538	1.3
109.10152	3.5
111.04420	0.8
111.11811	0.5
111.58128	0.4
112.07641	0.6
119.08603	2.0
121.10155	4.2
123.08052	0.8
123.11757	1.9
133.10143	2.0
135.08067	0.9
135.11699	1.6
137.09653	0.6
147.11682	0.5
157.10123	0.4
159.11761	0.7
180.77881	0.4
184.23279	0.4
194.12456	0.4
199.14679	0.5
205.15889	2.9
231.62653	0.4
245.22588	0.7
250.25360	1.0
251.23659	0.7
262.25214	0.8
268.26355	0.5
271.20514	0.5
280.26404	11.7
294.97836	0.4
298.27441	10.6
299.20163	1.0
316.28479	31.5
317.21109	6.7
317.28674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.3
53.55981	0.2
55.01871	0.6
55.05517	4.9
56.05043	4.2
57.02411	0.3
57.03429	0.7
57.07080	2.2
58.02959	0.4
60.04530	100.0
61.04836	0.3
65.03944	0.5
67.05168	0.5
67.05511	8.1
68.05034	0.8
69.07072	5.8
69.98977	1.2
70.06596	0.8
71.04964	0.6
71.08643	1.0
72.04509	2.1
74.06090	1.9
79.05502	4.0
80.05035	0.9
81.03417	0.4
81.07063	8.6
82.06596	1.2
83.04987	1.1
83.08621	4.2
84.08148	0.5
85.10180	0.4
86.06061	0.6
87.04468	0.6
88.01273	0.3
90.05562	0.9
91.05482	3.3
93.07053	3.8
94.06586	0.7
95.04974	1.0
95.08614	8.6
96.08121	0.6
97.06548	0.8
97.10171	1.8
98.06059	0.6
100.07642	0.4
103.05458	0.3
104.37225	0.3
105.07024	1.7
107.08607	2.4
108.08134	0.4
109.06524	0.7
109.10173	2.7
110.09722	0.4
111.04437	0.4
111.08100	0.3
111.11741	0.6
112.07606	0.4
117.07089	0.5
119.08598	2.0
121.06504	0.3
121.10143	2.4
123.08046	0.6
123.11699	1.1
124.08948	0.3
131.08556	0.4
133.10139	1.0
135.08075	0.6
135.11713	0.9
137.05928	0.4
137.09654	0.6
137.13301	0.5
143.08618	0.4
145.10132	0.7
147.08022	0.4
147.11749	0.6
149.13257	0.5
151.11128	0.3
155.08633	0.3
157.10158	0.4
159.07840	0.3
159.11703	0.5
161.13257	0.5
163.11232	0.3
163.14845	0.4
169.10019	0.4
175.11198	0.4
175.77313	0.3
205.15889	1.6
207.21022	0.3
212.23636	0.5
219.21068	0.3
245.22701	0.5
250.25278	1.3
251.23911	0.4
257.19174	0.4
260.83801	0.3
262.25330	1.8
263.23767	0.4
268.26279	0.9
270.19275	0.3
280.26376	11.2
281.26733	0.5
298.27429	13.6
299.20016	0.7
316.20413	0.7
316.28482	34.0
317.06598	0.6
317.21091	3.9
317.28925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09298	0.6
53.99992	0.7
55.01874	1.3
57.03428	2.4
61.02932	5.4
67.05493	0.8
69.03436	5.0
69.61623	4.3
69.62029	1.3
70.06588	1.1
71.01371	0.8
73.02926	4.6
81.03426	2.3
81.07058	0.8
84.08148	1.0
84.48619	0.6
85.02913	12.8
85.07753	0.8
86.75491	0.7
91.05483	6.4
92.05007	1.5
94.29604	0.7
95.06094	1.0
97.02905	4.7
99.04451	1.7
100.29591	0.7
101.00941	0.8
103.03942	2.6
103.05462	1.5
105.07030	3.6
108.08144	0.9
109.02911	1.8
109.06496	1.8
114.09174	1.4
115.05487	3.2
116.03971	0.7
116.07140	1.3
117.07087	0.8
117.50848	0.7
118.30618	0.7
119.04953	4.9
121.06481	1.6
122.07149	2.0
123.04446	1.9
127.03912	1.8
129.07010	1.7
131.04951	3.9
133.06532	4.2
136.03937	1.0
136.05211	0.7
136.07599	7.1
137.05991	41.3
143.01868	0.8
143.04930	4.1
145.04970	1.1
145.06477	2.4
146.04984	1.0
149.06006	10.7
151.07567	12.4
152.07042	0.8
154.03726	1.2
154.05017	25.1
154.06099	1.4
154.08641	15.4
157.06482	2.7
160.05165	0.8
160.07620	1.4
161.05988	11.0
163.07542	1.5
164.07063	8.7
165.05455	1.5
167.58093	0.6
169.06519	0.9
171.08104	0.6
173.02972	1.1
173.06009	2.6
175.07567	4.0
176.07104	0.8
177.05542	0.7
178.08636	14.0
178.29962	0.7
179.07056	9.7
185.06007	1.8
189.06023	1.0
190.08751	1.1
191.07101	1.8
196.05765	0.7
196.09653	3.3
199.07607	1.4
201.06102	1.1
202.08658	1.0
203.07121	2.2
216.10034	0.7
217.08589	0.7
218.08128	2.0
219.08990	0.7
220.09705	3.7
227.07167	1.1
245.08217	1.4
248.69907	0.8
262.10767	1.2
270.10849	0.9
280.08624	1.0
280.11786	3.6
291.09219	2.0
298.12750	4.5
309.10159	0.8
316.07877	4.3
316.13907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1181
Annotation	4-Hydroxy-3-methoxydihydrocinnamic acid
Peak:m/z	Relative Intensity
57.03481	0.8
64.99922	0.4
65.84315	0.3
69.03471	0.9
69.66893	2.5
70.06628	0.6
77.24378	0.4
79.05541	0.6
81.07104	0.5
84.04539	0.4
85.02972	1.1
87.04440	0.3
91.05477	2.4
97.80228	0.4
98.06083	0.5
98.20755	0.7
100.02282	1.7
105.07092	0.5
107.04951	6.9
109.06593	0.9
112.10261	0.4
113.54350	0.4
119.05023	1.6
121.06548	0.4
122.06111	0.6
123.04527	0.7
126.09267	0.5
130.06577	0.6
131.05000	1.2
136.07651	1.7
137.05988	5.6
138.09120	0.5
146.06061	0.9
146.08168	0.6
148.07591	0.7
149.06029	0.9
153.07137	0.5
154.05066	1.3
154.08643	11.4
154.09767	0.8
162.05591	1.6
163.06273	2.3
164.07115	1.4
176.07085	0.7
178.08682	0.9
179.08473	0.6
180.06493	0.3
189.07065	0.6
203.04848	0.7
207.08092	3.0
208.06082	0.7
210.05577	0.5
235.07597	1.6
252.10347	0.5
253.08664	1.1
263.07092	0.6
270.11258	100.0
271.11563	1.6
298.10721	3.0
298.14243	1.1
316.11749	29.8
317.06653	0.4
317.11926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68055	1.1
52.04853	0.9
59.96917	1.1
66.32465	1.0
70.88773	1.9
70.89094	1.3
85.46761	1.1
87.84811	1.2
123.04452	1.5
137.05923	1.1
148.09662	1.2
152.07034	1.7
162.05469	1.3
166.07326	1.3
167.08156	1.4
177.07175	1.7
178.07352	2.7
178.08661	3.0
180.08868	1.7
191.08356	2.8
192.08897	8.9
195.07635	4.6
205.06219	1.9
206.06841	8.0
208.08408	4.2
209.09415	2.2
210.09993	4.9
212.07899	1.5
219.07678	1.3
220.08383	6.7
222.06613	4.4
223.07127	11.6
224.07796	2.7
226.09441	1.2
234.06371	3.1
235.07385	1.1
236.07855	5.2
237.08804	4.3
238.09550	16.5
239.06996	1.7
240.07465	2.6
248.07835	1.6
251.06621	3.1
252.07481	2.5
255.09846	1.5
257.09958	1.2
264.07449	2.3
265.08542	4.4
266.08984	47.9
267.09488	1.5
268.06836	3.0
268.09561	1.1
275.19226	1.1
280.10645	1.8
283.09229	17.6
284.08939	3.1
285.09622	2.7
297.10980	1.3
298.11536	58.4
299.11124	51.7
300.11826	27.9
315.14224	100.0
316.14545	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1227
Annotation	7-Hydroxy-2,3,4,6-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03949	3.6
55.01867	5.5
55.05515	5.8
60.04527	2.5
65.03944	62.2
67.05504	7.4
69.07058	2.4
69.43662	11.2
69.44083	3.5
71.01343	3.3
77.03915	2.0
79.05487	9.8
81.03417	3.9
81.07056	8.8
83.04965	4.9
87.92513	1.6
88.97601	1.8
91.05486	21.3
93.03414	32.1
93.07036	9.1
95.04974	8.1
95.08616	5.6
96.02122	8.5
97.02850	2.6
97.10210	2.0
100.74200	1.7
103.05471	16.6
104.06236	2.4
105.07047	24.4
107.01355	2.5
107.04954	20.3
107.08609	5.5
108.05742	4.3
109.02868	1.7
109.06496	3.8
109.10165	5.5
110.49633	1.6
111.04444	41.0
115.05466	8.0
116.06245	7.7
117.07025	38.0
119.04938	7.1
119.08578	7.5
121.02867	2.9
121.03963	1.8
121.06516	38.0
121.10143	3.1
123.04444	2.0
128.06226	2.3
129.07014	2.8
131.04921	5.1
131.08577	5.5
133.06488	18.9
133.10150	3.4
134.07257	2.0
135.04480	2.1
135.08023	9.9
137.05965	9.7
137.09686	2.0
139.03909	100.0
141.07021	2.2
143.08524	4.5
145.06483	4.1
145.10132	6.8
147.08057	43.8
147.09218	2.2
148.08839	59.5
149.09634	42.0
149.10754	3.4
151.07542	4.5
155.08556	3.5
156.09331	2.1
157.10107	5.8
159.08054	3.7
159.11722	4.1
161.06009	3.7
161.09598	2.5
163.07558	15.8
165.07018	3.0
167.03407	64.9
167.08582	3.5
169.10054	2.4
171.08032	2.9
171.11687	2.9
173.09668	3.0
175.07526	3.0
175.11212	2.3
181.10094	2.2
183.08066	1.8
183.11650	3.4
185.09619	1.9
185.13281	4.6
187.11249	4.4
187.14786	2.1
194.07318	2.8
195.08051	5.1
195.11809	2.8
199.14981	1.8
201.12746	2.5
208.05183	2.8
209.09663	5.2
213.12840	2.8
215.10516	2.0
223.07425	3.2
223.11160	2.5
225.05493	1.7
227.10732	5.0
229.12221	3.3
237.09143	4.9
241.12198	1.8
246.08755	2.5
254.09236	1.7
255.10168	12.8
257.07822	1.9
266.08908	2.6
269.08060	1.9
269.19263	3.3
283.09686	7.0
297.11200	6.6
297.14847	3.2
297.18430	6.4
298.11237	2.3
299.11215	5.2
300.11948	4.1
315.12292	10.4
315.15427	5.8
315.19659	10.2
315.23260	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	314.1751
Annotation	Roefractine
Peak:m/z	Relative Intensity
54.83384	0.4
66.38649	0.3
69.78870	1.9
70.29332	0.3
70.80399	0.3
74.02313	0.4
78.04702	0.4
85.75497	0.4
91.05492	2.9
95.05000	0.8
103.05507	0.6
105.07026	2.7
106.04179	0.7
112.97339	0.4
115.05463	11.0
117.06998	0.7
120.05766	0.6
121.06516	88.7
122.06858	0.8
129.06995	0.9
135.04474	0.6
135.08063	10.7
137.05989	7.3
143.04941	17.0
144.05746	1.8
145.06477	1.3
146.09729	0.5
147.08043	1.4
151.07542	1.1
157.06493	0.5
159.08052	6.2
160.05199	1.4
163.07547	0.6
175.07561	7.8
177.07823	2.3
177.09140	0.9
178.08672	1.6
191.08562	1.0
192.10234	13.0
195.08032	0.8
206.11821	0.9
208.08910	1.8
209.09674	0.4
211.07602	0.7
211.11253	0.5
219.08063	0.8
220.08759	0.8
223.07664	0.6
223.11174	4.8
225.09137	0.8
236.08366	1.0
237.09116	0.6
239.07118	0.4
251.10710	4.9
252.11304	0.4
253.08524	1.3
253.12245	0.7
265.12259	0.6
268.10962	1.1
283.13309	10.8
285.14847	0.6
293.14951	0.4
297.10785	0.5
298.10739	0.5
299.11670	0.4
314.17514	100.0
315.17941	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1228
Annotation	6,3',4'-Trimethoxyflavanone
Peak:m/z	Relative Intensity
52.06637	0.8
53.03940	1.1
55.01878	0.9
55.05528	1.7
59.36917	0.7
62.76040	0.6
65.03946	1.3
65.52209	0.6
66.04731	0.9
67.05526	1.4
69.07074	0.9
70.99690	0.8
71.00031	1.7
77.03970	0.9
79.05507	5.7
81.07082	4.6
83.04978	0.8
83.08621	1.1
91.05492	8.3
93.07071	2.0
94.04209	3.6
95.04955	4.3
95.08615	3.3
103.05476	100.0
105.07046	10.6
107.04970	8.1
107.08601	1.3
109.02920	1.0
109.06533	5.3
109.10172	1.2
111.04382	1.2
111.08097	0.9
115.05470	1.4
117.07021	3.5
119.04948	3.1
119.08585	2.5
119.54397	0.8
120.05762	2.0
121.06518	2.6
122.03667	5.5
122.06924	1.0
123.04411	2.6
125.05988	1.0
128.06239	0.9
131.04941	53.6
131.08611	1.8
132.05774	1.2
133.06505	2.4
133.10159	1.1
134.03644	1.1
135.04369	1.4
135.07121	1.3
135.08075	18.1
137.05986	67.1
143.08487	1.1
145.06493	2.8
145.10074	1.4
147.04420	2.4
147.08051	0.9
148.05199	59.3
149.05957	2.3
149.09636	0.9
150.03268	0.9
151.07552	8.6
152.06155	2.4
155.05884	0.7
155.08553	1.2
155.10674	2.1
157.10149	1.0
159.11691	1.1
161.05980	4.2
162.03087	0.8
163.07556	80.4
164.08253	2.5
165.05478	11.1
165.06999	3.0
165.09093	0.8
166.07800	1.4
167.08531	5.1
169.06454	1.2
169.10056	1.0
171.11707	1.0
175.03911	9.3
176.04713	27.1
176.06244	1.6
177.05408	0.9
177.06941	1.4
181.06473	1.5
184.08856	0.9
185.09514	1.0
187.11133	1.6
189.04561	0.8
189.09067	0.8
191.05415	1.4
191.07056	23.5
191.08789	1.5
194.07272	2.2
195.08115	10.6
197.06024	2.0
205.06577	1.3
207.04349	1.1
207.08156	0.9
208.05304	1.3
209.09601	2.3
211.07497	1.9
212.08316	1.3
221.06009	0.9
222.06703	2.0
223.07562	7.4
224.08238	1.0
227.10696	2.7
236.51254	0.8
237.09084	3.0
239.07066	2.0
240.07828	2.3
251.07037	1.8
253.08733	0.9
254.09468	1.0
255.10149	6.6
255.17061	0.8
257.04379	1.0
265.08575	3.3
268.07089	0.8
269.07990	1.6
269.11569	1.5
269.18726	1.0
272.10361	1.5
283.09726	11.5
284.10327	1.1
287.12811	14.2
297.11096	2.5
297.18405	1.5
299.11020	2.3
315.12177	43.6
315.19556	3.1
315.23114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	Laurolitsine
Peak:m/z	Relative Intensity
53.51894	0.9
58.06595	4.7
70.03928	4.6
75.05289	1.1
83.65382	0.9
87.87428	0.8
98.20753	1.1
105.07044	1.5
107.04989	1.9
111.97905	0.9
151.07561	3.1
152.07137	1.2
163.06390	1.4
165.07014	3.0
166.07800	3.5
176.06314	1.4
177.07005	7.2
178.08714	16.2
178.83397	0.9
179.08578	3.7
181.06517	1.4
181.10152	2.3
182.31259	0.8
187.11493	1.3
189.07021	2.1
190.07799	4.5
191.08571	14.9
193.06512	2.4
194.07306	10.1
195.08099	1.9
205.06512	24.0
205.08376	1.8
206.07188	1.5
207.08060	8.1
208.08878	1.7
209.09637	8.0
211.07529	1.9
218.07312	2.3
219.08061	11.6
221.06047	3.9
222.06764	24.2
223.07469	4.6
225.09132	2.6
233.06012	8.8
234.06784	1.5
235.07622	3.8
236.08376	4.2
237.09126	44.5
239.07103	5.6
247.07672	3.5
249.05493	2.0
250.06273	4.4
251.07045	5.3
254.09410	2.5
255.10162	2.4
263.07138	2.2
264.07791	1.4
265.08624	100.0
266.09286	4.1
267.06528	6.7
279.10196	1.9
282.08890	29.0
283.09406	1.0
297.11230	97.0
298.10818	16.9
299.11517	11.7
314.13907	49.9
314.17413	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	314.1388
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
58.06559	0.7
69.79546	1.4
69.79961	0.5
75.80994	0.3
94.65800	0.3
95.40385	0.3
100.92178	0.3
105.06979	0.6
107.04883	0.7
108.05693	0.7
109.06444	0.7
121.14930	0.3
123.39645	0.3
126.67568	0.3
129.37085	0.3
129.38057	0.3
133.06450	0.4
136.05165	0.7
137.05914	1.1
138.05428	0.8
146.05859	0.4
150.06706	0.6
151.07550	9.8
152.06090	0.4
152.07068	4.0
162.05486	1.6
163.06171	1.0
164.06999	0.4
165.09033	1.3
176.07042	0.8
222.06837	0.4
236.10596	0.4
237.09187	0.5
238.08730	0.4
242.08037	0.6
252.10233	0.3
256.09674	0.7
264.10178	0.5
265.08600	1.3
266.08087	0.5
267.08826	0.4
268.13376	0.9
270.07590	1.4
271.08414	0.3
280.09833	1.1
282.11346	0.8
283.08438	2.8
284.09186	2.3
285.09937	1.4
296.12808	1.0
297.11270	1.3
298.10754	54.8
299.11526	30.4
300.11969	0.8
314.13879	100.0
315.14240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1386
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
56.30161	0.7
69.92958	3.2
71.17133	0.7
71.68538	0.7
72.75403	0.6
89.02134	0.7
97.75555	0.7
98.18392	0.7
98.20818	0.9
106.14411	0.6
130.96307	0.6
147.73952	0.7
162.10170	0.8
165.07043	1.8
166.07787	2.1
176.06223	1.4
176.79005	0.6
177.07001	12.8
179.08554	1.6
181.06476	0.9
181.10130	1.8
189.06979	1.1
190.07722	1.7
191.08546	7.6
193.06520	0.8
194.07291	10.6
195.07982	1.5
205.06494	31.2
206.07237	1.3
207.08014	3.8
208.08858	1.4
209.09654	4.4
211.07477	1.5
219.08012	4.2
221.06000	2.1
222.06779	20.2
223.07463	3.0
225.09077	1.7
233.06013	8.6
234.06725	2.0
235.07526	1.5
236.08369	1.7
237.09123	60.3
239.06975	6.8
247.07486	1.5
249.00137	0.8
250.06197	4.4
251.06902	3.3
254.09518	3.7
255.10257	0.8
263.07071	0.9
264.07779	1.4
265.08609	100.0
266.09387	5.2
267.06512	8.5
282.08884	16.5
297.11227	65.8
297.14719	1.6
298.10901	2.2
298.77744	0.8
299.11353	0.9
314.13922	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.7
57.03449	17.5
57.07084	54.1
67.05515	10.9
69.07075	11.2
70.77028	1.5
70.77362	2.5
71.08640	38.8
77.15196	1.1
79.05497	1.6
81.07067	18.3
83.08636	11.8
85.10194	19.6
89.06031	3.6
93.07041	1.1
95.08616	21.8
97.10170	4.2
103.07588	2.6
109.10142	9.2
123.11714	4.3
137.13292	2.3
151.14903	1.4
153.16689	1.2
189.61139	1.3
239.23759	4.5
256.26028	1.2
257.24878	7.0
282.08685	1.3
296.10101	2.6
298.10828	3.1
299.11536	1.9
313.27420	100.0
314.13953	6.5
314.27884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.6
57.03442	20.3
57.07079	62.2
65.78842	0.5
67.05179	0.7
67.05512	12.2
69.07068	11.8
71.04975	0.7
71.08635	39.4
71.47292	0.6
71.47623	0.7
79.05485	1.6
81.07061	15.7
83.08144	0.8
83.08626	13.1
85.10185	20.7
89.06044	4.0
91.05495	0.6
93.07037	1.9
95.08611	22.7
97.06506	0.6
97.10185	6.8
99.08112	0.5
99.11717	1.8
101.05959	0.6
103.07576	2.2
109.10162	11.1
111.08023	0.6
111.11695	1.9
113.13327	0.6
117.09145	0.9
121.10119	0.8
123.11689	4.6
125.13298	0.8
137.13213	2.7
145.10201	0.6
151.14796	0.7
152.37529	0.5
221.22589	0.8
239.23759	4.8
257.24762	6.1
266.09006	0.7
296.10004	1.6
298.27386	0.6
313.27383	100.0
314.14035	0.6
314.27631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1802
Annotation	Yakuchinone A
Peak:m/z	Relative Intensity
50.86346	1.7
51.93116	1.8
53.03932	3.0
55.01870	4.8
55.05518	38.3
57.03426	3.9
57.07080	3.7
59.04997	2.8
65.03927	4.3
67.05503	27.2
69.03418	5.8
69.06781	2.2
69.07081	23.0
69.95380	8.4
79.05495	20.8
81.03385	2.5
81.07059	27.6
83.04977	8.3
83.08624	31.6
85.06529	2.7
91.05483	27.7
93.07049	24.4
95.04971	8.4
95.08614	17.4
97.06511	3.9
97.10183	28.9
99.08122	2.4
103.05477	53.7
105.07037	25.9
107.04946	4.3
107.08600	18.3
109.06538	8.6
109.10162	15.7
111.04450	3.7
111.08086	8.5
115.05492	8.2
117.07010	10.6
119.04958	5.6
119.08566	15.5
121.06523	5.3
121.10152	15.8
122.03677	5.2
123.04468	3.5
123.08058	4.4
123.11736	3.7
125.06046	3.4
125.09637	30.3
128.06244	7.1
129.07022	31.8
131.04938	99.6
131.08595	8.4
133.06500	7.7
133.10141	18.9
135.08040	4.4
135.11702	8.3
137.05984	100.0
137.09634	4.1
139.07535	4.5
139.11191	6.2
141.06995	9.0
142.07799	3.9
143.04955	4.3
143.08574	6.2
143.10658	3.9
145.06502	9.1
145.10051	4.1
147.04445	7.8
147.08076	15.9
147.11774	4.4
149.09633	2.8
151.03923	7.4
151.07564	6.5
153.09097	3.7
154.07729	2.2
155.08559	6.8
156.09274	3.4
157.06526	9.0
157.08731	2.7
157.10150	7.9
159.04417	25.4
159.08096	6.3
159.11713	5.5
160.05229	3.4
161.05984	9.0
161.09570	3.0
161.13274	7.4
163.07556	32.8
163.11237	3.0
165.06966	3.8
165.09203	2.8
167.08615	4.0
169.06496	6.7
169.10120	5.2
170.11035	2.6
171.08051	4.0
171.11690	9.5
172.05281	2.2
173.06044	2.3
173.09633	3.8
175.03935	28.1
175.07568	49.4
175.09708	11.4
175.11122	3.3
176.04652	2.5
177.09065	3.3
178.07745	2.2
179.08571	5.8
181.06516	2.6
183.08118	6.7
183.11693	3.8
185.05992	3.4
185.09642	5.8
185.13240	4.3
185.43031	2.7
187.03932	15.6
187.05434	2.3
187.06137	2.1
187.07527	14.3
187.11223	3.3
188.08379	2.1
189.05502	9.8
189.09125	12.8
189.11226	22.7
189.12796	7.0
191.07021	17.4
193.06555	2.4
193.10181	3.1
195.08057	2.7
195.11656	2.8
196.08733	2.6
197.06038	3.6
197.09680	6.0
197.13237	2.1
198.06778	3.1
199.03963	3.2
199.07510	6.5
199.11284	2.2
201.05527	2.4
201.09163	11.5
201.12743	2.4
203.07059	6.1
203.10736	3.7
203.14360	3.1
206.06966	5.6
207.08046	8.9
207.11475	2.1
209.09619	3.3
209.13147	1.9
211.07567	3.3
211.11185	4.9
211.14871	2.4
213.09105	6.2
215.07028	3.9
215.10701	5.9
215.14296	2.9
217.08670	11.1
217.12474	2.2
221.09607	4.8
223.07413	3.8
225.09120	7.7
225.12646	4.1
226.06294	6.8
227.10709	4.1
227.14227	2.7
229.08585	11.4
229.12283	6.4
231.10223	6.2
235.14914	2.3
236.07968	5.1
237.09138	3.7
238.09514	5.9
239.10742	6.3
241.08601	24.6
243.10214	8.5
252.07602	3.8
253.12263	4.8
253.15999	2.4
257.11746	14.0
263.14340	6.8
264.07358	3.1
265.08533	2.4
266.09061	9.8
267.13678	2.3
267.17511	6.7
270.12537	3.4
277.21698	3.7
281.15338	2.3
282.08368	2.5
285.18549	9.0
295.13507	4.3
295.16910	37.2
296.10034	16.0
298.10815	4.4
299.11554	3.1
313.07330	3.9
313.10645	9.7
313.14355	6.7
313.18002	92.4
313.21530	9.2
314.13882	8.4
314.17889	3.1
315.54535	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86346	1.7
51.93116	1.8
53.03932	3.0
55.01870	4.8
55.05518	38.3
57.03426	3.9
57.07080	3.7
59.04997	2.8
65.03927	4.3
67.05503	27.2
69.03418	5.8
69.06781	2.2
69.07081	23.0
69.95380	8.4
79.05495	20.8
81.03385	2.5
81.07059	27.6
83.04977	8.3
83.08624	31.6
85.06529	2.7
91.05483	27.7
93.07049	24.4
95.04971	8.4
95.08614	17.4
97.06511	3.9
97.10183	28.9
99.08122	2.4
103.05477	53.7
105.07037	25.9
107.04946	4.3
107.08600	18.3
109.06538	8.6
109.10162	15.7
111.04450	3.7
111.08086	8.5
115.05492	8.2
117.07010	10.6
119.04958	5.6
119.08566	15.5
121.06523	5.3
121.10152	15.8
122.03677	5.2
123.04468	3.5
123.08058	4.4
123.11736	3.7
125.06046	3.4
125.09637	30.3
128.06244	7.1
129.07022	31.8
131.04938	99.6
131.08595	8.4
133.06500	7.7
133.10141	18.9
135.08040	4.4
135.11702	8.3
137.05984	100.0
137.09634	4.1
139.07535	4.5
139.11191	6.2
141.06995	9.0
142.07799	3.9
143.04955	4.3
143.08574	6.2
143.10658	3.9
145.06502	9.1
145.10051	4.1
147.04445	7.8
147.08076	15.9
147.11774	4.4
149.09633	2.8
151.03923	7.4
151.07564	6.5
153.09097	3.7
154.07729	2.2
155.08559	6.8
156.09274	3.4
157.06526	9.0
157.08731	2.7
157.10150	7.9
159.04417	25.4
159.08096	6.3
159.11713	5.5
160.05229	3.4
161.05984	9.0
161.09570	3.0
161.13274	7.4
163.07556	32.8
163.11237	3.0
165.06966	3.8
165.09203	2.8
167.08615	4.0
169.06496	6.7
169.10120	5.2
170.11035	2.6
171.08051	4.0
171.11690	9.5
172.05281	2.2
173.06044	2.3
173.09633	3.8
175.03935	28.1
175.07568	49.4
175.09708	11.4
175.11122	3.3
176.04652	2.5
177.09065	3.3
178.07745	2.2
179.08571	5.8
181.06516	2.6
183.08118	6.7
183.11693	3.8
185.05992	3.4
185.09642	5.8
185.13240	4.3
185.43031	2.7
187.03932	15.6
187.05434	2.3
187.06137	2.1
187.07527	14.3
187.11223	3.3
188.08379	2.1
189.05502	9.8
189.09125	12.8
189.11226	22.7
189.12796	7.0
191.07021	17.4
193.06555	2.4
193.10181	3.1
195.08057	2.7
195.11656	2.8
196.08733	2.6
197.06038	3.6
197.09680	6.0
197.13237	2.1
198.06778	3.1
199.03963	3.2
199.07510	6.5
199.11284	2.2
201.05527	2.4
201.09163	11.5
201.12743	2.4
203.07059	6.1
203.10736	3.7
203.14360	3.1
206.06966	5.6
207.08046	8.9
207.11475	2.1
209.09619	3.3
209.13147	1.9
211.07567	3.3
211.11185	4.9
211.14871	2.4
213.09105	6.2
215.07028	3.9
215.10701	5.9
215.14296	2.9
217.08670	11.1
217.12474	2.2
221.09607	4.8
223.07413	3.8
225.09120	7.7
225.12646	4.1
226.06294	6.8
227.10709	4.1
227.14227	2.7
229.08585	11.4
229.12283	6.4
231.10223	6.2
235.14914	2.3
236.07968	5.1
237.09138	3.7
238.09514	5.9
239.10742	6.3
241.08601	24.6
243.10214	8.5
252.07602	3.8
253.12263	4.8
253.15999	2.4
257.11746	14.0
263.14340	6.8
264.07358	3.1
265.08533	2.4
266.09061	9.8
267.13678	2.3
267.17511	6.7
270.12537	3.4
277.21698	3.7
281.15338	2.3
282.08368	2.5
285.18549	9.0
295.13507	4.3
295.16910	37.2
296.10034	16.0
298.10815	4.4
299.11554	3.1
313.07330	3.9
313.10645	9.7
313.14355	6.7
313.18002	92.4
313.21530	9.2
314.13882	8.4
314.17889	3.1
315.54535	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0555
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
53.00324	1.5
53.03935	1.3
54.13263	1.0
55.01871	14.5
57.03437	2.3
57.07083	2.1
61.02926	6.3
65.03937	3.7
67.01875	1.8
68.62883	1.0
68.99802	4.6
69.03431	7.0
69.07085	0.9
70.06609	1.7
71.08656	1.5
71.26385	2.4
73.67577	1.1
75.12754	1.2
75.46947	1.0
79.01841	1.3
79.05489	2.5
81.03407	3.7
81.07072	1.7
83.04959	1.4
84.08148	1.9
85.02914	4.7
91.05476	3.7
92.99761	1.3
93.07066	2.7
95.04969	4.2
95.08663	1.2
96.31261	1.1
97.02891	3.4
99.00816	1.1
103.05482	1.4
105.03367	2.1
105.06997	1.3
107.04991	5.6
109.02877	12.8
110.06032	1.0
121.02863	9.0
121.06503	2.1
123.04421	3.5
123.11695	1.0
124.07555	1.6
127.03957	3.0
131.04909	1.4
133.02849	2.0
133.10112	1.3
134.06004	1.0
135.04416	9.0
136.07617	2.0
137.02348	17.0
137.06007	1.4
139.03914	13.3
141.01855	9.0
147.04420	4.9
149.02345	25.7
149.05957	5.5
150.05437	1.2
151.03902	31.6
151.05791	1.8
151.07529	3.1
155.36893	0.9
159.04385	2.1
161.02373	3.3
161.05968	1.3
163.03912	15.4
163.05954	1.3
165.01845	99.8
167.03448	1.8
175.00214	1.2
175.03873	2.7
177.01837	30.9
177.05428	13.4
179.03403	24.3
181.08578	1.5
183.02898	100.0
189.89934	1.0
191.03427	19.0
193.04903	1.8
195.02945	2.0
203.03416	2.5
205.01419	9.7
205.04977	18.9
207.02888	7.1
207.08354	1.9
207.11061	1.1
209.04536	1.2
215.03375	2.7
221.04471	14.2
223.02385	35.1
231.02864	2.3
231.08350	1.3
233.04462	39.3
235.02411	6.6
237.03900	1.7
249.03938	24.0
251.05521	1.5
264.07419	1.1
267.05005	33.3
277.03452	40.4
295.04520	36.0
295.09802	1.7
296.09912	4.2
298.10693	1.2
313.05484	30.3
313.10992	8.8
313.21658	1.4
313.27405	2.4
314.13922	2.4
336.73270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40438	0.4
57.82651	0.4
70.35977	1.1
70.36373	0.7
71.30434	0.4
110.08860	0.3
133.60490	0.4
141.66154	0.4
165.07037	1.6
166.07825	0.8
176.06183	0.8
177.07004	8.3
178.07791	0.9
179.08553	2.3
181.06541	0.5
181.25499	0.4
189.07014	1.9
191.08470	0.9
193.06482	0.7
194.07285	6.7
199.11938	0.4
204.05823	0.6
205.06514	25.7
206.07231	1.5
207.08095	2.7
208.08946	0.4
209.09605	0.7
217.06473	0.8
219.08058	1.1
221.06026	1.1
222.06776	14.0
223.07571	0.7
224.08299	1.2
226.89085	0.5
233.05992	21.9
234.06802	2.2
235.07553	6.7
237.09122	30.8
247.07439	0.9
249.09071	0.5
250.06268	3.7
251.07089	1.2
252.07831	3.5
257.96841	0.4
263.07037	4.2
264.07846	4.1
265.08618	63.4
266.08987	1.3
279.06534	0.8
280.07376	2.8
281.11197	0.9
291.80695	0.4
295.09674	100.0
296.10037	0.6
297.11072	0.5
312.12494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97855	0.5
66.04993	0.4
70.04973	2.3
70.05316	0.5
120.24911	0.5
165.07069	1.3
166.07817	1.2
168.60789	0.6
177.07011	3.8
177.08942	0.7
178.07768	2.7
179.08675	2.9
181.06389	0.5
189.07014	1.7
190.07773	1.4
191.08611	4.9
193.06572	1.1
194.07300	5.9
195.08075	2.0
196.08717	0.7
204.05791	0.8
205.06500	10.8
206.07257	1.3
207.08063	2.0
209.06042	0.8
209.09683	2.6
218.07274	0.9
219.08046	4.7
221.05981	2.9
222.06764	9.6
223.07558	4.0
224.08278	0.9
233.05939	3.5
234.06702	0.7
235.07561	16.6
237.09160	4.6
238.09811	0.9
247.07558	2.2
250.06288	3.1
251.07120	3.0
252.07805	5.3
254.09338	1.0
263.07068	63.1
264.07687	4.2
265.08646	6.9
269.11758	1.9
280.07324	33.7
281.07761	0.6
283.13095	0.9
295.09683	100.0
296.10022	2.0
312.09219	0.8
312.12320	9.7
312.15994	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	311.2582
Annotation	AS 183
Peak:m/z	Relative Intensity
53.00302	1.0
53.03945	1.2
55.01868	2.3
55.05516	62.0
57.03441	26.3
57.07080	31.8
67.05512	8.9
69.07073	66.6
71.05309	1.0
71.05624	2.2
71.08640	17.9
71.82700	1.0
73.02909	2.3
79.05495	8.0
81.07061	13.0
83.04980	2.0
83.08627	60.2
85.06525	1.1
85.10193	7.5
86.37831	0.9
91.05505	1.5
93.07068	8.4
95.08612	10.0
97.06536	6.5
97.10180	43.5
105.07019	1.7
107.08629	6.1
109.10159	3.4
111.08105	2.1
111.11745	12.2
119.08580	1.3
121.10151	9.7
123.11697	2.3
125.09630	2.1
125.13289	2.6
129.05437	1.1
135.04410	1.9
135.11713	7.0
139.11172	2.1
149.13327	2.3
163.14816	3.4
209.11690	2.0
219.21103	1.7
237.11203	2.0
265.19501	1.8
311.19998	6.1
311.25836	100.0
312.26080	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	312.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02660	0.4
60.93068	0.4
61.14400	0.4
67.27008	0.4
67.29237	0.4
69.04532	0.4
70.07534	1.7
77.49994	0.4
81.88923	0.4
98.20869	0.5
121.39024	0.5
150.25085	0.4
165.06985	1.3
166.07782	1.0
176.06161	0.5
177.07007	9.5
178.07770	4.8
179.08586	6.0
189.07027	3.4
190.07750	1.4
191.08548	3.8
193.06488	0.6
194.07291	5.8
195.07967	0.6
196.08698	0.6
204.05724	0.8
205.06509	28.3
206.07172	1.8
207.08049	4.0
209.09650	2.2
217.06493	1.1
219.08037	3.8
221.06001	2.2
222.06770	11.5
222.08931	0.6
223.07451	2.5
224.08360	0.8
233.05984	10.7
234.06680	2.1
235.07553	78.5
236.08026	2.6
237.09116	10.6
247.07576	1.9
250.06268	3.3
251.07039	2.3
252.07800	2.8
263.07053	43.8
264.07767	6.1
265.08606	22.4
266.09085	0.5
278.09171	0.5
280.07330	11.2
281.07990	0.8
285.32706	0.4
286.60162	0.4
295.09671	100.0
296.10083	2.3
312.08774	0.6
312.12320	9.2
332.34668	0.5
334.92322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0917
Annotation	Methyl aristolate
Peak:m/z	Relative Intensity
51.61467	0.3
53.84967	0.3
55.01851	0.5
65.16797	0.3
67.96730	0.3
70.53257	0.9
82.20925	0.3
115.05461	0.3
119.04808	0.3
132.91547	0.3
139.05455	0.4
140.06213	0.4
141.06995	1.3
152.06189	1.6
153.06964	2.3
154.07791	2.3
155.05034	0.4
155.08528	0.9
156.09308	0.4
163.05478	0.4
164.06175	1.5
165.07007	11.2
166.07758	2.4
167.08601	2.7
168.05724	0.9
169.06464	1.3
170.07208	0.4
176.06200	1.1
177.07028	2.4
178.07799	1.6
179.08565	1.6
181.06479	2.9
182.07262	4.7
183.08040	3.1
192.05714	3.2
193.06505	19.3
194.07274	5.5
195.04387	0.5
195.08075	3.8
197.06027	2.7
198.06810	0.9
205.06502	3.2
207.08092	2.8
209.05997	2.3
210.06776	13.9
211.07523	3.6
212.08295	0.9
212.10211	0.4
220.05176	3.7
221.05984	28.7
222.06763	8.6
223.07539	5.8
224.04660	0.3
224.08255	0.6
225.05542	2.2
225.09088	2.5
226.06252	0.4
233.06036	1.3
235.07568	2.8
237.05481	8.6
238.06258	24.2
239.07025	5.1
240.07837	6.1
248.04700	0.6
249.05481	19.8
250.06270	8.8
251.07047	55.4
252.07523	1.0
253.08606	17.3
254.09055	0.4
261.05353	0.4
263.06989	1.2
265.05109	0.6
265.08411	0.6
266.05740	8.0
267.06537	6.9
267.09418	0.4
268.07275	3.9
268.09442	0.3
277.05051	0.3
278.05688	1.6
279.06549	16.6
280.07297	4.3
281.08090	21.4
282.08340	0.3
293.08047	0.4
294.08438	0.3
295.06158	0.7
296.06815	52.5
297.07147	0.9
304.16489	0.3
311.09143	100.0
312.09457	1.7
326.62204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53406	0.5
53.00991	0.5
57.28749	0.5
69.03422	1.0
87.08365	0.5
98.76123	0.5
124.07584	1.3
152.06233	1.8
153.07019	2.6
154.07797	2.4
155.08595	0.9
164.06212	1.2
165.07004	10.1
166.07777	2.1
167.08539	3.7
169.06538	1.1
176.06210	0.9
177.07034	4.0
178.07820	1.0
179.08615	1.9
181.06505	2.8
182.07294	3.9
183.08102	2.8
189.06963	0.8
192.05714	2.9
193.06505	15.8
194.07281	5.4
195.04471	0.6
195.08058	4.3
197.05957	1.8
198.06720	0.5
205.06471	5.3
206.07280	1.2
207.08125	2.2
208.05157	0.8
209.06075	1.9
210.06795	11.2
211.07555	3.3
213.05417	0.7
219.08124	0.9
220.05182	3.2
221.05998	27.3
222.06784	8.2
223.07579	8.3
225.05495	2.0
225.09172	1.6
233.06065	1.0
235.07555	5.3
236.04803	0.6
237.05490	7.6
237.09149	1.0
238.06274	20.0
239.07010	3.6
240.07863	7.3
249.05498	18.5
249.08069	0.9
250.06268	8.0
251.07063	48.9
252.07767	1.6
253.04909	0.9
253.08614	12.8
261.05579	0.7
263.07025	5.5
264.07590	0.8
264.16541	0.6
265.08661	1.0
266.05765	7.7
267.06491	5.1
268.07379	3.5
274.13461	0.6
278.05783	1.2
279.06561	18.4
280.07321	6.7
281.04877	1.1
281.08105	20.7
293.15030	1.3
294.08557	0.7
295.09625	5.2
296.06821	43.8
311.09171	100.0
312.09317	1.8
312.12451	1.3
323.00922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
53.96866	1.7
55.01878	3.5
55.05509	2.8
55.81533	1.4
57.03431	5.0
59.48143	1.6
61.02920	3.6
61.67464	1.7
68.99806	1.6
69.03436	25.4
69.07067	3.0
70.06589	2.9
71.01331	2.3
71.04996	2.8
71.55457	3.6
72.08132	3.4
72.32571	1.5
73.02901	3.6
79.05492	3.1
81.03417	10.3
81.04547	2.1
81.07045	2.4
84.08127	1.7
84.66113	1.8
85.02914	19.0
87.04481	3.3
91.05491	6.6
95.04974	4.1
97.02897	24.5
98.97578	4.1
99.04466	2.0
103.03947	4.5
103.05457	5.0
104.04984	1.6
105.07046	2.1
107.04926	3.4
109.02889	1.9
110.06054	3.4
111.04427	3.7
115.03954	5.0
115.05428	2.8
116.82220	1.6
116.98646	2.3
117.07043	4.1
119.04944	9.0
119.08604	1.8
121.06455	2.0
122.03628	4.5
122.06090	2.9
123.04449	4.6
127.03928	9.6
129.05472	2.0
131.04959	12.0
132.08136	2.1
133.06564	3.4
133.07632	10.8
135.04414	3.9
136.07605	4.0
137.05983	62.3
139.03795	1.9
141.06998	5.3
143.04971	3.4
145.06517	4.8
146.03690	2.7
147.04463	10.8
148.06290	2.8
149.06070	16.3
149.07068	3.8
151.03946	7.6
151.07545	5.2
157.06441	3.0
158.99721	2.2
159.04431	6.1
160.05174	4.6
161.06006	3.5
161.07114	100.0
162.03238	2.5
163.07541	6.3
164.04697	2.9
167.06996	3.9
169.05186	2.0
169.06531	7.6
171.04529	2.1
173.05873	2.1
173.07133	4.3
175.07520	5.3
175.08708	4.7
176.04654	2.4
177.05499	24.7
177.09081	2.6
179.07019	11.8
183.04373	2.5
187.07559	5.6
191.06874	20.9
191.08536	2.9
197.05986	7.7
201.10403	11.7
203.07004	7.0
213.05536	2.1
214.06253	2.1
215.07045	6.4
217.08620	2.9
221.08133	4.5
227.08269	2.2
229.08588	6.1
229.10004	2.3
233.08093	6.7
237.02849	2.3
239.08127	3.2
241.55992	1.7
245.09288	20.7
257.09326	29.5
275.10413	17.4
293.11429	23.7
305.09055	2.9
311.11905	11.2
311.15997	2.9
322.49802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0915
Annotation	Methyl aristolate
Peak:m/z	Relative Intensity
50.98783	0.4
53.58667	0.4
55.01865	0.6
55.94051	0.4
67.05508	0.5
68.99784	0.8
70.45474	0.9
85.02911	0.6
95.08623	0.4
98.20817	0.5
108.08103	0.8
110.06046	1.0
131.08539	0.5
141.06996	1.2
145.06499	0.4
152.06198	6.3
153.06982	3.6
154.07755	0.7
155.08543	0.5
164.07123	1.0
165.07005	8.0
166.07799	3.4
167.08572	11.2
168.05765	0.5
169.06477	1.4
169.10077	0.5
176.06247	4.6
177.07014	13.0
178.07774	2.1
179.04890	0.6
179.08551	4.1
181.06471	4.2
182.07292	3.6
183.08080	1.0
189.07080	1.6
190.08630	0.5
192.05684	1.3
193.06509	4.7
194.07286	2.8
195.08064	10.1
196.05292	0.4
196.08868	0.4
197.06068	2.5
197.09621	4.6
205.06496	20.1
206.07205	1.7
207.08066	3.7
208.05130	0.8
208.09743	0.5
209.06029	2.5
210.06819	4.8
211.07571	1.4
212.08226	0.7
217.06509	0.7
220.05196	5.9
221.05994	16.9
222.06784	2.9
223.07559	10.2
224.04668	0.5
224.08148	0.5
225.05524	2.0
225.09093	3.1
233.05966	11.0
234.06734	1.5
235.07526	3.2
236.04677	1.3
237.05508	4.4
238.06227	5.2
239.07025	1.7
240.07800	2.8
247.14444	1.1
248.04735	0.9
249.05493	6.3
249.12332	0.7
249.38811	0.4
250.06277	3.8
251.07053	28.4
252.07722	0.6
253.04935	0.9
253.08618	1.6
261.05441	4.1
262.06265	1.5
263.07010	4.2
265.04913	3.0
266.05762	11.1
267.06464	1.0
268.07291	1.7
277.04935	0.6
278.05719	1.2
279.06537	94.1
280.07202	5.8
281.08047	5.9
293.14935	1.3
295.03085	0.6
295.06055	3.9
295.09460	1.0
296.06805	22.8
311.09143	100.0
311.18695	4.4
311.90933	0.4
312.09427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1474
Annotation	SB 218655
Peak:m/z	Relative Intensity
57.98800	0.7
58.99589	11.5
69.04597	0.4
69.54256	0.7
69.54661	2.2
70.06587	0.9
72.11610	0.4
81.07053	0.6
83.43935	0.4
84.08175	0.5
86.99055	8.1
95.13139	0.4
98.21532	0.4
100.02207	59.3
105.00098	16.1
105.00822	0.5
105.06998	0.9
117.07067	0.4
119.08565	0.6
121.10148	0.4
124.07636	0.7
126.03806	0.4
129.06679	0.4
131.08598	0.6
131.51335	0.4
137.06041	0.4
138.09036	0.4
144.01175	0.5
146.02713	80.3
147.04329	0.5
149.04263	0.4
149.67157	0.4
164.07057	1.3
165.36809	0.4
165.90637	0.4
166.06528	0.6
178.03232	2.2
182.05934	0.5
183.06818	0.6
184.11212	0.4
187.07726	0.4
192.04599	0.9
194.05992	1.9
204.10075	0.4
205.06602	1.0
206.02710	0.9
207.08107	1.4
208.04326	0.4
210.05545	0.8
211.06310	1.6
213.04169	0.4
217.06442	0.6
220.03790	2.1
222.05511	2.3
226.05099	0.9
233.06035	0.6
235.07532	1.2
238.05096	1.8
239.05840	1.5
249.05518	0.4
250.04996	16.6
250.08864	0.8
252.06674	0.8
263.07156	1.0
264.06647	0.5
264.14316	0.9
266.04440	3.0
267.05270	8.0
278.04489	14.2
279.06528	0.6
279.09140	0.6
282.07700	0.8
292.15491	0.5
293.08243	2.3
295.04773	36.3
296.05176	1.1
310.07138	63.9
310.11118	3.4
310.14691	100.0
311.07596	1.4
311.15045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19590	0.5
70.08512	1.0
70.08905	1.1
139.33092	0.5
165.06911	0.6
176.06274	2.1
177.07008	11.4
178.07808	1.5
179.08595	4.4
186.34923	0.5
189.07008	3.3
205.06512	43.4
207.08113	3.6
211.42142	0.6
217.06496	0.9
222.06697	0.7
233.05992	25.1
234.46085	0.6
235.07561	51.5
237.09059	0.6
245.05865	0.9
251.07103	0.7
262.06271	0.5
263.07059	80.3
264.07321	0.9
293.08096	100.0
294.08664	0.6
307.51328	0.5
310.10806	0.9
310.41534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1291
Annotation	Sporovexin C
Peak:m/z	Relative Intensity
53.03946	0.4
54.25534	0.4
55.01862	0.6
56.05039	0.9
56.96556	1.3
57.03429	1.5
60.04518	1.1
61.02921	1.8
67.05513	0.8
69.03436	2.9
69.62550	1.3
69.62955	0.7
70.06607	1.8
71.05008	0.5
72.04516	0.9
72.08167	2.2
73.02919	2.4
73.05566	0.3
74.06100	0.7
81.03422	1.2
81.07057	0.4
83.04978	0.4
83.06113	2.0
84.04511	2.9
84.08180	2.6
85.02913	5.6
86.06078	0.4
86.09678	0.4
88.03986	0.7
91.05494	2.4
94.06557	0.8
95.04978	0.8
96.04483	0.5
97.02893	3.1
97.61252	0.4
98.06064	0.5
98.21458	0.9
98.97582	2.8
99.04472	0.7
100.03967	0.5
101.00867	0.6
102.05550	0.5
103.05449	0.5
105.07069	0.7
107.04952	0.6
109.02918	0.5
109.06537	0.4
110.06040	0.4
110.07143	0.8
111.04414	0.5
112.04040	0.5
114.05550	0.9
115.05473	0.4
115.44352	0.4
116.07053	0.4
116.98631	1.1
117.07065	0.5
118.06572	0.5
119.01922	1.0
119.04978	2.0
121.06494	0.6
122.06035	0.7
123.04464	0.9
127.03910	1.7
128.98575	0.6
130.05037	1.1
131.01920	0.5
131.04962	2.0
133.06512	1.3
133.07593	0.6
134.06023	0.7
136.05211	0.5
136.07581	2.4
137.05971	3.3
139.03932	1.8
140.04201	0.4
140.07089	2.0
143.01793	0.6
143.02750	1.3
143.04938	1.0
145.03505	0.5
145.04980	0.8
145.06474	1.2
147.04352	1.0
149.02858	0.5
149.07162	4.9
150.05530	7.8
151.03893	0.5
151.07553	12.2
154.04938	0.4
155.01918	0.5
158.99635	0.8
160.05247	0.5
160.07578	0.9
161.02962	0.7
161.06004	1.7
161.54887	0.4
163.06328	0.7
163.07550	2.7
164.07057	1.0
165.09119	1.3
167.07039	0.5
170.99733	0.5
171.02238	1.4
173.02936	0.6
175.07538	2.8
176.07048	1.0
177.00710	0.5
177.05331	0.5
177.06671	0.9
177.07889	0.7
177.09120	0.6
178.03291	0.7
178.04898	0.8
178.08655	7.4
179.07077	0.6
180.10103	0.5
182.08109	1.0
185.03027	0.6
187.07758	0.6
189.09166	0.8
190.08591	1.1
191.07068	1.5
191.09410	2.2
192.10242	3.3
193.08638	1.8
201.09175	0.5
202.08629	0.8
203.07123	0.4
204.07741	0.5
204.10229	1.1
205.08714	0.7
205.10558	1.6
205.57486	0.4
206.02797	0.5
217.08685	0.9
219.01767	1.1
220.06024	0.5
220.09763	1.2
221.05054	1.0
232.09709	1.8
232.14072	0.5
237.02875	0.8
240.46600	0.4
244.07002	0.4
245.05179	0.6
245.10339	0.5
246.11238	1.3
247.10777	0.5
250.10809	2.4
256.09897	0.5
263.07031	0.8
264.12253	1.3
264.14627	0.6
265.05954	0.6
274.10831	1.5
290.40793	0.4
292.11774	5.7
293.08121	1.0
293.11224	0.8
295.10397	0.7
307.06732	0.7
309.08664	0.4
310.12845	100.0
311.05948	0.4
311.12762	2.6
311.18323	0.5
312.73669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0711
Annotation	2-Hydroxy-8-methoxycepharanone A
Peak:m/z	Relative Intensity
58.99590	1.1
67.49696	0.2
69.03426	0.2
70.06585	0.3
71.56010	0.2
86.05180	0.1
86.99065	1.1
93.07030	0.2
100.02207	6.0
105.00096	1.8
111.60483	0.2
146.02713	9.0
151.07532	0.3
153.05727	0.2
153.52312	0.2
153.77991	0.2
154.06564	0.4
159.76088	0.2
164.04974	0.8
164.07069	0.5
166.06531	1.2
178.03253	1.1
182.06009	0.3
183.06793	1.2
187.07648	0.3
192.04456	1.6
194.06024	3.5
197.04660	0.5
198.05505	0.6
200.10651	0.3
204.10243	0.3
205.06479	0.3
205.08456	0.2
206.02719	0.3
207.08099	0.5
208.04074	0.4
209.04718	0.5
210.05525	1.2
211.06281	2.8
212.03464	0.3
213.04172	0.2
214.05040	0.3
220.03885	3.1
221.04639	0.2
222.05516	3.3
224.07047	0.2
226.05000	0.9
235.07564	0.5
236.07207	0.3
237.04053	0.8
238.02818	0.2
238.05008	3.1
239.05775	2.1
241.03763	0.8
248.03500	0.6
249.04539	0.1
250.05013	28.3
251.05379	0.5
252.06572	2.0
254.04546	0.7
260.12708	0.3
263.06937	0.3
266.04504	4.8
267.05289	12.3
268.05719	0.3
270.43689	0.2
278.04498	21.7
279.05182	0.7
279.09088	0.2
280.06079	0.2
282.07629	0.7
282.10965	0.2
292.06085	0.3
292.15445	0.7
293.08032	0.7
294.03992	1.0
295.04773	60.0
296.05191	1.6
297.02664	0.2
310.07104	100.0
310.14551	12.1
311.07303	1.7
325.69656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0711
Annotation	2-Hydroxy-8-methoxycepharanone A
Peak:m/z	Relative Intensity
50.85496	0.2
57.81286	0.2
64.68358	0.3
67.97918	0.3
69.65771	0.6
69.66172	1.5
80.46593	0.3
81.07049	0.2
90.00473	0.3
93.07018	0.4
126.69848	0.3
133.82117	0.3
141.92622	0.3
147.04369	0.4
148.04776	0.4
177.06978	1.9
178.07745	0.4
179.08630	0.6
183.06775	0.7
189.06958	0.5
195.21234	0.3
198.05290	0.4
205.06505	6.0
207.08000	0.5
210.05518	0.7
211.06331	2.3
211.67210	0.2
213.04373	0.3
217.06500	0.3
233.05983	4.6
235.07544	9.7
238.04959	1.9
239.05556	1.3
241.03645	0.6
250.08934	0.4
252.06485	0.3
256.05762	0.3
263.07040	15.8
266.04443	2.2
267.05249	13.0
280.06363	0.3
282.11304	0.5
293.08075	20.6
294.08640	0.4
295.04761	67.8
296.05127	1.2
310.07101	100.0
311.07446	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.60067	2.6
53.03953	5.5
55.01865	3.5
55.05514	25.1
57.03440	12.3
57.07086	5.4
59.06491	3.0
67.05512	60.4
69.03413	3.8
69.07091	19.3
69.07397	3.6
70.68769	2.4
70.99457	4.4
71.05008	4.2
71.08281	4.0
71.08640	51.8
79.05504	52.8
81.03419	11.8
81.07065	70.2
83.04980	11.8
83.08652	14.8
85.06557	4.2
91.05491	31.0
93.07056	59.7
95.04976	15.4
95.08610	52.7
95.09172	4.8
97.06532	10.9
97.10188	4.2
98.21281	4.1
99.08109	40.7
105.07048	26.3
107.04951	6.2
107.08609	35.9
109.06534	10.4
109.10180	22.5
117.07020	8.7
119.06137	3.0
119.08593	21.2
120.26093	2.5
121.06483	3.5
121.10153	32.5
123.11732	5.2
124.72575	3.0
129.07097	3.4
131.08582	12.8
133.10152	15.5
135.08034	3.7
135.11731	36.6
137.09647	6.6
141.09207	3.2
143.08569	6.7
145.10150	15.7
147.11726	8.3
149.13249	15.3
151.11217	20.5
153.12851	3.8
157.10168	8.5
159.11725	10.1
161.13242	13.0
161.14427	3.0
163.11180	9.3
163.14961	3.0
167.10732	5.9
169.10173	5.1
171.11662	4.2
173.13271	3.5
175.14902	4.2
177.12785	5.1
179.14331	100.0
185.13338	4.3
187.14900	4.7
189.12738	5.2
195.11827	3.3
205.06787	3.0
207.17421	3.3
221.15369	4.0
231.13676	6.5
259.20639	6.3
263.07077	5.1
263.18073	5.2
277.21671	52.7
291.23230	4.6
293.08258	3.6
309.18964	15.4
309.24756	4.7
310.06995	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01871	5.6
55.05505	4.2
57.03439	38.0
57.27849	1.7
58.19986	2.0
65.03935	2.4
67.05173	2.4
67.05505	31.5
69.03430	2.9
69.07060	5.0
71.04981	4.2
72.28011	2.0
77.27605	1.8
79.05488	13.7
81.03418	3.4
81.07055	14.5
83.08612	2.1
85.06548	33.5
91.05494	14.4
93.07057	14.9
95.04974	39.6
95.08596	8.9
97.10235	2.1
105.07017	12.8
107.04949	2.6
107.08572	12.8
109.06516	40.5
109.10164	4.8
111.08115	1.8
113.06009	100.0
117.07025	7.4
119.04964	3.1
119.08575	8.4
121.10117	3.1
123.08042	2.0
128.06192	2.0
129.06996	6.2
131.08568	8.5
133.10112	6.4
135.08055	32.6
135.11691	1.9
143.08551	5.1
145.10115	6.2
147.04407	9.7
147.08055	3.1
147.11711	2.2
149.09575	3.0
149.13251	2.4
155.08574	3.1
156.09309	1.8
157.10127	7.0
159.11702	4.9
159.79529	1.8
161.09645	6.3
163.11128	2.4
169.10175	3.4
173.13277	2.1
183.11707	2.1
185.13235	2.9
195.13924	2.4
199.14728	2.3
205.06528	2.2
207.11818	2.2
211.14841	2.3
217.15874	12.7
224.59773	2.0
227.17891	2.2
231.13892	2.9
235.07521	3.1
235.14867	3.0
245.18878	2.6
256.04803	2.0
263.07034	4.3
263.18210	2.2
273.18454	14.0
277.08539	2.8
281.10098	2.6
291.19556	48.4
293.08130	6.0
294.07932	1.9
309.11478	3.1
309.14804	2.7
309.18423	8.0
309.21896	3.9
310.07056	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	7.7
55.01876	16.4
55.05517	35.4
57.03439	5.9
57.07077	3.7
61.71890	2.8
65.03944	4.3
67.05175	4.9
67.05512	81.0
68.31648	3.5
69.03431	7.6
69.07072	29.5
71.04987	8.7
71.55807	4.4
79.05063	4.4
79.05500	46.1
81.03426	7.8
81.07067	100.0
83.04980	13.1
83.08617	8.1
85.02906	5.0
85.06544	8.7
91.05486	64.4
93.07061	58.0
95.04999	17.0
95.08069	3.1
95.08621	42.5
97.06525	7.9
97.10152	8.1
99.04447	7.2
105.03394	4.2
105.07043	59.2
107.04961	13.3
107.08608	60.5
109.06503	12.8
109.09462	5.2
109.10168	74.5
111.04411	4.4
111.08092	8.3
113.05976	5.4
117.07007	7.8
119.08605	26.8
121.06508	14.5
121.10186	17.6
122.90454	3.5
123.08085	12.7
123.11686	9.0
129.07002	7.1
131.08592	21.8
133.06538	6.8
133.10144	93.4
135.08090	11.2
135.11726	6.7
137.06023	4.7
137.09624	6.4
139.07536	9.4
143.08580	10.4
145.10132	13.4
147.04419	4.7
147.08075	11.1
147.11685	8.3
149.09621	9.8
151.07570	3.9
151.11198	58.6
155.08566	4.0
157.10152	9.5
159.08104	3.8
159.11685	9.9
161.09596	13.7
161.13223	8.9
163.11115	4.7
165.09137	4.0
167.08606	3.8
169.10136	4.6
169.12247	14.3
171.11711	12.2
173.13165	3.8
175.11183	4.3
176.79189	3.1
179.10728	4.9
181.10173	6.8
183.11636	5.6
185.13278	9.3
189.12823	5.3
191.03555	3.1
192.09267	3.6
193.10187	4.0
193.12254	4.8
199.14751	3.9
203.14371	4.1
205.06503	5.4
207.13815	3.8
227.17944	4.3
231.13841	4.4
233.05931	4.7
235.07567	10.4
245.18983	12.6
249.18504	3.6
255.17436	6.9
263.07056	10.8
263.20114	12.6
273.18561	36.0
291.19543	60.8
291.22495	5.7
293.08047	12.4
309.15085	5.9
309.18353	16.0
309.20975	13.8
309.25714	3.3
310.07059	13.3
310.10443	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05513	1.6
57.03439	10.4
59.04985	1.5
61.02944	2.4
67.05497	1.5
69.03447	5.6
70.06593	1.9
71.01357	2.0
71.04999	28.0
71.14775	1.7
73.02915	4.5
75.04485	12.6
78.93190	1.0
79.05490	1.1
81.03429	2.2
83.04987	8.0
84.08129	2.1
84.89098	1.1
85.02914	100.0
87.04484	2.1
91.05422	1.4
94.31395	1.0
95.04981	2.0
96.08171	1.0
97.02905	5.7
99.04445	2.6
100.95255	0.9
103.42929	1.3
107.08556	1.1
109.02866	2.0
111.04446	4.2
117.07033	1.0
122.06042	1.0
123.04357	1.5
124.07599	1.6
127.03923	4.3
129.05505	20.7
136.07544	1.7
145.04955	1.7
147.04448	2.7
147.06532	12.1
151.03947	1.0
157.10161	1.9
161.05992	1.5
165.02290	2.3
175.12332	1.8
178.03329	1.1
179.08444	1.1
182.04984	2.7
186.09085	1.3
188.09465	2.0
207.08086	1.4
208.02890	20.1
217.13548	1.4
228.10277	1.5
231.11279	1.6
231.13585	1.4
235.07582	3.2
243.11244	1.4
245.12862	2.5
248.14900	1.4
255.08578	1.1
255.11162	1.7
263.07001	3.2
263.17642	1.2
265.05048	2.9
273.12231	3.2
291.13397	6.2
293.08105	4.0
295.04846	2.6
309.07553	8.9
309.11301	1.4
309.14481	9.5
309.18027	5.6
310.07077	4.9
310.10709	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	309.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.8
57.03442	11.2
58.11327	1.5
59.04993	1.6
61.02919	2.2
64.20833	1.5
69.03423	6.3
70.33249	3.1
71.01348	2.0
71.04993	25.6
73.02925	6.0
75.04493	12.2
79.05492	2.5
81.03415	5.3
83.04980	9.9
85.02914	100.0
87.04483	2.6
91.05524	1.7
95.05003	2.6
97.02900	5.9
99.04475	3.8
109.02929	1.7
111.04430	3.0
115.05475	1.9
117.07015	3.3
119.04953	2.4
127.03925	4.4
128.06226	2.2
129.05490	20.6
129.07016	3.6
131.04924	2.0
133.06436	1.7
143.08575	1.7
144.05817	1.5
144.30583	1.7
145.04991	1.9
145.06525	3.7
145.10307	1.8
147.04446	7.9
147.06549	12.3
147.07655	1.7
147.08046	1.4
151.07584	3.9
163.07629	2.4
167.08620	1.7
169.06363	1.9
171.08029	3.2
173.05956	2.4
175.07576	5.4
177.09171	3.8
185.13326	2.0
187.07564	3.1
189.09116	3.1
191.07057	4.3
195.08102	2.7
199.07561	2.4
203.06857	2.4
203.10623	2.1
205.06520	2.1
215.06966	2.2
215.10764	1.7
219.10236	3.1
220.05232	6.3
227.10832	1.7
231.10147	2.3
231.13725	2.6
234.06790	4.6
235.07524	11.5
248.04662	4.3
249.09067	4.1
263.07001	33.2
263.09515	2.7
277.08578	5.9
279.06543	1.8
291.09018	2.3
291.12375	5.3
293.08023	22.9
309.05923	5.4
309.11255	4.1
309.16785	4.0
310.07141	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05491	3.1
55.97112	0.9
56.85891	0.9
57.03439	10.6
58.14114	0.8
58.27470	0.9
59.04998	1.2
61.02907	2.6
66.21411	0.8
69.03448	4.7
70.06592	1.3
70.08867	1.0
70.09205	3.7
71.01348	2.3
71.04995	31.2
73.02924	4.5
75.04488	13.6
81.03413	2.2
83.05001	7.9
85.02909	100.0
87.04463	2.9
91.05481	2.3
92.46107	0.9
93.07040	1.2
95.08569	1.3
97.02901	5.6
99.04430	3.0
101.06052	1.1
103.03947	1.7
109.02862	3.1
111.04456	5.2
113.62984	0.9
118.01901	0.9
119.04922	2.1
123.04401	1.4
127.03946	4.7
129.05486	22.6
139.03925	5.2
140.04272	1.4
140.07063	1.1
141.04382	1.7
145.04938	1.6
147.04422	10.0
147.06502	13.4
151.07561	2.2
152.06999	1.2
162.09123	1.2
165.03673	1.4
185.13184	1.3
203.83372	0.9
208.09680	2.9
213.12872	1.2
231.13844	2.8
245.12921	1.5
255.08656	1.1
263.11331	1.3
263.13983	1.5
273.12231	1.4
291.13409	3.3
291.19644	1.1
309.11270	4.7
309.14127	4.3
309.18152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.8
57.03442	11.2
58.11327	1.5
59.04993	1.6
61.02919	2.2
64.20833	1.5
69.03423	6.3
70.33249	3.1
71.01348	2.0
71.04993	25.6
73.02925	6.0
75.04493	12.2
79.05492	2.5
81.03415	5.3
83.04980	9.9
85.02914	100.0
87.04483	2.6
91.05524	1.7
95.05003	2.6
97.02900	5.9
99.04475	3.8
109.02929	1.7
111.04430	3.0
115.05475	1.9
117.07015	3.3
119.04953	2.4
127.03925	4.4
128.06226	2.2
129.05490	20.6
129.07016	3.6
131.04924	2.0
133.06436	1.7
143.08575	1.7
144.05817	1.5
144.30583	1.7
145.04991	1.9
145.06525	3.7
145.10307	1.8
147.04446	7.9
147.06549	12.3
147.07655	1.7
147.08046	1.4
151.07584	3.9
163.07629	2.4
167.08620	1.7
169.06363	1.9
171.08029	3.2
173.05956	2.4
175.07576	5.4
177.09171	3.8
185.13326	2.0
187.07564	3.1
189.09116	3.1
191.07057	4.3
195.08102	2.7
199.07561	2.4
203.06857	2.4
203.10623	2.1
205.06520	2.1
215.06966	2.2
215.10764	1.7
219.10236	3.1
220.05232	6.3
227.10832	1.7
231.10147	2.3
231.13725	2.6
234.06790	4.6
235.07524	11.5
248.04662	4.3
249.09067	4.1
263.07001	33.2
263.09515	2.7
277.08578	5.9
279.06543	1.8
291.09018	2.3
291.12375	5.3
293.08023	22.9
309.05923	5.4
309.11255	4.1
309.16785	4.0
310.07141	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.4
57.03439	0.6
67.05505	0.9
68.99800	1.2
69.03448	0.4
69.07069	1.2
69.37960	3.6
71.04989	1.4
80.98618	0.4
81.03426	0.6
81.07057	1.5
85.02916	4.0
91.05473	0.7
93.07056	0.8
95.08603	1.3
97.06494	0.5
98.20770	1.0
99.04382	0.4
105.07029	0.7
105.56420	0.5
107.08596	0.7
109.10172	1.2
119.04946	1.1
121.10149	0.7
123.08046	0.5
123.11826	0.4
127.03944	0.5
129.05489	1.0
137.06055	0.5
147.04454	2.6
152.06233	1.7
153.06982	2.0
154.33405	0.5
165.07013	8.6
165.09113	0.5
166.07802	0.7
167.08578	3.5
169.06567	0.8
176.06277	1.5
177.07021	3.1
178.07747	4.0
179.04958	0.6
179.08537	3.0
180.05693	0.5
180.09233	0.5
181.06516	1.6
189.06990	3.8
190.07751	4.5
191.08577	5.9
192.09360	0.8
193.06505	7.5
194.07178	0.8
195.08084	4.2
197.06068	0.5
201.07071	0.5
202.07817	1.4
203.08571	1.0
204.05704	1.6
205.06491	11.4
206.07278	3.3
207.08066	19.3
208.08858	6.8
209.06018	1.9
209.09581	0.8
210.06778	0.8
211.07487	0.8
212.04715	0.4
217.06548	1.4
218.07234	2.6
219.08055	7.3
220.08858	13.8
221.05992	24.2
221.09604	2.0
222.06761	2.4
222.10428	1.1
223.07564	13.6
223.11101	0.5
225.09181	1.7
231.13838	0.5
232.05106	1.1
233.05974	10.7
234.06595	3.2
235.07558	12.3
236.08324	18.6
237.05463	0.8
237.09113	1.6
238.06303	0.8
238.09940	0.8
239.07060	1.6
245.05974	0.9
246.06747	1.1
247.07549	11.0
248.08360	14.1
249.05495	12.6
249.09166	2.0
250.06229	0.9
250.09875	1.7
251.07056	14.2
251.10701	47.2
252.07829	0.5
252.11006	0.7
253.08701	1.0
260.07907	0.5
261.05521	4.0
261.09103	0.8
262.05838	3.0
263.07056	11.0
264.07822	14.4
264.10599	0.7
265.08572	3.3
266.05807	1.8
266.09207	1.6
267.06528	1.2
276.07788	1.1
277.08612	5.3
278.09396	24.7
279.06601	35.0
279.10178	100.0
280.07138	1.0
280.10492	1.7
281.07959	1.0
281.11746	0.8
291.06406	0.7
291.19260	0.6
292.07010	1.9
293.08203	2.6
294.08807	7.2
309.07578	41.2
309.11209	81.8
310.07202	3.6
310.10944	2.4
315.46857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15036	0.4
55.05515	0.7
57.03436	0.6
67.05497	0.7
68.12475	0.4
68.99780	1.2
69.03397	0.4
69.07060	0.8
71.04996	0.5
71.29150	0.7
79.05508	0.7
81.03406	0.5
81.07052	1.1
83.04984	0.5
85.02906	3.3
85.38589	0.4
91.05447	0.5
93.07040	0.7
95.08617	1.3
105.07035	0.9
107.08573	0.5
109.10137	1.0
110.61317	0.4
119.04942	0.6
119.08587	0.7
124.94623	0.5
135.11739	0.5
147.04425	2.4
152.06216	1.4
153.06958	2.3
163.07556	0.7
163.74393	0.4
165.05731	0.8
165.06996	8.1
166.07657	0.5
167.08583	3.6
169.06432	0.5
176.06151	1.0
177.06999	3.3
178.07706	3.1
179.04883	1.0
179.08539	3.5
180.09282	0.9
181.06479	2.0
182.07207	0.6
183.48344	0.4
185.06107	0.4
186.27173	0.5
189.06995	3.6
190.07767	4.3
191.08588	6.3
192.09254	0.7
193.06502	8.6
194.07198	0.6
195.08076	3.8
202.07768	1.3
203.08539	0.9
204.05692	1.8
205.06505	11.1
206.07297	2.6
207.08055	17.0
208.05313	0.5
208.08841	7.7
209.05997	2.6
209.09695	0.4
210.06717	0.6
211.07558	1.2
217.06451	1.3
218.07277	2.6
219.08090	7.3
220.05505	0.5
220.08841	13.7
221.05992	26.6
221.09261	2.7
222.06761	2.1
222.10406	0.8
223.05443	0.9
223.07559	13.9
223.09732	0.8
225.09120	1.6
231.08148	0.6
232.05063	0.7
233.05975	10.8
234.06570	3.0
235.07547	12.7
235.09772	0.9
236.04729	0.8
236.08316	17.4
236.38579	0.4
237.05487	1.2
237.09105	1.7
238.06137	0.8
239.07018	2.0
246.06709	0.7
247.07529	9.6
248.08340	13.0
249.05495	13.2
249.09068	2.5
250.06145	0.9
250.09837	1.6
251.07028	14.0
251.10683	47.5
252.07845	0.5
252.10905	0.6
253.08701	0.6
261.05435	3.2
261.07904	0.4
261.09143	0.5
262.06055	4.1
263.07065	9.9
264.07843	13.3
265.04834	0.5
265.08676	3.0
266.05658	1.6
266.09082	1.0
267.06537	1.0
276.07678	1.0
277.08633	6.2
278.09384	25.0
279.06561	38.4
279.10144	100.0
280.07236	1.1
280.10538	1.4
281.07950	0.8
281.11862	0.8
282.11407	0.8
291.06396	0.7
292.06866	2.4
293.08151	2.7
294.08771	6.5
309.07541	43.1
309.11172	75.1
310.07248	4.8
310.11075	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	309.0758
Annotation	Edulin
Peak:m/z	Relative Intensity
61.97065	0.2
67.03574	0.3
68.99787	2.4
70.91912	0.6
71.17995	0.2
73.60172	0.2
85.02909	0.5
91.05443	0.2
104.99306	0.2
121.06541	0.2
124.52416	0.2
141.06992	0.4
147.04356	0.3
152.06219	2.6
153.06990	4.5
154.07710	0.3
155.04929	0.3
165.07001	15.0
166.07716	0.9
167.05016	0.2
167.08566	6.8
169.06480	0.5
169.10199	0.4
176.06242	1.3
177.07016	5.2
178.07820	0.6
179.04816	0.4
179.08614	1.6
180.05762	0.6
181.06485	1.8
183.08060	0.5
185.05959	1.1
189.06998	0.4
193.06497	10.8
194.07170	0.4
195.08070	6.2
197.06036	0.4
205.06493	8.7
206.07137	0.3
207.04411	0.4
207.08089	0.9
208.05196	0.6
209.05998	4.6
210.06747	1.3
211.07538	1.1
213.05403	0.5
221.05984	44.8
222.06644	1.5
223.07539	27.8
224.07977	0.6
225.05469	0.7
225.09102	2.6
233.05972	11.4
234.06606	0.5
235.07524	2.9
236.04697	1.0
237.05447	1.8
237.09149	0.5
238.06154	1.4
239.07016	0.7
249.05476	18.8
250.06067	0.7
250.08502	0.2
251.07040	25.2
252.07465	0.8
253.08627	1.1
261.05478	8.2
262.06192	0.7
263.07065	4.3
263.33945	0.2
264.07690	0.3
264.68500	0.3
265.04886	1.1
266.05722	4.0
267.06622	0.3
278.05801	0.6
279.06522	80.1
280.06921	1.6
281.05347	0.2
281.07980	1.5
282.11295	0.3
291.06421	1.7
292.07251	0.9
293.08044	1.7
309.07562	100.0
310.07822	2.0
310.10852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2222
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
50.69668	2.3
53.03959	13.8
55.01865	5.9
55.05515	68.2
56.05033	6.3
57.07051	3.8
59.04988	2.4
65.03949	7.8
67.05168	3.9
67.05505	45.8
68.05034	3.6
68.05849	2.6
69.03426	4.0
69.07073	100.0
69.92796	11.4
70.06615	3.6
71.04974	3.1
79.05499	88.5
80.05032	18.3
81.07063	36.8
82.06583	10.5
82.07372	2.3
83.04979	6.9
83.08614	26.0
84.04515	2.6
85.06533	2.7
89.01555	2.2
91.05487	41.9
92.04998	18.7
92.45107	2.2
93.05807	15.7
93.07049	55.8
94.06570	11.9
95.05000	12.7
95.08617	16.6
96.04491	5.7
96.08980	2.2
97.06543	3.4
97.10182	31.8
98.06060	5.1
105.04528	5.6
105.07041	17.0
106.06576	29.7
107.07333	5.2
107.08607	19.5
108.08128	7.2
109.06531	3.4
109.10183	6.5
110.06030	2.8
111.08081	3.4
115.05443	5.3
117.07030	15.6
118.06542	11.1
119.07339	3.4
119.08588	8.1
120.08124	20.9
121.10129	15.6
122.09643	3.7
124.12026	2.3
125.09640	25.8
129.07037	5.3
131.08549	20.4
132.08092	6.7
133.08867	6.7
133.10124	6.3
134.09659	9.9
135.11649	5.3
136.11185	2.9
138.12782	4.6
143.10732	3.5
144.08095	2.7
145.10098	2.9
146.09625	5.2
147.10461	2.5
147.11703	3.1
148.11215	98.9
149.13295	4.4
157.10130	3.1
158.09641	2.3
159.11731	11.5
163.14949	2.3
165.12820	6.3
166.13086	7.9
169.10127	2.7
176.14363	31.0
185.13315	3.3
186.12807	8.5
204.13824	32.2
204.15643	3.2
222.14903	33.6
250.08652	10.3
272.20200	5.3
278.07968	4.0
280.09708	14.5
290.21164	89.0
291.21631	3.6
308.05576	14.4
308.09268	17.1
308.17334	2.1
308.18982	3.3
308.22156	24.5
313.20325	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	309.0758
Annotation	Edulin
Peak:m/z	Relative Intensity
51.88552	0.3
53.10449	0.3
67.05449	0.5
68.95464	0.3
68.99706	1.0
69.03362	0.5
71.04926	0.6
71.56170	0.4
71.56566	0.6
81.03358	0.6
85.02808	1.8
107.04904	0.4
109.02827	0.4
115.05394	0.4
139.05423	0.5
141.06883	0.3
147.04330	0.7
152.06224	6.9
153.06995	4.4
154.08600	0.7
165.05586	0.7
165.07001	10.9
166.07834	2.5
167.08572	12.9
169.06432	1.0
175.08603	1.0
176.06213	4.9
177.06995	13.9
177.10501	0.4
178.07724	1.0
179.08549	0.8
181.06509	1.7
193.06465	7.4
194.07198	1.7
195.06290	0.7
195.08064	13.7
197.05852	0.5
204.05626	0.5
205.06488	23.2
206.06880	0.7
207.08069	0.5
208.05127	0.5
209.05879	1.1
216.68350	0.4
221.05975	31.1
222.06711	2.0
223.07549	21.1
233.05991	10.2
234.06694	1.4
235.07544	0.8
236.04628	1.5
237.05400	1.0
239.06921	0.4
249.05466	11.2
250.06247	1.3
251.07036	33.1
252.07368	0.5
261.05481	4.1
262.06134	1.2
263.07004	2.0
277.08533	0.6
278.05756	1.3
278.09396	1.9
279.06525	100.0
280.06927	2.3
291.13293	0.9
293.08200	1.4
294.08905	2.1
309.07605	78.1
309.11014	4.3
310.07733	1.6
310.11017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.8
55.01861	6.9
55.05515	80.8
56.05025	3.1
57.07072	2.2
59.05000	3.0
65.03922	5.5
67.05505	32.0
69.03433	3.7
69.06726	2.8
69.07072	39.7
70.06579	2.5
71.55103	4.1
76.02242	2.5
77.03950	2.3
79.05496	100.0
80.05021	12.3
81.07063	32.9
82.06591	17.7
83.04980	4.9
83.08210	2.5
83.08632	29.6
84.04491	2.8
91.05483	40.1
92.05016	13.7
93.05783	6.0
93.07050	69.2
94.06562	9.0
95.04968	11.4
95.08599	8.2
96.04462	3.0
97.10170	44.4
103.05484	4.6
105.04531	5.1
105.07027	18.1
105.32574	2.0
106.06557	24.4
107.07357	3.5
107.08604	19.2
108.08130	3.8
109.06526	2.7
109.10149	4.5
115.05525	2.5
116.06226	4.1
117.07012	10.4
118.06511	7.0
119.06026	2.1
119.07368	2.6
119.08556	10.6
120.08116	12.8
121.10146	20.0
125.09632	44.0
129.07002	8.3
131.08586	20.1
132.08087	5.5
133.08858	6.0
133.10152	3.5
134.09624	5.6
135.11725	2.9
138.12785	3.2
141.07024	2.9
141.65340	2.0
143.08542	8.5
143.10667	4.7
143.64600	1.9
145.10110	4.7
146.09702	5.6
148.11208	52.9
149.05977	3.1
157.06514	2.2
157.10103	6.2
159.11719	6.6
162.12868	2.1
165.07057	2.2
176.14371	10.1
185.13263	10.6
193.10017	2.8
195.11703	6.1
204.13821	9.4
213.12613	2.9
217.17958	2.1
222.14948	15.7
231.13866	8.2
250.08640	4.6
278.08075	4.3
280.09750	13.4
290.21167	34.6
308.05518	9.1
308.09219	11.5
308.18423	4.0
308.22046	8.8
309.18503	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	308.0557
Annotation	Oxocularicine
Peak:m/z	Relative Intensity
59.40274	0.1
59.40566	0.1
61.36100	0.1
70.06601	0.1
71.57906	0.2
84.04460	0.1
85.02906	0.3
91.05486	0.1
126.03740	0.2
138.85220	0.1
139.02135	0.4
146.02727	0.3
164.04915	0.2
165.03734	0.8
166.06541	0.5
167.07048	0.1
175.75174	0.1
178.06551	0.2
179.04987	0.1
191.08138	0.1
192.04387	0.3
194.06053	0.8
195.06526	0.1
198.05531	0.2
206.06151	0.5
210.05522	0.2
220.03958	0.2
222.05525	3.0
223.06296	0.6
224.07104	0.6
226.04951	0.8
234.05536	0.5
238.05096	0.2
248.03281	0.2
250.05014	7.1
251.05780	1.9
252.06628	2.3
254.04515	0.8
262.05035	1.8
266.04553	0.2
278.04489	4.2
279.05246	1.5
280.06061	6.6
282.03964	1.3
294.03677	0.1
306.04016	1.1
307.04645	0.1
308.05545	100.0
309.05856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0555
Annotation	Oxocularicine
Peak:m/z	Relative Intensity
57.07076	0.4
59.05005	1.9
60.91581	0.2
67.66720	0.2
69.07090	0.3
71.11787	0.3
71.12128	0.4
79.05508	0.2
81.07059	0.4
93.07039	0.2
95.08590	0.4
96.79821	0.2
99.91637	0.2
105.07056	0.2
106.07382	0.3
148.96965	0.2
158.91074	0.2
160.12024	0.3
166.06491	0.3
173.15392	0.2
194.06026	0.9
198.05548	0.3
206.06221	0.3
220.03949	0.2
222.05518	2.6
223.06311	0.8
224.06947	0.6
226.05026	1.0
234.05574	0.5
236.07195	0.2
236.53470	0.2
238.05247	0.3
250.05020	4.8
250.08707	0.5
251.05725	1.7
252.06528	2.3
254.04524	1.3
262.05029	1.5
278.04526	2.8
278.07605	0.4
279.05447	1.2
280.06091	7.0
280.09677	1.6
282.03955	1.7
306.03845	1.0
308.05554	100.0
309.05844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03944	2.2
55.01862	3.0
55.05513	16.9
57.03426	1.7
57.07084	2.4
58.20036	1.2
59.04996	3.9
59.70771	0.9
65.03947	1.5
67.05173	1.9
67.05508	25.1
68.88696	1.0
69.03432	2.1
69.07069	13.6
70.63484	2.9
71.05006	9.6
73.06566	1.8
79.05499	26.2
81.03423	1.8
81.06581	1.7
81.07063	30.8
83.04985	4.3
83.08640	6.8
85.06532	3.8
87.08074	1.0
88.11385	1.0
88.30093	1.0
91.05487	33.8
91.34113	0.9
93.07050	32.2
95.04955	7.8
95.08613	23.5
97.06538	9.1
97.10166	2.5
99.08088	3.0
103.05505	1.3
105.07040	41.0
107.08604	21.9
109.02835	1.1
109.06525	19.1
109.10165	14.8
110.07317	2.1
111.04385	1.7
111.08086	4.3
117.07042	11.1
119.08591	35.0
121.02877	3.8
121.06519	8.5
121.10162	12.6
123.08083	11.8
123.11716	5.0
125.09631	2.3
128.06261	1.8
129.06993	3.0
130.07819	1.3
131.08565	12.3
133.09129	1.4
133.10132	22.0
135.08063	10.6
135.11717	7.6
137.09604	9.7
139.03914	1.5
141.06989	1.4
143.08580	3.4
145.10135	14.1
147.08110	1.7
147.11694	18.8
149.09602	7.3
149.13295	3.4
151.11194	15.6
153.59515	1.1
155.08556	4.0
157.06506	1.3
157.10136	4.2
159.08089	1.6
159.11714	10.3
161.09653	2.7
161.13286	6.7
163.07498	1.3
163.11195	11.6
163.14842	1.9
165.12740	12.7
167.10680	1.3
169.10139	4.9
171.11722	3.9
173.09686	1.8
173.13281	6.0
175.11224	2.7
175.14789	1.7
177.12721	4.9
178.07886	1.1
179.14317	3.5
183.11714	4.3
185.09615	1.3
185.13272	2.0
187.11195	2.2
187.14813	4.4
189.12738	1.8
191.14342	2.4
192.09447	1.0
193.12260	1.5
197.13287	4.8
201.12761	2.5
201.16518	1.6
203.14270	1.1
213.16338	2.2
215.14330	2.6
215.18010	1.5
218.07323	1.3
219.07988	1.1
219.13863	1.3
226.13138	1.2
229.19534	7.3
233.15338	1.9
239.18047	10.6
247.17059	1.2
247.20622	3.8
249.11224	2.6
249.18440	1.9
257.19052	12.7
275.20068	46.7
280.09760	3.3
289.17941	3.6
289.21390	1.6
307.09573	3.1
307.15506	3.5
307.22693	100.0
308.05542	10.7
308.09195	4.1
308.22977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03939	2.2
54.58226	0.8
55.01872	2.2
55.05264	1.2
55.05513	17.9
57.03452	1.9
57.07077	6.4
59.05008	1.2
65.03927	1.3
67.05508	31.6
69.03424	2.3
69.06721	1.6
69.07069	19.4
69.70005	5.4
71.04996	3.1
71.08649	1.0
74.06077	0.9
75.04046	0.9
79.05495	11.9
81.03418	1.9
81.07059	100.0
82.07359	0.9
83.04958	2.1
83.08620	10.7
85.02902	1.7
85.06539	3.2
88.07607	1.1
91.05476	7.8
93.07047	17.3
95.04978	2.4
95.08611	88.5
97.06522	4.2
97.10182	9.6
98.20682	0.9
99.04464	2.0
99.08075	2.1
105.07027	11.6
107.04958	2.1
107.08601	15.8
109.06528	3.2
109.10163	47.2
111.04439	1.6
111.08083	3.6
111.11727	2.5
113.06036	1.2
115.05473	1.3
117.07052	2.4
119.08576	9.5
121.02783	1.0
121.06505	4.0
121.10139	14.1
123.08051	2.6
123.11714	23.1
125.09629	3.9
125.13226	1.2
127.03848	1.3
127.07623	1.4
129.07056	1.5
131.08580	4.9
133.10118	5.6
135.08052	4.0
135.11719	7.3
137.09607	2.7
137.13251	10.8
139.03888	5.3
139.11157	2.5
143.08582	2.1
145.10089	5.1
147.11681	4.7
149.06023	1.2
149.09637	2.6
149.13220	5.3
151.07581	1.6
151.11172	3.3
151.14809	11.2
155.08568	1.7
157.10095	2.6
159.08011	1.8
159.11702	5.8
161.13231	4.2
163.07585	1.7
163.11215	2.4
163.14880	3.1
165.12741	2.1
166.07777	1.2
167.08574	1.2
168.09435	1.3
169.10173	2.6
173.13290	4.3
175.11200	1.1
175.14787	2.6
177.12784	1.7
179.10635	1.0
179.14378	1.9
181.04990	1.4
181.10152	1.0
181.12177	1.1
183.11740	2.3
185.13261	1.4
187.11113	1.9
187.14848	1.8
191.08253	1.9
191.14220	1.4
191.17920	2.2
193.15872	1.8
195.13751	1.2
197.13467	0.9
201.09195	1.1
201.12700	1.3
201.16391	2.4
203.10699	1.2
209.13332	1.3
209.15355	1.1
211.11168	1.2
218.07286	1.6
219.08072	1.6
219.10182	0.9
225.16351	1.1
229.12177	1.6
229.19510	1.2
233.19069	1.5
233.22704	1.1
237.18559	1.8
243.17422	1.5
247.07500	1.3
250.08623	1.9
251.20067	2.3
252.06499	1.1
261.18625	2.2
264.07849	1.3
271.16919	3.4
271.24200	1.8
279.26929	1.1
280.09720	4.2
286.31601	0.9
289.18231	5.0
289.25296	5.0
292.07364	1.3
307.09900	5.1
307.15588	3.3
307.19104	5.1
307.23129	2.0
307.26468	22.0
308.05484	4.9
308.09198	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	307.129
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.05178	0.3
52.33933	0.4
55.01864	1.4
66.60927	0.4
67.05509	0.5
67.33359	0.4
69.07076	0.6
69.64664	0.8
69.65083	1.8
76.62572	0.3
79.05483	0.6
85.02881	0.7
91.05460	0.9
93.07000	0.5
94.06575	0.8
95.04968	0.4
96.04535	0.5
97.02907	0.5
97.06499	0.4
98.06046	0.7
103.03986	0.4
104.17284	0.3
105.07011	0.4
107.08601	1.0
108.04462	1.2
122.06038	2.2
123.04465	0.7
124.03944	0.4
124.07579	0.7
132.08072	0.9
133.10129	0.4
133.73193	0.4
135.04393	0.5
135.08047	1.7
136.07570	1.2
138.05487	0.5
139.03918	0.4
140.07043	2.3
144.08113	0.5
146.06013	0.7
146.09615	0.6
148.07616	0.7
150.09195	0.5
153.06940	0.5
156.08144	0.6
157.06519	0.4
159.08047	0.6
159.09215	1.0
160.07567	1.9
161.05891	0.4
162.09131	0.6
163.08690	1.0
164.07057	0.5
167.07025	0.7
168.06572	2.0
170.06010	0.5
172.07733	0.6
173.10797	0.4
174.09180	2.4
176.07141	0.8
177.10266	1.9
178.08652	14.4
182.08183	1.0
183.08093	0.4
184.06215	0.4
184.07649	2.2
186.09250	0.6
187.08759	1.1
188.07091	4.1
191.08205	1.2
198.09134	1.6
201.06624	1.0
201.10307	3.0
202.08685	5.1
203.11852	0.4
204.10287	0.8
205.09750	3.6
206.08063	1.9
212.07126	1.3
214.07591	0.4
215.08180	0.5
216.10297	2.8
217.09872	0.5
219.07669	1.2
219.11276	4.7
220.09726	1.9
226.08640	2.4
228.10316	0.5
229.09740	5.4
230.08104	2.6
243.11298	1.6
244.09761	3.3
247.10837	10.8
248.09204	1.2
250.40474	0.4
254.08080	0.4
261.12387	2.1
262.10760	2.0
265.11838	12.6
265.14673	0.6
271.10855	1.9
272.09180	1.1
279.13449	0.5
289.11835	17.0
290.10138	1.0
307.12894	100.0
308.05579	1.3
308.13257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0811
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
53.00303	0.6
53.03934	0.3
55.01867	0.3
65.03941	1.2
67.05496	0.6
68.99785	0.9
69.54311	1.1
69.54729	0.6
78.45926	0.2
79.05481	0.5
83.04979	0.5
86.77227	0.3
93.03396	1.0
95.04971	1.4
103.05527	0.3
107.04956	1.2
111.00780	0.3
111.04446	1.7
121.02858	1.1
123.04432	1.2
127.03909	0.8
131.04941	1.1
133.02881	1.3
135.04425	2.9
139.03908	100.0
140.04248	0.9
145.02867	0.6
149.05991	0.6
151.03912	3.9
153.01797	0.4
153.05490	1.2
159.04433	2.3
163.03918	8.4
169.04955	1.8
177.05478	3.0
177.70305	0.2
181.04956	4.5
189.68094	0.2
195.06544	2.7
205.05016	1.0
223.06084	0.9
247.06061	0.6
283.54047	0.2
289.07034	0.9
307.08066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97807	5.5
62.70632	4.3
63.81549	5.0
64.03605	4.0
67.01331	4.8
70.88950	5.6
70.89294	8.2
71.54074	4.4
120.43249	5.4
145.27269	4.8
158.46265	5.0
307.07785	100.0
309.33994	4.8
319.69427	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	307.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28566	0.3
52.88083	0.3
53.00310	0.7
53.03943	0.3
55.01867	0.7
58.77940	0.3
59.77434	0.2
63.46062	0.2
65.03941	1.1
67.05494	0.6
68.99791	1.2
69.03445	0.6
69.49802	1.9
69.95248	0.2
79.05499	0.4
81.03415	0.4
83.04959	0.5
85.02889	1.0
93.03419	0.6
95.04997	1.7
97.02888	0.7
99.04453	0.3
103.05471	0.6
107.04949	1.0
111.00786	0.4
111.04463	2.0
117.03417	0.4
121.02870	1.1
121.06545	0.3
123.04459	1.1
127.03955	1.2
131.04964	0.8
133.02878	1.4
135.04425	2.0
135.50648	0.2
139.03914	100.0
140.04240	0.8
145.02811	0.5
147.04398	0.5
149.06004	0.9
150.89684	0.3
151.03928	4.3
153.01884	0.5
153.05499	1.1
159.04440	2.9
163.03926	9.5
169.04990	1.9
177.05466	3.4
181.04997	6.1
191.07083	0.4
195.06567	2.9
205.05026	0.7
223.06055	1.2
229.08733	0.3
229.12233	0.3
247.06149	0.7
265.07211	0.3
289.07120	1.0
307.08011	0.6
307.12250	0.4
307.16016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12621	0.7
71.56629	1.0
75.41958	0.7
81.78731	1.2
101.00877	2.4
105.95451	0.9
119.01943	5.3
122.89502	0.9
135.99870	0.8
158.99886	1.7
177.00966	12.4
201.00955	1.6
208.81044	0.8
217.04088	2.6
219.02029	16.5
225.00996	2.3
243.01991	9.2
261.03076	100.0
262.03287	2.9
284.04697	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	306.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.67791	0.3
55.01870	0.8
55.05503	0.7
57.03451	2.0
57.11147	0.3
58.99583	0.9
61.02928	2.5
65.03947	2.3
67.05527	0.4
68.05030	2.7
69.03082	0.4
69.03441	5.6
71.01357	0.4
71.04989	0.9
71.39933	0.7
71.87759	0.3
73.02945	1.5
74.06082	0.4
75.42419	0.3
76.43291	0.3
81.03431	2.0
81.07056	0.9
83.04967	0.3
83.08623	1.1
84.04469	0.3
85.00724	0.3
85.01160	2.4
85.02914	14.8
87.04467	1.1
91.03938	0.7
91.05443	0.4
97.02908	3.3
98.00658	2.5
99.02688	4.1
99.04462	0.9
99.08100	0.5
101.02361	0.3
103.03962	1.4
109.02878	1.4
110.44972	0.4
111.04393	0.4
112.02197	0.4
113.02962	3.3
123.04449	0.4
124.98013	0.3
126.03752	26.5
126.09179	1.5
127.03775	3.2
127.04614	1.6
133.02907	0.4
135.04376	0.4
137.05971	0.7
139.03912	16.4
140.04266	1.0
144.04794	100.0
144.10207	7.1
145.05002	2.0
151.03934	0.5
151.07562	1.5
157.06476	0.4
157.55685	0.3
163.03926	1.8
168.06595	0.6
178.08665	0.8
181.04965	0.8
186.05833	3.1
195.06483	0.4
199.07658	0.7
213.05765	0.3
214.08757	0.3
216.06999	0.4
216.10085	0.3
223.06021	0.4
260.12894	0.7
288.08981	0.6
288.12225	0.7
289.07285	0.5
306.10043	12.1
306.13394	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	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
55.01876	0.1
55.05498	0.2
56.34624	0.1
57.07066	0.2
58.02947	0.3
59.04996	0.1
65.03931	0.2
66.04717	0.2
67.05491	0.3
69.07074	1.4
70.86436	0.2
79.05501	0.8
81.07057	1.1
81.45497	0.1
83.08610	0.2
84.08129	0.2
88.73054	0.1
91.05488	0.6
93.07037	0.5
94.04184	2.3
95.04935	0.1
95.08625	0.4
97.06528	0.5
100.07629	0.2
105.07048	0.3
107.04988	0.2
107.08592	0.7
109.06506	0.5
109.10181	0.5
112.07579	0.1
114.09178	0.5
119.04960	0.1
121.48829	0.1
122.03652	6.3
123.11663	0.3
126.09122	0.4
133.10130	0.6
135.04398	0.1
135.11684	1.2
137.05980	100.0
138.06311	0.8
138.12822	0.1
147.11690	0.1
151.11191	0.3
153.12756	1.3
165.12735	0.2
168.36511	0.1
170.15405	2.2
182.15425	2.4
213.34412	0.1
306.20673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2479
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03936	2.5
54.53616	1.0
55.05516	30.1
57.03429	2.4
57.07087	5.6
59.05003	1.4
65.03933	1.7
67.05179	1.3
67.05508	22.5
69.03424	3.0
69.07073	38.1
70.06575	1.8
70.71843	2.3
71.04988	2.7
71.08616	2.4
73.06573	1.6
79.05499	21.9
81.07063	55.1
83.04965	3.3
83.08626	13.7
85.02888	1.5
85.06537	3.0
91.05490	18.2
93.07051	74.6
95.04982	8.0
95.08614	64.3
96.08941	1.2
97.06525	4.5
97.09606	1.8
97.10175	16.4
99.04449	1.8
99.08097	2.4
102.96256	1.1
105.04550	1.2
105.06382	1.7
105.07043	24.8
107.08603	94.7
109.06517	7.8
109.10166	29.2
111.08068	2.2
111.11699	4.4
117.06973	1.8
119.08598	21.0
121.06506	2.4
121.10152	57.8
123.08062	5.7
123.11726	21.5
125.09648	2.5
127.11179	1.2
131.08553	3.1
133.10121	16.3
133.27608	1.0
135.08066	1.6
135.11702	27.2
137.05959	1.7
137.09641	2.6
137.13275	5.6
139.11174	3.6
142.07716	1.0
143.08510	2.0
143.10678	2.1
145.10132	4.4
147.08142	1.4
147.11713	12.6
149.09634	2.9
149.13269	100.0
151.07593	1.7
151.11188	6.0
151.14792	1.2
153.12660	1.8
156.13451	1.2
157.10138	3.0
159.11690	5.2
161.09579	1.9
161.13269	9.8
163.11241	1.5
163.14851	18.3
165.12735	3.3
171.11760	2.1
173.09625	1.3
173.13297	2.7
175.11174	2.8
175.14862	5.6
177.12827	1.3
177.16328	3.3
179.10692	1.1
181.12299	1.8
185.09669	1.6
185.13257	2.0
187.14842	1.6
189.12662	1.5
189.16376	4.7
191.14287	1.6
191.17973	1.3
193.12329	1.6
193.15823	1.4
195.13840	1.7
199.14787	1.9
200.20111	1.4
201.16397	1.9
201.63310	0.9
203.18060	1.7
207.17514	1.6
209.15346	2.5
213.16383	2.1
214.05499	1.1
217.15877	1.9
223.16946	2.6
227.17874	1.2
229.19586	1.0
231.17453	1.9
235.16913	3.5
244.22774	3.5
249.18524	5.2
259.24295	2.3
263.12796	1.2
268.11115	1.9
269.22672	3.9
276.62518	1.3
277.25262	4.3
287.20593	1.9
287.23672	11.7
305.05429	1.5
305.13943	2.3
305.17532	2.1
305.21503	3.4
305.24765	88.7
306.26505	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03955	3.6
55.01874	3.9
55.05510	35.2
57.07083	11.1
59.05015	2.2
65.03932	3.6
67.05166	3.0
67.05502	38.5
69.03429	4.4
69.07066	42.4
70.06555	1.7
71.04996	9.0
71.08614	1.9
71.30515	3.1
75.05944	1.5
79.05491	34.5
79.05952	2.4
81.07057	95.1
83.04979	8.4
83.08632	17.3
85.02923	2.0
85.06527	8.4
91.05479	24.2
93.07045	100.0
95.04966	17.3
95.08607	76.6
97.06517	12.2
97.10187	16.4
99.04450	1.8
99.08088	3.9
105.07031	46.7
107.08595	94.5
109.06494	13.8
109.10158	56.1
111.04494	3.4
111.08078	11.2
111.11734	4.3
113.06043	3.5
113.09682	1.9
117.07018	6.7
119.08585	50.3
121.06507	5.3
121.10145	73.6
123.04416	1.8
123.08069	11.9
123.11710	22.8
125.05966	4.0
125.09637	7.3
127.07541	1.7
128.06264	1.8
129.07021	5.8
131.08571	12.4
133.10130	35.4
135.08076	9.0
135.11690	50.8
137.05965	6.4
137.09599	10.0
137.13249	4.6
139.11177	6.5
141.09084	1.7
143.08597	8.3
145.10121	20.2
147.08041	2.5
147.11700	36.0
149.09673	9.9
149.13261	84.6
151.07600	1.8
151.11189	10.5
153.12732	2.1
155.08524	2.4
156.09291	1.8
157.10126	10.9
159.11702	22.2
161.09607	11.5
161.13222	16.2
163.07547	2.2
163.11201	10.5
163.14842	18.4
165.09122	2.6
165.12802	4.4
169.10123	3.9
171.11696	11.9
173.13248	9.9
175.07550	2.3
175.11185	7.3
175.14847	10.9
177.12747	11.4
177.16399	5.4
181.10249	2.2
183.11714	3.4
185.09702	2.0
185.13286	7.6
187.11180	2.0
187.14822	6.8
189.09105	8.8
189.12733	3.5
189.16385	8.1
191.14305	7.0
193.15944	3.4
195.13812	7.8
195.17387	2.3
199.11182	3.5
199.14868	8.8
201.12868	1.7
201.16350	3.0
203.10654	2.4
203.14351	4.7
203.17957	2.3
209.13472	1.8
209.15372	6.2
213.12769	3.8
213.16214	8.1
223.14905	2.3
223.16881	2.7
227.17972	7.0
229.15854	2.2
230.02780	1.9
231.13857	7.0
231.17485	3.1
231.20988	2.1
241.15941	6.5
241.19379	7.9
243.21138	2.5
245.15457	2.3
245.18921	2.8
249.18497	2.6
250.13541	1.8
251.17972	2.0
259.16959	13.4
259.20526	9.0
259.24335	1.8
269.18982	5.7
269.22589	6.7
277.25244	3.4
287.16458	5.5
287.20059	38.5
287.23663	11.6
291.09399	1.8
305.17484	22.2
305.21115	36.9
305.24774	54.5
305.28455	2.9
311.81442	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2479
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
52.83340	1.4
53.03945	4.5
55.01859	2.2
55.05269	1.9
55.05518	30.8
57.03437	1.9
57.07085	6.0
59.04978	1.2
65.03930	1.3
66.04731	1.5
67.05177	1.9
67.05515	30.0
67.05866	1.6
69.03428	5.5
69.07074	38.7
69.61304	1.1
70.25094	1.2
71.04994	5.0
71.08637	1.7
71.54856	1.2
71.55291	1.4
73.06580	1.3
77.03900	1.5
79.05503	33.3
81.07065	88.4
83.04986	8.5
83.08635	15.5
85.06531	6.4
88.03997	4.0
88.07607	1.4
91.05493	28.1
93.07055	85.5
95.04977	11.5
95.08617	70.4
95.09248	2.3
97.06559	8.9
97.10177	19.1
99.04457	1.5
99.08080	3.0
100.70187	1.2
103.05435	1.9
103.95124	1.2
105.07043	38.9
105.07757	1.9
107.04959	2.3
107.08609	100.0
109.06538	8.3
109.10169	41.2
109.35277	1.4
111.08091	9.4
111.11745	3.7
113.09635	1.8
117.07044	3.9
119.07813	0.8
119.08591	33.4
121.06540	4.3
121.10159	60.3
123.08099	5.6
123.11723	19.7
125.06084	2.2
125.09636	7.9
126.04118	1.2
127.07616	1.5
127.11192	3.0
129.07014	4.2
131.08582	9.7
133.06444	1.3
133.10149	25.6
135.08067	6.4
135.11707	38.7
135.12720	2.5
137.06024	3.7
137.09650	5.5
137.13264	5.4
139.03925	2.3
139.11201	5.4
141.07021	2.5
142.07826	2.8
143.08580	5.3
145.06538	1.9
145.10135	14.8
147.08081	3.1
147.11708	28.6
149.09680	5.0
149.13275	86.3
151.07535	2.2
151.11209	8.8
151.14824	2.4
153.12729	2.7
155.08629	1.8
155.10661	2.3
156.09396	1.7
157.10181	8.3
159.08154	1.7
159.11694	12.4
161.09656	4.8
161.13284	13.4
163.07498	1.7
163.11211	4.3
163.14844	15.7
165.09279	1.6
165.12784	4.7
167.10709	7.1
169.10107	1.5
171.11746	6.1
173.09651	2.6
173.13322	5.3
175.07701	1.7
175.11258	3.8
175.14819	8.5
177.12787	5.3
177.16385	5.9
179.08487	1.6
179.14268	1.4
181.10196	2.2
183.11714	2.2
185.09621	2.7
185.13277	3.5
187.14883	4.9
189.09135	2.4
189.12820	3.5
189.16389	9.6
191.14377	3.6
191.17961	1.6
193.15924	1.6
195.17389	1.5
197.13339	1.7
199.11235	2.4
199.14986	2.9
201.09128	1.4
201.12820	2.2
201.16484	3.0
203.10757	2.8
203.14505	2.3
203.17966	2.3
205.15977	2.7
209.15431	3.3
213.16508	4.5
215.17876	1.5
217.12236	1.5
217.15913	3.2
223.14885	1.9
223.16914	2.5
227.10712	1.7
227.17915	1.8
235.14848	3.0
235.16972	1.8
241.15771	2.5
243.21292	1.6
249.18549	3.0
259.16986	7.6
259.20383	1.9
259.24240	2.2
269.19672	2.1
269.22720	6.5
277.25397	4.6
287.13626	1.6
287.16946	7.4
287.20139	5.9
287.23471	10.4
305.05334	1.8
305.14661	1.4
305.18140	8.6
305.21347	6.3
305.24835	55.7
305.27994	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	305.2112
Annotation	Homaxinolide A
Peak:m/z	Relative Intensity
50.31854	2.8
53.03936	4.8
55.01885	5.5
55.05518	31.4
57.07070	6.9
58.06605	9.1
59.04993	4.0
59.06934	3.5
65.27003	2.9
66.09209	2.6
66.09578	3.3
67.05503	45.7
69.03428	11.4
69.07069	44.8
71.04998	6.7
71.08644	2.8
71.57799	3.3
73.06558	5.1
73.38303	2.6
79.05490	28.5
81.07063	63.1
82.71629	2.6
83.04971	7.8
83.08630	24.4
85.06557	6.6
90.95901	3.1
91.05492	40.8
92.05832	7.4
93.07050	73.7
95.04983	33.3
95.08615	93.6
97.06523	10.2
97.10182	17.1
99.08100	3.1
105.07044	34.7
107.04986	6.4
107.08602	95.5
109.06532	14.0
109.10165	53.0
111.08045	3.3
111.11716	3.9
115.07609	2.8
117.07044	6.0
119.08591	36.6
121.06505	46.5
121.10152	57.5
122.19797	2.7
122.24471	3.0
123.08106	13.8
123.11705	27.0
125.09581	3.5
129.07036	7.3
131.08598	17.8
133.10126	30.4
135.08051	17.4
135.11694	49.2
137.06001	4.1
137.09660	4.8
137.13254	12.5
139.11153	4.6
143.08566	10.9
145.10121	20.0
147.08067	9.3
147.11687	22.3
149.09637	10.4
149.13284	39.0
153.09012	3.3
155.08490	2.7
157.10130	7.7
157.12218	3.5
159.11702	19.8
161.09637	20.3
161.13275	17.8
163.11188	5.9
163.14880	31.1
165.12721	3.0
171.11696	12.0
173.09694	4.3
173.13271	19.7
175.11224	15.2
175.14825	13.8
177.12759	6.0
177.16412	8.4
179.14406	3.5
185.13246	7.9
187.11249	7.6
187.14833	7.5
189.12776	15.5
189.16408	9.5
191.14307	24.4
191.17932	3.3
191.77385	3.0
195.13789	7.7
199.11325	3.4
199.14883	5.4
201.12840	3.4
201.16399	4.6
203.14346	5.9
203.17921	3.6
207.13899	4.5
209.15385	8.8
210.65413	3.0
213.12840	5.3
217.15800	4.9
221.15399	6.6
223.16986	7.3
227.18013	9.3
235.16965	11.2
241.19501	7.4
245.18999	33.1
249.18463	16.1
259.17047	3.7
259.20636	14.6
259.23120	3.0
263.20132	12.7
269.19006	6.1
269.22662	4.8
273.18503	6.1
287.20087	35.3
287.23431	6.7
305.17828	7.8
305.21124	64.4
305.24741	100.0
305.30014	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	305.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89804	1.3
55.01858	1.7
56.96570	7.7
57.03435	3.4
57.44565	1.3
59.15078	1.2
61.02937	5.3
66.89462	1.1
67.05493	1.3
68.98298	1.3
69.03430	13.6
70.06580	4.2
70.80439	3.1
70.98123	1.3
71.04977	2.3
72.08160	1.3
73.02924	1.9
77.00898	1.4
81.03433	5.8
81.04532	4.8
84.08149	2.7
85.02431	2.1
85.02913	26.2
87.04462	1.5
90.32975	1.0
95.04987	1.6
95.06091	2.2
97.02903	42.1
98.97598	6.5
99.04478	2.0
101.00897	13.3
101.02354	1.1
103.02409	1.2
107.04961	1.3
109.02884	3.9
110.06000	1.4
111.04376	1.2
113.00874	4.4
115.02444	2.2
116.07137	1.3
116.98639	3.6
119.01939	19.5
123.04417	3.2
125.02364	100.0
125.07103	3.6
127.02467	1.6
127.03925	8.6
129.03992	1.5
129.10199	2.1
131.01923	8.8
131.05603	2.3
133.02650	1.7
133.03488	3.4
134.99670	1.4
135.05002	1.7
137.02965	2.6
139.03903	19.2
140.06961	1.2
142.07358	1.3
143.01915	14.3
143.03397	89.9
143.08173	16.7
145.03464	10.1
145.04961	4.9
145.32721	1.1
146.99693	1.6
147.01411	2.1
147.04315	1.5
149.02969	1.4
149.06590	3.0
151.03914	2.6
151.06023	1.0
155.01918	5.6
157.03474	10.7
158.99710	1.5
159.05016	3.1
161.02971	28.3
161.06612	12.6
163.04491	1.2
167.01973	1.9
167.03334	1.4
169.03448	2.1
171.05008	1.6
172.97633	1.9
173.02959	10.3
173.06572	3.8
175.04561	6.9
179.03467	3.4
179.07666	4.1
179.55302	2.6
183.04921	1.3
185.02985	16.2
185.06500	6.8
188.55914	1.6
188.97015	1.1
190.98538	1.7
191.03943	1.9
197.02908	5.5
197.06647	2.6
199.04388	1.6
199.08269	1.5
202.98778	1.3
203.04039	23.2
203.07635	11.9
205.00154	1.2
215.03870	2.6
215.05688	1.5
215.07663	15.3
217.09242	4.0
219.01762	1.7
221.05035	9.8
227.03925	2.6
227.07610	2.4
229.45973	1.2
232.99741	2.0
234.98943	1.9
239.07666	3.9
241.05045	1.6
244.10094	1.4
245.05122	9.4
245.08704	2.0
257.04871	1.9
257.08719	2.2
259.12692	3.2
261.03940	1.9
263.00500	1.6
263.06073	4.5
269.04553	1.8
275.06201	2.4
275.09619	3.3
281.01727	1.6
287.05704	4.9
288.05997	5.7
305.07074	14.3
305.11044	43.8
306.15366	1.4
323.11963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	16beta-hydroxytestosterone
Peak:m/z	Relative Intensity
55.05505	16.4
62.63331	3.2
65.03943	4.5
67.05508	29.4
69.03440	7.3
69.07071	25.2
71.14898	7.8
79.05499	15.1
81.07056	37.6
83.04998	4.9
83.08627	11.5
91.05508	13.3
91.36893	3.8
93.07038	32.9
93.18968	4.1
95.04970	35.0
95.08047	5.8
95.08612	59.4
97.06528	11.5
105.07037	34.7
107.08598	51.2
109.06516	13.7
109.10176	29.9
111.08115	4.5
117.06991	6.4
119.08607	27.5
121.06519	65.9
121.10147	36.8
123.08065	17.3
123.11716	15.9
131.08594	20.4
133.10130	23.4
135.08081	18.1
135.10799	3.5
135.11676	21.8
137.09671	5.6
137.13234	6.5
141.06972	4.4
143.08589	9.1
145.10109	19.0
147.08038	17.0
147.11691	17.7
149.09615	9.6
149.13271	19.4
152.49158	3.6
156.09387	4.3
157.10109	17.2
159.11681	18.3
161.09651	18.9
161.13272	11.1
163.11211	5.9
163.14822	29.4
171.11728	12.9
173.09674	5.1
173.13278	14.6
175.11208	16.2
175.14877	6.0
177.12714	5.3
177.16393	5.5
181.10117	5.3
183.11758	5.5
185.09634	4.1
185.13184	6.8
187.11160	5.8
187.14838	9.3
189.12752	14.7
189.16524	5.8
191.14334	30.6
199.14915	8.1
203.14490	7.0
205.15829	5.6
213.12679	6.9
217.12302	4.9
227.17963	12.3
231.13904	5.9
241.15768	4.3
241.19527	13.0
245.19022	37.6
249.18567	4.6
259.20544	17.5
269.19025	10.6
287.16898	6.7
287.20044	50.2
305.17554	9.1
305.21127	100.0
305.24716	16.8
305.31516	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	304.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	7.4
58.89539	5.1
70.06594	14.0
71.54057	8.9
86.06078	12.2
100.03996	8.2
102.05586	5.8
114.05541	37.9
119.01986	6.8
121.35867	5.7
141.10295	13.1
185.09238	100.0
214.06941	6.5
221.05072	12.6
223.07335	6.1
256.97543	8.6
286.13950	45.8
298.98727	13.6
304.15280	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42528	1.4
53.03941	2.5
55.01867	3.0
57.03434	4.7
60.04535	9.2
61.02937	2.7
61.19799	1.4
67.05512	1.6
69.03432	15.2
69.06721	3.1
69.07075	43.6
71.08640	25.1
71.33840	2.6
71.34164	1.8
73.02922	3.0
79.05502	2.1
81.03422	8.7
84.04504	5.3
85.02911	75.0
86.02438	7.5
92.27267	1.5
95.08592	1.6
96.08138	4.1
97.02895	50.7
97.06543	5.2
99.04511	2.3
103.03942	5.9
109.02885	13.2
110.02454	2.0
114.09180	23.5
118.96711	1.5
123.04414	3.3
127.03932	12.9
138.09154	5.3
142.08646	100.0
145.04944	8.3
151.03923	2.9
152.04335	2.7
156.10225	4.1
166.08527	1.9
180.10184	2.2
184.09706	88.7
197.33914	1.8
208.09669	16.1
220.09734	2.4
235.06343	1.5
238.10713	2.7
250.08560	1.8
250.10706	10.5
304.05341	4.0
304.08771	2.8
304.14395	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	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05503	1.4
56.05032	1.4
56.96572	2.2
57.03432	2.3
61.02918	2.8
63.84879	0.6
65.03951	0.9
67.05502	2.6
68.05009	0.9
69.03431	7.4
69.07060	2.0
70.06602	4.9
71.04992	1.3
71.42216	0.6
71.54431	1.3
73.02932	2.0
74.06096	1.3
79.05501	4.7
81.03407	3.8
81.05812	1.7
81.07066	5.7
82.06584	7.0
83.04972	1.0
84.04497	1.1
84.08131	1.9
85.02912	17.6
85.06548	0.9
85.07656	0.9
86.06077	2.7
86.09711	10.4
87.04471	1.9
91.03940	1.5
91.05495	2.0
94.02951	1.2
94.06575	1.6
95.05031	1.5
95.06086	0.7
96.04504	2.3
96.08133	9.6
97.02896	6.6
97.06547	1.0
98.06068	4.2
98.97588	5.0
99.04458	1.3
100.03991	1.0
100.07617	1.2
102.05565	1.2
106.06567	0.9
107.04947	1.2
109.02882	2.1
109.04001	0.8
110.06052	4.3
110.97614	1.0
111.04465	1.5
112.03985	4.0
112.07629	3.5
114.05544	7.1
114.09174	9.4
116.98627	3.0
119.04955	1.5
121.06552	1.1
122.06077	1.2
123.04457	2.1
124.07603	100.0
127.03909	4.5
128.98607	1.9
129.06648	0.8
133.02873	0.7
134.99622	1.1
136.07617	0.8
137.06020	1.0
138.09140	0.7
139.03903	6.8
140.03430	5.1
140.07121	3.7
141.05447	1.2
141.10210	2.1
142.08644	55.5
143.11833	3.4
145.04999	2.7
151.03922	1.7
151.07553	2.2
157.13348	3.9
158.08092	1.3
158.97305	0.7
158.99680	1.2
160.09712	2.4
161.01224	1.1
162.05508	1.4
163.03891	0.9
164.07091	0.9
166.01418	2.9
166.03238	0.7
166.08607	0.8
171.11285	1.0
177.00768	2.2
178.08739	3.7
182.08159	0.7
184.02473	1.1
184.09744	0.7
185.09230	15.1
191.02039	0.7
214.05048	1.5
215.10367	0.7
219.01813	2.3
234.07576	0.7
234.99051	1.3
237.02864	2.4
239.52115	0.8
258.12451	4.9
260.14066	1.7
264.39679	0.6
268.11926	2.7
286.14233	7.5
287.05859	0.7
287.09164	1.6
295.07654	1.1
304.05206	1.3
304.08649	1.2
304.14069	4.8
305.09238	2.5
323.10165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01867	1.6
55.05513	7.5
57.03430	4.5
57.07072	2.9
61.27133	1.4
67.05508	11.9
68.99778	2.6
69.03436	14.5
69.07071	9.3
71.00531	3.0
71.00888	1.8
71.05002	7.4
71.05347	1.1
71.51723	1.1
79.05499	12.0
81.03416	1.7
81.06594	1.2
81.07062	21.9
83.04980	1.8
83.08612	3.0
85.06537	3.5
91.05482	13.3
93.07051	18.1
95.04962	6.9
95.08612	16.1
97.06534	5.4
97.10173	1.2
99.04485	1.6
99.08092	9.6
99.83097	1.2
103.05443	1.6
105.07035	31.2
107.08602	20.6
109.02871	1.6
109.06509	3.1
109.10162	14.7
111.00789	1.6
111.04427	2.9
111.08101	2.2
113.05978	1.4
113.09646	4.1
117.07027	6.6
119.04922	1.7
119.08590	38.6
121.02901	1.7
121.06512	7.8
121.10136	12.3
123.04443	8.1
123.08080	3.1
123.11716	7.7
125.09628	18.2
127.11195	10.4
128.06248	2.2
129.07018	4.2
130.07800	2.3
131.04964	1.2
131.08559	11.7
133.06502	1.8
133.10143	17.6
135.04407	1.7
135.08060	12.5
135.11674	6.2
137.02336	7.1
137.05994	2.8
137.09628	2.7
139.03906	2.8
139.07538	1.5
139.11220	2.4
141.07030	2.7
142.07790	4.3
143.08571	10.1
144.09366	1.7
145.06476	1.6
145.10126	32.7
146.10922	2.4
147.04405	2.7
147.08104	6.5
147.11697	10.4
149.09583	3.0
149.13252	3.0
151.03923	10.8
151.07562	2.2
151.11197	1.6
153.01831	10.4
153.05431	1.8
155.04898	1.8
155.08583	4.7
155.10687	5.6
156.09348	4.6
157.10152	14.5
158.10823	1.7
159.08052	6.1
159.11707	25.5
161.09645	7.9
161.13275	13.3
163.03944	3.5
163.11162	2.1
163.14832	3.8
165.01797	2.2
165.05551	2.4
165.07059	3.4
165.09138	1.3
165.12747	1.2
167.08667	1.3
169.10188	5.8
170.10938	2.2
171.08058	1.9
171.11687	12.6
172.08777	1.4
173.05942	1.5
173.09608	6.3
173.13281	13.0
174.14081	5.9
175.09952	1.3
175.11201	7.6
175.14850	10.9
177.12755	1.9
177.92595	1.2
183.02965	3.0
183.08075	4.4
183.11716	6.3
185.09599	2.3
185.13249	4.3
186.10558	1.4
186.14059	2.2
187.11185	6.6
187.14815	15.5
189.09120	2.8
189.12764	3.5
191.14404	1.8
193.15918	5.4
195.65948	1.4
196.12549	1.5
197.09601	2.0
197.13277	5.0
199.11211	5.7
199.14827	13.6
201.05478	5.0
201.12767	3.7
201.16406	1.9
203.10754	2.0
203.14267	1.8
204.15031	7.6
205.12221	2.4
205.15892	3.4
206.16698	3.4
209.13406	2.1
211.07576	2.3
211.11214	4.0
211.14812	6.4
213.12883	2.7
213.16483	1.6
215.14223	2.2
217.12323	2.7
217.15895	4.2
225.12730	2.4
225.16440	1.9
227.14299	4.0
227.18021	2.8
229.05019	10.6
229.12199	2.8
229.15802	2.5
229.19600	2.1
231.13855	2.5
239.14380	1.5
239.17963	4.9
243.10201	1.6
243.13837	1.7
243.17679	1.4
245.15393	2.5
247.06027	2.0
255.17426	3.6
257.04489	4.9
257.18979	6.9
259.20743	1.3
267.17554	5.9
267.21167	2.0
271.09644	3.0
273.18481	12.7
275.20114	2.2
285.15289	2.4
285.18527	21.7
285.22128	6.8
303.05032	100.0
303.08432	5.8
303.19586	21.7
303.23206	19.1
304.05435	3.0
321.04068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01867	1.6
55.05513	7.5
57.03430	4.5
57.07072	2.9
61.27133	1.4
67.05508	11.9
68.99778	2.6
69.03436	14.5
69.07071	9.3
71.00531	3.0
71.00888	1.8
71.05002	7.4
71.05347	1.1
71.51723	1.1
79.05499	12.0
81.03416	1.7
81.06594	1.2
81.07062	21.9
83.04980	1.8
83.08612	3.0
85.06537	3.5
91.05482	13.3
93.07051	18.1
95.04962	6.9
95.08612	16.1
97.06534	5.4
97.10173	1.2
99.04485	1.6
99.08092	9.6
99.83097	1.2
103.05443	1.6
105.07035	31.2
107.08602	20.6
109.02871	1.6
109.06509	3.1
109.10162	14.7
111.00789	1.6
111.04427	2.9
111.08101	2.2
113.05978	1.4
113.09646	4.1
117.07027	6.6
119.04922	1.7
119.08590	38.6
121.02901	1.7
121.06512	7.8
121.10136	12.3
123.04443	8.1
123.08080	3.1
123.11716	7.7
125.09628	18.2
127.11195	10.4
128.06248	2.2
129.07018	4.2
130.07800	2.3
131.04964	1.2
131.08559	11.7
133.06502	1.8
133.10143	17.6
135.04407	1.7
135.08060	12.5
135.11674	6.2
137.02336	7.1
137.05994	2.8
137.09628	2.7
139.03906	2.8
139.07538	1.5
139.11220	2.4
141.07030	2.7
142.07790	4.3
143.08571	10.1
144.09366	1.7
145.06476	1.6
145.10126	32.7
146.10922	2.4
147.04405	2.7
147.08104	6.5
147.11697	10.4
149.09583	3.0
149.13252	3.0
151.03923	10.8
151.07562	2.2
151.11197	1.6
153.01831	10.4
153.05431	1.8
155.04898	1.8
155.08583	4.7
155.10687	5.6
156.09348	4.6
157.10152	14.5
158.10823	1.7
159.08052	6.1
159.11707	25.5
161.09645	7.9
161.13275	13.3
163.03944	3.5
163.11162	2.1
163.14832	3.8
165.01797	2.2
165.05551	2.4
165.07059	3.4
165.09138	1.3
165.12747	1.2
167.08667	1.3
169.10188	5.8
170.10938	2.2
171.08058	1.9
171.11687	12.6
172.08777	1.4
173.05942	1.5
173.09608	6.3
173.13281	13.0
174.14081	5.9
175.09952	1.3
175.11201	7.6
175.14850	10.9
177.12755	1.9
177.92595	1.2
183.02965	3.0
183.08075	4.4
183.11716	6.3
185.09599	2.3
185.13249	4.3
186.10558	1.4
186.14059	2.2
187.11185	6.6
187.14815	15.5
189.09120	2.8
189.12764	3.5
191.14404	1.8
193.15918	5.4
195.65948	1.4
196.12549	1.5
197.09601	2.0
197.13277	5.0
199.11211	5.7
199.14827	13.6
201.05478	5.0
201.12767	3.7
201.16406	1.9
203.10754	2.0
203.14267	1.8
204.15031	7.6
205.12221	2.4
205.15892	3.4
206.16698	3.4
209.13406	2.1
211.07576	2.3
211.11214	4.0
211.14812	6.4
213.12883	2.7
213.16483	1.6
215.14223	2.2
217.12323	2.7
217.15895	4.2
225.12730	2.4
225.16440	1.9
227.14299	4.0
227.18021	2.8
229.05019	10.6
229.12199	2.8
229.15802	2.5
229.19600	2.1
231.13855	2.5
239.14380	1.5
239.17963	4.9
243.10201	1.6
243.13837	1.7
243.17679	1.4
245.15393	2.5
247.06027	2.0
255.17426	3.6
257.04489	4.9
257.18979	6.9
259.20743	1.3
267.17554	5.9
267.21167	2.0
271.09644	3.0
273.18481	12.7
275.20114	2.2
285.15289	2.4
285.18527	21.7
285.22128	6.8
303.05032	100.0
303.08432	5.8
303.19586	21.7
303.23206	19.1
304.05435	3.0
321.04068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1957
Annotation	CHEBI:70566
Peak:m/z	Relative Intensity
55.05521	12.3
55.05729	2.6
57.07075	3.3
67.05505	24.2
69.07082	17.8
71.04996	4.3
71.56339	3.9
79.05496	26.0
81.07062	85.7
83.04979	3.2
83.08609	8.7
85.06538	4.2
91.05484	21.9
93.07042	44.9
95.04958	5.8
95.08611	65.8
97.06532	6.2
97.10194	5.5
97.96236	2.5
99.08101	3.1
105.07043	57.1
107.08595	63.2
109.06515	5.2
109.10161	36.8
111.11750	3.5
111.62846	2.3
117.07021	10.8
118.16214	2.6
119.08588	47.3
121.06462	4.4
121.10156	49.2
123.04479	3.5
123.11752	13.1
123.12482	2.5
129.07021	10.0
131.08569	25.2
133.10153	34.7
135.08066	4.8
135.11690	24.6
137.02353	3.4
137.09612	9.6
137.13258	3.6
139.07510	3.0
141.05434	3.3
141.06961	3.4
143.08554	15.0
145.10118	33.2
147.08104	3.8
147.11691	28.3
147.20786	2.6
149.09586	7.9
149.13248	14.1
151.11195	3.1
153.01819	3.2
155.08572	8.3
155.10693	3.4
157.10109	20.7
159.11702	51.5
161.09668	3.4
161.13277	44.7
163.11220	5.8
163.14836	73.8
165.09100	2.6
169.10172	10.8
171.11700	9.7
173.13272	20.1
175.11220	4.9
175.14792	8.2
177.12790	5.1
179.10715	4.7
183.11688	18.1
185.13271	9.6
187.11201	3.0
187.14842	18.2
188.00543	2.6
189.12682	3.6
189.16386	4.9
193.12206	4.5
197.13316	13.7
199.14859	14.0
201.05571	3.6
201.12793	5.0
201.16377	8.3
203.17993	9.0
205.12268	4.4
207.13899	5.3
211.14839	6.8
213.16412	6.4
215.10794	5.2
215.17963	7.5
219.13780	6.4
221.15395	3.1
225.16457	3.3
229.04997	6.6
229.12215	5.7
229.15938	4.3
229.19427	3.3
233.15395	4.2
239.17966	46.2
241.19508	7.8
243.13782	3.6
243.17497	3.5
243.21152	8.2
245.15323	3.5
247.16939	4.4
257.19061	32.5
257.22470	15.2
260.74823	3.1
267.17392	5.0
267.21066	2.6
275.20151	17.4
275.22894	2.7
285.15225	2.3
285.18481	61.2
285.22058	16.5
296.05783	3.0
303.05014	57.4
303.19534	100.0
303.23190	65.6
303.30563	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.3
55.70789	0.2
62.66620	0.3
65.03938	0.9
65.54735	0.3
67.05495	0.6
68.99788	0.6
69.03442	0.3
69.07074	1.3
69.52827	2.1
70.98151	0.3
79.05512	1.7
81.03419	0.5
81.07053	0.9
82.06584	0.7
85.02924	0.3
86.09720	0.5
87.10002	0.3
89.03902	0.6
91.05481	0.9
92.04993	1.2
93.07062	0.3
94.06580	2.1
95.04967	0.9
95.08624	0.4
96.04466	0.4
96.08130	0.6
97.05283	0.3
97.06540	0.3
98.06045	0.4
105.03333	0.3
106.06555	1.5
107.04967	1.2
107.07336	0.5
107.08538	0.3
109.06535	0.4
110.06049	6.7
112.07610	0.7
115.05516	0.3
116.04981	1.0
117.05806	0.3
118.06589	0.4
119.04997	0.6
120.04485	12.8
121.02857	0.3
122.06045	3.4
123.04451	2.1
124.07598	3.6
127.03911	0.4
130.45747	0.2
131.08534	0.3
133.10126	0.4
134.06018	3.9
135.04393	0.5
137.02359	0.6
137.05989	0.6
138.05527	0.5
139.03897	1.1
139.41507	0.3
140.07076	7.2
140.08095	0.6
141.06790	0.3
141.07877	5.4
142.08649	16.5
144.04459	0.9
146.06006	0.3
147.04408	1.2
149.05954	0.2
149.58519	0.3
151.03902	3.0
151.07558	0.4
153.01822	0.5
154.08670	1.8
157.10228	0.3
161.05888	0.3
162.05516	100.0
163.03925	0.5
163.06125	1.1
164.07079	1.2
165.01904	0.3
165.05524	0.5
165.06970	0.3
169.06584	0.4
178.08598	0.4
179.08894	0.5
181.05017	0.3
183.02977	0.5
183.08130	0.4
189.13084	0.3
193.05023	0.4
198.09158	0.4
201.05521	0.3
211.07506	0.5
215.03314	0.4
216.10191	1.7
217.13460	0.6
229.04997	0.5
230.08159	0.6
240.10191	0.4
243.11409	1.4
244.09697	1.1
258.11221	2.6
261.12378	6.3
267.11127	0.3
268.09534	0.4
279.13330	2.4
285.12451	1.8
286.10764	2.8
303.05002	5.9
303.08646	1.6
303.13242	10.2
303.19199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01873	1.1
55.05508	0.6
57.03434	0.2
65.03936	0.8
67.01864	0.3
67.05499	1.1
68.99797	2.0
69.03419	0.7
69.07063	0.7
71.01308	0.6
71.05000	0.4
79.05488	0.7
81.03420	0.8
81.07056	1.3
85.06541	0.3
85.66573	0.2
91.05490	1.5
93.03404	0.7
93.07037	1.1
95.04971	1.6
95.08626	1.3
97.02864	0.3
97.06517	0.3
103.05450	0.4
105.03368	0.4
105.07034	2.1
107.05012	0.4
107.08596	1.0
109.02898	1.3
109.06517	0.3
109.10170	0.8
111.00793	1.7
111.04429	0.6
115.05458	0.5
117.07013	0.7
119.04945	0.7
119.08611	1.4
121.02886	2.0
121.06537	0.7
121.10160	0.7
123.04437	3.7
123.08125	0.3
123.11732	0.4
125.09620	0.6
127.03924	0.6
129.07039	0.3
131.04916	0.9
131.08594	0.6
133.02852	0.4
133.06517	0.3
133.10152	0.8
135.04420	0.7
135.08051	0.5
135.11682	0.7
137.02357	7.4
137.03401	0.4
137.06007	1.0
138.05519	0.3
138.09106	0.3
139.03915	1.0
141.07010	0.4
142.07828	0.3
143.08549	0.3
145.02875	0.4
145.06482	1.2
145.10133	1.0
147.04414	1.8
147.08070	0.4
147.11673	1.0
149.02353	0.9
149.05937	0.3
151.03917	4.5
151.07542	0.8
153.01840	10.4
153.05461	0.5
153.06979	0.4
155.04930	1.2
155.08612	0.6
157.06531	0.4
157.10178	0.5
159.04436	0.3
159.11729	0.7
161.06038	1.4
161.09666	0.4
161.13309	0.4
163.03917	1.7
163.07578	0.3
165.01845	4.1
165.05499	0.7
165.07011	1.0
166.02654	0.4
166.05003	0.7
168.05670	0.4
169.10132	0.3
171.04431	0.3
171.11674	0.2
173.02377	0.2
173.06001	2.0
175.07607	0.3
175.11375	0.3
177.05472	0.4
179.03345	0.4
179.06984	0.3
181.04962	0.5
183.02907	1.5
183.04448	1.0
183.08028	1.4
185.05833	0.3
185.09641	1.7
187.03879	1.1
191.03439	0.4
191.07008	0.3
193.04996	0.4
195.02986	0.4
196.05309	0.3
197.09607	0.3
199.14827	0.4
200.08313	0.3
201.05482	5.1
205.04997	0.5
207.06439	0.3
211.04041	0.4
211.07440	1.1
213.05527	0.6
213.09007	0.3
217.04845	0.3
219.02939	0.4
219.06583	0.4
228.04240	0.7
229.04982	9.8
239.03302	0.4
239.07175	0.4
239.10753	0.3
243.10159	1.3
247.06020	1.2
257.04480	5.1
271.09772	0.6
274.04761	1.8
275.05435	0.4
285.04004	2.1
285.07239	0.4
285.12280	0.7
285.15268	0.3
285.22192	0.4
303.05023	100.0
303.23053	2.6
304.05359	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
65.03940	0.4
67.01856	0.5
67.05506	0.3
68.99794	2.3
69.03442	0.2
70.89471	0.4
81.03404	0.5
93.03413	0.6
93.95105	0.2
95.04967	0.8
105.03423	0.2
107.04945	0.2
109.02896	1.6
111.00807	1.9
115.05475	0.2
117.07009	0.4
121.02874	2.4
123.04429	0.7
127.03901	0.4
131.04929	0.6
135.04405	0.5
135.11829	0.2
137.02353	8.2
137.03400	0.6
143.04936	0.3
145.06488	0.7
149.02348	0.9
153.01830	11.1
155.04938	1.0
155.06065	0.3
159.04399	0.2
161.05983	0.7
163.03923	1.4
165.01845	3.9
166.02620	0.7
173.06003	1.5
177.02013	0.2
179.03412	0.4
183.02907	1.5
183.04482	0.9
187.03889	1.0
191.03400	0.5
195.02927	0.4
201.05461	4.3
201.07166	0.3
205.04987	0.5
207.03003	0.3
211.03891	0.4
213.05406	0.3
215.03456	0.2
219.02824	0.2
219.06499	0.4
228.04210	0.6
229.04967	9.8
239.03442	0.6
245.04611	0.2
246.05156	0.2
247.06003	1.3
257.04468	5.0
274.04709	1.3
275.05508	0.4
285.03937	2.6
303.05002	100.0
304.05347	1.8
306.50616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01867	0.3
59.12795	0.2
65.03938	0.5
67.01859	0.3
68.99796	2.3
69.03427	0.3
70.45240	0.2
71.01344	0.2
81.03413	0.8
92.60915	0.2
93.03406	0.7
95.04964	0.8
105.03407	0.3
107.04971	0.3
109.02914	1.7
111.00817	2.0
115.05449	0.3
117.06992	0.6
121.02888	2.4
123.04434	0.9
127.03899	0.4
131.04935	0.4
135.04424	0.5
137.02357	8.1
137.03395	0.6
143.04927	0.3
145.02873	0.3
145.06493	0.7
148.13432	0.3
149.02353	1.2
153.01848	10.7
154.02211	0.2
155.04929	1.3
159.04462	0.2
161.06012	0.4
163.03914	1.2
165.01852	4.1
166.02641	0.5
173.05983	1.3
177.01810	0.2
177.05388	0.2
179.03438	0.5
183.02902	1.4
183.04475	1.1
187.03911	0.8
191.03456	0.5
195.02940	0.6
201.05484	4.4
205.04988	0.5
207.02881	0.4
211.03807	0.4
215.03337	0.4
219.03026	0.2
219.06590	0.5
228.04210	0.6
229.04984	11.3
239.03423	0.4
245.04425	0.3
247.06116	1.1
257.04480	5.4
274.04678	1.4
275.05615	0.3
285.03992	2.7
303.05017	100.0
304.05338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03913	0.2
55.01867	0.5
65.03939	0.6
65.54216	0.2
67.01851	0.4
67.05508	0.4
68.07726	0.3
68.99792	2.7
69.03416	0.5
70.11069	1.0
81.03416	0.6
93.03409	0.8
95.04951	0.9
107.04973	0.3
109.02872	1.3
111.00790	2.1
111.04408	0.3
117.07017	0.5
121.02882	2.3
123.04398	0.8
127.03918	0.6
131.04910	0.3
135.04384	0.7
137.02354	7.9
137.03394	0.5
145.06491	0.8
145.33101	0.2
149.02359	0.7
153.01833	10.5
155.04936	1.2
161.05945	0.6
163.03944	1.5
165.01852	3.8
166.02600	0.5
173.05969	1.7
177.01842	0.3
179.03477	0.4
183.02878	1.4
183.04414	1.2
187.03905	1.2
191.03374	0.6
195.02934	0.4
201.03748	0.5
201.05481	5.3
205.04939	0.5
207.02945	0.3
211.03886	0.3
213.05479	0.4
215.03127	0.2
219.02846	0.4
219.06555	0.3
228.04189	0.7
229.04970	10.3
247.05986	1.1
257.04474	5.1
274.04688	1.6
275.05576	0.3
285.03903	2.2
286.04816	0.4
303.05005	100.0
304.05276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01880	0.3
65.03931	0.7
67.01861	0.4
67.05499	0.4
68.99794	2.4
70.46250	0.7
76.75365	0.2
81.03441	0.5
93.03397	0.9
95.04953	1.0
106.47881	0.2
109.02875	1.0
111.00807	1.9
115.05511	0.2
117.07002	0.3
121.02865	2.1
123.04430	1.0
127.03922	0.5
131.04955	0.5
135.04472	0.4
137.02357	7.5
137.03401	0.5
145.06511	0.7
149.02348	0.6
153.01840	9.7
155.04892	1.0
161.06091	0.5
163.03934	1.6
165.01825	3.8
166.02664	0.5
173.05968	1.6
179.03455	0.7
183.02887	1.6
183.04433	1.0
187.03937	1.4
191.03442	0.3
195.02953	0.5
201.05498	5.0
205.04950	0.7
211.03854	0.4
219.02885	0.4
219.06543	0.5
228.04176	0.6
229.04974	9.9
239.03539	0.4
245.04514	0.3
247.05984	1.1
257.04474	4.6
274.04770	1.7
275.05505	0.4
285.03912	2.3
294.77536	0.2
303.05002	100.0
304.05313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.7
58.68473	0.5
62.44536	0.4
70.97678	0.5
70.98013	0.8
98.97577	1.5
101.00906	2.2
109.62158	0.4
116.98628	1.5
119.01925	6.6
134.99675	0.9
137.02945	1.5
158.99889	0.8
165.99461	0.5
173.94080	0.4
175.03107	0.5
177.00970	12.3
178.01079	1.6
182.99783	0.6
192.92549	0.4
201.00903	1.1
217.02301	0.4
217.04088	2.7
218.03963	0.7
219.02023	21.3
220.02188	2.3
221.01826	1.8
225.00874	2.8
243.01993	8.1
243.04260	0.6
244.02094	0.8
261.03076	100.0
262.03217	10.1
263.02942	1.2
275.04593	1.3
279.00717	1.6
279.98416	0.6
282.99887	0.5
284.04709	2.1
284.99728	2.1
285.04800	0.7
297.97888	0.5
301.01111	1.3
303.01050	3.6
303.05243	3.3
320.98019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
55.01866	0.3
65.03944	0.7
67.01846	0.4
67.05482	0.3
68.99791	2.1
69.03430	0.2
71.39932	0.2
79.05486	0.1
81.03410	0.8
91.05461	0.1
93.03407	0.7
95.04977	0.8
103.59784	0.1
105.03400	0.2
107.04951	0.3
109.02892	1.1
110.03656	0.2
110.87033	0.1
111.00809	1.7
111.04424	0.2
114.13337	0.1
115.05459	0.3
117.07044	0.4
121.02882	2.2
121.06490	0.1
123.04462	0.7
126.03176	0.2
127.03903	0.4
127.05434	0.1
131.04912	0.6
133.02873	0.3
133.06497	0.1
135.04398	0.6
137.02354	7.3
137.03409	0.6
139.05414	0.1
141.19739	0.1
145.02821	0.2
145.06464	0.8
147.04430	0.1
149.02338	1.0
151.03908	0.4
153.01834	10.9
154.02164	0.2
155.04900	1.1
155.06015	0.3
157.06549	0.2
159.04411	0.2
159.09660	0.1
161.05980	0.7
163.03938	1.3
165.01855	3.9
166.02623	0.5
173.02412	0.2
173.05994	1.4
177.05450	0.2
179.03403	0.4
183.02893	1.6
183.04446	1.0
183.07996	0.1
185.05865	0.1
187.03918	0.8
191.03416	0.4
191.07027	0.3
193.05043	0.1
195.02910	0.4
200.04639	0.1
201.05486	4.5
205.01482	0.1
205.04967	0.4
207.02876	0.2
211.03851	0.2
213.05508	0.2
215.03400	0.3
219.02864	0.4
219.06470	0.6
226.24261	0.1
228.04187	0.6
229.04974	9.5
230.05360	0.2
232.03804	0.1
233.04349	0.2
239.03403	0.4
243.02942	0.1
245.04565	0.2
246.05351	0.2
247.06015	1.5
256.03812	0.2
257.04456	5.4
258.05093	0.2
274.04742	1.5
275.05481	0.3
285.03973	2.5
286.04602	0.2
302.45499	0.1
303.05002	100.0
304.05313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
57.03452	3.4
58.09951	1.2
61.02922	1.8
65.03932	2.3
67.05510	34.5
69.03434	17.1
69.07074	9.3
69.18748	1.2
70.06593	6.0
71.21844	2.3
72.08157	3.0
73.02892	1.3
79.05491	1.8
81.03410	6.1
84.08157	2.4
85.02909	40.3
86.06100	1.4
86.09734	1.3
90.61129	1.2
95.04974	57.7
96.08073	1.4
97.02900	39.4
103.03950	4.1
107.04971	3.6
109.02874	9.3
112.06829	2.1
112.07612	37.0
113.06017	3.8
122.06048	3.2
123.04435	5.2
124.07623	3.0
127.03928	9.2
134.06044	2.6
135.04440	2.1
136.07608	1.7
139.03894	9.4
140.03426	4.5
140.04285	3.6
140.07074	100.0
145.04997	2.5
147.04410	1.5
151.03883	2.9
152.04245	2.6
152.07059	4.5
154.08658	7.4
158.06859	1.6
163.03899	1.2
164.04262	1.3
176.07089	5.0
177.07895	1.8
178.08684	6.0
182.05545	2.4
182.08141	64.5
206.08138	15.1
213.05241	1.4
218.08221	1.5
230.05489	1.4
236.06535	1.7
236.09213	2.8
246.08528	1.9
248.06532	2.8
248.09196	9.8
274.07904	2.8
284.06433	1.7
284.12878	8.0
287.05109	4.0
302.07535	9.8
302.10703	4.4
302.14014	2.2
303.05035	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04352	2.9
53.03950	4.7
55.01889	3.1
57.03436	8.0
61.02917	7.6
67.05495	7.1
69.03439	15.0
70.06620	3.6
70.69381	6.7
79.05493	7.1
81.03430	11.4
81.07050	7.6
82.86347	2.9
85.02914	93.8
95.04978	7.4
97.02895	47.0
100.87832	3.5
103.03950	4.1
107.04981	19.0
108.05313	6.4
108.08088	16.5
109.02874	11.1
109.06537	3.1
112.07620	4.3
120.78685	3.3
122.06039	10.5
125.05982	5.0
126.05534	7.7
127.03893	18.8
136.07564	20.9
140.07080	42.5
145.04985	14.0
150.09132	6.9
152.07039	19.8
154.08672	8.0
164.07123	24.3
178.08632	16.5
182.08147	100.0
196.22211	3.0
206.08130	43.1
248.09227	12.3
253.08658	4.9
285.11115	5.0
302.10898	5.2
302.13998	10.2
302.16830	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	302.1389
Annotation	(S)-6-O-Methylnorlaudanosoline
Peak:m/z	Relative Intensity
50.36288	0.5
53.03941	0.6
55.01885	0.5
65.03940	0.6
67.05500	1.1
69.03394	0.6
69.07052	0.5
70.06582	1.5
71.55454	0.7
72.29726	0.4
72.30130	0.5
79.20721	0.4
81.03415	0.7
85.02874	0.5
86.09711	20.5
91.05477	2.3
93.07075	0.6
95.05003	1.0
95.67392	0.4
97.02903	0.4
100.62702	0.5
101.39143	0.5
107.04957	1.4
109.02821	0.7
112.07605	1.1
115.05459	10.2
115.06253	0.5
117.07000	0.6
119.04954	1.2
121.02870	0.5
121.06509	0.6
123.04435	34.8
124.04732	0.7
127.62720	0.5
131.04958	1.2
132.10219	2.2
132.18556	0.6
134.05980	0.7
137.02350	2.2
137.05994	6.1
139.03880	0.7
140.07063	0.7
143.04933	11.2
143.11777	1.9
145.06479	0.8
146.05989	0.6
147.04430	1.5
148.07562	0.6
149.06021	0.7
151.03877	1.0
151.07530	1.7
152.04280	0.5
153.01823	1.6
159.07260	0.6
160.05186	0.9
161.05934	2.3
162.05507	1.9
162.06798	0.9
163.04024	0.5
163.06299	11.7
163.07608	1.0
165.01820	0.7
171.11333	2.2
175.07561	7.5
178.08644	100.0
179.08656	2.3
189.12350	2.1
190.17058	0.5
197.09622	0.6
197.24739	0.6
203.08125	0.7
207.08116	2.0
211.07469	0.5
225.09052	1.8
229.05006	1.1
235.07509	1.0
239.10480	0.5
241.05106	0.5
241.08464	0.6
253.08640	2.3
254.09674	0.5
255.11136	0.6
257.04376	0.7
263.10803	0.8
267.09836	1.5
270.08719	0.6
270.11758	1.5
271.12305	1.0
285.11194	7.9
287.05066	0.9
293.12000	1.7
302.07053	1.9
302.13892	30.1
303.05032	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01866	2.2
57.03423	1.8
59.48748	1.2
61.02922	3.5
65.03942	2.3
67.05508	38.1
69.00785	1.0
69.03434	16.4
69.07073	8.3
70.06588	3.5
70.74197	3.5
71.01383	1.7
71.04990	1.8
73.02904	1.7
75.68951	1.4
81.03412	5.9
85.02910	46.8
86.09699	1.3
91.03990	1.1
94.58630	1.2
95.04975	56.0
97.02896	35.0
99.04448	2.1
103.03929	4.4
107.05011	1.9
109.02879	8.5
112.07612	38.7
113.05991	4.2
114.69250	1.3
118.95923	1.3
122.06010	1.6
123.04447	4.0
124.07620	3.0
127.03935	8.1
134.06010	1.4
135.04469	2.0
136.07578	2.9
139.03909	4.6
140.04263	2.7
140.07069	100.0
145.04956	2.7
147.04395	1.3
151.03922	4.3
152.04311	2.6
152.07065	1.8
154.08636	7.8
164.04344	1.7
178.08734	4.8
181.04979	2.0
182.05373	3.9
182.08138	72.9
203.03369	1.3
206.05247	2.4
206.08139	13.9
218.08174	2.9
228.10448	1.3
236.06607	1.2
236.09216	1.6
248.06708	2.1
248.09200	8.7
284.12790	1.3
287.04956	1.7
296.17117	1.5
302.07251	2.8
302.12509	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05598	1.3
55.01874	1.6
57.03435	3.1
61.02912	2.0
65.03958	3.0
67.05184	2.3
67.05515	35.3
69.03145	1.6
69.03440	18.4
69.07056	6.1
70.06605	8.7
70.81595	3.9
73.27785	1.5
75.68807	1.5
81.03407	5.5
84.08157	2.2
85.02436	2.1
85.02916	42.5
86.02438	1.6
86.09718	3.2
91.05479	1.7
94.06579	2.4
95.04980	52.3
97.02901	40.6
99.04462	1.4
103.03959	3.7
105.03436	1.4
107.04964	5.4
109.02892	9.6
110.06042	1.4
112.07621	35.4
113.06027	3.5
118.06532	6.6
122.06076	2.1
123.04463	13.5
124.07595	4.2
127.03938	8.6
136.04710	1.6
136.07582	3.3
137.06009	7.2
139.03944	7.8
139.04883	1.3
140.04233	3.7
140.07085	100.0
143.04942	1.7
145.04962	3.2
146.05998	9.6
147.04417	2.7
151.03929	9.8
151.07552	2.0
152.04233	1.5
152.07072	3.0
154.08620	8.8
161.06021	1.8
163.03952	2.2
164.07137	3.3
166.08646	1.9
178.08661	13.1
181.04932	1.3
182.08156	69.2
206.08167	14.7
218.08167	2.9
225.09158	2.3
236.09067	1.6
248.09204	8.8
253.08553	2.1
269.10629	1.8
284.12943	10.6
285.10971	4.3
287.05032	1.6
301.89139	1.4
302.07486	9.3
302.13983	10.5
303.08643	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0874
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
50.07554	0.2
52.31042	0.2
53.03933	0.4
55.01869	0.5
56.05023	0.2
56.96561	0.5
57.03428	0.8
61.02936	1.8
63.66237	0.2
69.03430	3.1
69.07063	0.5
70.06605	0.3
71.03466	0.4
71.03824	0.3
71.04996	0.4
72.08159	0.5
73.02914	0.8
78.03451	0.8
81.03426	1.5
84.08141	0.3
85.02908	7.3
85.35730	0.2
87.04460	0.4
91.03954	0.3
94.02942	0.3
95.05019	0.2
96.04495	0.2
97.02899	3.4
97.06548	0.3
98.97591	0.6
99.04436	0.4
108.08100	0.4
109.02890	0.9
114.78044	0.2
122.02393	3.2
122.06042	1.0
124.07554	0.2
127.03916	1.5
134.06033	0.7
136.07591	0.2
139.02190	0.3
140.03433	100.0
140.07007	1.9
141.03784	0.6
145.04962	1.1
152.07086	1.4
164.07085	0.4
173.03073	0.2
185.93211	0.2
273.08945	0.5
285.07718	0.7
287.04901	0.2
302.08707	1.8
302.12146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.4
53.01265	1.1
53.03944	1.2
55.01883	1.9
55.05515	2.9
57.03452	1.5
57.07074	1.5
65.03911	1.2
67.05513	5.9
69.03435	59.2
69.07076	6.3
70.07607	4.8
71.04998	37.3
79.05499	4.1
81.07057	6.4
83.04974	2.1
83.08636	1.5
84.28394	1.0
91.05483	12.7
92.64861	1.1
93.07055	5.4
95.04992	2.3
95.08648	5.4
97.06544	1.9
99.08115	2.7
101.52219	1.0
103.05476	1.1
105.07040	26.3
107.04961	3.1
107.08627	5.3
107.79661	1.4
109.06506	3.2
109.10181	7.4
115.05464	1.6
117.07019	4.1
119.04965	11.0
119.08591	37.6
121.06507	6.0
121.10130	2.6
123.08099	3.0
123.11718	1.2
127.11205	81.3
128.06232	3.0
129.07007	3.4
130.07759	2.3
131.08582	43.1
133.06522	1.3
133.10153	4.5
135.04370	1.2
135.08099	2.4
135.11693	2.3
137.05994	3.6
141.07002	2.3
142.07771	1.5
143.08563	8.1
145.10127	25.6
147.11646	2.6
149.06001	2.1
149.09654	1.7
151.11201	1.5
152.06230	6.0
153.07025	8.7
154.07693	1.1
155.08765	5.2
155.10684	41.7
156.09341	1.7
157.10146	7.6
158.07248	1.1
159.08109	1.3
159.11795	5.7
161.09669	1.5
163.11140	1.5
165.06955	7.3
167.08571	3.0
168.00562	3.3
168.05762	1.6
169.06519	3.2
169.10173	4.9
169.12262	3.0
170.07292	2.6
171.07991	1.4
171.11746	2.9
173.09607	2.9
173.13300	1.5
175.11221	2.6
177.05508	1.3
177.06894	1.3
180.05698	1.3
181.06541	11.3
182.07222	1.8
182.10930	1.8
182.60464	1.0
183.04420	1.7
183.08131	2.7
185.06058	1.3
185.09726	1.4
185.13246	2.7
186.01549	2.0
187.07495	1.7
187.11238	1.9
187.14825	3.8
191.07007	1.3
195.08096	2.5
195.11775	2.0
196.05244	1.2
197.06047	3.9
197.13278	35.3
198.06845	8.2
199.07491	1.3
199.14850	1.8
203.14322	1.9
208.05113	1.6
209.06050	2.1
210.06784	1.4
211.07617	2.7
213.09169	4.3
213.12749	1.8
215.07126	2.4
215.14337	100.0
216.14755	1.6
223.07637	1.9
225.05490	1.8
226.06198	7.5
227.07033	2.0
227.14517	1.4
241.08577	8.8
251.06888	2.4
255.20984	1.2
258.05258	2.4
258.08890	1.6
265.19461	5.3
269.08231	2.5
273.11157	2.0
283.20526	4.9
286.04761	15.8
301.03683	1.6
301.07098	26.5
301.10757	42.4
301.21606	22.5
302.10977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62304	1.0
53.03938	2.5
55.01862	1.7
55.05514	7.2
57.03421	2.1
57.07058	1.2
57.67765	0.9
65.03911	1.1
67.05513	15.3
69.07074	7.5
69.91783	4.9
70.50499	0.9
73.37646	0.9
73.49511	1.2
78.45737	0.9
79.05501	16.3
80.96749	0.9
81.07063	28.5
81.47585	1.0
83.05000	4.8
83.08601	3.0
85.02893	1.4
91.05478	14.9
93.07050	15.3
94.05579	1.1
95.04965	4.3
95.08054	1.5
95.08616	17.7
96.43107	1.1
97.06522	4.2
97.10181	2.3
99.08067	1.2
100.65494	1.0
103.05478	1.9
105.06396	2.0
105.07043	29.8
105.90913	1.1
107.04959	4.2
107.08601	15.4
109.06517	2.0
109.10165	11.0
111.04446	1.7
115.05440	2.1
117.07032	9.4
119.08591	100.0
121.06507	2.1
121.10144	7.2
123.08094	2.9
123.11702	3.0
125.05981	6.9
125.09626	2.4
128.06232	1.2
129.07045	5.1
130.07800	2.9
131.08583	21.2
133.10147	10.6
135.08051	6.0
135.11685	3.9
139.11154	1.1
141.07011	1.4
142.07808	4.8
143.08582	9.9
144.09314	3.3
145.09047	1.9
145.10144	27.5
147.08110	2.3
147.11696	4.2
149.09671	5.1
149.13263	2.0
151.03888	1.4
151.07526	1.4
155.08539	3.9
156.09372	1.4
157.10138	25.8
158.10886	1.8
159.08064	1.9
159.11703	69.8
161.09641	1.7
161.13284	21.1
163.11192	3.1
163.14841	2.3
165.08943	1.3
167.08586	2.0
168.00595	5.6
169.10123	5.8
171.08073	1.3
171.11757	7.0
173.09619	1.8
173.13252	4.9
175.11194	3.4
175.14812	2.3
177.09145	7.0
177.12785	1.5
177.16472	1.4
179.10678	1.8
181.10060	2.6
183.11755	3.1
185.09679	2.3
185.13243	7.3
186.01604	2.3
187.11163	2.8
187.14815	3.0
189.09029	1.1
189.12749	2.9
191.10802	1.8
194.10870	1.4
195.10150	5.0
195.11708	7.8
197.13254	5.6
199.11192	2.3
199.14862	3.2
201.16370	1.9
203.10637	1.4
203.14357	1.8
205.12268	3.0
207.13754	2.0
209.13243	3.5
211.14803	3.6
213.12762	2.4
213.16406	6.5
217.12166	1.1
222.14114	1.2
227.17830	1.7
231.13834	1.7
231.21007	1.1
237.16385	21.1
239.17935	2.0
241.12279	1.2
241.19501	2.9
255.17461	12.3
255.21069	11.0
257.19144	1.3
259.17953	1.2
259.20563	7.2
265.15909	2.4
273.18634	5.1
273.21887	5.7
283.16934	14.3
283.20575	4.6
286.04761	20.2
301.07108	21.8
301.17902	24.5
301.21606	37.7
301.25058	2.5
305.46561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1799
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
53.03949	1.9
53.57621	2.0
55.05508	6.7
64.30888	2.0
65.03931	2.9
66.27382	1.8
67.05505	11.0
69.03419	2.7
69.07069	11.6
70.01359	9.8
71.04971	2.3
79.05493	19.8
79.84919	2.3
81.03423	2.4
81.07060	58.2
83.04961	8.5
83.08583	2.5
91.05491	18.1
93.07037	22.4
95.04968	8.3
95.08604	27.2
97.06549	4.7
105.07029	74.5
107.04959	2.4
107.08587	21.1
109.06488	3.9
109.10175	13.2
111.08107	2.7
115.05432	3.0
117.07029	15.0
119.08579	78.0
121.06475	3.2
121.10145	9.0
123.08096	5.1
123.11692	3.6
125.05974	3.2
127.07550	2.0
128.06216	3.1
129.06987	9.9
130.07829	2.8
131.08586	35.5
133.10127	24.6
135.08023	7.4
135.11679	6.6
137.09558	2.0
139.07565	2.0
141.07007	2.9
142.07820	12.1
143.08588	16.3
144.09355	7.5
144.93484	2.2
145.06448	2.5
145.10123	39.6
147.08073	2.9
147.11694	7.5
149.09593	4.2
153.06953	2.6
155.08560	6.2
157.10126	45.6
159.08084	3.5
159.11691	100.0
160.12460	3.8
161.13246	40.6
163.11261	3.6
163.14769	2.7
167.08533	3.9
168.00543	7.3
169.10135	14.1
171.11725	10.7
173.09494	2.7
173.13255	7.7
175.11201	6.2
175.14827	5.8
177.09071	2.8
177.12753	3.0
178.14209	1.8
180.09279	2.6
181.10100	9.2
183.11694	5.3
185.09674	4.3
185.11769	1.7
185.13182	10.0
186.01561	4.0
186.13927	2.3
187.11197	5.3
187.14873	4.6
189.12740	6.5
189.16391	2.3
193.10297	2.1
193.12161	2.3
195.11652	13.0
197.13289	10.1
199.11218	2.8
199.14841	7.5
203.10785	5.0
203.14320	2.2
209.13252	8.0
211.11220	2.0
211.14796	6.2
213.12923	4.0
213.16399	11.5
217.12219	4.0
221.11714	6.0
222.14078	2.6
227.14261	2.6
227.17931	5.8
230.87483	2.3
231.13611	3.3
237.16403	41.9
239.17976	6.0
241.19519	6.2
248.01776	2.2
255.17459	26.7
255.20987	9.0
257.18869	2.1
259.20554	11.1
265.15906	3.4
265.19406	2.3
273.18521	9.7
273.21933	4.7
283.16922	29.2
283.20486	13.4
286.04672	25.4
301.07089	25.0
301.17950	41.6
301.21594	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	301.18
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
53.03938	1.9
55.01874	2.2
55.05497	3.9
57.07060	1.4
65.03930	1.6
67.05508	8.9
68.89157	1.2
69.07064	3.9
79.05495	13.0
81.07059	26.1
82.63382	1.4
83.04966	3.5
83.08617	1.9
91.05489	12.0
93.07047	14.5
95.04970	3.8
95.08604	9.4
97.06516	2.3
105.07035	42.8
107.08586	8.3
109.06535	1.8
109.10152	4.0
114.84822	1.2
115.05489	1.5
117.07029	11.9
119.08588	22.2
121.06467	1.9
121.10143	5.7
123.08050	2.3
123.11692	1.9
129.07016	8.2
130.07750	2.6
131.08586	22.0
133.10139	10.5
135.08110	3.0
135.11700	1.8
141.05434	1.3
141.06938	2.2
142.07727	6.7
143.08556	11.6
144.09344	5.4
145.10120	15.0
147.11700	2.2
155.08559	4.7
157.10130	25.0
158.10861	2.3
159.11702	100.0
160.12358	2.5
161.09636	1.9
161.13261	40.1
163.14847	2.3
167.08533	6.1
169.10193	7.4
171.11627	5.8
173.09650	3.0
173.13235	2.7
175.11165	3.2
181.10118	7.5
183.11705	3.7
185.09682	2.0
185.13266	6.0
187.11110	1.2
187.14743	1.3
189.09111	1.7
189.12703	3.3
191.10522	1.5
193.10179	1.7
195.11670	12.8
197.13292	8.1
199.11121	2.9
199.14819	2.5
203.10710	1.6
209.13229	5.0
211.14827	3.8
213.09100	2.4
213.12732	2.1
213.16362	8.7
227.14423	1.4
227.17978	2.6
237.16386	25.0
239.17908	2.4
241.12259	1.5
255.17455	17.4
255.21165	2.3
259.20676	5.8
265.15775	1.7
273.18448	9.2
273.21826	2.5
283.16928	17.2
283.19952	1.9
286.04678	7.3
301.07162	10.0
301.14606	1.9
301.17969	36.5
301.21594	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	301.18
Annotation	Angustanoic acid G
Peak:m/z	Relative Intensity
51.31845	1.0
53.04282	1.0
55.01873	1.5
55.05510	3.8
61.89624	1.1
65.03933	1.3
67.05519	6.5
69.07070	3.8
70.65893	2.8
70.66232	1.5
79.05495	13.0
80.89770	1.0
81.07064	26.3
91.05486	13.7
93.07054	10.7
94.56621	1.4
95.04979	4.2
95.08614	10.3
97.06537	3.1
98.21598	1.1
105.07040	46.2
107.04946	1.8
107.08610	7.6
109.06535	1.8
109.10166	3.3
117.07026	13.7
119.08597	20.3
121.06492	1.2
121.10129	4.1
128.88203	1.1
129.07059	7.1
130.07788	2.6
131.08592	20.9
133.10138	11.5
135.11674	2.2
141.07024	3.1
141.56137	1.6
142.07808	4.8
143.08578	9.8
144.09363	5.0
145.10121	14.6
147.08003	1.4
147.11690	2.3
155.08543	4.5
157.10144	23.9
158.10704	1.3
159.11705	100.0
160.12473	2.8
161.09668	2.6
161.13275	43.4
165.06952	1.4
166.07719	1.9
167.08626	2.7
168.00529	1.4
169.10150	8.1
171.11700	6.0
173.13278	1.9
175.11191	2.6
180.09387	1.4
181.10106	6.5
182.10976	1.8
183.11691	5.9
185.09673	2.8
185.13310	5.7
191.10594	1.4
195.11716	12.2
197.13295	7.1
199.14792	2.1
209.13290	5.6
211.14850	3.9
213.12793	2.0
213.16414	9.5
217.12257	1.3
227.17978	2.1
237.16389	27.3
239.17987	2.9
241.12270	2.1
255.17458	18.7
257.19153	1.7
259.20456	1.6
265.15918	2.4
273.18561	9.3
273.21082	1.8
283.16922	15.7
286.04758	4.8
301.07007	5.2
301.18100	31.8
301.21500	3.2
311.54108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0918
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
53.03942	2.0
55.01878	8.6
57.03434	1.9
65.03939	2.9
67.05512	6.1
68.99798	5.0
69.03429	2.4
69.70813	5.2
69.71224	2.8
79.05496	4.9
81.03417	2.4
83.04983	3.3
85.02905	21.8
89.11940	1.5
91.05484	3.9
92.58890	1.2
93.03391	6.5
93.07057	1.2
95.04974	9.0
97.02895	9.3
99.04469	1.3
103.03942	2.0
103.05459	3.3
105.07006	2.0
107.04929	8.8
107.60158	1.2
109.02889	5.9
111.04453	9.2
112.07641	1.9
115.05417	2.0
117.07021	1.8
119.04946	1.4
121.02868	4.1
121.06507	3.9
123.04415	16.9
127.03934	3.5
131.04930	3.6
135.04414	39.2
137.02325	1.6
137.05983	1.7
139.03911	98.9
140.07056	3.8
145.06516	3.6
145.10162	1.5
147.04422	3.4
149.05988	11.6
151.03911	100.0
159.04411	5.7
161.05978	2.8
163.03915	32.4
165.05554	2.7
165.07018	1.4
168.00568	2.4
173.05948	2.3
175.03925	3.5
177.05481	24.5
179.03447	3.2
181.04973	64.6
181.06317	2.3
182.08180	4.2
189.05478	4.7
191.07028	4.7
193.04945	2.6
201.05461	9.7
205.04980	46.9
217.04984	8.0
219.06618	3.0
229.04984	5.8
235.06023	32.9
238.09351	1.1
247.06052	25.3
248.09224	1.5
255.06461	2.6
265.07129	8.3
266.08994	4.5
273.07474	2.9
283.05988	5.0
283.08527	2.4
283.10980	1.9
284.09805	3.2
286.04727	8.9
301.06693	20.0
301.12292	2.8
301.15762	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	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01897	0.2
66.99967	0.1
69.38274	1.0
73.39903	0.1
75.75534	0.1
81.07061	0.2
85.06503	0.1
91.05451	0.3
98.20687	0.2
105.07030	0.1
106.03034	0.1
107.04323	0.2
107.04953	0.8
108.05293	0.6
108.25438	0.1
109.25249	0.1
113.75182	0.1
119.04914	0.1
119.08571	0.2
121.06482	0.2
124.01650	0.1
130.70245	0.1
139.03949	0.2
145.06509	0.1
145.10143	0.2
146.06966	0.1
149.05968	0.3
151.03938	0.2
153.01834	1.7
153.07047	0.2
157.10191	0.2
159.11678	0.1
163.11134	0.1
165.07095	0.1
173.13327	0.2
181.06491	0.3
198.06645	0.2
213.05463	0.2
217.04974	0.2
226.06245	0.2
229.04979	2.7
230.05449	0.1
241.08467	0.2
257.04510	1.1
258.05258	45.1
259.05585	0.7
269.04407	0.1
284.13684	0.4
286.04733	56.2
287.05118	0.8
301.07080	100.0
302.07413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.43476	0.3
55.01830	0.5
55.05456	1.2
56.67899	0.3
65.86850	0.2
67.05500	1.8
67.06048	0.3
67.48477	0.3
69.03382	0.6
69.07060	1.7
70.57838	1.0
71.04938	0.9
79.05440	1.2
81.03373	0.3
81.07072	2.5
83.04945	0.7
83.08583	0.3
85.99442	0.3
91.05486	2.9
93.07044	1.5
95.04913	1.4
95.08073	0.2
95.08605	2.4
97.06483	0.7
97.78748	0.3
99.08052	0.8
105.07037	3.9
106.49662	0.3
107.04919	0.7
107.08595	2.2
109.06453	0.8
109.10164	1.7
111.04367	0.3
111.08057	0.5
111.11681	0.4
117.06956	0.8
119.04868	0.4
119.08587	5.5
121.06519	1.9
121.10065	1.4
123.08026	0.5
123.11643	0.4
127.11158	0.7
128.06207	0.5
129.06960	0.5
131.08545	1.9
133.10120	1.8
135.07980	1.2
135.11618	0.8
137.05954	0.9
137.09587	0.3
139.03844	0.5
141.06941	0.6
142.07733	0.8
143.08534	1.2
145.10141	2.0
147.08023	1.2
147.11603	0.9
149.05873	0.5
149.09596	1.0
149.13216	0.3
151.03897	0.3
151.07449	0.3
152.06187	1.0
153.01814	1.4
153.07013	2.4
154.07751	0.4
155.04913	0.4
155.08493	1.1
156.09285	0.4
157.06474	0.4
157.10138	1.7
158.07312	0.4
159.08096	1.4
159.11670	2.2
161.09627	5.5
161.13239	0.6
163.11218	0.4
163.14769	0.6
165.07005	1.8
166.07787	0.4
168.00572	0.7
168.05630	0.7
169.06458	1.2
169.10097	0.7
170.07297	0.5
171.07942	0.7
171.11656	1.1
173.09622	2.6
173.13171	1.0
175.11188	4.1
177.05450	0.5
181.06483	2.4
181.10138	0.4
182.07237	0.6
183.04358	0.3
183.08110	0.8
184.08890	0.4
185.09666	1.4
185.13243	0.8
186.01570	0.7
187.07567	0.5
187.11163	1.2
187.14755	0.5
189.12589	0.5
191.14293	0.4
194.07225	0.3
195.08066	1.1
195.11716	0.4
196.05237	0.5
197.05963	0.8
197.09470	0.4
197.13292	1.6
198.06726	1.6
199.11166	1.5
199.14842	0.5
201.12859	0.5
203.14371	3.6
205.12170	0.3
209.05888	0.6
210.06734	0.4
211.03911	0.4
211.07500	0.8
213.09137	1.1
213.12700	0.9
213.16228	0.3
215.07050	0.6
215.14357	4.0
223.07646	0.7
223.14882	0.4
225.05475	0.5
226.06268	1.8
227.06931	0.5
227.14230	0.6
227.17859	0.3
229.04945	2.2
239.14236	0.4
240.07851	0.3
241.08636	2.1
241.15866	0.6
243.06406	0.4
243.17546	0.4
251.06990	0.7
255.11153	0.3
255.17319	0.4
255.21057	0.5
257.04456	1.0
258.05255	43.0
259.05609	0.7
265.16040	0.3
269.08038	0.8
273.11383	0.3
273.22095	0.4
283.17023	0.9
283.20578	1.8
286.04733	53.0
287.05069	1.0
301.07111	100.0
301.10614	9.9
301.18033	2.0
301.21652	6.4
302.07452	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.8
55.05519	2.2
59.09251	1.4
67.05503	4.6
69.03421	2.6
69.07072	1.9
71.13212	4.2
79.05499	5.8
81.07053	4.3
83.04986	4.6
84.28999	1.5
86.09676	2.2
91.05479	14.2
93.07047	10.5
95.04985	4.6
95.08613	3.9
102.33250	1.6
103.05486	4.2
103.59070	1.7
105.07044	16.6
107.04967	100.0
107.08602	5.7
109.02897	4.2
109.06518	3.1
109.10097	1.5
113.06035	1.9
115.05450	7.2
117.07023	15.5
119.05040	1.5
119.08624	14.7
121.06532	7.4
121.10116	3.1
122.03588	1.6
123.04430	3.9
123.08105	2.0
128.06245	2.9
129.07022	7.0
131.04936	3.7
131.08571	18.9
133.06522	4.1
133.10138	11.3
135.08046	3.4
135.11739	2.8
137.05998	15.0
138.05452	3.4
138.06360	4.9
139.03806	1.6
141.06982	6.0
142.07755	4.9
143.04927	7.0
143.08571	12.9
144.05299	3.2
144.09233	2.4
145.06523	18.6
145.10129	15.2
147.08058	4.7
147.11707	9.9
149.06026	2.9
151.07532	12.0
152.76256	1.9
153.06976	2.1
154.07742	2.6
155.08618	8.8
157.10126	15.1
158.07257	5.2
159.04437	2.7
159.08110	4.0
159.11697	14.7
161.05865	3.1
161.09634	6.4
163.07545	4.6
165.07092	2.0
165.09114	9.7
167.08563	2.5
168.09370	11.2
169.10114	3.2
171.07938	1.9
172.08916	1.6
173.05986	2.8
173.09671	2.7
173.13281	10.7
174.06775	4.3
175.07555	6.4
175.11192	4.0
176.08003	4.1
177.09158	4.7
177.12758	2.3
181.10078	3.1
183.11725	36.6
187.07549	4.1
187.11174	12.9
189.09132	17.0
191.08618	2.6
192.10225	2.4
193.10201	3.7
194.07301	2.2
195.08023	5.5
196.08730	2.1
201.12767	30.6
205.06514	7.5
205.12254	14.3
207.10272	3.5
208.08472	3.0
209.09601	4.4
211.11234	14.0
217.12274	1.9
219.13887	8.9
222.06786	4.8
223.07544	15.3
229.12256	55.8
233.05972	3.5
237.09135	8.7
247.13315	43.2
251.07062	16.7
251.10713	1.9
252.11536	8.5
265.08606	14.8
265.14377	69.7
268.07352	9.6
268.10867	8.0
269.11719	4.4
282.17053	2.5
283.09659	27.5
283.13278	32.4
283.15570	13.8
284.09082	13.1
284.13724	1.9
285.07059	2.0
285.09949	9.8
300.06012	3.1
300.12445	40.2
300.15988	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1596
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
50.26303	0.3
53.03950	0.7
55.01838	0.4
70.24873	1.3
70.25219	0.5
79.05493	1.1
91.05498	1.7
93.07053	0.7
95.04958	0.8
103.05463	0.9
105.07059	0.8
107.04962	76.4
108.39442	0.5
114.86529	0.4
115.05444	4.4
117.07034	1.1
119.04949	1.5
121.06512	4.2
131.04898	2.8
133.06503	1.1
136.87056	0.4
137.05977	6.7
143.04924	8.9
144.05717	0.6
145.06494	5.9
147.08093	1.0
149.05933	0.7
151.07483	0.9
160.05173	2.7
162.06798	0.5
163.07578	1.7
165.07004	0.9
166.07758	1.0
175.07567	11.6
178.08704	0.8
179.08540	1.3
181.06490	0.8
181.10173	1.2
182.07300	1.1
183.08224	0.5
191.08600	2.4
192.10220	1.8
194.07285	2.6
195.08101	0.7
197.05952	0.5
197.09636	4.0
201.12727	0.5
207.08189	0.4
209.09628	8.7
211.11147	1.0
219.08118	1.3
223.07536	0.5
225.09093	1.7
237.09123	8.6
239.07074	0.8
239.10582	0.6
247.13208	0.4
254.09427	1.8
257.11795	2.7
265.08612	0.6
265.14349	0.6
268.13297	0.6
269.11743	21.4
271.13324	1.6
283.09607	0.5
294.19818	0.4
300.15961	100.0
301.16306	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1597
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
51.02403	0.3
51.15135	0.2
53.03939	0.6
65.03949	0.3
71.55519	0.3
79.05495	1.0
91.05479	2.1
93.07040	1.2
95.04980	1.0
103.05493	1.4
105.07004	0.5
107.04955	87.1
108.05286	0.4
109.06516	0.3
115.05460	9.3
115.06280	0.5
116.05757	0.3
116.21140	0.2
117.06995	1.4
119.04922	1.2
119.08598	0.3
121.02865	1.1
121.06506	14.0
122.03605	0.3
131.04936	1.8
132.08081	0.9
133.06502	0.7
137.05977	8.9
138.02629	0.3
138.05385	0.3
138.06378	0.5
143.04921	13.8
144.05658	0.5
145.06480	8.2
147.04475	0.3
147.08040	0.6
148.07553	0.3
149.05949	0.6
151.07544	1.4
153.06992	0.3
155.06021	0.6
158.07256	0.3
160.05188	1.0
160.07594	1.3
161.05960	0.3
162.06787	0.3
162.09164	0.4
163.07552	1.1
165.07005	0.9
166.07780	0.7
167.08536	0.3
174.06831	0.6
175.07555	6.4
176.08105	0.4
177.07806	1.2
177.09169	0.7
178.08733	1.2
179.08478	0.3
180.10194	1.9
181.06451	1.1
181.10153	0.9
182.07262	0.5
183.08044	0.4
185.14816	0.3
189.09091	0.9
190.07629	0.5
191.08495	1.8
192.10197	8.4
192.11948	0.5
194.07307	2.9
195.08075	0.7
196.08804	0.3
197.05954	0.3
197.09634	1.2
205.06519	0.8
206.11736	0.6
207.08011	0.3
208.08733	0.5
209.09605	7.1
210.06772	0.3
211.07541	0.6
211.11205	1.2
218.07440	0.3
219.08028	1.3
220.08855	0.3
222.06744	0.8
223.07539	1.6
225.05498	0.3
225.09119	0.8
229.12251	0.4
236.08131	0.4
237.06708	0.4
237.09100	8.0
238.09761	0.4
239.07111	1.3
239.10617	0.4
240.08052	0.5
247.13345	0.4
251.06989	1.3
251.10777	1.1
252.11397	0.5
253.08534	0.5
254.09344	1.2
257.11627	0.5
265.08521	1.4
265.14285	0.7
268.07275	0.6
268.10910	0.6
269.11731	16.0
271.13336	0.6
283.09641	2.4
283.13263	3.3
283.15765	0.4
284.09259	1.4
285.10010	0.7
287.02927	0.2
288.86926	0.2
300.15930	100.0
301.16238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.01868	2.6
55.05510	1.0
56.05042	0.8
56.96562	3.3
57.03438	3.1
59.05000	1.7
61.02930	5.1
65.03948	0.6
67.05510	0.9
69.03434	8.6
70.06596	3.8
71.01353	0.6
71.05010	2.1
71.95271	0.6
72.08156	1.0
73.02917	4.1
79.05495	1.3
81.03429	4.6
81.07066	1.0
82.06602	0.6
82.99867	0.7
83.04993	0.8
84.04553	0.7
84.08160	2.3
84.96029	0.5
85.02911	18.5
85.06554	0.9
86.09726	1.0
87.04476	2.3
91.03974	0.9
91.05486	8.3
92.05020	0.7
93.07061	8.7
94.06562	0.8
95.04977	2.3
95.06113	1.3
96.06843	0.9
97.02895	10.7
98.06065	1.0
98.97591	4.0
99.04449	1.4
101.00899	2.6
101.02364	1.2
101.06052	0.7
103.02422	1.1
103.05468	6.0
105.07044	1.9
107.04974	1.6
109.02899	2.0
109.06508	0.7
109.07639	0.8
110.06078	0.7
110.07180	0.8
110.97550	0.6
111.04485	0.8
112.07631	1.0
114.09178	0.9
115.02468	0.7
115.05492	1.6
116.07096	1.2
116.98620	2.1
117.07030	1.4
119.01946	6.9
119.04935	3.2
120.02046	1.0
120.08113	14.4
121.01658	0.8
121.06512	100.0
122.06011	0.6
122.06878	0.9
122.09663	2.2
123.04468	1.1
123.06805	0.9
124.07661	0.6
127.02449	0.8
127.03950	5.1
128.98581	0.9
130.06519	0.6
131.01932	2.5
131.04909	2.8
132.03448	0.6
133.01736	0.9
133.03484	2.1
133.04999	0.5
133.06496	2.7
134.99643	1.0
135.04427	1.1
135.08058	0.7
136.05203	1.1
136.06212	2.4
136.07327	0.6
137.02911	0.7
137.05992	16.2
138.05524	6.6
138.09146	37.4
139.03905	2.4
141.06969	0.7
143.01898	2.2
143.04912	0.9
144.02069	0.6
144.03391	0.7
145.03491	2.7
145.04951	2.4
145.06494	1.5
149.05963	1.3
151.03960	0.9
151.07558	7.6
153.05745	0.7
154.03825	0.9
155.01904	1.0
157.03529	1.1
157.06435	0.7
158.06609	0.6
158.99704	1.3
159.03125	0.6
160.05247	1.5
160.07585	1.1
161.02974	4.6
161.05962	1.9
162.06583	0.9
163.03923	0.7
163.06262	0.9
163.07547	5.5
164.07011	0.8
165.07246	0.5
165.07854	0.7
165.09088	5.0
166.08763	0.7
168.05217	1.5
169.03458	0.9
170.05144	1.4
173.02953	2.3
173.06572	0.7
174.04478	0.8
174.06131	0.9
175.00868	1.0
175.04440	0.7
175.07588	3.5
176.04739	0.6
176.06917	0.9
177.00786	1.2
177.05522	0.6
177.07806	1.2
178.06261	1.3
178.08597	2.5
178.10054	0.6
179.55325	0.6
180.05270	0.8
180.10117	0.6
181.03529	0.6
184.04897	0.8
185.02940	2.2
185.06567	0.7
187.07549	1.7
188.55785	0.8
189.02478	0.9
189.05721	0.6
189.09026	0.9
190.05957	0.9
191.07130	0.9
192.10226	4.5
193.08609	3.4
196.03920	0.7
198.02850	0.8
198.98563	0.9
201.06000	1.0
201.09207	0.8
203.03990	1.2
203.07327	0.7
210.11195	0.8
211.06224	0.8
214.05875	0.7
215.04022	0.7
217.02014	3.0
218.08777	0.7
219.01860	0.7
219.07610	0.8
221.05019	2.0
226.05838	0.7
232.06625	1.1
235.03043	1.4
237.02757	1.3
237.09142	1.0
240.03659	0.8
241.08739	0.9
245.05083	1.4
247.09705	1.0
256.06561	1.0
259.03094	0.9
264.12256	2.4
265.06879	1.0
268.16516	1.9
277.04028	2.1
279.83057	0.6
282.09729	1.6
282.13275	7.8
283.08047	6.3
286.07916	0.8
300.10480	7.5
300.14340	40.4
300.19324	1.1
305.10721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	Callosuminin
Peak:m/z	Relative Intensity
55.01869	0.7
65.03947	0.7
66.04722	0.4
67.05509	0.6
69.03428	0.5
69.33809	1.0
69.34235	1.5
72.49243	0.3
77.83700	0.2
79.05505	0.9
81.03408	0.3
81.07062	0.9
91.05493	2.3
94.04192	4.1
95.04969	0.7
95.08621	0.4
96.00359	0.3
99.04458	0.5
103.05471	0.6
105.07030	0.4
107.04951	2.4
109.06506	1.2
109.10188	0.4
115.05466	24.6
117.07031	1.2
117.22340	0.3
118.03262	0.3
119.08577	0.6
121.06458	0.3
122.03664	8.5
123.04454	0.3
125.05983	0.4
128.03313	0.4
128.06177	0.4
129.07013	0.4
131.04930	0.8
132.05734	0.6
137.05988	100.0
143.04932	59.7
144.05704	1.8
145.06412	0.6
147.08054	0.8
151.07552	0.7
160.05231	8.6
160.07500	0.8
161.06001	1.3
161.08011	0.8
162.08748	1.0
163.07567	0.6
165.07040	0.8
168.09384	0.3
175.07562	56.1
176.08206	0.6
177.07016	0.4
178.07765	3.3
179.08580	6.9
181.06543	1.5
182.07262	0.4
189.06996	1.3
189.08624	0.4
190.06084	0.3
190.07826	0.5
191.08601	0.3
192.10222	0.3
193.10550	0.5
194.07156	0.4
195.07901	0.4
196.08859	1.3
201.05450	0.3
205.06526	0.6
206.07166	0.9
207.06238	0.6
207.08070	9.9
208.08617	0.9
209.05994	0.6
211.07596	1.1
218.07300	0.4
223.07524	0.7
224.08292	3.5
225.09154	0.7
234.06747	0.8
235.07559	6.5
236.08200	0.6
237.09087	0.7
239.06952	0.7
239.10667	7.6
241.08533	0.8
251.06931	0.5
252.07671	1.7
253.08563	1.0
267.10175	10.2
268.10739	0.5
269.08197	1.6
269.11682	0.3
270.08768	0.8
270.12018	0.4
271.06152	0.4
271.09641	0.4
282.08279	1.1
283.08459	0.9
284.10211	1.1
298.10809	3.6
299.05984	1.8
299.12753	54.9
300.12894	0.7
300.15936	1.5
318.55179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0977
Annotation	1-Methylxanthosine
Peak:m/z	Relative Intensity
52.58725	0.5
55.05508	1.6
56.96564	1.1
58.99866	0.5
63.28230	0.4
67.61469	0.4
69.07069	1.8
69.91438	2.2
69.96168	1.7
70.95851	1.9
77.00896	0.5
83.04979	2.8
83.08610	0.6
85.01386	0.8
89.22628	0.4
98.21499	0.5
98.97603	3.4
99.04372	0.6
99.92766	0.4
101.00906	2.7
103.02454	3.7
108.42646	0.5
111.04439	1.6
113.06016	1.4
116.98611	2.6
119.01929	13.8
120.01974	0.6
121.03503	2.4
127.07575	1.2
129.05473	0.5
131.96078	0.6
133.03456	0.5
134.99648	1.5
137.02962	5.3
141.03954	1.1
143.05565	5.1
145.03468	6.2
147.05042	4.8
149.97211	1.1
155.05698	0.7
155.07039	14.8
157.07106	5.2
159.05037	1.8
160.00072	0.4
161.02888	0.5
161.06618	8.7
163.04535	6.7
165.06102	3.6
167.05554	0.7
169.03479	0.5
169.07121	3.1
171.05020	3.0
173.06572	1.3
174.97758	0.6
175.04639	0.5
175.08171	10.0
177.00934	2.8
178.01117	2.3
179.00771	0.6
183.05005	0.7
183.08603	1.3
185.06618	8.3
186.06010	0.6
187.04552	1.6
187.08170	11.7
189.06087	13.3
191.95020	0.9
192.98753	1.0
195.05040	1.5
201.06178	0.7
201.09787	2.4
203.02425	1.0
203.07668	3.4
205.05591	1.3
207.07135	1.8
209.96007	2.7
210.96002	0.9
211.04514	5.2
211.08157	1.6
213.06113	6.8
213.09665	4.4
219.01982	4.5
220.02223	2.3
221.01759	1.6
222.01955	0.8
229.05667	2.8
229.12985	0.7
231.07173	2.9
231.10808	2.0
232.96619	0.7
233.03706	0.5
233.96025	1.8
234.03885	0.5
237.06111	0.7
239.07610	1.1
244.02260	0.7
250.97710	1.3
251.97191	3.3
252.96948	0.7
255.07208	3.4
255.10732	5.4
256.97055	0.6
257.08719	4.8
257.16013	0.7
258.99762	1.5
261.03140	2.4
262.03201	8.7
263.03003	1.3
274.97540	2.6
275.04742	0.5
275.09891	0.9
275.97186	9.4
276.04480	2.6
276.96936	1.5
277.00876	1.8
289.04337	0.6
292.98730	0.8
293.98242	6.3
294.98132	0.8
298.98026	3.4
299.09763	100.0
300.10013	1.9
316.98825	6.2
317.07574	0.9
317.10873	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	298.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
58.50115	0.9
67.05499	1.1
69.03445	0.9
71.43589	1.0
79.05505	2.3
81.03423	1.2
81.07049	1.0
83.83033	0.9
88.00703	1.0
91.05486	4.5
93.06981	2.2
95.04971	1.4
103.05443	1.1
105.07038	6.0
107.04993	2.3
111.04425	1.1
114.95181	1.1
115.05476	4.1
117.07024	1.5
119.08578	2.3
121.06532	2.1
126.01064	4.4
128.06238	4.2
129.06995	6.3
131.08583	4.2
135.08080	1.4
137.02345	1.6
137.05969	10.8
139.51787	1.0
141.01906	1.1
141.07002	4.7
142.07773	3.0
143.04932	5.2
143.08569	21.7
145.06488	1.6
145.10170	4.9
146.06017	2.9
146.95363	1.1
147.08107	1.0
152.06293	1.2
153.07004	5.4
154.07791	4.6
155.08553	5.9
156.09361	7.2
157.10100	5.1
159.08028	1.8
160.07620	9.3
161.08377	19.9
161.09512	0.8
163.07579	1.8
165.01834	6.6
165.06981	8.0
165.09116	1.4
166.07753	6.6
167.08528	6.2
169.06512	1.4
169.10135	11.5
171.08054	2.8
171.11707	22.6
175.07574	5.8
176.07101	3.0
177.06651	5.0
178.07370	8.5
179.08542	9.0
180.08905	1.8
181.06512	1.2
181.10147	13.5
182.07265	2.7
182.10611	1.5
183.02887	1.9
183.08075	4.8
184.08777	2.5
185.09619	1.3
187.11276	1.5
189.07021	1.5
190.07300	2.4
190.08694	3.2
191.08406	1.8
192.08859	3.3
192.10307	18.2
193.06558	2.9
194.07310	5.3
195.07707	15.2
196.08727	1.9
197.06065	1.3
197.09596	9.9
198.06747	2.0
199.11206	19.3
203.10690	1.3
205.06445	9.3
206.06854	30.9
207.07973	5.1
208.08417	3.7
209.06229	1.2
209.09534	3.7
210.06747	2.8
210.10088	2.4
211.07556	3.4
212.07967	3.0
215.10803	5.7
217.12267	5.6
219.07759	1.7
220.08405	2.4
221.06029	5.8
222.06670	5.9
223.07172	24.0
224.08148	3.1
225.09082	3.9
226.06192	2.9
227.10713	17.0
233.05972	4.1
234.06363	28.4
235.07463	6.7
236.07846	1.8
237.09187	4.7
238.06317	2.3
238.09512	37.7
239.07089	3.1
239.10406	1.3
240.07419	6.5
240.09523	0.9
241.08539	4.3
245.11766	16.8
250.06030	1.7
250.09966	1.2
251.06750	11.4
252.07480	3.4
253.08606	14.9
253.12357	1.9
254.09561	5.7
254.11844	1.4
255.09546	6.1
263.06949	6.2
263.12811	9.9
265.08643	5.9
266.08960	100.0
267.09729	3.4
268.06876	4.4
269.08392	1.9
269.11737	5.1
270.11295	15.3
280.09714	1.9
281.08105	12.6
281.11197	1.3
282.11395	1.2
283.09140	8.8
283.12170	4.3
298.07217	9.3
298.11261	76.2
298.14481	55.6
299.05566	12.8
299.12640	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24566	1.0
53.03934	1.4
55.01867	1.8
55.05494	1.3
57.85495	0.8
58.06119	0.7
59.76955	0.8
65.03928	1.9
67.05496	3.1
69.03428	2.2
70.51031	1.5
71.01340	2.2
71.04981	1.6
78.61394	0.8
79.05511	7.9
81.03424	0.9
81.07070	10.5
83.04974	2.8
83.16096	0.7
91.05489	22.8
93.03385	2.6
93.07043	6.5
95.04976	9.6
95.08565	1.5
97.02879	6.3
97.06503	1.7
99.04451	1.0
100.53924	0.8
105.07032	10.8
107.04960	2.6
107.08608	13.8
109.06525	14.9
111.04454	7.9
115.05453	3.3
116.06247	0.9
117.07030	12.9
119.04954	3.4
119.08586	11.8
121.06512	6.7
121.10157	0.9
123.08023	0.9
128.06221	2.7
128.78783	0.9
129.07030	6.3
131.08582	10.6
133.06474	2.8
133.10101	2.7
135.04460	0.9
135.07104	1.4
135.08069	17.5
137.06010	3.2
141.07028	3.7
142.07770	6.7
143.08572	8.4
145.06468	6.3
145.10158	6.9
147.04427	1.2
147.08069	4.8
147.11664	2.9
149.05963	0.9
149.09685	1.1
152.06171	0.8
153.06958	2.8
154.07629	0.9
155.08606	4.9
156.09355	3.3
157.06445	1.4
157.10143	15.3
159.08044	5.5
159.11711	2.4
161.09615	2.2
163.07555	8.1
165.06990	3.0
165.09103	2.1
166.07678	2.2
167.08553	4.6
168.09329	4.5
169.06519	1.6
169.10036	1.5
171.08025	2.7
171.11685	2.8
173.05978	2.2
173.09660	2.5
173.13257	1.5
175.11186	4.8
177.06995	10.1
178.07722	1.0
179.08549	2.5
181.06444	1.0
181.10161	3.5
183.08154	1.6
183.11708	14.8
184.08817	0.7
185.09642	4.3
185.13283	1.2
187.07555	2.8
187.11195	2.4
189.06892	1.5
193.10159	2.7
195.07986	2.4
199.11192	5.7
200.17451	0.8
201.12759	2.8
203.10690	6.4
205.06534	20.6
205.08461	1.0
207.08075	1.8
209.09740	0.8
209.67220	0.9
211.11195	9.7
217.06546	1.4
217.12219	3.1
223.07562	40.9
224.07877	1.3
227.10695	3.1
229.12273	15.8
233.05991	11.3
235.07565	3.2
237.05476	1.2
245.11749	5.4
247.13292	5.2
251.07059	52.7
252.07368	1.9
253.07823	2.6
255.10092	0.9
263.07095	2.8
263.12766	2.7
270.10596	1.5
281.08105	100.0
282.08420	2.2
298.10498	4.6
298.14352	3.0
298.16943	1.4
299.09055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1439
Annotation	Tuduranine
Peak:m/z	Relative Intensity
70.06474	1.9
78.68137	0.5
78.96994	0.5
94.38009	0.5
98.04121	0.5
98.21406	0.8
107.04964	1.6
110.10836	0.5
121.06483	0.8
122.06012	0.8
130.06505	1.2
131.04988	0.5
131.07291	0.8
133.06487	0.6
143.04848	0.6
145.05260	0.6
146.06024	16.2
150.06758	1.4
155.08762	0.5
160.06238	0.7
160.07597	24.9
161.08376	64.0
162.05542	1.5
162.09131	0.6
165.06996	1.6
165.09109	3.5
166.07747	2.1
167.08517	1.9
170.96481	0.6
175.06285	1.4
175.07671	0.8
176.07062	4.1
177.07970	3.8
178.07571	2.9
179.08540	1.6
181.06488	1.1
181.10188	0.9
182.07127	0.6
183.08014	1.4
187.62717	0.5
190.08672	13.3
192.10225	59.0
193.10355	0.6
194.07283	7.7
195.08018	6.7
196.08832	0.7
197.09709	0.7
198.06844	0.7
201.10988	0.5
205.06403	1.3
206.06911	4.7
207.08044	5.0
208.08620	1.2
209.09778	2.8
210.06871	0.7
210.10371	4.8
211.07588	4.1
212.08067	0.5
221.06143	1.2
221.09547	1.1
222.06787	5.2
222.10349	4.2
223.07468	10.5
224.08385	1.3
225.09224	1.1
226.06305	0.6
226.09929	2.9
234.06389	2.0
235.07509	1.8
235.09937	0.6
237.09166	3.4
238.09837	22.1
239.07057	4.9
240.07724	1.1
241.08624	2.6
241.12297	1.4
250.09900	2.7
251.06961	1.0
253.08499	1.1
253.12277	5.3
254.09392	13.3
255.10008	1.4
265.08353	0.7
266.09018	12.0
266.11679	0.6
267.09845	1.0
267.12643	0.6
268.06903	0.9
269.11749	16.5
270.11380	0.6
280.32028	0.6
281.08353	1.2
281.11737	6.3
283.09277	2.3
283.12103	1.0
291.78415	0.6
298.11462	7.2
298.14407	100.0
299.14795	1.4
311.83029	0.6
316.19415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.144
Annotation	Anibacanine
Peak:m/z	Relative Intensity
61.01132	0.8
62.44247	0.2
67.85960	0.2
71.34462	0.3
71.34834	0.4
74.45695	0.2
75.02721	0.5
107.04959	3.1
109.23985	0.2
134.06017	0.6
135.06963	0.2
135.08038	0.6
136.06197	16.3
146.05977	0.3
148.07562	1.2
149.08331	0.3
151.07526	0.5
160.07593	1.5
162.05557	0.3
162.09166	0.5
163.04230	0.3
163.07553	0.9
167.08539	0.3
169.06416	0.2
176.07085	1.8
177.08000	1.6
178.07394	0.3
189.07822	0.2
190.08643	1.9
191.09474	0.3
192.08723	0.3
192.10263	0.3
194.07256	0.3
195.08089	1.6
201.07819	0.4
202.08647	0.4
202.59190	0.3
205.06367	0.3
206.06895	0.2
207.08037	0.7
209.05911	0.2
209.09622	0.2
212.10750	0.3
214.08649	0.4
219.07806	0.3
223.07542	3.1
224.08293	0.3
226.08505	0.3
226.12257	1.1
227.09396	0.3
235.07387	0.5
238.09702	0.5
238.12276	0.7
240.07935	0.5
240.10179	1.9
254.04497	0.9
254.11798	6.2
255.10033	1.7
255.12595	2.4
263.07068	1.1
266.08844	1.2
266.11792	0.8
268.09781	1.3
268.12491	0.2
269.11780	0.4
270.11313	0.8
280.09689	0.7
280.49493	0.2
281.08047	0.7
282.11292	3.5
283.08908	1.0
283.12045	22.8
298.14386	100.0
299.14709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1438
Annotation	Oripavine
Peak:m/z	Relative Intensity
61.41346	0.6
69.57903	3.2
69.58314	1.2
110.75607	0.7
116.98014	0.6
132.08093	1.2
147.95444	0.6
151.07610	0.8
152.06195	3.7
153.07076	1.4
155.15216	0.6
160.07619	5.3
161.08308	1.0
163.07547	2.7
165.07034	2.5
166.07787	1.5
167.08553	8.3
175.06236	1.0
176.07117	1.0
177.06932	4.6
178.07747	1.0
179.08562	0.9
181.06508	2.8
181.10117	1.6
190.08626	2.6
191.08546	2.4
192.10165	5.1
194.07280	3.6
195.06276	1.3
195.08064	26.5
197.09593	0.7
205.06419	1.4
207.08104	1.8
208.05225	0.9
209.05997	1.3
209.09573	5.8
210.06726	1.0
211.07787	0.6
211.11299	0.7
219.08009	1.9
221.09641	1.3
222.06770	1.2
223.07535	35.5
224.08318	1.3
225.05467	1.5
227.07031	1.7
235.07523	2.7
237.09097	6.8
239.07147	1.2
239.10725	1.9
240.07782	2.1
249.09052	1.3
254.09399	1.9
255.10172	37.8
269.11783	9.1
277.39819	0.7
298.14383	100.0
299.14816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1076
Annotation	Norcularicine
Peak:m/z	Relative Intensity
69.77753	3.1
84.08000	0.6
107.04938	0.9
128.75024	0.5
147.11086	0.6
149.41362	0.5
154.74274	0.6
165.07005	1.0
166.07399	0.9
167.08601	2.2
176.06172	1.2
177.07031	9.5
178.07446	1.1
179.08574	1.7
180.94890	0.6
181.06558	0.6
189.07013	1.4
195.07968	2.7
205.06512	25.4
206.06989	2.3
207.08034	2.5
208.07449	1.0
210.09128	0.7
211.07260	0.7
223.07567	39.6
224.07832	2.0
225.07779	0.5
225.09013	0.7
233.05995	11.6
234.06369	1.3
235.07614	3.3
236.06911	1.1
237.05452	1.0
238.09404	1.4
239.09798	0.6
240.10020	2.3
241.07605	1.4
251.07066	46.8
252.07352	1.4
253.07593	3.1
254.17622	0.6
263.07022	3.1
266.08902	1.9
267.09128	0.8
268.09497	6.2
269.07065	1.0
270.10751	1.2
281.08112	100.0
282.08340	1.7
283.08725	1.6
298.10522	16.3
298.14395	2.2
299.05518	0.6
306.18549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
50.12345	0.1
61.01157	4.9
63.32823	0.1
68.24508	0.2
69.03430	0.3
71.00546	0.4
75.02711	2.4
78.42033	0.2
85.02940	0.2
93.75558	0.2
94.04047	0.4
97.02908	1.4
103.02182	0.4
119.03554	0.6
120.04436	0.2
133.52968	0.2
136.06195	100.0
137.04576	0.4
137.06589	0.3
140.04980	0.2
145.03209	1.3
146.05977	0.3
151.07545	0.5
152.06230	0.2
160.07607	0.4
161.49940	0.2
163.04262	1.4
163.07515	0.3
165.07050	0.2
167.08557	0.6
168.04506	0.4
177.06993	0.6
179.08615	0.3
191.08531	0.3
192.10291	0.3
194.07249	0.3
195.08125	1.5
196.03920	0.2
205.06395	1.0
206.06885	0.5
207.08087	0.5
208.08334	0.2
209.09543	0.3
219.08086	0.2
223.07530	2.7
224.07999	0.2
235.07533	1.8
235.09541	0.2
237.09181	0.3
238.09497	0.5
239.11000	0.2
240.07727	0.2
241.08447	0.2
251.06975	0.6
254.04489	2.1
254.11809	0.2
255.05402	0.1
255.10164	1.9
263.07037	6.3
265.07391	0.3
266.08978	1.2
269.11768	0.6
280.09738	0.6
281.08112	2.2
282.31198	0.2
283.09082	0.4
283.12128	0.7
298.03763	0.8
298.09979	2.4
298.14426	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
51.06260	1.0
51.64487	0.9
53.03947	1.9
55.01862	3.8
55.05270	1.9
55.05514	28.3
57.03419	4.3
57.07073	5.2
59.04982	1.4
65.03928	1.7
67.05508	79.9
67.85256	1.0
69.03426	2.1
69.07072	40.1
70.15263	5.3
71.05000	10.1
71.08627	1.7
71.76909	1.0
73.06512	1.0
75.75588	1.6
79.05497	36.0
81.07060	100.0
83.04973	6.2
83.08221	1.4
83.08627	18.9
85.06547	5.3
91.05484	17.4
93.06472	2.1
93.07047	40.1
95.04971	3.0
95.08613	82.6
97.06536	9.5
97.10177	13.6
99.08057	1.9
105.07028	10.0
107.04927	2.1
107.08597	25.3
109.06513	3.3
109.10162	48.2
111.08086	5.9
111.11713	3.5
113.09637	1.3
114.46384	1.2
117.06998	4.2
119.08580	12.3
121.06497	1.0
121.10151	23.2
123.08065	3.5
123.11720	20.4
125.09625	3.1
131.08566	11.5
133.10170	8.4
135.08040	2.8
135.11720	16.7
137.09604	2.5
137.13251	11.3
139.11188	2.6
142.07762	1.5
143.08502	1.6
145.10153	6.5
147.11687	11.5
149.13245	7.6
151.07538	1.4
151.11183	3.2
151.14796	3.4
152.06250	1.2
153.12741	3.3
155.08542	2.2
157.10184	1.9
159.11700	7.3
161.13268	8.3
163.11113	2.3
163.14832	3.5
165.06976	2.2
165.12758	3.3
166.07579	1.4
167.10707	1.2
169.06439	1.1
171.11731	1.5
173.11841	1.6
173.13257	5.6
175.14796	1.7
177.07039	1.4
177.16420	2.1
179.14334	2.7
181.10210	1.8
181.12279	1.6
183.11633	1.2
187.13365	1.2
187.14766	5.6
191.14415	1.3
193.15746	1.1
194.07190	2.8
195.13878	1.6
197.13379	1.4
199.14772	1.0
205.06448	3.4
207.08090	1.2
209.15338	2.9
210.06444	1.2
213.09015	1.2
222.06671	2.9
223.07539	4.1
223.16911	2.0
233.06012	1.7
237.09163	3.3
239.06984	1.5
240.07333	1.9
243.21146	9.9
251.07050	4.4
252.07384	5.0
254.07703	1.4
261.22141	32.5
265.08606	8.2
267.06464	1.8
267.09103	1.2
269.10019	2.4
279.23199	87.8
281.08020	4.4
282.08743	2.3
297.06113	3.7
297.11069	10.6
297.14957	2.0
297.18472	5.1
297.24420	7.1
298.05609	2.4
298.10770	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03938	4.3
55.01874	4.6
55.05513	22.8
57.03419	4.2
57.07073	5.7
65.03934	1.8
67.05508	75.1
69.07069	38.3
71.05001	11.0
71.55936	2.9
79.05497	35.3
80.14318	1.6
81.07063	100.0
83.04974	6.6
83.08629	18.6
85.06557	11.7
91.05489	19.3
93.07049	44.0
95.04966	4.0
95.08614	88.2
97.06534	10.9
97.10174	15.1
105.07033	18.4
107.04987	2.3
107.08592	26.5
109.06521	2.7
109.10166	38.8
111.08088	3.1
111.11741	3.1
117.06994	5.2
119.08575	13.8
121.10146	28.3
123.11722	20.6
125.09631	2.6
126.39460	1.8
128.75493	1.8
129.06989	3.0
131.08588	13.7
133.06505	5.4
133.10143	12.4
135.08015	2.9
135.11700	17.7
137.09674	2.7
137.13271	6.8
137.58572	1.6
139.11220	3.4
142.07787	2.5
143.08586	4.0
145.06506	1.7
145.10144	10.9
147.11719	10.3
149.13252	7.4
151.11168	3.8
151.14816	3.4
153.12747	2.5
155.08688	2.9
157.10139	4.0
159.11725	8.7
161.13271	7.1
165.07002	2.9
165.12753	4.7
166.07617	2.8
167.08589	2.7
167.10745	2.1
169.10167	1.9
171.08058	2.8
171.11714	2.9
172.08873	2.1
173.09656	6.1
173.13281	5.5
175.14882	2.9
177.12621	2.2
178.31480	1.9
179.14311	2.7
181.10130	3.0
185.08125	1.8
185.09682	5.2
185.13187	2.6
187.14809	4.3
194.07321	2.8
195.11861	1.9
195.13680	3.3
199.14851	1.9
201.09023	2.1
201.16319	2.6
203.82497	1.8
205.06511	2.1
207.11620	2.3
209.09525	2.5
209.13261	3.0
209.15332	3.7
221.09558	1.9
222.06834	2.0
223.07509	2.8
223.11179	3.4
223.14854	2.0
223.17075	2.4
225.12762	1.7
236.08246	1.9
236.12018	2.9
237.09038	3.7
237.12772	2.1
237.18616	2.0
239.07054	2.7
243.21103	10.3
251.07175	3.6
251.14322	13.0
251.17841	2.9
261.22156	25.9
265.08597	6.6
279.23209	83.4
281.08167	5.0
282.08878	2.2
297.11169	9.3
297.14822	16.3
297.18484	15.0
297.24384	15.9
298.07553	2.5
298.10593	8.7
299.06335	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1124
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
50.09483	0.5
58.32615	0.5
61.02367	0.5
67.12405	0.4
70.09068	1.8
96.19801	0.5
104.70499	0.4
105.14825	0.5
105.23737	0.4
141.07089	0.6
153.07054	1.0
158.99698	0.5
165.07022	4.8
166.07785	5.2
167.08617	0.9
168.05746	0.7
176.06378	2.0
177.07013	20.8
178.07857	1.6
179.08565	4.0
181.06546	1.1
181.10245	1.0
183.08134	2.3
189.07028	3.0
190.07762	3.4
191.08563	9.7
193.06525	3.0
194.07288	21.1
195.08066	2.1
202.07849	0.7
204.05829	0.9
204.74519	0.5
205.06506	44.0
206.07242	1.9
207.08078	6.3
208.08844	3.0
209.09636	4.9
211.07553	6.4
218.07271	1.7
219.08089	7.3
220.08766	0.8
221.06000	5.9
222.06769	35.2
223.07559	4.4
224.08296	0.8
225.09081	1.1
226.09833	1.3
233.05998	16.0
234.06688	3.1
235.07544	2.6
236.08344	3.8
237.09123	62.0
238.09641	1.0
239.07021	13.2
239.09244	1.0
247.07550	2.3
249.05481	1.7
250.06261	6.2
251.07004	5.5
252.07671	0.6
253.08565	1.6
254.09389	6.5
255.10098	1.2
263.07077	1.5
264.07742	1.5
264.55606	0.6
265.08612	100.0
266.09348	9.3
267.03824	1.0
267.06537	13.3
268.07269	0.8
282.08862	25.6
296.13916	0.6
297.11172	61.7
298.11551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01868	0.4
56.96562	0.5
57.03437	2.7
61.02937	1.7
69.03434	4.7
70.93705	0.3
70.94049	0.6
71.01341	0.7
71.04983	1.0
73.02925	1.1
75.04485	0.6
81.03411	0.7
84.08160	0.3
85.02903	1.0
87.89915	0.2
90.91964	0.3
91.05487	0.4
95.41893	0.2
97.02878	0.4
98.97578	0.9
99.04465	1.2
106.06551	0.3
109.02857	0.3
116.98595	0.3
117.05553	0.2
119.04951	0.2
119.07069	0.3
123.04472	0.4
127.03914	0.4
133.07626	11.7
135.04453	0.3
135.05507	0.3
136.07568	0.8
137.05978	0.4
144.06879	0.4
145.07614	17.2
152.07062	0.3
163.08673	64.5
164.07059	0.3
175.08650	0.4
177.00798	0.3
177.05484	0.3
182.00072	0.3
192.07620	0.5
218.07913	0.3
219.01666	0.3
233.10095	0.4
237.02831	0.4
238.08151	0.4
251.10793	0.5
258.02451	0.3
267.13367	0.6
279.13394	2.5
283.02780	0.4
296.47467	0.2
297.14465	100.0
298.14801	0.5
299.06085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01864	7.1
55.05512	4.3
57.03432	7.8
59.05009	1.9
61.02925	12.8
63.79092	1.5
67.05501	6.4
68.99783	2.5
69.03437	10.7
69.07056	2.1
69.53642	4.0
69.54039	10.0
70.06574	3.4
71.01374	2.7
71.04984	3.6
71.75021	1.7
72.08188	1.7
73.02905	6.7
73.04762	2.3
79.05494	8.9
81.03407	7.4
81.04516	1.9
84.08140	3.0
85.02915	8.8
91.05417	11.3
93.07041	6.3
95.04968	7.4
95.08614	3.2
97.02904	10.5
99.04424	2.6
103.03954	20.1
103.05450	10.9
105.03401	2.3
105.07018	2.7
107.04954	22.0
109.02888	3.8
111.04433	2.4
117.06992	3.1
119.04958	9.3
121.06491	16.8
122.03680	2.1
122.07150	1.9
123.04434	35.1
127.03906	3.4
131.04939	8.6
133.06624	3.4
133.07610	9.0
135.04424	5.0
135.05476	2.6
136.05128	2.1
136.06169	3.2
136.07629	1.9
137.05977	7.0
139.03931	5.2
140.04668	6.2
141.07069	1.9
145.06546	3.6
145.07593	15.2
146.02786	1.7
146.03674	17.4
147.04434	28.2
147.11705	2.4
148.03934	1.7
149.05981	9.8
151.03886	4.3
151.06262	3.9
151.07484	3.4
153.05461	3.8
156.43997	1.7
159.04411	3.1
160.05251	1.9
161.06004	3.2
162.03139	2.5
163.03897	7.1
163.08681	52.8
164.04672	9.6
167.06952	3.0
168.04218	5.3
169.04958	1.8
171.04408	2.0
172.05199	2.1
173.06006	4.6
174.03108	7.6
175.03801	3.3
175.05135	2.6
176.97093	1.7
177.05476	24.9
179.03378	3.2
179.07028	3.0
180.04218	3.7
181.08524	2.0
183.06551	95.0
189.05537	2.2
191.03754	1.7
191.07025	3.1
192.04176	19.8
193.04683	2.6
193.06157	5.8
195.06500	6.4
200.04759	2.4
201.05534	3.8
203.03464	2.1
205.04980	12.6
205.13304	3.9
207.03096	10.1
207.06535	85.5
209.04456	2.4
209.08127	12.7
218.05690	1.8
219.06413	4.5
222.05226	24.4
223.02400	2.6
233.08109	11.3
233.12872	11.4
235.06012	10.8
237.07535	23.3
238.06978	1.8
247.06003	6.2
249.07602	8.6
261.04724	2.7
261.07602	18.0
265.06955	2.3
266.99869	5.8
267.08777	5.0
269.05862	3.5
279.08685	15.1
279.13437	9.4
283.03070	6.9
297.09653	13.5
297.14471	100.0
299.06146	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83251	0.5
55.05518	2.4
57.03450	3.2
57.07050	0.8
58.14600	0.6
60.04529	8.8
67.05510	5.9
68.83520	0.6
69.07062	3.1
70.06607	1.0
75.04488	6.3
79.05499	3.9
81.07064	27.7
83.08622	2.6
91.05483	2.8
91.50928	0.6
93.07053	12.4
95.04963	2.2
95.08614	21.1
95.09236	1.0
97.06506	1.0
97.10172	4.6
97.27682	0.6
98.21524	1.3
105.07033	11.1
107.08603	14.9
109.06519	1.6
109.10164	15.3
111.08088	1.4
113.06009	0.6
114.09190	1.0
116.64394	0.6
117.07050	0.9
119.08588	6.6
121.06483	0.8
121.10146	9.9
123.08083	3.8
123.11724	2.0
131.08575	2.6
133.10086	3.2
135.11691	6.6
137.09630	8.4
137.10611	1.0
145.10156	6.8
146.67834	0.7
147.11703	1.8
149.09657	2.0
149.13249	3.2
152.06233	2.0
153.06998	2.7
155.08624	0.7
159.11705	5.1
160.09756	0.9
161.13263	16.5
162.13641	0.5
163.11270	0.9
163.14832	23.2
165.07028	6.6
167.08601	1.7
168.05814	0.9
169.06511	0.9
173.13287	1.7
177.06967	0.8
181.06439	1.4
183.08119	1.2
191.14214	0.7
191.17949	11.5
193.06493	4.4
195.08086	0.9
197.06012	0.7
201.16403	13.3
205.06415	0.9
206.06871	1.6
209.06000	3.6
210.09108	0.8
211.07541	1.1
214.56612	0.7
218.19057	1.1
219.17464	27.3
221.05988	4.6
222.06825	0.9
223.07559	12.8
236.07509	0.6
236.19917	1.0
237.18501	21.2
238.08626	3.2
239.07065	13.4
250.08513	0.7
251.07065	29.4
252.07304	0.7
253.07446	0.9
260.20120	2.8
264.07373	0.8
266.08932	2.8
267.06622	5.0
267.09116	0.9
268.06738	1.2
268.09702	12.5
279.06625	1.3
293.14328	0.6
296.09247	31.0
296.19122	51.9
296.22241	100.0
297.09262	0.8
297.22565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.1
55.05507	2.5
57.03438	1.1
57.11580	1.1
60.04517	3.7
61.47459	1.0
62.06096	100.0
67.05515	9.5
69.07063	2.9
70.15239	1.7
70.15619	2.6
72.03110	1.0
75.04475	3.8
76.09483	1.0
79.05512	6.3
80.02509	0.9
81.07067	36.4
83.08640	2.3
91.05483	6.2
91.07936	1.1
93.07062	14.7
95.04971	1.3
95.08055	1.9
95.08620	27.6
97.06554	2.4
97.10184	2.3
105.07029	9.9
107.08606	12.5
109.06517	1.1
109.10187	7.8
111.08098	3.1
117.07043	1.0
119.08611	6.2
121.10165	7.7
123.11702	2.1
125.09663	1.1
128.06229	1.0
131.08560	2.5
133.10124	5.3
135.08087	1.9
135.11700	3.3
136.12114	1.2
137.09665	2.7
145.10114	3.7
147.11711	3.6
149.13239	1.7
152.06186	2.7
153.07043	2.1
155.08588	2.3
157.10059	1.4
159.11674	2.0
161.13252	8.4
163.14844	19.5
165.07022	6.6
167.08548	2.3
177.06883	1.8
181.06485	2.7
183.04286	1.1
189.16432	5.9
191.18044	2.4
192.06737	1.0
193.06435	5.0
194.07262	1.6
195.07892	2.4
196.72076	1.0
201.16415	5.0
205.06461	1.6
206.06871	3.4
207.17543	2.8
209.05962	3.0
211.07629	1.8
216.42606	1.1
217.15942	1.1
219.17456	4.8
221.05978	3.6
222.06813	1.3
223.07516	10.9
225.07843	1.4
234.06311	2.7
235.17046	1.6
236.07605	1.5
237.18726	1.1
238.09232	4.1
239.07063	11.1
251.07068	27.5
252.06947	1.5
253.07510	2.8
260.20190	2.0
264.07361	2.5
265.08569	3.7
266.08966	7.4
267.06525	4.0
268.06546	1.6
268.09708	16.8
278.21338	2.5
279.06604	2.3
279.35690	1.0
281.07330	2.0
296.05566	20.3
296.09311	48.0
296.22220	81.5
297.11432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
57.03445	3.9
60.04528	10.8
63.12503	0.6
67.05505	4.2
69.07071	1.2
69.32418	4.4
70.06593	1.3
72.56305	0.5
75.04488	12.4
79.05506	2.8
81.07062	31.8
81.23914	0.6
83.08636	1.2
88.36809	0.6
89.22381	0.5
91.05479	3.7
93.07049	11.3
95.04978	2.2
95.08611	18.0
97.06547	0.8
97.10182	2.5
105.07034	10.1
107.08596	10.4
109.06499	1.0
109.10162	13.5
117.07033	0.9
119.08597	5.8
121.10145	7.1
123.08083	1.9
123.11705	1.9
131.08568	4.4
133.10178	3.5
135.11690	5.3
137.09624	5.7
145.10156	8.6
147.11687	0.7
149.09666	1.2
149.13240	3.0
151.83945	0.5
152.06238	1.0
153.06950	0.6
159.11699	5.4
161.13269	16.0
163.14827	27.5
165.07040	3.6
167.08562	1.1
173.13263	1.9
174.67038	0.5
175.14935	0.6
183.08159	0.8
189.16466	1.7
191.17990	6.1
193.06462	2.1
194.07166	0.9
195.08058	1.0
201.16391	19.3
209.05943	1.3
211.07430	0.8
218.19063	2.0
219.17459	19.3
221.05952	2.0
223.07561	8.0
237.18489	3.7
238.08650	1.6
239.07033	7.8
239.09268	0.8
243.62048	0.6
251.07077	16.0
260.20142	7.1
266.08670	0.8
267.06598	2.5
268.09702	6.6
278.18048	0.8
279.06589	0.9
296.05646	1.6
296.09219	16.8
296.19141	44.9
296.22247	100.0
297.18997	0.8
297.22400	1.0
305.72797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39166	0.8
55.18189	0.8
56.96554	1.2
57.03416	1.7
61.02912	0.7
65.33444	0.8
67.53515	0.7
67.84266	0.7
68.05025	0.8
69.03424	2.1
70.00574	3.4
73.02911	2.2
79.05496	1.1
81.07078	1.3
84.08146	0.9
85.02908	3.7
89.82571	0.8
91.05484	13.5
95.04971	3.4
95.06097	11.3
97.02882	1.9
98.97593	2.1
107.04996	0.7
115.05447	1.5
117.07053	1.8
119.04953	13.3
127.03909	1.0
129.06996	1.2
131.04980	0.9
133.07645	1.3
136.05212	2.2
137.06006	1.9
143.04884	0.9
145.06520	2.0
145.07642	2.5
151.07555	64.3
151.12376	1.3
155.04956	2.1
157.06546	1.4
161.06105	1.1
163.08659	7.7
164.07112	1.8
172.07538	1.0
173.05981	3.6
175.07581	3.0
176.66270	0.7
177.07771	1.0
178.08595	0.9
182.08260	0.9
187.07549	4.7
188.07048	1.4
189.07870	6.7
190.08624	2.6
193.13385	7.6
200.07086	2.3
201.05537	2.4
203.07068	3.3
204.10234	4.0
205.08653	1.6
215.07022	1.4
217.07343	43.3
218.70009	0.8
219.09024	1.3
220.09753	1.7
229.05130	0.9
232.09705	96.4
233.08095	6.5
233.10147	1.2
234.11314	1.1
250.10770	91.7
251.11270	1.4
252.12398	1.6
252.20714	4.8
253.92336	0.8
260.09155	1.1
267.07211	0.9
278.10272	17.2
278.13409	1.7
296.11340	100.0
296.14838	7.9
297.11542	1.6
297.14496	13.8
309.08337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.36727	3.3
53.03948	7.3
53.38618	2.5
53.96986	2.9
55.01870	8.7
55.05514	46.7
55.96024	3.0
57.03437	12.4
57.07077	9.3
57.39412	2.8
61.47238	3.1
64.48299	2.9
65.03936	3.1
65.52115	3.0
67.05510	100.0
69.03428	7.1
69.07072	40.8
71.04993	6.3
71.08634	53.3
71.38278	5.7
79.02577	2.7
79.05498	58.2
81.03424	19.8
81.07062	88.8
83.04990	20.4
83.08624	29.2
85.06553	8.9
91.04952	5.0
91.05485	40.4
93.07050	71.8
95.04971	25.6
95.08616	44.8
97.06548	10.5
97.10178	23.2
99.08099	40.2
99.94506	3.9
103.80194	3.7
105.07045	39.1
107.04958	7.5
107.08610	41.1
109.06554	9.2
109.10175	33.0
111.08087	7.2
113.09683	3.5
117.07021	11.5
119.08595	26.7
121.06526	3.3
121.10153	21.0
123.08134	5.5
123.11713	6.9
125.09667	21.0
129.07022	10.0
131.08589	11.9
132.89154	3.4
133.10123	20.8
135.08075	7.0
135.11690	23.6
137.09641	8.0
143.08600	9.2
145.10153	13.2
147.11688	17.8
149.13284	17.3
151.11205	36.8
153.12753	5.3
155.08649	3.2
157.10129	8.3
159.11703	9.5
161.13306	25.6
163.11198	16.1
163.14783	5.0
165.06998	3.6
165.12788	5.6
169.10168	3.3
171.11719	12.7
173.13235	7.3
175.11115	3.9
175.14928	4.2
177.07039	6.0
177.12747	4.6
179.14313	17.5
185.13310	5.6
189.11211	11.1
189.12759	3.1
193.10229	3.4
194.07246	5.8
202.97646	3.2
205.06480	19.7
207.13780	4.2
217.19600	5.6
221.15393	5.4
222.06784	5.8
231.21082	4.2
233.05980	8.7
235.07669	10.9
235.16977	5.5
237.09152	21.0
241.19571	9.8
249.16469	4.8
251.06921	3.2
259.20618	9.1
263.07092	5.5
265.08609	29.5
267.08536	6.4
277.21628	93.8
286.57019	4.3
295.09872	41.4
295.13217	7.6
295.16809	14.4
295.22797	26.9
319.25885	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	295.2272
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03946	6.3
55.01883	10.8
55.05516	54.0
57.03435	9.7
57.07086	13.3
60.43718	2.1
61.73104	2.2
65.03950	3.0
67.05511	100.0
67.05876	4.7
69.03420	10.0
69.07069	39.6
69.36336	18.5
71.04990	8.5
71.08635	13.4
71.78181	2.1
79.05502	54.0
81.03425	10.2
81.07065	85.0
83.05000	21.8
83.08624	21.9
85.02891	2.9
85.06548	6.2
85.10186	3.5
91.05489	29.5
93.07053	75.9
95.04982	21.7
95.08612	62.7
95.54282	2.4
97.02923	2.3
97.06558	13.5
97.10170	24.2
99.08127	12.3
105.07031	36.4
107.04958	3.2
107.08612	40.5
109.06528	9.0
109.10165	32.1
111.08089	8.2
113.09660	2.7
115.05468	2.6
117.07030	10.6
119.08603	33.2
121.06511	5.1
121.10156	26.2
123.08086	8.2
123.11729	11.5
125.09618	14.3
129.07010	8.2
131.08585	11.6
133.06505	2.6
133.10132	20.9
135.08066	7.1
135.11687	20.1
137.09615	15.5
137.13269	4.9
139.11223	14.7
140.36093	2.2
141.07018	2.9
142.07764	2.6
143.08562	7.9
145.06538	2.3
145.10159	12.0
147.08063	4.7
147.11681	15.7
149.13251	10.1
151.11169	13.8
153.12708	3.7
155.08592	2.8
156.91121	2.6
157.10168	7.5
159.11728	8.2
161.09671	2.6
161.13316	12.0
163.03928	2.8
163.11221	4.7
163.14859	4.9
165.07007	3.5
165.12729	9.3
167.08714	2.4
167.14343	3.0
169.10168	3.5
171.11693	6.3
173.11868	3.3
173.13310	6.4
175.11206	4.7
175.14822	5.2
177.07121	5.1
178.07721	5.5
179.08612	6.3
179.14357	5.8
181.10216	3.3
181.12279	3.7
183.11728	5.2
185.09563	2.4
185.13326	2.8
187.14963	2.5
189.11205	7.8
189.12799	2.5
191.14314	2.6
193.10115	3.7
193.12094	3.2
193.15891	2.9
194.07292	5.9
195.11748	2.8
197.13177	3.3
199.14847	5.9
205.06544	9.4
206.11037	2.2
207.08098	3.6
207.11668	4.9
207.13728	3.8
217.15852	3.3
221.13390	3.3
222.06783	5.3
231.21086	6.0
233.06030	8.5
235.07495	5.1
235.11183	3.6
237.09239	12.3
239.71431	2.3
241.19595	7.6
249.16406	5.3
249.22156	7.3
250.06244	2.3
259.20593	10.7
263.07028	7.1
264.07910	2.4
265.08582	21.9
267.08401	2.9
277.18820	5.0
277.21680	84.3
280.07352	3.8
295.09937	30.1
295.13312	10.3
295.17404	16.7
295.22882	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	295.2268
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	10.4
55.01872	39.1
55.05264	4.6
55.05512	58.1
57.03425	2.8
57.07072	9.0
60.21753	1.9
64.66041	2.3
65.03938	3.9
67.05508	81.6
69.03432	8.8
69.07066	36.9
69.83828	10.5
71.04987	4.9
71.08636	29.1
73.06541	2.6
79.05061	3.4
79.05499	50.0
81.03420	15.2
81.07058	72.0
83.04992	17.3
83.08624	33.5
85.06547	5.4
85.10183	7.7
91.05487	40.1
91.06023	4.6
93.07045	53.6
95.04971	16.6
95.08607	49.7
97.06536	18.5
97.10174	16.2
98.21482	3.2
99.08096	23.9
105.07034	35.5
107.04947	5.2
107.08600	32.3
109.06490	10.5
109.10151	29.1
111.08083	43.4
113.09633	10.2
117.07027	8.3
119.08581	24.2
121.06532	3.4
121.10149	28.2
123.08104	11.9
123.11680	10.5
125.09640	13.0
131.08557	10.6
133.10133	25.6
135.08160	2.7
135.11693	15.9
137.09637	8.1
137.13158	2.5
139.11198	9.7
143.08595	7.0
143.14014	2.3
145.10136	8.6
147.11703	22.8
149.09622	9.7
149.13235	16.8
151.11169	31.3
153.12729	5.0
157.10130	6.6
159.11693	8.6
161.09584	3.0
161.13232	15.4
163.11165	11.0
163.14804	3.4
165.12773	21.3
171.11719	6.6
173.13252	3.3
175.11151	4.4
175.14827	6.2
177.07024	8.4
177.12761	2.5
179.08548	3.3
179.14345	16.9
185.13297	3.9
189.11214	5.5
189.12772	3.3
193.12198	2.6
193.15971	3.5
194.07317	3.9
199.14964	4.1
205.06528	12.7
207.13844	3.9
222.06784	6.8
231.21172	6.0
233.05968	11.1
235.07491	5.2
235.13127	2.8
237.09167	11.3
241.19576	10.9
249.22141	9.1
251.07054	4.6
259.20566	15.4
263.07019	3.6
264.07993	2.7
265.08606	18.7
267.08539	7.7
268.09698	2.6
277.21625	100.0
280.07242	3.7
295.09882	31.9
295.13220	3.3
295.22702	53.3
296.09366	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	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.22551	3.4
50.25974	3.4
53.03934	12.0
55.01868	6.8
55.05267	4.2
55.05518	43.5
55.11430	3.7
57.07076	15.0
59.04990	3.9
65.03944	5.7
67.05177	5.2
67.05512	94.0
69.03428	9.0
69.07075	40.4
70.99308	7.9
71.04982	12.4
71.08642	97.9
79.05061	6.0
79.05501	71.8
81.03400	14.7
81.07066	87.3
83.04992	24.3
83.08644	33.3
85.06564	7.2
91.05488	53.5
93.07061	100.0
93.52500	4.0
95.04951	18.2
95.08622	78.4
95.56205	3.7
97.06537	15.7
97.10168	16.9
99.08108	88.2
105.03782	3.7
105.04554	3.9
105.07043	54.9
107.04941	10.7
107.08601	57.3
108.08920	7.9
109.06499	11.7
109.10164	29.1
111.08068	9.3
113.09641	3.7
113.22677	4.3
117.07018	14.9
119.08588	33.3
121.06499	8.4
121.10159	46.4
123.08083	9.2
123.11746	8.7
125.09636	13.2
125.10491	4.0
129.06992	7.2
131.08569	20.0
133.06506	4.4
133.10147	28.9
135.08084	7.8
135.11729	31.2
137.05998	4.4
137.09642	7.2
137.13300	4.5
139.07544	5.6
139.11180	12.0
141.07022	4.3
142.07790	4.9
143.08566	15.9
144.61290	4.4
145.10143	21.1
147.08037	6.7
147.11702	27.0
149.09576	5.0
149.13249	21.1
151.11194	73.0
153.12900	4.3
154.07675	4.4
155.08595	5.9
157.10129	12.9
159.11664	17.3
161.09578	11.1
161.13246	35.7
163.11203	27.1
165.06996	6.0
169.10110	9.3
171.08040	4.0
171.11703	15.8
172.21898	4.1
173.13243	11.8
175.11133	5.2
175.14828	9.4
177.07002	19.5
177.12791	6.6
178.07768	6.7
179.08528	9.2
179.14288	32.4
183.08028	5.3
183.11705	4.3
185.13243	9.4
189.11301	6.1
191.08456	5.7
193.10080	4.5
194.07236	13.1
199.14867	7.2
205.06534	45.7
206.07187	4.8
207.08141	4.5
207.11700	7.5
209.13304	7.0
217.15889	5.7
219.08136	5.1
221.06079	5.9
222.06880	19.7
233.06055	27.0
234.06793	4.8
235.07478	20.5
235.16966	6.4
237.09120	43.7
241.19495	8.7
249.16467	5.5
251.07027	6.4
252.07918	5.5
259.20593	16.9
263.07123	11.3
264.07837	7.7
265.08658	80.9
267.08542	11.4
277.21719	83.8
280.07333	6.8
286.57214	4.4
295.09607	83.6
295.13242	16.4
295.16306	19.7
295.20190	7.3
295.23096	5.6
296.09381	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03933	7.1
55.01874	4.6
55.05519	31.2
57.07078	6.1
62.52963	3.4
67.05506	70.8
69.07076	18.9
70.38802	14.1
71.08633	50.5
72.74725	4.4
72.75117	3.9
76.41248	3.8
79.05495	48.4
81.03423	10.7
81.07064	71.0
83.04989	19.0
83.08624	16.7
91.05499	36.7
93.07047	69.1
95.04971	13.7
95.08617	39.4
97.06548	16.6
97.10172	5.9
98.21403	6.2
99.08105	41.3
105.07030	33.0
107.08595	37.9
109.06518	5.5
109.10187	25.1
113.09642	5.3
119.08613	21.4
121.10143	31.2
123.08158	4.8
125.09620	9.4
126.19821	4.0
129.07053	4.6
131.08565	9.5
133.10083	19.2
135.11719	41.5
135.44655	3.8
137.09636	6.5
141.07050	3.9
143.08582	5.4
145.10139	7.3
147.11723	7.9
149.13284	13.0
151.11224	16.6
153.12814	5.9
153.94763	3.7
155.41882	4.0
157.10194	5.9
159.11661	5.2
161.13287	14.1
163.11232	7.0
170.05205	4.3
171.11685	5.1
177.06964	6.0
177.12773	6.3
179.14319	100.0
185.13225	5.8
195.11928	3.9
205.06548	11.8
222.06813	6.8
233.05965	10.7
235.16959	7.0
250.06473	5.0
265.08630	15.5
277.21686	43.4
295.09628	22.1
295.17068	9.3
295.20325	8.5
295.23840	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03953	20.1
55.01874	10.0
55.05512	33.9
57.07052	2.6
57.99696	2.7
58.08831	2.6
61.78668	2.4
65.03925	2.6
65.76055	2.2
67.05170	4.5
67.05509	69.2
69.03432	5.6
69.06720	4.1
69.07072	50.9
70.99848	6.5
71.04985	4.1
71.08609	6.2
79.05501	50.4
81.03426	79.8
81.07066	66.3
83.04993	18.9
83.08639	11.1
85.02917	2.4
85.06563	2.7
91.05476	29.0
93.07049	48.4
95.04978	45.9
95.08620	25.3
97.06549	3.7
97.10178	8.2
99.08097	4.2
105.07038	26.7
107.04878	2.5
107.08594	29.5
109.06527	13.5
109.10184	23.4
111.08093	3.2
112.37572	2.1
117.06988	4.9
119.08582	15.4
121.10152	10.4
123.11719	9.4
125.09647	12.5
129.07001	4.1
131.08598	6.2
133.10143	22.2
135.08058	3.2
135.11713	12.8
143.08565	5.8
145.10130	5.8
147.11687	16.3
149.13318	7.5
151.11191	55.5
153.09103	7.3
153.12755	2.2
153.55394	2.1
155.08556	3.3
157.10175	4.6
159.11732	4.4
161.09575	3.7
161.13258	16.8
163.14865	6.1
165.12769	12.5
171.10252	2.9
171.11749	6.8
175.11188	2.6
175.14851	6.4
177.07001	3.2
177.12689	2.8
179.14317	6.5
185.13310	4.0
187.66185	2.6
193.12224	3.7
194.11238	2.4
199.14862	3.6
205.06548	4.5
207.08200	2.5
207.13853	5.6
213.16376	2.4
217.19466	2.7
221.15349	4.0
222.06885	4.8
231.21150	16.3
233.05891	3.0
235.07542	4.6
237.09210	6.8
238.77919	2.5
241.19516	3.7
249.22223	7.6
259.20633	9.9
265.08664	13.3
277.21646	100.0
295.09811	13.6
295.17065	3.6
295.20502	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03932	2.6
55.01868	5.0
55.05508	19.3
57.03441	34.6
60.89901	2.3
67.05183	3.3
67.05506	50.7
69.07076	19.2
69.95467	4.0
69.95874	9.0
70.43768	2.3
71.04988	5.0
75.71355	2.3
79.05501	45.5
81.07061	100.0
83.04979	6.8
83.08620	13.8
85.06520	4.7
91.05488	30.2
93.07045	49.5
94.60048	2.2
95.04948	6.6
95.08614	74.5
97.06561	5.8
97.10143	8.3
98.21365	3.3
99.08068	6.6
105.06496	2.1
105.07048	25.8
107.08598	39.1
109.06511	8.2
109.10169	26.7
111.08074	9.3
117.07005	8.6
119.08588	18.9
121.10149	37.6
123.08054	9.6
123.08868	2.4
123.11688	8.1
125.09633	5.3
129.07001	4.9
131.08588	17.5
133.10117	22.8
135.07994	2.8
135.11725	26.4
136.07657	3.0
137.09642	5.2
139.11188	5.3
143.08554	5.3
145.10150	17.1
147.11685	13.1
149.09589	4.6
149.13255	14.6
151.11171	5.5
155.08603	4.9
157.10103	6.9
159.11710	11.7
161.13269	7.7
163.11139	3.8
163.14803	4.7
165.06966	4.2
167.08586	2.6
169.10146	3.6
171.11705	3.8
173.13251	6.9
175.11134	3.3
175.14845	5.0
177.07024	11.2
178.07782	4.6
179.08548	4.9
183.11719	3.3
185.13234	7.4
187.14841	16.1
194.07343	10.8
196.56825	2.7
199.14827	5.1
203.18036	4.8
205.06493	24.7
205.15874	12.9
207.07991	3.0
207.11682	4.2
207.17398	3.0
221.18959	8.9
222.06868	11.6
223.07303	2.5
223.16933	7.8
231.20990	2.8
233.05988	17.5
235.07629	12.2
237.09166	24.6
241.19489	5.2
249.16371	2.9
250.06207	4.2
259.20532	14.8
263.07040	8.1
264.07828	5.2
265.08627	40.2
266.08759	2.7
267.08676	2.6
277.18814	3.8
277.21640	47.5
280.07339	5.0
286.56973	7.2
295.09714	46.6
295.16840	11.8
295.20160	5.3
295.23129	4.2
296.09552	7.1
308.05594	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
62.92370	0.8
67.05476	1.4
69.03427	1.1
70.85279	1.9
70.85651	0.6
79.05480	1.0
80.80607	0.6
81.07049	2.8
85.02903	1.0
90.78929	0.8
91.05480	2.3
93.07044	2.7
95.08590	2.7
105.07034	4.7
107.08607	4.0
109.10185	1.0
110.06578	0.7
111.08057	1.2
117.79433	0.6
119.08589	13.1
124.07582	3.9
131.08548	1.3
133.10152	9.3
136.07220	0.6
142.07788	2.2
143.08559	3.5
145.10065	1.2
149.09647	1.8
153.07036	1.6
156.09337	1.5
157.10130	26.2
159.11700	3.1
161.09599	5.4
165.06982	3.5
165.09132	1.4
166.07823	2.4
171.11711	5.8
173.13359	1.9
176.06282	2.3
177.07005	22.0
178.07790	10.1
179.08598	10.4
179.10674	3.0
181.06540	1.7
181.10077	1.3
189.07018	5.7
189.12805	1.8
190.07819	2.1
191.08591	4.0
193.06480	3.5
194.07281	10.1
195.07967	2.4
197.13268	1.8
199.14839	38.1
201.06664	0.7
205.06500	44.1
206.07169	3.9
207.08047	6.3
208.08745	1.1
209.05991	1.7
209.09663	2.7
213.16399	25.4
215.30087	0.7
217.06528	1.6
217.12280	1.9
217.15860	7.0
218.07274	1.0
219.08061	4.4
220.05119	0.8
221.05994	5.8
222.06773	19.0
223.07521	4.5
223.14758	0.9
224.08282	2.0
231.17445	2.2
233.06009	15.8
234.06755	3.9
235.07558	100.0
236.07959	4.2
237.05522	1.0
237.09134	12.6
241.15889	6.9
247.07603	2.6
250.06265	4.6
251.07056	4.8
251.09738	0.8
252.07849	5.9
259.14957	0.6
259.16940	29.9
263.07056	52.7
264.07755	9.9
265.08606	23.8
265.56247	0.7
266.08810	0.8
267.10205	1.0
277.17984	3.5
279.06577	1.3
280.07315	18.9
280.10196	1.5
295.09671	89.1
295.19116	2.1
296.09839	3.2
308.78250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24324	1.4
55.01878	2.2
57.03424	2.5
61.02927	2.4
69.03421	6.0
69.51212	10.2
71.01334	3.9
73.02915	3.8
79.05496	3.3
85.02914	13.0
86.09687	2.0
89.18938	1.6
91.05490	5.7
93.07066	2.1
97.02898	8.0
102.04727	1.4
103.03904	1.5
103.05462	7.2
105.07035	1.6
107.04968	4.7
115.03931	3.1
115.05465	5.0
117.07021	4.0
119.04954	4.7
121.06541	2.0
127.03925	2.4
128.06242	2.5
129.07057	2.1
131.04959	16.3
132.05750	2.7
133.05034	1.5
133.06487	5.2
135.08055	3.9
136.07599	14.0
137.05991	2.9
145.04953	2.0
145.06487	12.5
146.07297	4.5
147.04401	5.5
147.08073	3.6
148.05208	4.7
149.05968	5.7
150.07791	10.0
151.07567	7.1
157.06438	1.7
159.04416	7.8
159.08038	2.7
160.05234	4.9
161.05989	17.8
162.06673	1.7
163.03836	1.5
163.07538	12.5
173.05988	5.9
174.06764	5.1
175.03903	3.3
175.07559	13.7
176.04704	14.5
176.08330	21.2
177.05505	13.1
177.06978	2.8
177.09045	2.7
179.07040	4.4
179.08531	1.8
180.99210	1.4
181.08636	3.4
185.05963	2.3
187.03900	1.9
187.07565	3.2
188.08351	4.3
189.05513	11.4
189.07024	3.1
189.09087	5.0
190.06244	13.4
190.09894	12.8
191.07045	45.5
191.08781	2.3
192.05803	2.1
192.07840	11.9
193.08633	2.7
199.07582	1.8
199.16420	1.3
201.05522	3.4
201.09157	1.4
202.06303	2.6
203.03430	2.1
203.07080	15.3
204.04196	4.3
204.07861	20.0
205.04956	11.6
205.06596	2.4
205.08626	6.0
206.09367	3.3
207.06477	5.2
207.08124	7.3
207.10193	18.8
208.07274	4.4
217.06610	2.0
217.08531	3.4
218.09454	4.4
219.04411	2.8
219.06552	52.4
219.10182	5.6
220.05188	7.1
220.07321	16.9
221.06082	2.5
221.08141	3.4
221.11745	13.2
222.06921	2.1
222.08839	8.4
223.09663	7.1
231.10216	3.2
233.08160	3.7
234.08894	85.4
235.07567	9.5
235.09663	100.0
237.11032	2.0
241.08762	1.7
246.08881	5.3
247.09698	2.6
249.11150	3.9
251.09113	5.2
259.09683	3.8
263.07056	22.2
263.09610	2.2
265.10837	2.2
277.10770	6.4
278.11615	2.5
280.07254	2.1
295.04886	1.7
295.05988	2.5
295.09198	7.6
295.12170	39.2
295.16614	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	295.1177
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
55.01868	10.6
55.43724	1.5
57.03445	29.1
59.04998	2.5
61.02928	10.7
69.03436	33.1
71.01355	5.0
71.55708	1.9
73.02923	43.8
79.05504	3.7
81.03413	10.5
81.07049	2.5
84.08160	2.1
85.02910	52.5
86.09715	4.6
87.04476	5.4
91.03969	2.7
91.05492	26.6
93.07049	6.3
95.04967	2.7
97.02899	100.0
99.04446	5.0
102.96933	1.9
103.03960	2.1
103.05475	5.3
105.07027	8.6
107.04951	3.4
107.08569	1.7
109.02888	7.0
111.04488	2.1
112.21557	1.5
115.03932	28.0
115.05442	7.0
116.21847	1.7
117.06320	1.6
117.07014	9.1
119.04941	15.4
120.08113	6.2
121.06532	10.9
123.04465	2.3
124.07585	2.8
127.03937	10.4
128.06239	12.3
129.07010	15.3
131.04936	6.3
131.08601	4.2
133.05000	16.4
133.06519	5.5
133.10066	2.6
135.08093	3.6
136.05237	2.6
136.07585	51.1
137.06000	25.9
140.07024	2.2
141.07025	5.5
143.04976	1.9
143.08565	7.6
144.05696	4.5
145.05023	9.7
145.06502	13.9
145.10138	1.8
147.04407	5.1
147.08101	3.8
149.06038	8.5
150.07727	9.6
151.03935	2.3
151.07555	32.2
151.08681	3.3
153.07008	7.7
154.08679	3.0
157.06480	16.0
158.07243	2.2
159.08044	4.2
160.05276	4.7
161.05968	8.1
161.09579	3.0
161.10762	9.1
162.06779	2.8
163.06171	1.9
163.07574	7.9
165.06982	2.1
165.09123	9.6
169.06468	6.2
170.07263	3.9
171.08055	10.8
172.05093	2.6
173.05960	8.3
174.06740	8.8
175.07591	15.8
177.05508	5.0
177.09143	5.6
179.07057	26.5
179.08545	3.1
181.06535	8.4
181.08603	11.9
185.06013	5.3
186.06628	2.1
187.07523	11.9
188.08357	4.3
189.09131	26.3
190.06212	4.7
191.07054	4.6
193.06621	2.6
193.08531	4.6
197.05984	3.7
198.06778	4.0
199.07503	9.6
201.05511	3.7
201.09138	4.8
203.07051	5.9
203.09019	2.1
203.10568	8.4
205.08604	16.9
207.06494	2.7
207.08202	2.2
207.09952	2.6
209.06024	2.5
213.09161	6.9
214.06612	2.0
215.07048	12.3
216.07935	3.1
217.08578	17.1
220.05232	4.6
221.06238	2.1
221.08046	8.9
223.09740	3.4
226.06256	1.8
227.07037	6.8
229.08710	2.5
231.10165	14.3
232.07263	1.9
233.08112	4.0
235.07544	11.3
235.09613	3.2
241.08652	3.7
244.07330	2.5
247.09677	7.3
249.11220	4.2
251.06982	4.1
259.09644	26.8
263.07095	13.4
265.10776	5.7
267.56848	1.9
277.10757	28.1
279.06531	2.6
295.04681	9.5
295.09225	6.4
295.12274	22.2
295.16553	22.1
296.05344	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0967
Annotation	9-O-Methylneodunol
Peak:m/z	Relative Intensity
69.47370	1.3
69.47795	1.8
85.65730	0.4
92.18787	0.4
98.20710	0.4
135.68324	0.4
165.06989	3.0
166.07809	1.5
167.08562	0.6
176.06209	2.7
177.07010	21.0
178.07785	3.2
179.08554	3.9
181.06526	1.3
181.10135	0.5
189.07037	2.8
190.07759	1.0
191.08595	2.2
193.06490	1.2
194.07295	17.9
195.08055	1.0
196.08789	0.6
204.05725	1.4
205.06514	44.2
206.07249	3.0
207.08127	3.9
208.08879	0.9
209.05989	0.5
209.09567	0.4
217.06509	1.1
218.07257	0.8
219.08041	1.6
221.05965	1.9
222.06770	27.4
223.07484	2.0
224.08310	1.7
232.05092	0.5
233.06000	29.5
234.06783	4.4
235.07556	8.8
236.08226	1.0
237.09126	36.1
238.09470	1.0
247.07715	0.9
250.06261	4.8
251.07043	2.5
252.07846	4.1
263.07077	7.3
264.07864	6.4
265.08618	78.5
266.08923	0.7
279.06497	1.4
280.07346	4.2
295.09677	100.0
296.09955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1027
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.16124	1.4
52.01109	1.4
55.01871	2.6
57.03443	53.4
59.04998	1.4
61.02929	14.9
64.04140	1.3
65.97481	1.4
69.03436	55.7
69.07064	3.8
70.38444	5.2
70.74200	1.4
71.01369	10.6
71.05008	1.8
72.93784	1.4
73.02925	100.0
81.03416	5.8
81.07075	2.0
83.04955	1.8
84.04513	4.0
85.02914	68.5
86.09715	14.6
87.04477	5.0
91.03980	2.2
91.05454	1.6
95.04968	1.8
96.08167	1.4
97.02901	68.4
99.04480	3.3
109.02879	5.3
115.03940	64.8
119.08667	1.4
120.08086	3.8
123.04502	1.6
127.03926	14.4
132.95842	6.4
133.04977	15.1
144.95857	1.7
145.04948	17.1
150.07811	5.0
150.96916	4.4
151.03958	1.9
151.07558	2.4
162.96924	2.1
163.06049	2.4
169.06549	1.7
174.96928	4.6
177.06970	1.5
179.08522	1.4
186.96915	2.5
192.97984	1.8
200.45802	1.5
205.06522	4.7
223.05905	1.6
233.06062	1.8
234.99098	2.0
235.07542	3.3
237.09132	2.7
249.13181	2.3
263.07083	2.2
265.08569	5.5
277.11783	2.3
280.07059	1.7
295.01300	1.6
295.09711	6.0
295.12991	5.6
295.16425	2.6
295.20322	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0965
Annotation	9-O-Methylneodunol
Peak:m/z	Relative Intensity
55.01873	0.6
57.03423	2.7
61.02908	1.0
68.83358	0.6
69.03433	3.5
69.66281	0.7
71.44684	1.2
73.02919	4.2
84.99304	0.7
85.02893	4.2
96.74524	0.6
97.02916	3.2
105.40778	0.8
115.03927	2.8
127.03988	0.7
133.04932	1.3
134.34781	0.7
137.47549	0.6
150.59515	0.6
152.06183	1.1
153.06964	1.9
165.06982	5.8
166.07802	5.1
167.08623	1.3
169.06345	0.7
176.06212	2.0
177.07011	14.0
178.07776	9.6
179.08543	6.4
181.06514	2.8
181.10120	1.1
189.07004	5.6
190.07751	4.2
191.08563	10.9
193.06523	5.3
194.07269	19.0
195.08107	4.2
196.08896	1.2
204.05719	2.0
205.04575	1.4
205.06503	27.3
206.07294	4.8
207.08087	4.9
208.05057	0.8
209.06068	3.0
209.09599	5.3
217.06404	0.8
218.07402	0.9
219.08066	7.4
220.28456	0.6
221.05984	11.2
221.65211	0.7
222.06763	19.0
223.07529	10.2
224.08273	2.3
232.05135	0.8
233.06049	5.7
234.06779	2.3
235.07542	31.1
237.05461	1.1
237.09122	7.9
238.09129	0.8
247.07498	3.4
249.05568	0.7
250.06256	6.1
251.07056	7.8
252.07845	11.4
262.06213	0.7
263.07047	92.7
264.07736	6.6
265.08633	11.2
279.06567	1.0
280.07312	67.7
281.07559	0.8
295.09656	100.0
296.10013	1.4
296.12936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2069
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
55.01873	0.6
55.05517	0.6
55.54506	0.3
57.07063	1.2
57.18079	0.3
66.04724	0.3
67.05499	1.3
69.07068	0.6
69.38518	2.3
71.08629	1.0
75.08573	0.3
77.03938	0.3
79.05503	1.5
81.07073	2.0
83.04982	0.4
83.08618	0.4
91.05484	1.0
92.05807	0.4
93.07021	0.7
94.04195	2.5
95.04990	0.6
95.08619	0.7
97.10168	0.4
105.07038	0.7
106.07378	0.3
107.05000	0.5
107.08594	1.1
108.08923	0.8
109.06547	0.7
109.10132	0.4
116.65582	0.3
119.08605	0.3
122.03661	7.0
123.11716	0.3
131.08643	0.6
137.05989	100.0
138.06348	0.7
141.12766	2.7
158.15417	1.4
170.15327	0.4
176.92223	0.3
199.82297	0.3
205.06561	0.5
207.08235	0.3
210.09319	0.4
237.09071	0.4
249.92596	0.3
258.19275	0.5
264.07590	0.9
265.08749	0.6
266.08127	3.2
276.20410	1.9
294.07736	3.2
294.20920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
55.05504	0.6
57.07068	0.7
59.04309	0.3
62.49862	0.3
64.33947	0.3
67.05489	1.3
69.07051	0.3
70.95969	0.8
71.08647	0.4
79.05497	1.5
81.07059	2.5
91.05479	1.4
93.07053	0.6
93.66534	0.3
94.04195	2.0
95.04957	0.3
95.08626	0.7
97.06549	0.4
97.10206	0.6
105.07040	0.7
107.08591	1.4
108.08935	0.5
109.06525	0.6
114.61586	0.3
119.08619	0.4
122.03664	7.6
123.11732	2.1
134.10454	0.5
137.05988	100.0
138.06322	0.7
158.15428	1.3
170.15408	1.7
191.70589	0.3
203.06981	0.4
206.06787	0.4
231.24300	0.4
234.06441	0.4
236.07954	0.3
237.09122	0.5
264.07285	0.6
265.08752	0.5
266.08133	3.9
276.20413	1.3
286.52353	0.3
294.07639	3.6
294.21112	0.7
295.09610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.37507	2.3
53.03946	5.7
53.66253	2.3
55.01877	23.6
55.05514	21.5
57.03434	6.7
67.05513	39.9
69.03438	4.0
69.07076	19.3
71.44822	4.5
79.05499	47.8
81.03400	8.8
81.07066	38.5
83.04990	2.9
83.08633	13.2
91.05486	39.0
93.07043	33.6
95.04970	11.4
95.08614	32.3
97.06540	21.1
97.10169	13.6
105.07031	34.4
107.04954	7.7
107.08605	66.9
109.06537	12.7
109.10139	16.3
117.07034	7.6
119.08590	26.7
121.06541	3.7
121.10146	15.0
123.08088	10.6
123.11735	4.4
125.09660	14.5
129.07002	4.7
131.08563	15.5
133.10175	24.1
135.08075	4.1
135.11691	10.4
137.09610	5.5
143.08574	6.0
145.06502	4.2
145.10143	18.3
147.04404	11.1
147.11694	17.3
149.09637	22.4
151.11195	8.7
157.10187	3.9
159.11679	16.7
161.13310	5.5
163.11218	7.0
165.09142	6.4
169.10121	4.1
171.11771	5.9
175.11217	2.7
177.05496	2.9
177.12910	2.7
185.13309	5.5
187.11188	4.2
189.11194	8.4
203.14488	3.5
205.06488	9.1
219.13872	3.2
219.17505	15.5
221.15468	3.2
229.19527	5.2
235.07594	9.7
239.17856	6.2
247.20573	6.3
257.18939	16.6
263.07086	11.6
275.20093	100.0
293.08017	10.6
293.21176	22.7
294.07736	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	4.5
55.01871	12.5
55.05515	56.0
57.03437	4.4
57.07058	3.2
61.27698	2.9
65.03934	3.1
67.05173	4.7
67.05508	65.6
67.27962	2.3
69.03427	9.8
69.07071	30.3
71.05002	6.1
71.36063	5.8
79.05061	5.0
79.05496	75.5
81.03414	6.8
81.07060	56.9
83.04974	9.0
83.08631	31.1
85.24314	2.5
91.05482	45.1
93.07047	47.2
95.04980	27.0
95.08602	40.9
97.06548	13.9
97.10162	29.7
103.05482	2.5
103.13034	2.9
105.07034	50.8
107.04984	13.0
107.08603	92.7
109.06511	12.6
109.10165	22.5
111.08091	5.7
117.07016	14.1
117.94775	2.6
119.08582	36.9
121.06529	5.2
121.10136	28.9
123.08082	5.6
123.11735	5.6
125.09644	22.9
129.07068	3.7
131.08554	19.3
133.10152	28.7
135.08041	9.6
135.11723	8.9
137.09625	22.0
139.11169	10.0
143.08505	3.3
145.10150	18.8
147.04440	6.4
147.08064	3.5
147.11736	16.9
149.09618	22.3
149.13329	2.9
151.11171	7.5
153.09099	2.9
153.12788	2.9
155.08595	3.4
157.10176	6.0
159.11749	13.7
161.13245	4.0
163.11214	7.8
169.10114	3.4
173.11917	2.6
173.13309	7.8
175.11147	3.1
175.14729	3.1
177.12793	2.8
181.12260	2.5
183.11746	3.5
187.11182	4.5
189.11214	16.8
191.14413	3.1
197.13400	3.2
203.12802	7.9
205.06483	3.5
205.12088	2.6
210.64819	2.4
219.05014	2.6
222.77557	2.7
223.13245	4.0
229.19505	5.4
233.15506	3.2
235.07512	6.1
235.69780	2.3
239.17998	8.0
247.20580	5.7
257.19037	17.2
261.18439	2.4
263.07074	9.5
266.08420	2.4
275.20099	100.0
293.08078	6.6
293.21060	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.62766	0.9
51.02379	1.0
53.03942	5.2
55.01871	13.2
55.05516	58.6
55.16865	1.2
57.03432	2.6
57.07074	4.8
59.04992	2.9
65.03951	2.3
67.05509	51.2
69.03431	4.3
69.07075	14.6
71.04982	4.7
71.08623	1.6
71.56074	1.6
79.05500	99.0
80.05853	1.1
81.03429	4.4
81.07063	42.7
83.04982	17.9
83.08630	21.8
85.02922	1.3
85.06554	2.3
91.05490	37.7
93.07053	44.4
95.04982	11.9
95.08607	17.1
97.06535	3.9
97.10179	32.6
99.08080	2.3
103.05437	1.5
105.07037	34.4
107.04964	50.5
107.08604	76.6
107.28051	1.0
109.06520	5.2
109.10164	20.2
111.04434	2.3
111.08080	5.6
114.72321	1.1
115.05440	1.4
117.07033	13.8
119.08592	27.9
119.09453	1.4
121.06511	3.6
121.10149	20.3
123.08071	3.3
123.11723	8.8
125.06019	2.1
125.09639	37.6
125.10555	1.9
129.06952	1.9
131.08580	16.5
133.10150	22.6
135.08070	14.2
135.11707	5.1
137.09656	2.3
141.07030	1.4
143.08586	3.3
145.10150	13.4
147.11711	18.9
149.09631	99.8
149.13307	2.5
151.11198	3.3
153.05453	1.8
153.09091	5.9
155.08575	1.9
157.10165	3.0
159.11690	10.6
161.09625	1.2
161.13245	8.0
163.11208	5.1
163.14819	2.2
167.10689	2.7
169.10144	4.1
169.12247	6.0
171.10161	3.1
171.11647	2.9
173.11775	5.4
173.13277	7.7
175.11183	1.7
177.06987	1.9
177.12700	2.9
179.08643	2.2
179.10619	1.8
181.04961	2.4
181.12262	1.9
182.99893	1.3
183.11746	2.4
185.13344	1.7
187.11243	3.2
187.13333	4.0
187.14870	2.5
189.11232	31.2
189.12898	1.9
191.10690	2.4
191.14307	1.4
192.09406	1.5
195.10199	1.6
195.11777	1.6
197.13278	2.6
201.12711	1.3
205.06573	6.9
209.11792	4.3
209.15366	2.0
215.14362	1.6
215.17931	2.6
221.08037	1.5
229.19513	8.2
233.05991	4.1
235.07509	9.9
237.11176	9.0
239.17990	4.1
243.24863	1.1
247.20604	4.6
257.19012	22.4
263.07077	13.5
266.08221	1.9
275.20087	100.0
293.08115	12.8
293.11557	2.7
293.15408	2.5
293.21216	11.1
294.07928	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03942	0.4
55.01864	0.9
55.05510	2.7
56.96563	0.3
57.07074	2.6
67.05170	0.4
67.05510	3.8
69.07075	1.3
71.04980	0.5
71.08636	1.2
71.57074	0.4
78.83547	0.2
79.05495	3.6
81.03440	1.3
81.07064	3.9
83.04975	0.8
83.08634	1.3
85.06541	0.6
91.05492	2.6
93.07050	2.5
95.04974	4.6
95.08619	2.2
97.02898	0.2
97.06534	0.8
97.10160	1.0
99.08097	1.2
105.07028	2.0
107.04302	0.3
107.04964	3.5
107.08607	1.9
108.05749	1.7
109.06522	2.3
109.10166	1.0
111.04424	0.9
115.05433	0.3
117.07014	0.8
119.08570	1.3
121.06517	7.0
121.10144	1.4
123.08112	0.5
125.06013	0.3
125.09634	0.4
131.08572	0.9
133.10123	0.7
135.04382	0.3
135.08052	1.2
135.11659	0.6
139.69800	0.2
143.08577	0.4
145.10133	0.8
147.08015	0.3
147.11668	0.5
149.09604	1.0
149.13278	0.3
151.11157	1.9
153.05473	0.6
157.10068	0.3
159.11687	0.5
159.65919	0.3
161.09622	0.6
163.11168	0.9
164.11989	0.7
165.12755	4.4
173.13185	0.3
177.07010	0.7
177.12781	1.2
179.08536	0.5
181.04958	1.0
181.10275	0.3
191.10667	1.0
191.14357	0.3
195.10223	0.5
205.06517	1.8
209.11745	2.3
219.10190	0.4
221.08286	0.3
223.13332	0.8
233.06009	0.9
235.07477	1.9
236.14110	0.6
237.11215	5.1
237.14885	0.9
249.14624	0.3
263.07050	2.1
266.08209	0.4
271.29138	0.2
275.17316	0.3
275.19937	1.4
293.08264	2.9
293.21118	100.0
294.07681	0.5
294.21423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03955	1.4
54.73862	1.1
55.01881	2.8
55.05513	14.0
57.03428	1.5
57.07073	2.3
66.48715	1.1
67.05173	1.6
67.05510	27.5
68.70273	0.9
69.03410	3.2
69.06197	1.3
69.07069	20.2
71.04986	2.9
71.57270	1.5
76.55535	1.1
79.05495	20.4
81.03382	1.5
81.07066	29.2
83.04992	6.6
83.08602	3.7
84.89720	1.1
91.04969	1.6
91.05489	19.3
93.06479	1.5
93.07051	25.5
95.04967	9.0
95.08611	22.0
97.06507	4.6
97.10175	1.6
105.07033	25.9
105.30193	1.2
107.04945	6.6
107.08605	13.0
109.06550	9.3
109.10162	10.2
111.08069	1.5
117.07001	6.1
119.08590	13.7
121.06487	10.9
121.10138	9.4
123.08064	4.1
123.11743	3.7
129.06979	2.2
131.08572	12.9
133.06439	2.4
133.10130	15.5
135.08049	5.4
135.11694	4.2
137.09628	1.6
143.08591	3.1
145.06432	2.1
145.10126	13.1
147.04366	2.1
147.08038	2.7
147.11700	12.5
147.32973	1.1
149.09647	3.8
149.13240	3.3
151.11194	7.5
155.08577	1.8
157.10132	2.3
159.08044	2.2
159.11703	8.7
161.09567	3.8
161.13293	4.6
163.11154	5.7
163.14830	1.7
171.11713	2.2
173.09599	3.0
173.13309	5.8
175.11154	3.0
177.07021	3.2
177.12711	2.9
177.50745	1.1
181.10271	1.4
183.11731	2.5
187.11224	2.2
187.14920	1.3
191.14258	3.1
197.13264	2.1
199.14751	1.2
201.12683	1.7
205.06491	8.0
207.13805	3.9
215.17903	2.0
219.13850	3.1
229.19525	2.7
233.06053	3.6
235.07533	7.0
239.17929	3.4
247.20570	3.4
247.56470	1.1
257.18970	14.1
263.07135	8.9
275.20071	100.0
276.20181	1.2
293.08026	10.0
293.21130	25.5
294.07751	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	6.8
53.17830	2.1
55.01864	8.0
55.05516	29.3
57.03426	6.7
57.07073	3.1
65.03936	2.9
65.04964	2.4
67.05183	3.5
67.05511	52.4
67.64481	2.2
69.03421	3.6
69.07073	23.6
70.27908	2.1
71.04993	8.6
71.55910	2.5
79.05495	53.3
79.65791	2.2
81.03416	7.5
81.06583	5.3
81.07060	100.0
83.04994	10.8
83.08629	20.2
85.06525	4.9
89.80243	2.4
91.05486	42.2
93.07054	35.8
95.04965	26.4
95.08612	37.1
97.06525	8.5
97.10156	12.5
99.55235	2.2
103.05478	2.3
105.07043	33.4
107.04955	11.5
107.08599	34.8
107.16610	2.2
109.06508	25.2
109.10174	17.6
111.04478	2.5
111.08090	6.5
113.05979	2.6
113.82050	2.3
117.07042	13.8
119.04955	3.9
119.08590	38.4
121.06481	6.4
121.10168	20.5
123.08092	14.9
123.11701	8.0
125.09641	10.9
129.06960	5.7
131.08592	17.8
133.06462	3.7
133.10138	20.9
135.08064	8.4
135.11690	8.3
137.05969	3.3
137.09604	11.6
141.07034	2.5
143.08575	6.2
145.06509	2.5
145.10133	18.0
147.04430	4.8
147.11691	17.8
149.09666	13.9
149.13234	3.1
151.11172	6.1
157.10110	5.8
159.11702	13.5
161.09592	2.6
161.13240	4.4
163.11281	13.1
165.06921	3.4
165.12712	6.6
169.10130	5.0
171.11720	5.1
173.09692	2.9
173.13254	6.7
175.11122	4.4
175.14749	2.8
177.06993	7.0
179.08549	2.8
185.13269	2.6
187.14891	3.7
189.11195	6.8
191.10690	3.7
201.12825	2.9
203.12831	2.7
205.06456	15.1
223.13373	3.6
229.12268	2.6
229.19429	3.8
233.05992	7.8
233.19000	2.8
235.07506	13.5
239.17909	5.6
247.20540	6.3
257.19003	9.7
263.07047	19.9
266.07904	2.9
275.20065	65.7
293.08179	25.0
293.11172	3.9
293.15332	8.1
293.21207	37.9
294.07880	2.5
294.25543	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.12078	1.6
53.03934	4.7
55.01878	13.3
55.05264	1.9
55.05513	30.9
55.22763	1.5
57.03421	1.5
62.54268	1.3
65.03950	3.8
67.05504	31.8
69.03418	4.4
69.06786	1.7
69.07077	18.7
69.21702	1.3
70.96152	2.7
71.04984	5.0
72.36718	1.4
79.05500	56.5
81.03442	7.3
81.07069	31.8
83.04997	6.9
83.08614	11.9
85.06551	2.2
91.05487	39.2
93.07046	31.9
95.04976	7.6
95.08611	20.1
97.06532	16.8
97.10173	22.2
103.05448	1.8
105.07036	42.6
107.04962	11.4
107.08601	100.0
109.06512	10.2
109.10178	10.1
111.08055	3.7
117.07042	8.8
119.04929	7.8
119.08590	23.4
121.06503	2.8
121.10168	11.5
121.10947	2.2
123.08094	4.7
123.11724	3.9
125.09637	21.2
128.06233	1.7
129.07016	2.9
130.68213	1.6
131.04990	2.4
131.08577	14.1
133.10141	24.8
135.08058	6.4
135.11705	6.6
137.09627	3.6
141.06998	3.7
142.07828	1.9
143.08562	5.0
145.06441	1.8
145.10132	17.6
145.11166	2.2
147.04431	30.5
147.07999	2.4
147.11694	17.7
149.09637	20.4
149.13252	2.3
151.11185	5.9
153.09163	2.2
153.12700	1.5
155.08588	2.9
157.10141	4.9
159.11714	13.1
161.13266	5.3
163.07655	1.6
163.11201	5.0
165.09135	5.6
167.08519	2.1
169.10112	4.2
171.11697	4.7
173.13277	4.3
176.06281	1.9
177.07001	17.4
177.12759	1.7
178.07759	3.4
179.08556	6.8
181.10121	2.0
183.11702	3.4
187.11208	2.3
187.13338	1.4
187.14848	4.4
189.07004	3.9
189.11232	15.1
191.08658	1.8
195.11685	2.3
197.13309	2.7
205.06512	41.3
206.06822	1.8
207.08109	4.6
215.14357	9.6
217.06606	2.3
229.19598	4.9
233.05992	25.1
233.15323	2.5
235.07556	46.1
237.09131	2.8
239.17946	4.2
245.05713	1.7
247.20638	3.7
257.19016	10.6
263.07074	63.0
266.08182	3.3
275.20081	82.8
293.08115	73.7
293.11313	3.8
293.15207	4.9
293.21246	15.0
293.27786	1.9
294.07910	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.0
55.01882	5.9
55.05516	21.5
56.05056	2.0
56.62151	2.0
57.03442	19.1
57.07066	4.0
65.03950	3.3
67.05171	2.8
67.05508	37.8
69.03425	4.2
69.07072	14.0
69.60249	13.6
71.04996	7.8
79.05499	52.7
81.03426	3.8
81.07060	52.9
83.04993	6.8
83.08620	15.4
85.06554	9.6
86.91689	2.0
88.07620	3.2
91.05485	61.3
91.71739	2.0
93.07056	60.9
95.04989	12.5
95.08607	36.8
97.02916	1.9
97.06535	10.4
97.10174	12.9
98.98499	2.0
99.04452	3.3
99.08102	3.2
100.91402	1.9
101.06043	2.2
103.05465	3.5
105.07036	54.9
107.04962	6.0
107.08598	61.8
109.06494	16.2
109.10173	17.7
111.04462	2.3
111.08063	4.4
113.06046	2.1
114.55688	1.9
115.05467	2.5
117.07006	16.6
119.04961	15.5
119.08588	39.1
121.06504	5.7
121.10148	17.4
123.08086	8.9
123.11733	4.7
125.09653	8.3
128.06218	4.7
129.07040	10.0
131.04958	5.4
131.08586	26.2
133.06491	2.7
133.10143	30.0
135.08086	7.3
135.11717	8.5
136.07503	2.1
137.05994	2.8
137.09618	7.7
141.07021	2.5
142.07816	4.3
143.08548	12.2
145.06529	2.0
145.10135	29.0
147.04420	61.9
147.08057	3.2
147.11674	18.6
149.09618	15.4
149.13300	4.8
151.11208	4.7
155.08559	4.4
157.10155	8.9
159.11708	25.9
161.09608	4.9
161.13263	11.8
163.11214	7.7
165.09149	2.0
167.08591	3.2
169.10162	4.4
171.11726	6.2
173.09595	2.6
173.13240	9.6
175.11217	5.7
175.14839	2.7
177.07016	11.0
177.12831	3.3
178.07736	2.6
179.08562	3.6
183.11658	6.6
185.13286	18.4
187.11234	3.6
187.14871	3.9
189.07036	2.6
189.11208	6.1
189.12733	2.7
191.08656	2.5
191.10696	2.8
195.11800	2.9
197.13292	4.4
201.09148	4.8
201.12726	3.0
201.16495	6.9
203.14323	16.9
205.06531	26.6
205.10132	2.2
205.12369	2.1
205.15974	9.2
207.08086	3.4
211.14935	2.3
215.14392	4.9
215.39447	2.3
219.13896	2.0
219.17435	32.0
221.15363	19.5
232.69299	2.1
233.06027	15.2
233.15437	5.7
235.07542	31.6
239.17937	9.4
245.25841	3.5
257.16403	3.2
257.18930	19.8
263.07043	39.3
266.08099	6.2
275.09451	2.8
275.20102	100.0
293.08102	44.7
293.11688	10.7
293.15143	4.4
293.21320	19.2
293.27774	21.1
294.07870	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	5.8
55.01668	1.8
55.01878	22.0
55.05514	23.1
57.07068	8.6
59.41611	2.0
63.00729	2.3
63.59760	1.9
67.05509	39.0
69.03431	4.3
69.07079	19.8
71.02486	5.1
71.04974	2.7
74.52827	1.9
79.05502	48.0
81.03416	7.1
81.07059	28.4
83.04977	9.4
83.08638	14.0
91.05489	31.1
93.06481	2.4
93.07047	31.4
95.04987	10.4
95.08618	21.5
97.06541	19.7
97.10194	13.9
105.07042	38.2
105.07733	1.6
107.04956	14.8
107.08607	79.2
109.06519	10.0
109.10181	16.6
111.04423	2.9
117.06991	7.6
119.04982	2.2
119.08606	17.3
121.06538	3.4
121.10149	13.2
121.26257	2.0
123.08064	7.2
123.11710	4.3
125.09624	16.6
131.08549	10.8
133.10153	19.2
135.08086	4.1
135.11667	10.8
137.05980	14.9
137.09628	3.4
143.08551	3.4
145.10144	15.9
147.04442	10.3
147.11719	14.9
149.09644	24.7
151.11171	8.5
153.09088	2.4
157.10083	2.8
159.11734	11.0
161.09564	3.2
161.13234	4.6
163.11166	7.2
165.09129	7.6
169.10094	3.9
171.11630	2.6
173.13284	5.9
175.07646	3.5
177.06908	2.9
177.12794	6.1
181.04973	6.0
181.12241	5.0
187.11182	4.7
187.14828	2.1
189.11195	9.7
191.10710	3.5
195.10187	2.7
197.13191	3.5
203.07042	3.8
203.45981	2.4
205.06485	4.8
209.11745	9.5
215.17702	2.7
221.08089	21.6
229.19650	4.3
233.05910	4.4
235.07545	8.6
237.11258	14.0
239.17897	4.4
247.20598	4.3
257.19028	11.7
263.06973	9.1
265.12009	2.1
266.07986	3.0
275.13004	3.4
275.20087	100.0
283.53369	2.0
293.08182	10.7
293.13962	2.9
293.21164	22.4
294.07700	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.79992	0.7
53.03933	2.4
55.01873	6.3
55.05514	14.3
57.03436	2.0
57.07068	1.4
67.05175	1.6
67.05510	21.4
69.03439	1.6
69.07070	10.6
70.93849	2.0
71.04985	2.9
79.05499	20.0
81.03423	4.7
81.07065	33.9
83.04973	3.5
83.08617	7.9
85.06538	1.8
91.04971	1.4
91.05492	17.8
93.06470	1.2
93.07051	17.7
95.04979	6.7
95.08621	15.8
97.06522	7.7
97.10184	7.6
105.07044	18.0
107.04966	5.0
107.08598	17.7
109.06536	10.5
109.10162	8.4
111.08064	1.7
115.05486	0.9
117.07044	4.9
119.04968	8.1
119.08594	12.1
121.06509	3.0
121.10134	8.5
123.08080	3.6
123.11712	2.7
125.09648	5.3
126.47456	0.8
131.08554	6.4
133.06549	1.4
133.10144	11.8
135.08084	3.5
135.11685	2.9
137.09595	2.9
139.11151	1.0
141.07011	1.7
143.08658	1.0
144.98546	0.8
145.06474	1.1
145.10136	7.0
147.04422	35.4
147.11707	8.7
149.09605	9.1
149.13242	2.7
151.05473	1.2
151.11227	4.3
152.06172	1.1
153.07014	1.1
157.10149	2.2
159.08105	0.8
159.11761	5.9
161.09569	1.1
161.13264	2.7
163.11208	5.3
163.14795	1.0
165.07063	1.2
165.09106	2.2
165.12746	1.7
169.10127	2.4
171.11832	1.9
172.48137	0.8
173.13310	4.3
175.11177	2.3
175.14691	0.9
176.06248	3.1
177.07024	28.1
177.12729	2.2
178.07692	4.4
179.08571	6.4
181.06512	1.9
183.11646	2.0
187.11185	2.2
187.14897	1.1
189.06961	6.6
189.11224	2.4
189.12762	1.0
190.05023	2.7
197.13350	1.2
201.12831	1.1
205.06505	61.9
206.06987	1.9
207.08090	7.9
213.16487	1.2
217.06516	2.0
219.13913	0.8
222.06747	1.7
223.13403	1.6
229.19530	2.8
233.06004	36.7
233.09579	1.7
233.18927	1.0
234.06578	0.8
235.07549	77.9
236.08005	2.8
237.14838	1.4
239.17984	3.0
245.05879	1.0
247.20596	4.1
249.05481	1.3
250.09738	1.3
251.07103	2.3
257.19016	8.1
261.09128	3.2
263.07056	100.0
264.07452	3.0
266.08157	2.8
275.16776	2.0
275.20084	47.4
276.20419	1.4
278.09518	0.9
293.08112	99.2
293.11581	3.2
293.17307	11.1
293.21140	21.6
293.24289	1.5
294.07782	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	293.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01859	6.2
55.05514	51.2
57.03419	4.3
57.07062	2.7
59.04986	2.0
65.03938	3.5
67.05180	1.9
67.05510	30.3
69.03436	10.6
69.07072	15.6
70.82613	2.6
71.04969	3.6
79.05071	1.7
79.05498	28.6
81.03413	1.7
81.06593	1.4
81.07059	31.2
83.04984	10.1
83.08622	27.8
85.06538	3.8
91.05482	32.5
93.07047	25.5
95.04953	5.8
95.08622	20.4
96.52539	1.4
97.06539	4.6
97.10173	49.8
101.09682	1.4
103.05472	1.6
105.07034	20.8
107.04939	5.5
107.08595	33.7
109.06506	5.5
109.10159	12.8
111.04426	2.2
111.08057	3.9
114.53921	1.3
115.05485	1.9
117.07034	9.6
119.04946	26.8
119.08575	13.7
121.06490	3.6
121.10163	13.2
123.08090	3.3
123.11707	2.8
124.27025	1.3
125.08762	2.7
125.09639	44.0
129.06969	3.4
131.04866	3.4
131.08560	16.0
133.06509	2.4
133.10146	17.2
135.04512	1.4
135.08067	10.2
135.11670	5.5
137.06047	1.6
137.09592	3.5
139.11182	3.0
141.06995	2.0
143.08609	3.8
143.10651	2.5
145.06470	1.6
145.10126	9.8
147.04413	96.1
147.11658	7.5
148.04759	2.1
149.06046	1.6
149.09599	8.1
151.07532	1.8
151.11194	2.0
153.07022	2.0
153.09106	3.1
155.08583	3.3
157.10118	4.2
159.08025	1.9
159.11714	7.1
161.09654	1.6
161.13177	2.4
163.11142	4.2
165.07033	1.9
166.07712	1.3
169.06516	1.7
169.10077	3.7
171.10159	3.3
171.11559	2.6
173.09622	1.8
173.13251	2.6
175.11148	2.5
176.06218	2.7
177.05505	1.2
177.06984	26.7
177.08534	2.2
177.09210	1.9
177.12756	1.5
178.07677	3.6
179.08571	11.1
181.10283	1.7
183.11644	3.3
187.14876	1.7
189.07010	6.7
189.11214	37.7
189.12914	1.8
191.08531	1.9
194.07402	1.6
197.13226	3.5
201.12761	1.9
201.16312	2.5
205.06503	70.5
206.06783	2.1
207.08066	5.2
215.14333	2.6
217.06581	2.2
221.05774	1.8
221.07942	2.0
222.06795	2.0
229.08479	1.8
229.12282	2.6
229.15962	1.8
229.19508	2.0
233.05997	34.4
233.09537	2.6
233.15343	2.7
234.06480	1.7
235.07553	76.8
236.07761	1.7
239.17923	3.8
245.06071	1.8
247.14787	1.4
247.20560	2.6
249.07362	3.4
251.06995	2.2
257.19022	5.3
261.09052	4.2
263.07050	100.0
265.12180	3.3
266.04712	1.6
266.05344	1.8
266.08173	13.7
275.09341	1.9
275.20078	34.1
277.06848	1.9
278.07559	4.1
293.08035	97.6
293.11136	6.2
293.21152	19.3
294.07629	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	2.4
55.01880	10.0
55.05514	25.3
57.03423	2.4
57.07081	2.3
59.04974	1.6
65.03951	3.3
67.05173	2.4
67.05513	37.4
69.03439	3.9
69.07076	22.3
71.05002	3.3
71.56179	1.5
71.56577	1.8
79.05065	2.6
79.05498	40.6
81.03414	6.5
81.07063	47.7
83.04982	9.3
83.08634	12.2
85.06540	3.1
91.05489	32.3
93.07049	33.0
95.04971	14.4
95.08614	33.4
97.06538	14.9
97.10189	12.1
99.08066	1.5
103.05491	1.4
105.07035	36.4
107.04954	8.2
107.08602	61.7
109.06506	10.0
109.10159	20.6
111.04442	2.3
111.08073	3.9
115.05446	1.7
117.07023	9.8
119.04948	19.3
119.08592	24.5
121.06508	4.6
121.10155	19.2
123.08102	8.5
123.11734	7.3
125.05992	1.7
125.09665	11.8
129.07007	2.6
131.04939	1.8
131.08569	12.8
133.06511	2.4
133.10127	20.8
135.08061	7.2
135.11696	8.1
137.05923	1.6
137.09618	5.0
137.13231	4.3
138.18869	1.3
141.07018	2.6
143.08549	4.4
145.06520	1.9
145.10149	17.3
147.04424	77.5
147.08054	1.7
147.11702	13.2
149.09618	15.4
149.13274	5.5
151.11188	9.8
155.08528	3.1
157.10161	4.1
159.11703	13.3
161.05963	1.6
161.09674	1.9
161.13290	6.0
163.11229	6.8
163.14819	2.0
165.09084	8.9
169.10103	3.9
171.11765	2.8
173.09671	2.1
173.11928	1.5
173.13237	8.2
175.11159	2.4
176.06284	1.8
177.07014	26.5
177.12794	4.4
178.07803	4.0
179.08604	6.9
179.10655	1.4
181.06517	2.0
181.10100	2.6
181.12283	1.5
183.11699	3.4
187.11201	4.0
187.14842	3.4
189.07024	6.8
189.11250	6.2
191.14433	2.3
193.12335	2.0
195.11780	1.7
195.13776	1.6
197.13272	2.3
201.12804	2.0
203.14331	1.5
205.04585	3.4
205.06509	66.4
205.12212	2.3
206.06931	3.1
207.08125	5.3
209.06100	1.8
211.14978	1.5
215.14384	1.7
215.17952	2.3
217.06569	3.1
218.07455	1.5
219.13908	2.3
222.06786	2.0
229.15941	2.1
229.19559	5.6
233.03929	1.3
233.05989	36.0
233.15355	2.6
233.19089	1.9
235.07562	74.8
236.07938	2.7
237.09152	2.3
239.18030	4.5
245.06042	1.9
247.20575	10.3
250.06377	2.1
257.19086	14.8
261.09329	1.7
263.07065	93.1
264.07407	3.7
266.08228	10.7
275.16885	4.9
275.20074	100.0
287.41827	1.5
293.08127	92.3
293.11310	3.4
293.15149	3.7
293.18338	2.1
293.21204	21.3
294.07709	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	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	1.0
55.05512	3.7
67.05513	2.9
69.03439	4.4
69.07069	2.6
70.72447	1.2
71.01365	0.8
71.04999	0.8
73.94428	0.5
79.05515	3.1
81.03438	1.0
81.07062	4.0
83.04980	4.3
83.08620	1.7
85.02902	1.3
91.05487	11.2
93.07051	3.0
95.04984	0.8
95.08593	3.0
97.06557	0.7
97.10189	1.5
105.07032	2.5
107.04933	1.7
107.08604	4.2
109.06503	0.5
109.10167	1.6
111.04455	4.5
111.08118	0.8
117.06993	1.0
119.04951	23.0
119.08582	2.5
121.06576	0.6
121.10143	1.6
123.11784	0.8
125.09663	0.7
125.55856	0.6
129.05478	0.7
131.08569	1.5
133.09999	1.1
145.10133	1.0
147.04414	96.5
147.11710	1.0
148.04768	0.9
149.09622	1.5
151.11205	0.8
153.06998	0.8
165.06960	1.0
176.06158	3.3
177.07004	22.6
178.07750	3.8
179.08572	8.7
181.06480	1.3
189.06979	6.1
191.08664	0.8
201.05437	1.6
205.06496	62.0
206.06889	0.9
207.08052	5.1
209.32597	0.6
210.96158	0.6
217.06519	1.9
221.05930	0.6
222.06779	1.5
233.05988	34.7
234.06592	0.8
235.07547	71.0
236.07771	0.8
237.09047	1.5
245.06047	1.4
247.07510	0.7
247.20567	0.8
249.05486	1.0
251.07135	1.0
257.19058	0.9
263.07050	97.5
264.07535	1.2
266.08252	1.4
275.09195	1.9
275.20093	5.7
293.08072	100.0
293.17169	2.8
293.20770	2.9
294.08160	2.1
308.16165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
65.03946	0.7
67.05511	0.6
69.03434	5.0
70.88580	0.7
71.01342	1.3
71.04974	0.4
76.37689	0.3
83.04985	4.1
85.02911	0.8
91.05488	9.4
93.07049	0.4
105.07042	0.5
107.04945	1.6
111.04457	2.8
114.45690	0.3
119.04948	24.6
119.08642	0.4
121.10181	0.4
129.05487	0.9
147.04417	100.0
148.04735	0.7
158.87480	0.4
176.06248	0.4
177.06981	2.1
178.07870	0.4
179.08568	0.6
189.06963	0.5
201.05475	0.7
205.06493	5.4
207.08032	0.6
217.04921	0.4
233.05991	3.3
235.07590	6.1
263.07040	8.4
271.65524	0.4
275.09296	1.7
275.20096	0.7
293.07932	8.0
294.07959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24484	0.2
55.05508	2.0
65.03961	0.7
67.05515	0.8
69.03434	8.5
69.07091	0.4
71.01362	1.2
71.04993	0.6
71.45567	0.5
79.05501	0.7
81.07068	0.7
83.04992	4.3
85.02921	1.1
89.15672	0.3
91.05487	12.3
93.07063	0.7
95.04993	0.6
95.08622	0.5
105.07060	0.4
107.04980	0.3
107.08609	0.6
109.10169	0.6
111.04455	4.8
117.07055	0.3
119.04956	27.7
119.08588	0.6
120.05315	0.3
121.10153	0.5
123.08076	0.4
129.05489	1.1
133.10196	0.3
135.08070	3.1
135.09720	0.3
145.10114	0.5
145.14671	0.3
147.04422	100.0
148.04774	0.4
153.06973	0.3
165.05548	0.6
169.06573	0.3
176.06206	0.4
177.06999	4.1
178.07837	0.6
179.08617	1.5
189.07039	1.3
205.06516	10.4
207.08087	1.1
217.06528	0.4
222.06738	0.3
233.06003	5.8
233.08292	0.4
235.07558	10.9
241.87753	0.3
257.18802	0.3
263.07047	15.6
264.07446	0.4
266.08109	0.8
275.20059	0.4
293.08023	16.0
293.21124	0.4
294.07834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01872	1.9
55.05501	1.1
56.96562	1.3
57.03431	1.6
58.02980	0.4
58.06593	0.6
61.02927	1.8
67.05506	0.5
68.05015	0.5
69.03438	4.8
69.93613	0.4
69.94032	1.0
70.06583	1.8
71.04990	1.0
72.08140	0.4
73.02920	1.3
81.03416	2.2
83.01339	0.3
84.04517	0.4
84.08147	5.9
84.96012	0.3
85.02912	10.2
86.06109	0.4
87.04472	1.1
91.03956	0.6
97.02900	3.9
98.06046	0.4
98.97578	1.7
99.04456	0.9
101.00887	0.6
101.05994	0.3
109.02901	1.2
110.07185	0.4
112.07614	7.4
114.09171	0.4
115.03937	0.3
116.07056	0.4
116.98640	0.7
119.01946	1.6
120.02028	0.7
121.01686	0.3
123.04459	0.7
124.04741	0.6
127.03933	2.6
128.02394	0.3
130.04982	0.9
130.08652	100.0
131.01900	0.6
131.08980	0.8
132.02013	0.5
133.03519	0.5
139.03899	1.2
140.04221	0.9
143.01941	0.5
145.03442	0.3
145.05058	1.4
145.06038	0.3
147.05063	0.4
148.05026	0.5
155.01910	0.4
158.99660	0.6
161.02995	1.0
162.03123	0.9
162.06430	0.4
165.06064	0.3
170.99786	0.3
173.03001	0.6
174.03200	0.4
177.00739	0.4
185.02899	0.5
189.06242	0.4
190.06218	0.5
192.04652	0.3
198.99179	0.4
202.06250	0.5
203.04134	0.4
203.07698	0.3
203.39629	0.3
204.04227	0.4
207.01678	0.3
211.08189	0.6
216.02750	0.3
217.00305	0.3
221.05083	0.3
237.02760	0.3
274.08652	0.4
292.09232	2.3
292.14026	2.3
293.11362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55410	4.3
72.43034	2.9
86.38002	3.3
93.21951	3.4
109.34145	3.3
143.01921	4.2
161.02937	6.3
196.57118	3.9
271.69543	2.9
293.06293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0808
Annotation	Pinnatin
Peak:m/z	Relative Intensity
70.40087	0.8
70.40432	1.5
70.62338	0.5
74.65783	0.4
118.90814	0.4
125.61720	0.5
153.07034	0.7
165.07001	1.5
176.06181	4.8
177.07010	22.9
178.07768	3.6
179.08571	7.6
181.06470	1.0
189.06985	7.5
194.65761	0.5
205.06502	59.4
206.06981	1.0
207.08064	5.5
209.05998	0.8
217.06404	1.6
221.05920	0.9
222.06810	1.1
233.05989	33.0
234.06703	0.9
235.07550	68.3
236.07950	0.8
237.09149	1.1
237.55443	0.5
245.05902	1.4
249.05544	1.0
251.07062	1.6
263.07053	100.0
264.07523	1.1
275.07257	0.9
276.07922	0.7
293.08096	98.2
294.08420	1.4
306.89325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03934	2.5
55.05513	16.4
55.97109	1.7
56.05048	4.0
57.03437	1.8
57.07085	14.0
59.05030	1.8
63.82837	1.7
65.41605	1.6
67.05232	1.7
67.05514	21.4
69.06734	3.2
69.07078	45.2
69.58504	11.9
69.70012	1.6
71.04991	4.2
71.08622	5.7
74.06068	3.2
79.05494	13.8
81.07065	84.1
83.05025	1.8
83.08632	26.7
85.06544	2.3
85.10138	1.7
88.07626	7.8
91.05476	6.9
93.07043	20.3
95.04952	3.1
95.08616	75.1
97.10165	7.7
98.21471	3.9
101.84805	1.8
105.07030	16.5
107.04967	2.0
107.07948	2.9
107.08607	28.3
109.06532	3.6
109.10162	47.3
109.10918	2.3
111.08121	2.3
111.11711	7.3
115.77251	1.9
119.08572	14.7
121.10162	19.7
122.08223	1.6
123.04431	3.8
123.11724	28.9
125.09644	4.7
125.13297	3.0
128.06259	2.1
129.07008	2.5
131.08574	4.0
133.10124	8.2
135.11682	20.1
137.13255	18.8
139.03918	6.9
139.11211	4.9
143.08563	4.2
145.10123	4.8
147.04482	1.9
147.11705	9.3
149.13260	15.9
151.14830	9.5
153.12727	8.6
157.06453	2.4
157.10188	2.9
159.11713	7.5
161.13255	8.0
163.14842	13.3
165.16388	1.9
167.14374	4.1
169.10173	2.6
171.02246	2.0
175.14821	2.0
177.16432	4.9
179.18011	2.1
181.15900	2.6
185.13286	5.3
188.48099	1.8
189.16411	5.8
191.17960	6.4
195.11685	6.5
203.18010	3.6
205.19528	3.2
213.12831	2.2
217.19455	5.9
231.13921	4.5
243.25143	17.3
273.25803	20.0
282.00922	2.0
291.19876	3.3
291.26990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03941	4.4
55.01862	1.3
55.05517	18.2
57.07076	2.4
65.03932	1.7
67.05509	34.9
67.05878	1.9
69.06726	1.3
69.07073	18.0
70.26259	1.0
71.39571	1.6
79.05499	65.4
81.07064	51.6
83.04992	1.2
83.08620	8.6
85.06544	3.7
91.05488	27.1
91.53601	0.9
93.07052	100.0
95.04955	5.0
95.08617	32.8
97.06515	3.5
97.10168	3.7
98.07829	1.1
105.04520	2.0
105.07030	18.2
107.08603	54.1
109.06502	1.8
109.10162	13.6
109.40440	1.0
111.08087	2.0
112.35766	0.9
115.07561	1.3
117.07028	3.1
119.08595	15.9
121.06541	1.2
121.10153	44.5
121.11034	2.2
123.04433	1.9
123.08060	2.7
123.11730	3.7
125.09612	1.2
129.07022	1.8
131.08563	7.5
133.07608	0.9
133.10138	14.1
135.08087	1.6
135.11702	52.6
137.09615	2.1
139.03903	3.1
143.08572	3.9
145.10115	5.7
147.08041	1.2
147.11713	10.1
149.09628	3.1
149.13274	32.8
151.11261	1.3
156.48015	1.0
157.10172	2.7
159.11684	6.4
161.09669	1.3
161.13237	7.7
163.11211	3.7
163.14816	11.5
165.12762	1.2
168.49399	0.9
171.11641	3.1
173.13248	3.3
175.11243	2.4
175.14853	4.5
177.12761	2.7
178.40109	1.2
185.13306	3.5
189.12845	1.9
199.14851	2.8
203.14276	2.3
209.15388	1.2
213.16302	2.8
217.19595	2.8
221.15520	1.4
223.17166	1.3
229.63025	1.0
231.17494	2.4
231.21111	1.3
235.16925	1.4
241.19554	5.5
249.18542	3.6
259.20612	9.8
291.23239	62.7
292.23770	1.1
307.62164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	2.5
53.04786	1.8
54.79363	1.7
55.01867	4.4
55.05513	13.5
57.03436	2.9
57.07060	5.4
59.04981	3.1
63.17682	1.4
65.03929	2.1
66.49653	1.5
67.05508	16.2
69.03426	5.4
69.07071	9.4
69.75206	1.4
69.91377	7.8
70.06576	2.1
71.04995	7.0
71.75215	1.5
72.30474	1.5
79.05492	18.6
79.77864	1.6
81.03397	5.8
81.07059	26.4
83.04993	9.7
83.08618	7.1
85.06548	5.5
91.05482	16.4
93.07050	28.0
95.04973	11.4
95.08616	28.6
97.06534	7.1
97.10126	2.3
98.21424	1.7
99.04453	3.0
105.04461	1.8
105.07041	26.1
107.04956	8.8
107.08604	24.4
109.06536	14.3
109.10152	12.8
111.04491	2.4
111.08074	29.5
117.07012	6.2
119.04920	4.3
119.08586	24.2
121.02805	2.2
121.06487	6.6
121.10148	19.8
122.07346	3.0
123.04448	24.6
123.08073	39.3
123.11694	4.8
125.09615	2.7
127.07488	1.9
128.06218	3.0
129.07025	4.7
130.07820	1.6
131.08574	15.5
133.06541	7.9
133.10143	15.6
135.08092	11.9
135.11725	8.9
137.05980	1.9
137.09641	7.3
139.03906	31.8
139.07530	1.9
142.07732	2.9
143.08603	7.9
144.09306	2.6
145.10133	23.9
147.04431	12.0
147.08075	7.8
147.11707	12.2
149.09612	11.2
149.13269	4.3
151.07550	100.0
155.08574	2.7
155.10637	1.9
156.09398	4.0
157.10132	8.2
158.10948	2.1
159.08092	5.0
159.11691	9.6
161.05948	4.0
161.09656	9.3
161.13275	6.4
163.11186	8.5
163.14798	2.3
164.12785	1.7
165.05533	4.3
165.09073	2.6
169.10060	2.6
171.11777	7.8
173.09595	1.9
173.13309	10.0
174.10429	3.2
175.11157	8.7
177.05370	1.7
177.09137	2.2
177.12679	2.1
179.10686	6.9
183.11716	2.5
185.13269	6.0
187.11221	4.8
187.14806	3.6
189.09129	2.7
189.12735	30.4
191.10545	2.1
191.14330	7.7
192.11435	4.8
197.11745	14.4
197.13286	3.4
199.11223	3.9
201.12823	1.9
203.10501	3.8
203.14229	3.9
205.12331	2.5
207.06500	2.1
207.13823	64.9
213.16441	4.5
215.14345	6.1
217.12366	3.7
217.15904	3.5
227.18263	2.3
229.23630	4.8
231.08015	3.5
231.13840	5.6
231.17401	2.5
233.15343	15.5
235.13373	2.2
245.19057	5.3
248.08160	1.9
255.17439	4.3
264.06519	5.0
273.15167	3.3
273.18494	21.7
282.60403	3.2
291.09958	6.5
291.15936	7.3
291.19562	59.2
291.23129	7.4
291.26987	14.2
292.06027	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03938	1.9
55.01870	3.1
55.05266	0.7
55.05516	11.1
56.24730	0.4
57.03429	1.3
57.07065	0.8
58.45732	0.4
59.04966	0.7
61.73911	0.5
65.03942	1.1
65.62446	0.5
67.05176	0.7
67.05511	9.3
69.03426	1.7
69.07076	6.8
70.89211	0.4
71.04980	1.5
71.08700	0.6
71.37667	0.9
73.06576	0.5
79.05499	12.2
81.03418	1.6
81.07065	13.0
83.04974	2.2
83.08630	5.1
85.06530	1.5
85.37144	0.4
91.05487	11.2
93.07053	10.5
95.04977	5.5
95.08614	8.0
97.06548	1.7
97.10172	5.6
98.98485	0.7
99.04459	0.7
101.09686	0.5
103.05489	0.8
105.03394	0.9
105.06392	0.4
105.07035	10.3
107.04955	5.6
107.08603	7.7
109.06533	2.1
109.10162	4.4
111.04425	0.5
111.08072	0.8
111.11679	0.6
115.05433	1.4
117.07014	4.7
119.04947	2.5
119.08588	11.1
120.05735	0.6
121.06520	3.5
121.10150	5.3
123.04421	4.8
123.08076	1.9
123.11705	1.8
125.09624	3.5
128.06194	0.8
129.07001	3.5
130.07777	0.5
131.04948	0.5
131.08586	4.9
133.06509	3.4
133.10150	3.8
134.07283	0.9
135.08057	2.5
135.11649	2.5
137.06033	0.5
137.09610	1.1
139.03902	5.8
141.07059	0.6
142.07811	0.8
143.04948	0.6
143.08562	3.8
145.06458	1.6
145.10146	6.2
147.04411	2.1
147.08054	7.3
147.11702	2.2
149.09657	2.3
149.13280	1.4
151.07510	0.7
151.11188	0.6
153.09071	0.6
155.08562	1.0
157.10135	2.9
159.08058	1.1
159.11697	2.2
161.09657	2.2
161.13263	1.1
162.10475	1.0
163.11209	1.8
165.05484	1.4
165.06985	0.6
165.09158	0.8
165.12662	0.8
169.10162	1.2
171.08037	0.7
171.11685	1.7
173.13365	0.9
175.11203	1.8
177.12813	0.6
179.07062	0.6
179.10706	0.5
181.10143	0.6
183.11722	1.2
185.09698	0.5
185.13280	2.0
187.14876	1.6
189.09343	0.6
189.11234	1.7
189.12747	1.2
193.10146	1.2
195.11594	0.6
199.14813	0.5
203.10670	0.9
203.14388	0.8
205.10240	0.6
205.15877	0.5
207.11684	0.6
207.13718	0.7
213.12791	0.7
213.16386	1.6
217.12318	0.6
217.15860	0.6
219.11708	0.5
222.58408	0.5
223.13309	2.1
227.14357	0.8
227.17987	1.2
230.10805	0.6
231.13844	1.0
231.17392	0.7
245.13321	0.8
245.15474	0.7
245.19032	3.1
249.14818	3.3
255.17473	1.3
262.15564	0.9
263.05872	1.2
273.18546	9.6
273.21780	0.8
282.60486	1.0
291.19568	100.0
292.19809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.01622	1.8
52.40637	1.5
53.03939	6.1
55.01873	21.5
55.05515	24.5
55.56852	1.9
57.03445	14.3
57.07071	4.1
65.03935	5.8
65.67307	1.7
67.05511	82.0
69.03442	8.8
69.07071	23.3
71.04991	4.9
71.12161	2.7
72.21434	1.5
79.05064	3.2
79.05499	53.4
81.03406	4.0
81.07062	56.6
83.04990	23.7
83.08637	8.3
85.06542	6.0
85.49135	1.5
91.05484	43.2
93.07054	47.4
95.04975	100.0
95.08612	43.9
97.02892	1.7
97.06520	11.4
97.10165	4.8
99.04436	2.4
99.08102	1.9
100.27349	1.7
103.05484	1.6
105.04520	2.5
105.06385	3.1
105.07040	43.9
107.04964	28.5
107.08600	44.1
108.08880	1.5
109.06531	65.2
109.10157	21.5
111.04444	8.7
111.08090	8.1
113.09647	2.5
115.05436	4.2
116.06255	2.8
117.07030	14.2
119.04899	2.7
119.08581	25.3
121.06517	15.2
121.10152	20.0
123.04462	17.7
123.08081	8.5
123.11723	17.5
125.09630	4.6
128.06207	3.0
128.34528	1.6
129.06984	11.3
130.07771	3.0
131.08575	23.9
133.06483	7.1
133.10147	16.7
135.08061	94.7
135.11696	17.0
137.05972	5.4
137.09604	8.8
137.13234	3.2
138.60379	2.1
139.03906	19.1
141.07008	3.3
142.07758	2.4
143.08566	17.3
145.10141	19.1
147.04408	5.9
147.08087	10.0
147.11739	8.7
149.09604	15.7
149.13268	10.3
151.11156	3.1
153.05458	2.5
153.09079	2.0
155.08560	2.5
157.10168	10.9
159.08035	4.9
159.11690	14.1
161.09637	12.3
161.13252	6.5
163.11215	8.3
163.14894	3.0
165.05469	3.5
169.10146	4.1
171.11673	9.3
173.09688	2.6
173.13254	5.1
175.11186	6.8
175.14833	7.2
177.09163	2.8
177.12729	6.3
177.14189	1.9
178.45836	1.9
181.10168	2.1
183.11731	3.5
185.09486	2.2
185.13271	6.6
187.11331	3.4
187.14847	1.9
189.09097	1.9
189.12711	4.3
189.16359	3.8
191.14293	2.3
192.09302	1.9
195.11749	3.8
195.13806	2.5
199.11162	2.4
199.14847	3.8
201.12718	2.6
203.10643	2.8
203.14291	3.5
205.12128	2.1
205.15997	2.4
213.16380	3.5
215.17888	1.8
217.15889	18.7
219.13824	2.0
227.14447	2.0
227.17876	5.3
229.19525	2.1
231.17444	3.4
237.16348	2.1
245.19095	8.0
255.17432	5.2
273.18555	41.1
273.21957	5.9
282.60333	2.6
291.13956	2.5
291.19553	57.1
291.23141	26.7
291.26883	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.50157	0.3
52.95282	0.3
53.03937	1.4
55.01875	2.5
55.05267	0.5
55.05513	8.4
56.88058	0.3
57.07070	0.4
57.27225	0.4
65.03940	0.4
67.05511	5.3
69.03419	1.4
69.07065	3.4
70.33009	1.0
71.04991	0.9
79.05495	8.1
81.03401	1.2
81.07059	7.5
83.04976	1.1
83.08620	4.2
91.04964	0.6
91.05482	7.3
93.07048	6.9
94.04177	0.5
95.04982	3.9
95.08601	3.5
97.02791	0.4
97.06547	0.7
97.10163	3.7
98.21397	0.5
98.98552	0.4
103.05455	0.7
105.07032	8.4
107.04958	3.3
107.08601	3.6
108.05735	0.6
109.06496	0.6
109.10144	1.2
111.08062	0.5
115.05436	0.9
117.07029	3.4
119.04941	2.5
119.08585	6.7
120.05734	0.5
121.06535	2.3
121.10141	1.2
123.04429	4.8
123.08089	0.9
125.09638	1.9
128.06238	0.7
129.07045	2.2
130.07753	0.8
131.08580	4.3
133.06490	3.8
133.10110	1.7
134.07265	1.3
135.08043	1.5
135.11731	0.7
137.05989	0.4
137.09653	0.5
139.03893	5.9
143.08540	2.5
145.06462	0.7
145.10139	3.2
147.04431	1.2
147.08061	4.7
147.11687	0.8
149.09615	1.4
151.11272	0.4
156.23404	0.4
157.10190	1.8
159.08006	0.5
159.11713	0.8
161.06035	0.5
161.09630	1.3
162.10428	1.5
162.12622	0.4
163.11148	1.0
165.05498	0.5
165.09190	0.5
167.08583	0.5
171.11696	0.9
175.11201	1.4
183.11653	0.4
185.13272	0.8
189.11189	0.7
189.12788	0.5
195.11746	0.7
205.12209	0.4
207.06523	0.5
207.11479	0.4
213.12627	0.4
223.13330	0.8
245.19191	0.7
249.14922	1.9
249.18507	0.9
255.17381	0.7
261.14758	0.5
273.18484	4.2
282.60376	0.7
291.19550	100.0
292.20059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01081	0.5
69.99998	0.8
70.00388	1.1
145.03514	0.6
147.05038	1.6
155.01970	0.6
176.30057	0.5
189.06110	1.0
201.06151	1.5
221.04935	0.5
257.79999	0.4
291.10532	100.0
292.10989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1592
Annotation	15-Acetoxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
53.03955	10.8
55.01865	13.0
55.05518	26.0
57.03426	3.8
57.07071	10.6
59.07280	3.9
65.03935	5.5
67.05511	42.4
69.03438	10.1
69.07072	33.7
69.45325	23.5
69.45728	8.3
71.04996	7.9
79.05499	44.5
81.03412	5.9
81.07068	73.9
83.04972	16.9
83.08627	20.2
85.06562	6.0
91.05483	67.3
93.07049	67.3
94.95451	4.7
95.04971	21.4
95.08616	61.1
97.06543	7.7
97.10191	4.4
103.05453	5.2
105.07035	87.1
107.04948	13.9
107.08610	58.3
109.06523	13.4
109.10162	33.9
111.04485	8.2
111.08093	9.7
115.05435	13.5
117.07033	43.6
119.04958	8.1
119.08583	65.6
121.05770	3.9
121.06471	19.5
121.10161	37.3
123.04459	42.1
123.08096	10.9
123.11689	20.7
125.05923	4.4
125.09669	5.7
128.06241	15.8
129.07016	36.6
129.52795	4.7
130.07753	6.9
131.08586	78.2
133.06502	12.6
133.10149	39.2
135.08038	27.9
135.11737	25.9
137.05998	5.3
137.09656	5.9
139.03914	62.7
139.07552	7.3
141.06967	6.3
142.07799	24.4
143.08565	72.0
144.09326	8.4
145.06502	7.5
145.10118	61.3
147.04422	15.9
147.08063	18.0
147.11693	13.3
149.06015	10.3
149.09627	10.5
149.13271	27.0
151.07553	18.9
155.08611	9.1
156.09384	8.4
157.10161	54.0
159.11703	55.2
161.05988	9.7
161.09637	19.1
161.13289	12.1
163.07578	10.7
163.11171	5.2
163.14856	26.7
164.82181	4.2
165.05495	14.2
165.06834	5.5
169.10136	8.5
170.10918	16.9
171.08061	9.8
171.11734	17.1
173.13310	6.9
175.07578	21.7
175.11263	14.4
175.13162	4.6
175.14810	12.1
179.08568	8.2
179.10722	5.2
180.09377	6.0
183.11766	7.6
185.09633	7.4
185.13289	100.0
187.11230	7.2
187.14816	17.2
189.09154	12.8
189.12753	7.7
195.11748	13.3
199.14853	5.4
203.14363	29.5
207.11713	9.0
213.12796	29.8
227.17960	6.6
231.13791	75.4
231.17365	5.2
235.11299	6.8
245.18965	12.0
245.22816	5.2
249.14862	7.7
255.17352	5.1
273.15512	4.2
273.18503	32.4
273.21744	9.9
276.15167	5.9
282.60553	8.2
291.10419	6.8
291.13339	6.6
291.17056	18.8
291.19626	86.8
291.23206	18.7
291.26782	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	291.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31070	0.5
55.01861	1.1
55.56662	0.5
67.05517	1.1
69.03418	1.0
71.01347	0.4
71.36435	0.9
79.05507	0.7
81.03419	0.8
81.07039	1.2
83.04971	0.7
91.05479	2.7
93.07045	1.2
93.56483	0.6
95.04946	1.4
95.08603	1.3
103.96503	0.5
105.07009	1.8
107.04956	1.0
107.08610	0.9
109.06501	0.8
111.04443	0.7
115.05458	2.3
117.06998	1.4
119.04924	1.6
119.08574	1.2
121.06509	0.4
121.10162	0.8
123.04441	11.9
123.08048	0.6
128.06230	7.2
129.07016	3.7
131.04915	1.4
131.08572	1.7
133.06477	0.6
133.10152	0.9
135.04410	1.0
135.11661	0.5
137.05991	2.3
139.03903	17.0
141.06969	3.9
143.04901	0.8
143.08578	4.5
145.06482	1.7
147.04401	4.6
147.08067	1.0
151.03896	1.5
152.06186	2.8
153.07024	5.3
155.04880	1.0
155.06041	1.1
157.06532	4.5
157.10066	0.5
159.04381	0.7
159.08070	1.7
160.05177	0.9
161.05962	2.7
163.03900	1.0
163.05298	0.6
165.05490	3.0
165.06911	0.6
165.09201	1.0
167.05009	0.5
168.05702	0.9
169.06482	2.8
170.07254	0.5
171.04472	1.0
171.08075	10.0
173.06000	2.6
173.13434	0.4
174.06743	1.1
175.03973	0.6
175.05382	0.5
175.07516	4.0
177.05598	0.6
177.07016	1.3
179.03459	2.3
181.04990	1.1
181.06462	10.2
183.04460	0.8
184.05209	1.8
184.06737	0.5
185.05992	2.9
186.06764	0.7
187.07556	2.8
189.05426	1.4
189.09175	1.5
192.56487	1.6
197.05966	2.1
198.06851	0.9
199.03970	0.9
199.07559	8.2
200.79431	0.5
201.05518	2.3
201.57040	2.0
202.06189	1.0
203.04939	1.8
203.07025	7.1
203.08809	0.9
205.04849	0.8
205.06503	2.2
207.04686	0.7
207.06554	1.7
209.05943	3.7
213.05492	2.3
214.06258	0.7
215.07066	2.3
216.07843	0.7
216.95557	0.5
217.08612	1.2
220.09009	0.6
221.08087	0.7
225.05348	0.6
226.06134	0.6
227.07021	5.1
229.04935	1.3
230.05708	0.9
231.04361	1.3
231.06602	1.6
232.05116	1.0
233.05983	52.7
234.06293	1.4
237.05438	1.0
244.07146	0.7
245.08037	3.0
249.05496	2.2
249.07814	1.2
252.59360	0.6
255.06407	1.6
261.05481	100.0
262.05869	1.7
266.59070	0.9
273.07547	2.1
273.10855	0.6
273.14963	0.6
273.18414	0.9
275.09198	0.7
282.60492	4.6
291.06335	36.7
291.08707	57.0
291.15454	1.6
291.19437	1.2
292.06573	1.1
292.09421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01870	1.2
55.46046	0.3
65.03938	0.7
67.05505	1.7
68.99808	1.9
69.03432	0.4
69.74187	2.1
75.47926	0.4
76.69336	0.3
77.03925	0.5
81.03408	0.6
83.04993	1.1
91.05494	2.3
93.03391	0.8
95.04977	3.2
97.02880	0.8
105.03400	0.4
105.07067	0.4
111.04469	3.1
115.05465	1.2
119.04937	6.2
123.04434	66.2
124.04726	0.5
127.03906	1.1
131.04880	0.5
133.06508	1.0
137.02377	1.2
139.03908	100.0
140.04254	1.1
141.18832	0.4
143.04910	3.5
147.04416	21.8
151.03935	2.3
151.07578	0.5
153.05489	0.6
160.93613	0.4
161.05991	7.5
163.02638	0.4
163.03886	2.1
163.07483	0.3
165.05484	14.9
169.04997	1.7
169.87321	0.3
177.05510	1.3
179.07042	3.3
179.34012	0.4
181.04962	0.6
189.05501	2.3
207.06528	7.0
231.06680	0.4
243.94096	0.4
249.07541	1.3
273.07620	1.6
291.08612	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02387	0.4
54.05055	0.4
55.01873	1.9
65.03941	0.9
66.32085	0.4
67.05507	1.4
68.99794	1.6
69.03422	0.5
70.06591	0.4
77.03927	0.6
81.03384	0.4
83.04992	1.2
91.05493	1.9
93.03407	1.4
95.04969	3.6
97.02926	0.6
105.03374	1.1
110.66534	0.4
111.04458	3.7
115.05447	1.4
119.04930	5.7
121.02850	0.6
123.04431	66.2
124.04755	0.6
127.03902	1.6
131.04880	0.4
133.06461	0.9
135.04440	0.6
137.02336	1.0
137.05991	1.1
139.03905	100.0
140.04265	0.9
142.96490	0.4
143.04938	3.5
147.04411	22.9
151.03908	2.8
153.05492	0.6
159.04507	0.4
161.05994	8.9
163.03941	2.2
163.07504	0.4
165.05475	14.6
169.04953	1.2
173.41296	0.4
177.05440	1.1
179.03285	0.4
179.07019	2.8
179.47742	0.3
181.04988	0.9
189.05464	2.0
205.08598	0.6
207.06520	6.9
249.07542	1.3
273.07550	1.2
291.05542	0.7
291.08591	4.5
291.13385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02383	0.5
52.63925	0.5
53.03940	0.6
55.01885	2.0
60.83382	0.4
64.02180	0.4
64.12016	0.4
65.03940	0.8
67.05511	1.5
68.99787	2.8
69.03413	0.4
70.86520	1.2
81.98483	0.4
83.04991	1.4
89.95328	0.4
91.05468	2.8
93.03414	0.9
95.04967	2.9
97.02911	0.6
105.03401	1.1
107.04967	0.6
107.73915	0.4
111.00786	0.4
111.04433	3.6
115.05466	1.5
119.04958	5.6
121.02898	0.7
123.04435	71.2
127.03904	1.2
131.04843	0.4
133.06445	0.9
137.02356	1.1
137.05946	0.5
139.03908	100.0
140.04317	0.6
143.04922	3.2
147.04419	23.8
151.03929	2.6
151.07550	0.6
153.05490	1.0
159.04456	0.6
161.05992	9.1
163.03914	1.4
165.05481	15.2
169.05008	1.2
177.05487	0.8
177.93636	0.4
179.07022	3.6
181.04984	0.8
189.05490	1.7
207.06526	7.1
208.43085	0.4
223.95969	0.5
249.07556	1.0
273.07541	1.2
291.08679	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03977	0.4
55.01876	0.8
62.78786	0.4
65.03942	1.0
66.38947	0.4
67.05510	1.8
68.99788	1.3
69.01283	0.4
69.90455	0.5
70.00224	1.9
70.00626	0.9
71.59396	0.4
81.03448	0.5
83.04983	1.0
85.02896	0.5
89.44344	0.4
91.05498	1.8
93.03407	0.8
95.04981	3.6
105.03429	0.6
105.07060	0.5
111.00816	0.5
111.04449	2.5
115.05485	0.9
119.04954	6.4
123.04437	66.6
124.04780	0.7
127.03915	0.9
133.06511	1.1
135.04449	0.5
137.02338	0.8
137.05942	0.7
139.03912	100.0
140.04245	0.4
143.04939	2.7
147.04419	20.7
151.03914	2.6
153.05453	0.7
161.06007	7.6
163.03923	1.5
165.05487	13.7
169.04980	1.7
177.05556	1.1
179.07071	3.2
181.05025	1.1
189.05457	1.8
207.06538	6.0
209.47652	0.4
231.06525	0.5
249.07628	1.5
273.07596	1.8
291.08646	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	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07421	0.3
55.01872	1.5
62.94798	0.3
65.03933	1.1
67.01878	0.3
67.05499	1.4
68.99784	1.5
71.34535	0.7
81.16955	0.3
82.20357	0.3
83.04985	1.0
85.02919	0.7
91.05482	1.4
93.03410	1.3
95.04972	3.4
97.02889	0.7
105.03397	0.5
105.07045	0.6
111.04461	3.1
115.05441	1.0
119.04953	5.8
123.04439	59.0
124.04744	0.3
127.03925	1.2
129.05476	2.5
133.06482	0.7
135.04440	0.6
137.02382	1.0
139.03912	100.0
140.04271	1.0
143.04921	2.6
147.04420	20.7
149.05997	0.4
151.03899	2.8
151.07542	0.6
153.05492	0.7
159.04379	0.4
161.05997	7.2
163.03934	1.8
163.07671	0.4
165.05489	13.5
169.04959	1.6
177.05504	0.6
179.07033	2.4
181.04959	1.0
189.05464	1.7
203.07085	0.6
207.06563	6.3
231.06583	0.5
249.07625	1.3
255.06549	0.4
273.07657	1.8
291.08640	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	291.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.1
55.05508	4.6
56.96570	17.2
57.03429	4.5
58.06605	7.8
59.05006	13.3
61.02911	3.4
65.03927	2.5
67.05514	3.0
69.03132	1.5
69.03436	17.4
70.06589	7.9
71.04991	2.4
72.08149	3.7
73.02895	4.5
73.06535	1.7
79.05500	1.9
81.03405	6.1
83.01328	1.6
83.04942	3.2
84.04492	2.9
84.08118	2.1
84.96046	7.5
85.02911	27.5
87.04452	4.2
88.04034	1.7
89.62802	1.6
93.03394	1.4
95.01308	1.5
95.04955	6.1
95.08598	2.4
97.02885	21.3
98.97590	50.1
99.04434	3.1
101.00861	4.7
101.02361	1.7
103.02456	1.6
105.07018	1.8
107.04913	2.5
109.02933	3.0
110.07137	2.6
110.97552	4.4
111.04465	7.7
112.07610	2.5
115.05482	2.0
116.07079	4.0
116.98624	21.6
119.01941	7.5
119.04946	5.3
123.04440	60.9
124.99139	2.8
127.02414	1.9
127.03942	9.4
128.98608	8.8
129.05482	8.4
129.06587	17.6
130.08621	4.9
131.00221	1.8
131.01888	4.8
133.05167	1.8
134.95940	1.4
134.99635	7.9
135.04375	2.1
137.05966	6.2
139.03914	100.0
140.04288	2.7
141.05476	3.3
143.00180	6.2
143.01880	4.6
143.04842	2.0
144.13809	3.2
145.01677	2.6
145.03447	3.9
145.05002	3.0
146.99648	4.4
147.03294	1.9
147.04338	16.7
147.05576	2.2
151.03842	2.9
154.04918	1.6
155.01901	2.3
155.04637	1.9
157.03453	1.5
158.99686	12.3
161.01271	8.1
161.02937	8.0
161.05887	6.9
162.99150	2.3
163.02646	1.8
163.03911	2.5
164.07001	2.1
165.04240	2.1
165.05467	10.7
169.04965	10.3
171.04976	2.1
171.07639	5.4
173.02969	4.6
173.06488	2.4
176.07289	1.5
177.00734	15.3
178.08775	1.9
179.07060	2.7
180.56035	3.0
185.02950	1.8
187.04607	1.6
187.06017	9.4
189.00758	2.6
189.02556	2.7
189.04271	3.1
189.05919	1.8
201.06013	2.4
203.04030	2.3
205.07123	3.3
207.06502	4.3
219.01794	6.0
221.05074	2.7
223.01204	4.0
237.02788	10.5
237.08681	1.6
261.06628	1.5
267.00406	1.6
273.07962	3.1
275.09940	1.8
291.08325	14.4
291.13364	4.9
291.19125	2.2
293.10916	1.6
309.08609	14.3
312.60495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03940	2.5
53.11843	1.7
55.01885	1.9
55.05519	12.5
55.97393	1.8
57.03429	8.6
57.07062	8.5
58.76239	1.7
59.04981	3.7
67.05517	13.7
69.03414	2.0
69.07054	8.4
70.92453	4.2
71.04993	2.1
72.84592	1.8
74.06075	4.4
79.05487	17.1
81.07060	31.1
83.04976	6.0
83.08602	6.3
85.06535	6.4
88.07643	14.2
89.07956	4.3
91.05480	17.2
93.07060	17.1
95.05019	3.9
95.08619	12.9
97.10199	2.5
103.05470	2.1
105.07036	51.2
106.08633	4.3
107.04961	4.2
107.08544	10.8
109.06533	5.2
109.10149	4.8
116.06312	1.8
117.07047	15.4
119.08588	26.2
121.06498	6.3
121.10139	8.2
123.04457	3.1
127.37747	1.9
128.06218	6.3
129.06996	8.0
131.08571	20.7
133.06487	2.4
133.10153	16.2
135.04428	1.9
135.08087	9.8
135.11652	2.2
137.09558	3.5
138.97165	1.9
141.07001	5.1
142.07787	8.9
143.08566	21.9
144.09396	2.5
145.06473	6.2
145.10121	20.7
147.08040	5.7
147.11703	6.8
154.07785	3.6
155.08568	7.4
156.09351	6.5
157.10144	27.1
158.10971	2.8
159.08067	24.5
159.11707	74.8
160.08826	4.4
161.09616	5.0
161.13284	17.4
163.07613	2.4
168.09441	3.6
169.10110	25.6
170.10902	1.8
171.11729	18.3
173.09627	7.9
173.13248	4.4
175.07503	3.8
175.11200	7.9
183.11739	15.3
185.13258	14.0
187.11206	22.6
187.14828	3.7
189.12761	3.2
191.10646	6.7
195.11734	3.9
197.09599	9.6
197.13248	2.7
201.09126	2.8
201.12747	2.9
210.13953	2.9
211.14812	3.7
213.12813	5.4
215.10686	23.8
215.14371	2.5
215.17952	2.4
225.16380	24.8
227.17969	6.6
229.12230	3.6
231.13759	3.1
233.11765	21.6
233.15428	8.0
242.24681	4.7
243.17508	12.1
243.25180	5.1
247.16869	2.2
253.15913	10.8
261.18814	2.1
271.16968	38.1
271.20187	2.7
289.06174	2.6
289.18018	100.0
289.21481	5.8
289.25620	19.4
289.29288	12.1
290.26868	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03981	0.9
56.22281	1.0
56.96571	1.0
58.85040	0.8
63.15246	0.9
64.77715	1.0
69.03440	1.9
70.04012	0.9
70.06622	1.5
71.56660	1.5
78.63884	1.0
79.34980	0.9
80.22935	1.2
81.03416	1.1
84.08212	1.2
85.02925	3.1
97.02909	1.7
98.97610	2.4
101.00906	2.4
101.57679	0.9
105.26755	0.9
118.19431	0.9
118.28292	1.0
119.01940	3.5
122.45918	1.0
123.04407	6.4
127.03963	1.7
129.03996	1.5
131.01962	3.4
139.03917	11.9
143.01944	1.4
145.03488	2.4
147.05196	5.1
149.93147	0.9
150.52347	1.0
155.01912	1.3
157.03468	1.3
161.03001	1.9
165.05739	0.9
171.05048	1.4
173.03001	2.2
183.05119	1.4
185.03008	1.1
185.06580	1.7
189.06145	3.6
201.06093	5.4
203.04106	1.1
213.06560	1.3
214.30717	1.0
221.05193	1.8
225.06100	1.3
231.07164	1.7
231.13849	1.1
273.08411	1.0
291.10602	100.0
309.10590	1.3
313.21445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1801
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
54.30988	1.6
55.01871	3.7
55.05519	10.3
57.03395	1.8
57.07062	6.6
59.05002	3.5
65.03953	2.1
67.05503	13.6
68.45089	1.6
69.03399	1.6
69.07066	9.8
71.11183	3.8
77.21114	1.6
79.05499	19.1
81.06579	3.4
81.07060	63.2
83.04984	10.0
83.08622	4.3
85.06528	6.3
88.97403	1.9
91.05486	24.3
93.07050	31.9
95.04962	8.5
95.08611	25.9
97.06532	5.9
99.04447	2.1
105.07034	58.5
107.04948	7.3
107.08602	22.4
109.06500	4.8
109.10165	14.6
111.04451	4.4
115.05472	1.8
117.06997	13.0
119.08595	33.4
119.38238	1.7
121.06498	5.2
121.10161	18.2
123.04425	6.3
123.08044	5.2
123.11735	4.9
125.09597	3.0
127.03893	3.4
128.06215	6.1
129.07021	13.9
130.07832	2.5
131.08565	28.0
133.06494	2.8
133.10141	18.5
134.23178	2.1
135.00270	1.8
135.04407	15.1
135.07996	4.2
135.11713	7.0
137.05923	2.1
137.09682	2.5
139.03851	8.9
141.06963	7.7
142.07768	7.6
143.08574	23.6
144.09396	5.3
145.06456	4.3
145.10124	35.7
147.08032	4.3
147.11687	16.4
149.09619	4.5
149.13260	5.2
151.03909	2.6
151.07507	2.3
154.07768	4.5
155.08534	10.4
156.09331	9.0
157.10141	26.7
158.10951	4.4
159.08076	6.8
159.11703	100.0
160.12222	2.7
161.09651	3.7
161.13254	13.2
163.03931	3.9
163.11166	6.5
168.09325	4.9
169.10126	19.1
170.10953	2.3
171.11696	20.0
173.09593	8.0
173.13271	9.4
175.07504	3.2
175.11168	4.6
175.14787	5.0
177.09102	2.5
177.12747	2.1
182.07306	1.9
182.10829	2.1
183.11700	14.3
184.12370	1.7
185.13255	16.0
187.07576	2.3
187.11180	18.4
187.14803	8.6
189.12685	4.8
189.16391	5.3
191.10675	13.7
195.11732	2.4
197.09656	9.2
197.13255	8.9
199.14854	4.0
201.09073	2.9
201.12709	4.2
201.16411	4.5
203.14311	6.3
205.12215	2.7
209.11652	2.7
211.11194	4.4
211.14809	4.6
213.12755	4.5
213.16304	2.6
215.10667	22.5
215.14285	7.4
215.17937	3.6
217.19705	1.9
219.14044	2.8
225.16408	17.3
226.17186	1.9
227.17975	10.6
229.12224	5.5
229.15866	4.0
229.19467	9.8
233.11711	19.0
233.15376	3.0
235.14723	2.9
243.17406	9.5
243.21109	10.1
253.15947	8.5
253.19458	5.7
256.25229	1.6
271.13968	3.3
271.16931	34.4
271.20557	41.1
271.23505	2.4
289.06613	4.2
289.12103	1.8
289.15201	2.8
289.18015	59.2
289.21591	70.9
289.24921	3.2
289.29001	9.2
308.39703	1.7
310.43930	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03942	1.2
62.78818	0.9
65.03944	5.6
67.05495	2.4
68.99779	4.7
69.03422	1.7
70.85335	3.0
79.05480	1.3
81.03413	1.8
83.04964	1.3
85.06543	1.1
89.03916	2.8
91.05486	2.2
93.03397	7.2
95.04976	3.8
96.17158	1.1
97.02901	1.3
103.05444	1.7
107.04961	13.8
109.02924	2.0
111.00793	0.9
111.03702	1.6
111.04449	22.9
117.03394	4.0
119.04962	1.8
121.02831	2.8
123.04437	51.6
127.03927	27.7
131.04906	1.2
131.08591	1.1
135.04424	100.0
137.02327	3.5
139.03912	38.6
139.04822	0.8
141.06981	2.8
145.06497	1.1
149.02353	30.5
149.05994	1.8
151.03917	15.8
153.01839	13.1
159.04424	4.1
163.03928	23.0
167.03448	1.2
169.06523	3.5
173.05963	2.8
177.05527	3.4
179.03343	2.4
185.05977	1.2
186.25751	1.0
187.03931	2.1
197.06001	6.1
201.05566	1.9
205.04965	1.2
213.05473	2.9
215.07054	24.5
225.05447	1.8
229.04987	1.2
230.17508	1.2
231.06531	4.4
232.88979	1.1
241.04968	1.5
243.04048	2.2
243.06541	32.4
247.06256	1.1
253.04953	1.6
259.06046	6.8
261.07635	5.8
271.06000	17.2
271.40192	1.1
272.12497	1.0
289.07098	17.4
289.15442	1.6
289.18228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03934	0.7
55.01865	0.7
57.03425	0.3
58.24839	0.2
61.02910	0.6
65.03933	1.1
65.04238	0.3
67.05498	0.8
68.91071	0.3
68.99790	0.7
69.03442	1.6
70.06608	0.3
71.04987	0.4
71.31332	0.2
71.31684	0.4
73.02923	0.3
79.05483	0.6
81.03420	1.1
81.04545	0.4
81.07053	0.3
84.08146	0.3
85.02913	4.5
89.03920	0.7
91.05497	0.7
93.03427	1.2
95.04969	0.7
97.02892	1.8
99.04446	0.6
107.04961	1.0
109.02878	1.8
111.00812	0.4
111.04449	4.4
116.86189	0.2
117.03392	0.5
121.02889	0.6
123.04447	9.1
127.03929	100.0
128.04237	0.7
131.04948	1.1
135.04430	17.3
137.02357	0.9
137.05882	0.3
139.03914	16.4
141.06963	0.3
141.16216	0.3
145.04971	0.7
145.06552	0.3
147.22458	0.3
149.02371	1.7
149.06003	0.6
151.03920	3.7
155.04904	0.4
157.06509	0.5
159.04449	1.0
161.06044	0.5
163.03940	6.2
163.89819	0.3
169.06520	0.5
173.06041	0.5
177.05544	0.7
179.03294	0.3
185.06003	0.7
186.02188	0.3
187.03922	0.7
197.06023	0.6
201.05510	0.3
205.05020	1.0
213.05527	0.4
215.07092	0.8
225.05548	0.5
229.04993	0.5
229.08687	0.3
231.06406	1.3
234.99103	0.3
243.04416	0.4
243.06694	0.8
250.97269	0.3
259.05997	1.6
261.07596	1.3
271.06088	2.8
289.07114	4.1
289.12119	0.9
289.15509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.071
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.91990	0.6
53.03948	0.8
55.05507	1.0
59.12583	0.6
62.43106	0.7
65.03954	5.9
67.05496	2.0
68.99789	4.0
69.03427	2.5
69.49697	4.7
69.83363	0.6
69.97511	0.6
71.04971	0.6
71.98331	0.6
72.08138	1.0
77.03920	0.8
79.05499	2.0
79.48081	0.6
81.03412	2.7
81.07034	0.8
83.04980	0.9
85.02906	0.9
85.06499	1.1
88.83831	0.6
89.03918	2.5
91.05502	0.8
93.03407	8.3
93.07056	0.9
93.68069	0.6
95.04984	3.0
96.23288	0.6
97.02891	0.7
99.04449	1.8
103.05495	1.1
105.03376	0.7
107.04965	5.5
109.02893	1.9
109.10169	1.0
111.00822	1.7
111.04456	20.3
116.19642	0.7
117.03393	3.9
117.07072	1.0
121.02885	1.7
123.04440	42.1
125.09642	2.4
127.03929	60.5
131.04944	4.8
135.04428	100.0
136.04768	0.6
137.02339	2.6
137.03351	0.7
139.03911	34.1
143.08556	0.7
149.02354	7.3
149.05965	3.0
150.03110	0.6
151.03914	18.3
152.04655	0.8
153.01793	1.1
155.04918	0.7
157.06445	1.4
159.04463	4.3
161.05981	2.9
163.03925	34.6
167.03378	0.8
169.06516	2.0
173.06059	2.2
177.05463	2.9
179.03479	2.8
185.06053	1.6
187.03937	4.1
188.67654	0.6
197.06003	3.5
201.05530	2.3
205.05063	2.0
211.08905	0.7
211.13322	1.3
212.48386	0.7
213.05499	1.9
215.07039	2.4
217.05038	0.8
225.05569	1.2
229.04965	1.8
231.06509	4.5
241.04944	1.2
243.06555	4.4
243.14725	0.9
247.06058	1.9
253.05121	0.9
259.06027	6.3
261.07623	6.2
271.06061	13.7
271.10657	1.1
289.07117	20.9
289.11914	2.7
289.15414	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	288.1594
Annotation	Dihydromorphine
Peak:m/z	Relative Intensity
51.89399	0.4
53.03958	0.8
55.05502	1.5
60.04502	0.8
63.70778	0.5
67.05496	2.1
68.05032	0.7
69.07067	1.0
71.56379	0.6
74.38291	0.6
79.05492	3.8
80.05858	0.5
81.07061	2.6
82.06526	0.6
83.04980	0.9
83.08642	0.5
87.86807	0.5
91.05482	6.5
91.76474	0.4
92.05820	0.6
93.07059	4.3
94.06587	1.0
94.07347	0.6
95.04955	1.1
95.08601	1.5
96.04517	0.6
96.08134	0.7
103.05450	1.1
105.07036	7.7
106.07323	0.8
107.04958	0.9
107.08585	3.0
108.08982	0.6
109.06493	0.5
109.10150	0.8
112.94257	0.5
113.93738	0.5
115.05414	1.5
117.07027	3.8
119.04968	0.5
119.08587	3.5
120.08094	0.7
120.08931	0.5
121.06478	1.4
121.07294	0.5
121.10129	1.0
121.64047	0.5
122.03183	0.6
122.09597	0.5
123.08024	0.6
123.19210	0.5
128.06194	2.1
129.07027	6.0
130.07683	0.5
131.08583	8.5
132.08075	0.6
133.06485	1.1
133.10121	1.7
135.08023	0.7
136.08440	0.7
138.09181	0.6
141.07002	4.2
142.07835	2.5
143.08542	5.0
144.09090	0.5
145.06471	1.0
145.10107	6.1
146.10526	0.8
147.08067	1.1
147.11664	1.2
153.07010	2.8
155.08563	8.5
157.10133	5.8
158.10670	0.8
159.08086	2.4
159.11700	1.7
161.09668	0.6
163.07549	1.0
167.08475	1.2
167.14482	0.5
168.08067	0.7
168.09348	4.7
169.10114	0.8
171.08118	0.6
171.11647	1.3
172.11130	1.0
173.09602	1.9
173.13261	3.3
174.09096	0.6
174.12714	0.7
175.11180	0.9
178.07709	0.8
181.06438	0.8
181.10117	1.1
181.66579	0.5
183.11702	13.5
185.09610	0.9
185.13235	1.2
187.07585	0.9
187.11082	0.8
193.10139	2.0
199.11101	0.9
200.14415	1.0
201.12761	7.7
211.11198	3.1
228.13853	2.2
229.12241	6.5
242.15552	1.7
242.19846	0.9
246.14883	8.5
247.13255	0.7
260.16541	0.7
270.14932	1.1
270.19461	0.6
288.05811	7.5
288.09503	2.2
288.15948	100.0
288.20261	3.7
289.16251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Helicallenal
Peak:m/z	Relative Intensity
53.03930	3.7
55.01863	2.3
55.05518	11.1
56.79940	1.4
57.07064	3.9
67.05499	16.1
69.03426	2.6
69.07071	20.6
69.51722	2.6
69.52127	8.1
71.04976	2.3
71.08619	1.5
79.05072	1.6
79.05495	28.9
81.07061	100.0
83.04979	2.8
83.08617	7.5
85.10164	1.3
91.05482	14.8
93.06483	1.9
93.07047	33.9
95.04948	4.4
95.08060	1.9
95.08612	30.8
97.06524	3.1
97.10149	2.5
100.56599	1.4
105.07047	19.2
107.04932	5.0
107.08600	37.8
109.06521	14.6
109.10159	27.7
111.08051	5.5
115.05408	2.1
117.07016	3.4
119.08582	13.4
120.09313	1.4
121.02825	2.3
121.06493	7.0
121.10152	16.8
123.08054	4.2
123.11702	11.4
125.09656	14.5
128.06215	1.8
129.06978	4.5
131.08571	12.3
131.27356	1.2
133.10136	11.3
135.08046	5.0
135.11707	12.6
137.02280	1.7
137.09621	20.2
137.13261	1.9
142.07803	2.3
143.08534	6.2
145.10139	11.2
147.07982	2.4
147.11678	10.2
149.09628	6.8
149.13234	5.5
150.10420	3.8
151.11185	5.4
153.01810	3.6
157.10138	8.9
159.08060	2.0
159.11691	7.3
161.09621	4.3
161.13252	7.3
163.11185	31.4
163.14786	5.0
165.01886	2.4
165.06781	1.4
165.12775	1.3
171.11703	7.0
173.13278	7.4
175.11227	6.5
175.14841	4.2
177.12766	2.8
177.16414	8.0
181.09995	1.6
183.11693	2.3
185.13264	5.0
187.14833	5.7
189.16289	4.3
191.14304	5.3
199.14848	9.3
201.16440	4.5
203.12727	4.1
203.17812	1.7
205.16011	2.3
206.16705	7.2
213.16382	8.2
227.17853	3.4
229.19443	2.4
231.17456	14.6
241.19412	2.3
269.22607	10.0
273.70621	1.3
287.05499	34.0
287.12411	2.9
287.16599	5.3
287.20187	6.9
287.23676	78.9
288.23828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.93020	0.2
54.29927	0.2
55.01855	0.3
55.05499	0.2
65.03922	0.5
67.01849	0.4
68.99794	2.3
69.03419	0.4
70.70623	0.7
77.10144	0.2
77.89039	0.2
79.05499	1.1
81.03423	0.4
81.07047	0.6
91.05475	0.7
93.07024	0.5
95.04939	0.4
95.08586	0.7
103.05457	0.3
105.03403	1.1
105.07021	0.8
107.04946	1.7
108.05283	0.2
109.02871	0.7
109.10192	0.2
111.00820	1.6
111.04439	0.5
111.23433	0.2
117.07025	0.2
119.08598	0.7
121.02878	6.7
121.06488	0.2
121.10165	0.2
127.03936	0.3
129.06978	0.6
131.04868	0.3
133.02838	1.1
133.10152	0.3
135.04417	0.5
137.02341	2.3
137.05920	0.2
141.06987	0.4
143.08592	0.4
145.06488	0.8
145.10115	0.3
147.04390	1.4
153.01836	10.9
157.06529	1.2
157.10144	0.5
159.11671	0.5
161.05952	0.6
165.01839	3.3
171.04442	0.6
171.11678	0.3
183.02924	1.6
185.05991	1.2
185.09601	0.3
189.05507	0.3
195.07909	0.4
197.05945	0.3
199.11162	0.3
201.16364	0.3
203.06987	0.3
212.38956	0.2
213.05466	3.3
227.10542	0.3
228.10988	0.2
229.04893	0.3
231.06543	1.0
231.13876	0.3
241.05019	1.8
258.05234	2.5
259.06058	0.8
269.04404	0.4
269.15323	0.3
287.05505	100.0
287.23633	0.7
288.05811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01867	0.2
57.49333	0.1
65.03947	0.3
66.21149	0.1
67.01872	0.4
68.99791	2.4
69.03414	0.3
69.50775	0.6
71.01367	0.1
71.49928	0.1
79.01853	0.1
79.05491	0.8
81.03408	0.2
85.64025	0.1
91.05468	0.3
95.04993	0.4
97.02885	0.2
98.97565	0.1
102.34376	0.1
103.05470	0.3
105.03416	1.0
105.07014	0.1
107.04962	3.4
108.05299	1.2
109.02874	0.9
110.97588	0.1
111.00815	1.8
111.04439	0.3
114.17421	0.1
115.05480	0.4
116.05805	0.2
117.07021	0.3
119.04968	0.2
121.02875	7.2
121.03902	0.3
121.06519	0.3
124.07606	0.6
127.03919	0.2
128.06262	0.1
129.07033	0.4
131.04884	0.2
133.02855	1.1
134.06091	0.1
135.04425	0.4
135.08052	0.1
137.02347	2.3
137.05986	0.5
138.06360	0.2
139.05432	0.2
141.06955	0.2
143.04932	0.3
144.05273	0.4
145.02847	0.1
145.06543	0.8
146.05902	0.1
147.04427	1.6
149.02362	0.1
149.05965	0.1
151.03917	0.1
153.01837	11.5
154.02196	0.1
155.06082	0.1
157.06493	1.5
160.05295	0.1
161.02325	0.1
161.05956	0.4
162.05495	0.5
163.03860	0.1
163.06238	0.1
163.07550	0.2
164.07083	0.2
165.01846	3.7
166.07809	0.1
167.08582	0.4
169.06453	0.2
171.03026	0.2
171.04373	0.7
175.03902	0.3
175.07588	0.3
176.07870	0.1
179.03415	0.1
183.02910	1.4
183.04439	0.1
184.05099	0.1
185.05959	1.4
189.05486	0.3
195.08072	0.6
197.05956	0.4
199.03987	0.1
203.03365	0.2
203.07066	0.3
210.09973	0.2
212.04677	0.1
213.05478	3.4
216.04233	0.1
217.04922	0.1
223.07652	0.2
227.10677	0.6
229.04944	0.4
231.06511	1.6
238.09393	0.3
241.02649	0.2
241.04965	1.8
242.05818	0.2
243.06531	0.2
245.04443	0.2
255.10100	0.3
257.04544	0.2
258.05276	2.3
259.05981	0.9
269.04504	0.3
270.12015	0.9
287.05505	100.0
288.05817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58899	0.1
51.02356	0.1
51.27055	0.1
53.03935	0.2
55.01858	0.2
65.03947	0.5
67.01848	0.4
68.99443	0.2
68.99792	2.5
69.03421	0.2
69.55052	0.6
79.05492	0.6
81.03401	0.3
91.05470	0.1
93.03402	0.1
95.04971	0.3
97.02897	0.1
98.20741	0.2
98.85979	0.1
103.05472	0.2
103.17807	0.1
105.03385	0.8
105.07008	0.1
107.04961	1.5
109.02905	0.7
111.00809	1.6
111.04433	0.4
115.05427	0.2
115.06847	0.1
117.06970	0.1
119.04916	0.3
120.43582	0.1
121.02872	6.8
121.03838	0.2
121.06499	0.1
127.03940	0.3
128.06252	0.1
129.07033	0.4
131.04951	0.1
133.02847	0.9
135.04463	0.5
137.02345	2.5
141.06987	0.4
145.06462	0.5
147.04422	1.4
151.03918	0.2
153.01837	11.5
155.06047	0.2
157.06494	1.6
161.02449	0.1
161.06033	0.6
163.03798	0.1
165.01842	3.9
171.04373	0.7
175.03851	0.2
183.02913	1.7
185.05974	1.1
189.05464	0.2
194.02228	0.1
197.05969	0.2
199.03934	0.2
201.05424	0.1
203.03427	0.2
203.07092	0.3
212.04749	0.1
213.03462	0.2
213.05484	3.6
216.04289	0.2
217.04929	0.1
229.04929	0.5
231.06503	1.4
241.04977	1.6
241.08707	0.1
242.05685	0.2
243.06601	0.2
252.02190	0.1
258.05252	2.1
259.06027	0.8
269.04483	0.4
287.05502	100.0
288.05814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03936	0.3
56.81484	0.2
63.05996	0.2
65.03947	0.5
67.01871	0.4
68.99483	0.2
68.99799	2.4
71.17815	0.4
71.82383	0.2
79.05495	0.7
81.03414	0.3
85.30537	0.2
92.51178	0.2
103.05437	0.3
105.03384	0.9
107.04968	0.9
109.02876	0.7
111.00827	1.2
111.04461	0.3
115.05386	0.4
117.07051	0.2
121.01999	0.4
121.02875	6.7
121.03857	0.4
123.93050	0.2
128.06284	0.3
129.07004	0.3
133.02870	1.3
135.04448	0.3
137.02345	2.0
141.06970	0.3
145.06494	0.6
147.04439	1.5
153.01842	10.2
157.06496	1.4
161.06027	0.4
164.21634	0.2
164.58896	0.2
165.00522	0.3
165.01851	4.1
171.04453	0.6
183.02911	1.5
185.06038	1.1
189.05527	0.3
197.06027	0.3
203.07050	0.6
213.05493	3.1
229.04974	0.5
231.06570	1.5
234.53194	0.2
241.04970	1.6
258.05267	2.4
259.06073	0.8
269.04373	0.5
287.05515	100.0
288.05850	1.0
300.42966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01869	0.1
65.03933	0.3
67.01849	0.3
68.99434	0.2
68.99790	2.4
69.03421	0.3
69.86926	0.3
79.05490	0.5
80.12424	0.1
81.03397	0.3
91.05457	0.1
95.01371	0.1
95.04966	0.4
97.02872	0.1
103.05446	0.2
105.03390	0.9
107.04967	1.4
108.05303	0.1
109.02895	0.8
111.00819	1.4
111.04443	0.5
115.05452	0.2
117.07006	0.1
118.31049	0.1
119.04986	0.2
121.02872	7.1
121.03900	0.3
124.01702	0.1
127.03911	0.2
128.06244	0.1
129.07002	0.5
133.02837	0.8
133.06488	0.1
135.04462	0.5
137.02344	1.9
141.06987	0.2
143.04913	0.1
145.06538	0.6
147.04420	1.4
148.59406	0.1
151.03920	0.1
153.01833	10.3
154.02252	0.1
157.06491	1.2
160.05176	0.1
161.05968	0.4
163.03946	0.2
165.01842	3.6
169.06488	0.2
171.02945	0.1
171.04376	0.7
175.03917	0.2
179.03311	0.2
183.02905	1.7
184.05122	0.1
185.05971	1.3
189.05493	0.4
194.02191	0.1
197.05975	0.3
199.04080	0.1
201.05484	0.1
203.03392	0.2
203.07024	0.3
213.05470	3.1
216.04149	0.2
217.04909	0.1
218.05775	0.1
223.03928	0.1
229.04967	0.4
231.06467	1.3
241.04955	1.7
243.06448	0.1
245.04430	0.2
258.05249	2.3
259.05948	0.9
269.04489	0.4
287.05493	100.0
288.05789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05520	2.0
56.05027	1.1
56.96568	1.1
57.03445	1.8
57.07069	0.7
57.65650	0.5
59.05017	2.7
61.02933	5.3
63.46418	0.5
67.05501	0.6
68.05025	0.9
69.03434	2.3
70.06019	2.3
70.06604	1.8
71.04996	6.4
72.08172	0.5
73.02923	1.3
73.34969	0.5
79.05499	2.6
81.03416	0.6
81.04559	1.1
81.07061	12.3
82.05337	1.8
83.06114	9.4
85.02908	3.3
87.08124	1.3
93.04534	6.2
94.06574	0.6
95.06092	14.2
97.02888	2.4
97.07812	0.6
98.97597	2.7
106.06591	0.7
107.06084	2.5
109.02851	0.6
110.07171	100.0
111.05573	1.3
112.07635	0.7
112.08722	2.7
113.35503	0.6
116.98611	1.2
119.01899	0.7
119.06083	0.7
120.06851	0.7
121.07667	1.7
124.03967	1.5
124.07604	5.7
127.03954	0.6
138.05513	2.1
139.05028	0.8
143.01901	0.8
146.09651	0.9
155.01892	0.5
155.04671	2.0
156.07695	12.6
158.99686	1.5
160.03909	1.1
160.06615	0.7
161.02975	1.7
163.12311	50.7
164.05211	0.9
166.06149	2.2
166.08611	0.7
169.04425	1.5
174.46799	0.6
177.00684	0.8
185.09242	1.5
190.13416	8.0
193.13341	1.1
205.07257	1.4
208.14439	11.3
208.29005	0.5
209.12947	0.9
210.16164	0.8
212.15228	0.6
219.11334	2.1
227.06752	1.0
236.13927	8.8
237.02853	0.8
240.17056	8.1
241.06624	1.0
241.15450	0.8
254.15015	21.2
268.16498	0.9
286.17618	81.8
287.05612	2.1
287.11105	1.4
287.18048	0.8
291.07333	0.6
309.08557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03947	0.3
55.01870	0.3
65.03942	0.3
67.01856	0.4
68.99798	2.5
69.03416	0.2
70.37576	0.6
70.37922	0.1
71.01366	0.2
78.74596	0.2
79.05479	0.7
81.03397	0.2
88.72850	0.1
91.05503	0.2
95.04978	0.4
101.94184	0.1
102.08548	0.1
103.05490	0.3
105.03404	1.2
107.04968	2.3
108.05294	0.6
109.02872	0.8
111.00818	1.6
111.04427	0.4
115.05473	0.1
119.04919	0.2
121.02877	7.0
121.03817	0.3
121.06512	0.2
124.07608	0.3
127.03925	0.2
128.06264	0.2
129.06990	0.4
133.02855	1.1
135.04411	0.4
137.02344	2.2
137.05899	0.2
141.07002	0.3
145.06496	0.6
147.04427	1.5
153.01845	11.7
157.06493	1.7
161.06017	0.3
162.05493	0.3
165.01852	3.9
169.06503	0.2
171.03014	0.2
171.04420	0.6
175.07600	0.3
180.57254	0.2
183.02892	1.8
185.06003	1.4
189.05502	0.3
195.08057	0.2
197.06093	0.3
203.07057	0.5
213.05476	3.5
216.04216	0.2
225.99237	0.1
227.10693	0.1
229.05006	0.4
231.06590	1.2
241.04932	1.5
252.98576	0.2
258.05252	2.1
259.06012	0.6
269.04361	0.2
270.12119	0.4
287.05515	100.0
288.05844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
54.59224	0.6
55.01874	0.9
56.05032	2.7
57.03431	2.4
59.05001	1.2
61.02932	4.7
67.05497	1.3
67.43643	0.6
68.05035	2.6
68.48460	0.6
69.03432	6.6
69.89774	1.8
69.90176	1.4
70.06598	8.2
71.05000	6.6
72.08160	1.7
73.02911	2.1
80.05034	1.1
81.03409	2.0
82.06573	0.9
83.06129	0.8
84.04507	1.1
84.08146	1.3
85.02431	1.3
85.02914	20.5
85.06547	1.1
85.07674	2.4
86.06071	1.8
87.04479	0.9
89.06041	11.1
91.03950	1.3
94.06582	1.7
95.06112	1.6
96.04491	1.2
97.02901	6.7
98.06084	0.9
100.03986	4.3
101.00915	0.9
107.07071	10.5
109.02870	2.0
110.06042	1.3
110.07172	3.5
112.07620	3.6
112.08734	1.1
114.05553	5.9
116.07098	2.0
119.01914	2.6
121.02799	0.8
124.03964	100.0
124.07557	5.3
125.04306	0.9
126.07758	1.7
127.03940	3.5
129.05742	0.9
129.06575	4.5
130.05011	1.1
131.01906	1.6
131.04982	0.7
136.06276	0.8
137.05977	1.0
138.05511	54.8
139.03941	0.8
139.08617	0.8
140.07085	1.9
141.10207	1.9
143.01888	1.3
145.03584	0.7
145.04962	3.9
149.05978	1.3
151.07530	0.9
154.05009	0.9
154.07263	2.4
155.01880	1.2
156.06599	2.3
156.07895	0.9
157.03421	0.9
161.02954	1.8
164.07001	1.0
164.08264	2.0
173.02989	2.4
177.62396	0.7
178.08740	1.3
179.07149	0.8
185.02959	0.8
185.09238	46.9
187.00902	0.9
196.10843	1.7
199.04367	0.7
203.03975	1.0
205.06299	0.8
210.08755	1.6
240.09947	1.4
240.12302	1.0
247.03078	0.9
254.07805	0.9
258.14618	0.7
263.06299	1.1
268.12656	0.9
281.06885	0.9
286.09283	8.4
286.13474	14.7
286.17627	1.8
287.05548	3.7
289.03824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1441
Annotation	Carbazomycin D
Peak:m/z	Relative Intensity
55.01857	1.7
69.03418	1.5
69.28498	2.0
69.28912	7.8
69.32915	1.0
79.05494	3.3
81.07081	1.2
84.63072	1.0
91.05486	9.0
93.06966	0.9
94.04204	0.9
95.00497	0.9
95.04975	1.9
105.07052	7.3
107.04961	5.7
115.05450	5.1
117.07008	1.9
119.08574	1.2
122.03622	1.2
128.06224	7.7
129.07007	9.7
130.07780	1.6
131.08530	2.6
134.09639	1.0
137.05983	1.7
141.06993	6.0
142.07820	6.8
143.04932	2.5
143.08569	31.9
144.87411	1.1
145.06500	2.1
145.10114	2.9
147.04396	2.3
151.07555	1.9
152.06151	1.0
153.06969	3.5
154.07765	4.4
155.06111	1.0
155.08578	13.3
156.09358	13.1
157.06522	5.9
157.10135	8.7
157.56639	3.0
159.04491	1.0
161.05943	1.2
162.06723	3.7
165.07056	6.4
166.07767	11.6
167.08556	1.7
168.09375	3.3
169.06259	1.4
169.10120	8.1
170.07295	1.6
171.06282	1.3
171.08055	5.8
171.11696	20.6
171.56416	1.8
175.07582	1.9
179.08578	2.5
180.06544	2.1
181.06593	1.8
181.10123	23.6
183.08134	1.7
183.11746	1.5
184.08870	5.0
185.05981	2.6
185.09602	4.0
187.07498	3.8
187.57741	7.8
192.09111	1.8
193.09729	1.4
194.07118	1.3
197.09550	1.9
197.43460	1.1
198.12793	1.7
199.07515	3.4
199.11191	44.7
208.08806	1.4
209.09618	9.4
211.09828	1.4
212.08266	2.9
226.12317	3.7
227.10686	68.7
237.08855	1.2
238.60294	2.5
244.13388	8.4
246.59921	1.1
252.59795	5.2
261.10126	2.0
268.61105	12.4
269.11377	6.4
269.61240	1.1
277.12384	5.0
277.62579	1.3
286.14389	100.0
287.05508	11.4
287.14456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05493	1.5
56.84637	0.8
60.60682	0.9
67.05515	1.8
70.53922	2.7
79.05497	3.0
81.07048	3.1
91.05479	9.3
93.07027	1.0
95.04929	1.0
96.45354	0.8
100.61742	0.8
103.05485	1.3
105.07034	13.9
107.04972	4.5
115.05452	3.3
115.99421	0.9
117.06999	2.4
119.08527	0.8
119.63155	0.8
121.06497	1.1
128.06227	12.7
129.06041	1.2
129.07001	18.1
130.04131	1.1
130.07741	2.5
131.04895	2.1
131.08546	3.1
133.06473	1.7
137.05939	1.1
141.06985	8.1
142.07785	9.2
143.08565	42.7
144.05690	0.9
145.06503	3.8
145.10103	2.3
147.04433	1.9
153.06976	5.5
154.07854	2.1
155.06001	1.6
155.08556	19.3
156.09354	15.5
157.06511	7.1
157.10126	14.4
157.56635	1.1
158.07298	1.1
159.04408	3.3
162.06834	1.6
165.07001	5.3
166.07788	9.6
167.08554	2.5
168.09352	3.9
169.06404	2.1
169.10121	5.3
170.07259	1.0
171.08034	8.7
171.11694	33.9
175.07562	1.1
181.10130	21.1
183.11752	3.6
184.08859	6.4
185.05959	5.3
185.09729	1.5
187.07582	2.0
187.57680	3.7
191.08624	0.8
194.07022	1.1
197.09584	0.8
198.06781	1.1
198.12807	1.4
199.07562	7.3
199.11183	72.2
200.11520	1.2
208.08725	1.2
209.09526	3.5
212.08299	3.2
215.10675	0.9
222.58829	1.5
225.86314	0.9
226.12328	2.8
227.10672	100.0
228.11003	1.9
240.06058	0.9
244.13322	11.8
252.59789	2.3
268.61118	7.4
269.11365	1.7
269.61282	1.1
277.12363	2.3
286.11566	1.5
286.14423	20.2
287.05484	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1438
Annotation	Isococlaurine
Peak:m/z	Relative Intensity
53.03947	0.7
69.94939	0.3
70.74188	1.0
79.05499	1.4
81.08082	0.3
91.05478	1.4
95.04967	1.1
103.05470	1.2
105.04505	0.4
107.04960	100.0
108.05310	0.6
109.06555	0.5
115.05459	9.2
117.07018	1.2
119.04992	0.6
121.02874	1.7
121.06501	3.2
131.04955	1.7
137.05986	9.4
143.04930	14.5
144.05685	0.7
145.05397	0.5
145.06497	7.8
149.06050	0.5
151.07549	0.9
155.06035	0.7
160.05228	0.9
160.07610	0.5
162.06752	0.5
163.06284	0.5
163.07530	0.9
165.07019	0.5
166.07751	0.7
175.07574	7.5
178.08681	5.7
180.42467	0.3
181.06502	1.5
181.10179	0.8
182.07214	0.4
187.57732	0.8
189.07019	0.4
190.07867	0.8
191.08563	2.5
192.10199	0.5
194.07288	2.9
195.08023	0.7
201.07202	0.4
208.08815	0.3
209.09608	7.1
210.59659	0.4
211.07388	0.5
211.11195	0.6
213.39627	0.4
218.07230	0.3
219.08038	1.3
225.05409	0.6
236.08395	0.5
237.09126	8.7
238.09839	0.7
239.06978	1.3
240.07889	0.6
251.10696	0.6
254.09357	1.8
267.09933	0.4
268.61188	1.0
269.11740	33.3
286.14389	58.6
287.14716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.07073	1.0
57.38951	0.6
67.05525	0.5
67.89241	0.4
70.71709	1.0
70.72108	1.0
71.08633	0.7
72.08172	2.6
78.04701	0.5
79.05531	0.5
81.07063	0.6
86.06072	1.8
90.09209	1.8
91.05482	1.4
93.07063	0.6
95.04922	0.5
95.08600	0.5
105.07020	0.8
107.04960	6.2
107.08594	0.6
115.05489	1.2
117.07040	0.6
119.04966	0.6
119.08599	0.5
121.06550	0.5
125.09613	0.7
126.09874	0.5
127.98783	0.6
129.06960	0.7
131.08536	0.5
137.06004	0.6
139.05501	0.5
140.06242	0.4
141.07011	1.5
143.04967	0.9
143.08556	1.5
145.06476	0.9
147.04430	1.5
151.07524	0.7
153.06999	1.9
154.07626	0.7
155.08597	2.4
157.06461	1.0
157.56673	0.8
158.11705	0.5
161.06094	0.5
162.06775	1.3
165.07021	7.6
166.07431	0.7
167.08554	0.7
168.05716	6.0
169.06517	0.8
171.06125	0.7
171.11745	0.9
171.56393	1.6
175.07538	1.0
179.04898	1.9
179.08618	1.2
181.06465	1.2
181.10162	0.8
182.07220	1.5
183.08075	10.2
185.06044	1.0
187.07593	1.3
187.57721	2.9
193.06500	3.6
194.07301	1.2
195.08086	1.5
196.03511	0.9
196.05219	15.6
197.06007	3.6
197.09534	0.7
198.06483	0.4
199.03941	0.6
199.11214	1.6
201.09177	0.5
207.04430	54.9
208.04958	0.8
208.08698	0.9
209.09543	1.1
210.06795	2.7
211.07558	40.4
212.08061	1.3
213.05530	1.3
214.06245	0.8
217.99547	0.4
220.08664	0.7
221.05997	6.4
222.06496	1.9
222.58737	0.5
223.07541	1.8
224.04710	3.0
225.05510	1.1
225.09114	9.1
226.09839	1.8
227.03421	7.9
227.06914	0.5
227.10635	3.0
228.07790	1.8
236.58325	0.6
237.09178	2.4
238.06371	0.6
239.07045	89.8
239.96104	0.5
240.07452	2.3
240.11273	0.5
242.05753	15.8
243.10162	3.2
244.13353	0.7
252.59805	1.7
253.08644	6.9
254.09338	7.8
255.10181	2.0
256.07297	3.2
257.08109	46.6
258.08313	1.4
268.61105	4.5
269.11646	3.1
271.09665	46.1
272.10019	0.7
277.12415	1.4
286.11993	100.0
286.22562	1.7
286.27832	0.5
286.31033	13.5
287.05493	3.4
287.12341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0993
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96559	0.2
57.03432	0.4
67.05526	0.2
68.24612	0.2
69.03416	0.4
69.82016	0.8
69.82430	0.4
70.04504	0.2
70.06593	0.7
72.08158	0.3
73.02943	0.3
83.75258	0.2
85.02911	0.9
97.02898	0.3
98.21505	0.4
105.66706	0.3
108.08134	0.3
109.05141	0.6
110.03529	2.5
119.01913	0.7
127.03912	0.2
128.04555	1.3
135.03030	5.6
136.07568	0.7
138.59618	0.2
141.10207	0.3
145.03511	0.3
152.05687	100.0
153.04094	6.6
154.02547	0.3
161.02965	0.2
261.03128	0.9
284.11325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	9.5
61.40024	1.9
65.26858	2.0
69.67196	3.7
69.67609	8.0
72.25360	1.7
72.93781	4.8
74.93160	5.9
76.25233	1.8
76.92822	1.8
78.01437	1.8
79.05506	2.2
81.03365	2.3
84.04501	2.9
90.94825	2.2
91.05479	20.9
93.07034	2.1
94.04158	3.9
95.04977	2.7
98.97568	7.0
102.04668	6.2
103.05489	2.9
107.04971	13.1
110.07204	1.9
113.96407	4.5
115.05457	13.4
116.98622	5.2
118.06547	1.9
119.04938	8.1
119.07331	3.9
119.08482	2.1
120.05693	2.2
122.03660	2.6
123.04382	3.8
130.04150	11.3
131.04916	11.6
131.97443	2.2
132.95779	3.7
134.99620	5.5
137.05945	9.0
143.04929	10.1
144.05707	3.2
145.06503	2.7
147.04427	15.4
150.96838	4.4
151.07530	10.3
156.05664	2.3
157.06494	24.0
157.56656	3.5
160.22736	2.0
161.05969	3.0
162.06766	27.2
165.07031	6.2
166.07785	2.0
167.08606	2.3
171.06215	20.1
173.07681	2.3
175.07541	12.6
178.08749	4.4
178.89217	2.5
179.08574	5.8
179.56320	3.6
181.06429	4.8
182.07239	1.8
184.95213	3.2
187.07556	52.8
187.57747	7.0
190.06802	2.1
191.08551	6.4
192.09360	12.3
193.09900	2.9
194.07291	2.5
195.08061	7.1
196.08849	5.1
197.06036	4.4
199.07506	2.7
201.00694	4.5
207.08073	9.7
207.96855	2.8
208.08856	14.9
208.59055	2.2
209.09721	3.0
211.07524	6.4
211.39830	1.9
212.08278	2.7
213.09094	7.1
215.99596	8.2
218.07149	2.1
219.08002	5.2
220.08804	7.4
220.90308	3.9
221.05966	2.5
221.09508	2.7
222.08583	7.1
222.89861	2.1
223.07480	5.4
224.08287	3.2
225.09090	2.8
235.07558	3.7
236.08295	15.1
236.91811	2.8
237.09103	3.0
238.09845	8.6
238.89316	2.3
238.91396	7.9
240.11557	2.8
240.90938	2.9
243.99092	8.1
244.58452	3.1
246.65424	1.9
252.09599	28.0
252.11653	2.4
252.59784	5.6
253.08551	3.7
254.11279	13.0
260.59543	10.2
261.02847	3.7
268.10959	100.0
268.61096	18.0
269.11255	3.2
276.11685	4.9
276.62317	27.4
277.12433	5.2
284.63000	4.2
285.13617	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	283.1541
Annotation	Merrillianone
Peak:m/z	Relative Intensity
51.04485	2.1
52.77084	2.3
52.86060	2.5
53.03946	4.3
55.01872	3.0
55.05510	5.1
57.03441	3.2
67.05500	9.5
67.96854	2.5
69.07089	3.9
70.53194	5.2
70.85255	2.1
79.05489	9.7
80.36430	2.2
81.03421	8.0
81.07037	12.0
83.04983	3.5
91.05488	17.9
93.07063	11.6
95.04984	3.8
95.08618	6.7
96.26350	2.4
97.06546	2.5
105.07043	24.3
107.04959	4.5
107.08593	16.0
109.02879	16.6
109.06532	3.9
109.10201	4.1
116.75627	2.4
117.07018	17.9
118.87769	2.5
119.08578	26.0
119.91100	2.2
121.02895	4.7
121.06515	5.2
123.04436	7.9
123.08016	3.8
128.06245	5.2
129.07001	7.5
130.07808	3.1
131.08589	36.2
133.10152	35.1
135.08069	6.3
141.06998	6.6
142.07802	3.3
143.08583	9.4
145.06503	10.2
145.10127	19.7
147.08115	3.8
147.11642	12.8
149.09685	4.0
152.18773	2.7
153.06987	9.7
154.07755	4.4
155.08597	10.5
155.40921	2.3
157.10130	17.7
158.10968	3.3
159.08087	11.0
159.11717	33.0
161.09659	3.2
161.24431	2.5
163.07547	4.6
165.07014	6.1
166.07443	4.9
167.08607	5.2
168.09369	12.0
169.10188	5.9
171.11665	3.2
173.05954	4.0
173.09679	7.9
173.13283	16.5
175.11174	6.7
177.09102	3.1
177.12737	3.3
183.11708	26.3
187.11189	30.9
189.09282	2.7
191.08754	3.0
191.10692	2.4
193.06546	3.6
193.10034	4.2
194.06938	11.7
195.08037	4.2
196.08714	2.5
201.12741	33.1
203.10654	6.6
205.06523	5.0
205.12260	56.2
208.08551	2.9
211.11220	10.6
215.72371	2.3
219.13857	17.5
221.11888	3.9
222.06561	8.7
226.09387	20.4
229.12280	34.9
237.09152	4.2
239.06976	4.3
240.07425	15.4
247.13417	13.4
250.05746	4.3
251.06996	3.4
255.06325	5.2
265.08569	14.7
265.14374	100.0
268.06973	21.9
283.06027	14.1
283.09314	41.2
283.15552	2.4
284.12875	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	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
55.42208	0.7
57.07072	1.0
60.04518	2.9
67.05514	1.7
69.07054	2.9
70.26053	3.2
71.05004	1.7
79.05471	3.3
81.06585	0.9
81.07065	17.8
83.08611	2.9
85.06535	1.2
91.05493	5.0
93.07055	7.7
95.08617	13.8
97.06508	1.2
97.10152	2.0
105.07041	9.8
107.08604	16.5
107.70351	0.8
108.42989	0.8
109.10144	3.6
117.07018	3.1
119.08578	8.0
121.02899	0.9
121.06511	4.8
121.10155	18.0
131.08582	8.8
133.10135	3.4
134.09644	0.9
135.11688	4.3
143.08559	1.0
145.10133	16.0
147.11711	7.8
148.11189	1.4
149.13203	1.0
157.10141	1.4
159.11711	44.8
161.13281	9.7
162.92674	0.8
163.11368	0.8
163.14792	1.0
172.12483	1.3
177.12831	3.9
177.16405	42.5
179.08211	0.8
184.12053	0.8
187.14841	65.6
204.17493	13.0
205.15897	68.0
206.16266	0.9
222.18565	5.7
226.08633	1.7
246.18526	6.8
250.74969	0.8
254.08107	2.5
264.19528	4.9
282.07706	4.5
282.20645	100.0
283.20886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
55.05521	3.2
56.34731	1.3
57.03451	1.6
67.05496	5.1
68.99797	2.3
69.03428	5.9
69.07060	3.3
70.06580	2.5
70.82529	4.0
71.04987	1.9
79.05489	5.6
81.03419	6.2
81.07073	8.1
83.04984	5.0
84.08149	1.5
85.02920	2.7
90.75946	1.3
91.05475	6.6
93.07036	8.9
95.04982	7.0
95.08618	5.8
97.02892	1.7
97.06516	2.0
103.05485	1.9
105.07030	12.7
107.04956	5.4
107.08601	10.4
109.02886	7.9
109.06502	3.3
109.10218	2.2
111.04475	2.4
117.07007	6.8
119.04965	1.4
119.08589	11.7
121.02869	12.5
121.06503	3.4
121.10158	2.6
122.06133	1.3
123.04436	3.8
123.08060	2.3
128.06223	2.7
129.05426	1.8
129.07002	2.8
131.08571	18.6
133.06509	2.5
133.10139	20.0
135.08040	2.5
138.09134	1.8
139.03865	2.5
140.03508	1.5
141.06944	4.0
142.07703	3.7
143.08563	5.1
144.09261	2.0
145.06448	4.7
145.10101	9.4
147.08060	2.3
147.11681	5.8
149.06035	1.6
151.03891	1.4
151.61459	1.3
152.06212	3.3
153.07039	9.2
154.07547	2.4
155.08553	4.7
157.10100	7.2
159.04408	1.9
159.08081	4.5
159.11713	15.7
161.09630	3.2
165.06978	9.1
166.07416	11.3
167.08488	3.3
168.09306	4.1
169.06441	1.5
169.10118	4.3
171.11670	1.4
173.05969	3.1
173.09627	3.8
173.13268	5.5
175.11316	1.7
177.06993	4.2
177.09065	1.9
178.07553	2.3
179.08414	1.8
181.05077	2.1
181.06429	8.2
181.08676	1.3
181.10109	2.6
182.06982	2.2
183.11693	13.6
185.06030	3.0
187.03928	1.8
187.11208	14.7
190.07678	2.4
191.08522	3.0
193.06502	6.1
194.06866	23.0
195.04364	1.6
195.08110	7.0
197.05972	2.2
199.07610	2.6
201.05510	1.7
201.12769	13.9
203.08246	1.7
205.06520	10.9
205.08369	3.1
205.12250	27.5
209.06029	2.8
209.07745	2.3
209.09483	2.8
211.07373	2.9
211.11205	3.9
212.07889	5.0
213.05408	2.3
219.13887	7.2
220.08328	1.5
221.05983	3.6
222.06488	19.6
222.08717	2.9
223.07549	8.4
223.09552	1.9
223.13335	2.4
224.08142	1.8
225.05557	1.8
225.09050	6.3
226.09448	45.0
226.11685	2.5
227.07083	2.7
227.09079	2.1
229.04991	2.2
229.12256	15.4
232.77077	1.3
233.05983	5.6
233.08018	2.0
237.05394	4.3
237.09106	10.5
239.07021	5.1
240.07413	29.4
241.04916	1.8
247.13341	9.3
250.05896	12.8
251.07050	7.4
255.06442	6.0
255.08664	2.4
255.12112	5.8
264.07422	1.9
265.08563	31.8
265.14371	52.6
267.06552	2.2
268.06924	45.4
269.07590	1.6
269.10489	2.4
283.06027	25.3
283.09293	100.0
283.15445	3.6
284.09689	3.3
284.12851	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	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.4
59.14986	2.0
60.02610	2.1
67.05494	7.6
69.03436	2.6
69.07076	2.8
71.08640	4.4
74.56557	1.9
75.79687	2.0
76.80235	2.1
77.01464	2.5
79.05489	8.6
80.47657	2.1
81.03382	3.0
81.07064	10.7
83.04980	3.2
89.78690	2.2
91.05486	19.6
93.07056	12.5
95.04983	2.8
95.08591	6.8
97.02929	3.0
103.05441	3.3
105.07045	21.5
107.04962	4.4
107.08587	5.5
109.06505	2.3
109.10177	3.0
115.05468	3.2
117.07021	16.7
119.08569	8.9
120.04435	4.1
121.06484	3.6
122.96420	2.0
128.06194	6.2
129.07028	23.9
131.08568	35.8
131.38359	1.9
133.10132	5.3
134.09695	2.5
135.08034	2.7
137.70766	2.4
141.06969	23.3
142.07744	9.3
143.08553	28.8
144.09235	3.5
145.06471	7.2
145.10118	15.5
147.07979	2.7
153.06989	9.7
154.07813	3.3
155.08562	42.9
156.09348	3.7
157.10115	20.8
159.08029	9.3
159.11710	10.1
161.05951	4.7
161.09613	2.9
163.07532	2.6
165.07031	3.6
166.07777	2.7
168.09363	30.9
169.10107	6.0
171.11664	10.3
173.09613	4.3
173.13286	25.3
178.07683	3.7
179.08507	3.3
181.10175	4.5
183.11697	100.0
187.07579	3.4
187.11198	6.8
193.10117	8.7
199.11241	3.8
201.09052	3.0
201.12749	82.6
206.06799	8.3
211.11191	26.4
217.12189	3.7
219.08083	2.8
219.13820	4.3
219.28348	2.3
221.06192	2.5
223.07535	2.5
224.07904	8.5
229.12241	90.6
234.06355	4.8
234.10361	8.4
235.07561	10.3
239.07018	3.5
247.13301	76.5
250.09833	12.9
252.07422	14.9
254.08110	4.0
265.12076	25.9
265.14462	9.9
282.08432	30.2
282.11258	5.3
282.22284	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.05514	2.3
57.03428	1.5
67.05497	4.8
69.03439	2.3
69.07070	1.5
69.74108	5.6
73.02949	1.2
76.04024	1.6
79.05493	3.8
81.03415	2.7
81.07055	7.5
91.05472	10.7
93.07066	7.7
95.04962	2.8
95.08614	6.6
96.81301	1.2
97.06535	1.7
98.21526	1.1
98.97594	1.7
105.07034	15.0
107.04964	1.6
107.08605	6.4
109.02882	6.1
109.06518	3.6
115.05470	1.8
117.07021	7.7
119.08569	8.4
120.04457	1.2
121.02882	1.5
121.06502	1.6
121.10139	1.8
123.08091	3.5
128.06226	2.5
129.07031	8.1
131.08563	18.6
133.06473	2.6
133.10115	4.4
135.08026	1.9
137.05948	2.2
141.07008	4.1
142.07758	5.4
143.08562	8.1
144.09290	1.6
145.06430	3.2
145.10130	10.9
147.08047	2.2
147.11699	5.0
149.05991	1.8
149.09630	3.2
151.07553	3.5
153.06987	3.3
155.08536	6.9
157.10118	13.6
158.10899	1.7
159.08093	5.0
159.11739	7.5
161.09579	1.5
167.08508	1.3
168.09337	6.7
169.10057	1.4
171.08153	1.1
171.11693	1.4
172.08852	1.7
173.09650	5.7
173.13281	14.1
175.07591	2.7
175.11137	2.5
177.09122	3.8
178.07353	3.0
179.07053	1.4
183.11703	20.1
185.09584	2.4
185.13203	1.8
187.07594	1.6
187.11220	5.3
189.09113	1.7
193.10143	2.2
193.57401	1.5
201.09119	1.9
201.12746	30.0
203.10632	4.2
205.12247	1.7
206.06848	7.1
207.38326	1.2
208.07881	1.1
211.11310	6.1
219.13834	9.4
223.07515	1.5
224.07884	8.3
229.12248	26.7
234.06343	3.0
237.08775	1.1
239.07083	2.6
247.13300	100.0
251.07037	1.9
252.07384	11.6
254.08662	1.8
264.07544	1.2
265.14374	11.0
266.60522	1.3
267.06491	2.5
267.09207	2.3
274.10095	1.1
282.08411	22.1
282.11502	5.1
282.16943	3.9
283.09177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
55.05508	2.0
65.03917	1.8
67.05510	5.5
67.16621	1.4
69.03407	1.6
69.47771	5.8
69.48220	5.7
77.66148	1.4
79.05499	8.7
81.07064	13.8
83.35678	1.6
85.02884	2.3
91.05492	15.5
93.07057	6.1
95.04986	1.5
95.08622	4.4
103.05475	2.0
105.07034	15.0
107.04944	2.4
107.08593	4.2
109.02932	1.6
109.06535	2.6
115.05470	2.9
115.27753	1.4
117.07044	13.0
119.08587	6.4
120.04462	7.0
121.02899	2.8
121.06501	4.2
128.06230	5.7
129.07013	20.5
131.08582	24.3
133.06476	2.7
133.10141	4.1
135.08052	2.1
138.05530	3.0
141.06992	17.1
142.07784	7.8
143.08597	17.8
145.06473	3.6
145.10120	14.3
147.08032	2.1
147.11703	3.8
149.06001	3.5
153.07014	9.2
154.07799	2.7
155.08571	35.7
156.09341	1.8
157.10156	20.1
159.08081	5.6
159.11728	5.5
161.05977	3.7
163.07550	3.1
165.07056	5.2
166.07619	1.8
167.08607	3.2
168.09354	23.1
169.10106	2.9
171.11694	5.3
173.06071	2.0
173.09666	5.1
173.13277	21.4
175.11220	2.2
178.07590	3.0
181.06502	2.4
181.10121	4.7
183.08150	6.7
183.11705	100.0
185.09694	4.5
187.07530	1.7
187.11191	2.6
190.07687	2.0
191.08623	2.9
193.10213	8.4
196.08560	2.1
199.11241	4.3
201.09094	6.1
201.12758	67.7
205.06531	1.7
206.06804	7.8
207.08105	2.6
211.11220	21.7
217.12247	4.0
219.08052	4.9
219.13930	2.9
221.05943	1.8
224.07896	11.0
229.12262	92.6
234.06398	4.0
234.10417	11.5
235.07658	13.5
236.08217	3.4
247.13332	66.9
250.09959	15.7
252.07422	12.8
265.12173	36.1
265.14465	5.5
282.08386	25.7
282.11398	2.9
282.17032	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	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.5
67.52672	1.0
71.41603	2.1
76.01591	1.2
76.18250	1.0
79.05486	1.6
91.05472	3.1
93.07042	2.4
95.04971	1.8
105.07033	3.3
107.08617	2.3
117.07024	4.0
119.08578	5.2
120.04485	1.5
121.06500	2.0
123.04427	1.1
128.06195	1.6
129.06970	1.6
131.08566	4.6
133.31242	0.9
141.07024	2.5
142.07822	1.7
143.08582	6.2
145.06442	5.8
145.10124	1.3
153.07002	1.3
155.08517	5.1
157.08376	1.1
157.10162	10.0
159.08020	2.4
159.11687	3.5
163.07494	1.3
165.07048	1.3
167.08578	2.7
168.09392	5.5
169.10078	1.4
173.05957	3.0
173.13199	1.0
178.07759	2.4
179.08545	4.5
181.10190	1.9
183.11717	20.8
187.11212	1.9
189.07042	1.9
190.07864	1.9
191.08582	3.2
193.10135	4.5
201.09160	1.2
201.12823	5.1
202.07706	1.8
203.08702	5.0
205.06557	1.9
205.10124	2.8
206.06921	2.4
207.08067	6.6
211.11229	11.7
217.06537	1.8
218.07213	3.7
219.08043	8.1
221.05997	4.1
221.09595	4.8
222.10391	1.9
224.07869	3.0
229.12260	19.3
233.09601	5.2
234.06566	1.1
234.10420	27.7
235.05173	1.6
235.07562	33.3
236.08319	5.9
247.13318	12.1
249.09355	1.5
250.09904	44.2
252.07382	3.4
265.12247	100.0
266.12573	2.6
282.08429	4.0
282.14886	3.6
289.88135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01899	2.1
57.03439	7.5
58.24922	1.4
61.02938	11.1
68.73288	1.5
69.03436	20.9
69.78384	9.0
71.04975	2.0
72.08156	2.5
73.02911	5.0
80.50928	1.6
81.03421	9.5
84.18749	1.6
85.02912	100.0
85.06554	16.1
87.04472	3.3
91.03981	7.5
97.02892	25.7
97.06539	2.7
98.21418	2.1
99.04457	4.3
105.30608	1.5
109.02900	8.3
118.50521	1.6
120.10233	1.6
121.06564	1.8
127.03935	21.9
137.05957	2.0
145.04973	52.3
150.07758	8.4
159.06883	2.0
160.07526	1.5
163.06035	13.7
177.07870	2.1
202.03610	1.7
206.11736	1.9
206.67192	1.5
229.10742	4.5
252.12598	4.4
264.12527	3.2
270.13663	5.7
282.13559	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64397	0.3
64.02287	0.4
67.05497	0.8
70.81194	1.1
78.17400	0.5
79.05523	0.5
81.07053	0.5
91.05485	1.3
93.07049	1.0
95.04967	0.5
96.78741	0.4
98.20885	0.4
105.07026	1.1
107.08543	0.7
117.07019	1.2
119.08572	1.8
121.06517	1.1
124.02737	0.4
128.06248	0.5
129.06979	1.0
131.08563	1.6
141.06985	0.9
142.07866	0.7
143.08574	2.3
145.06483	1.4
145.10152	0.9
146.04871	0.5
153.07021	0.6
155.08540	1.7
157.10133	3.0
159.08151	0.5
159.11682	1.2
165.07001	0.7
167.08548	0.8
168.09349	1.9
173.05981	1.2
177.07004	0.6
178.07736	1.6
179.08568	4.2
181.10129	1.4
183.11708	6.9
187.11201	0.5
189.06998	1.5
190.07794	2.2
191.08566	5.5
193.10147	2.1
201.12651	2.4
202.07825	1.1
203.08519	4.3
204.09314	0.8
205.06503	1.2
205.10123	2.4
206.06906	2.2
207.08044	6.4
211.11194	4.1
217.06490	1.5
218.07271	5.3
219.08058	9.6
219.13879	0.4
220.08751	0.9
221.06068	3.6
221.09612	4.7
222.06619	0.6
222.10403	1.5
224.07933	2.4
229.12239	6.6
231.08078	0.6
232.08618	0.5
233.09637	5.7
234.10406	27.6
235.07552	31.2
235.11198	1.1
236.08330	5.1
237.09109	1.2
247.13278	4.1
249.09077	3.1
250.09908	44.2
252.07391	3.1
254.08199	0.6
265.12250	100.0
266.12543	2.4
282.08475	5.3
282.11502	0.8
282.14841	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	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01884	1.6
55.05529	0.9
57.03452	5.3
59.04992	1.3
61.02940	8.6
69.03442	17.6
70.03764	1.2
70.06586	1.3
70.08395	3.7
70.08724	1.1
71.04642	1.6
71.04999	18.5
73.02929	6.1
74.06091	15.9
81.03416	6.5
82.06582	0.9
83.04989	1.0
84.08159	12.7
85.02914	35.5
86.03226	1.3
87.04471	2.7
91.03960	2.7
97.02900	16.5
98.20776	0.9
98.97590	1.0
99.04478	2.3
101.00900	2.5
102.09192	35.5
109.02891	2.7
116.03924	1.4
117.02183	1.2
119.01938	4.7
120.10232	100.0
125.04449	1.2
125.54588	1.0
127.03947	8.7
131.01976	1.6
133.03488	3.3
134.03563	2.1
135.03252	1.3
140.05013	1.2
140.55077	1.2
143.01903	3.0
144.10216	3.6
145.03525	0.8
145.05002	6.2
147.03979	1.0
147.05087	1.0
148.05095	1.7
150.07774	13.2
151.05368	1.2
155.01910	1.8
155.55675	1.6
156.05487	1.2
157.03563	2.0
159.04999	1.9
161.02992	2.3
161.05685	1.7
161.55695	3.9
162.05521	1.6
162.11336	1.4
170.06004	1.1
170.56198	2.3
171.06108	1.5
173.02991	1.2
173.04883	0.9
175.04565	1.5
178.06287	1.0
179.05870	1.0
183.05057	2.1
185.02977	1.0
186.03094	1.3
191.56798	2.0
192.05554	3.0
192.57422	1.2
195.07227	1.3
196.07405	1.0
197.06970	1.0
201.07921	14.6
201.58136	1.6
205.05595	1.3
219.07169	5.3
220.07343	5.1
221.06992	5.6
246.13573	2.8
262.08527	1.0
263.08179	1.1
264.14685	1.1
282.07111	2.0
282.09485	1.1
282.15552	33.6
283.08612	5.0
284.08984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0886
Annotation	Nitrazepam
Peak:m/z	Relative Intensity
55.01873	0.3
70.00119	0.8
70.00510	0.7
72.31956	0.4
81.03428	0.4
84.22007	0.3
86.23861	0.4
94.06548	0.4
95.03889	0.4
109.02866	0.7
115.05453	0.7
120.04500	0.6
134.09618	0.5
141.06999	1.2
152.06209	1.7
153.07007	2.4
155.04860	0.4
155.06058	0.3
155.08546	0.7
165.07011	21.2
166.07727	1.5
167.08536	2.0
168.05710	0.4
168.09308	0.4
169.06464	1.0
176.06169	0.4
177.06966	0.6
178.07806	2.0
179.08556	2.5
180.08040	0.9
180.09441	0.8
181.06487	4.2
182.07295	1.8
183.08086	2.2
185.06075	0.4
189.07002	1.5
190.07811	1.7
191.08667	1.7
192.33464	0.3
193.06506	35.5
194.07266	2.9
195.04501	0.5
195.08058	1.8
196.05251	0.4
196.08926	0.7
197.05972	1.4
197.09700	0.5
198.09229	0.7
201.01764	0.5
204.08078	2.1
205.06482	2.3
206.07362	2.1
206.09239	0.4
207.08115	4.1
208.07512	2.5
208.08937	2.2
209.06004	1.3
210.06786	2.9
211.04047	0.4
211.07581	6.0
217.06516	0.9
218.07390	2.4
219.08092	1.6
221.06018	20.8
221.08328	2.5
222.06729	3.2
222.09151	2.3
223.07579	2.5
224.08395	0.5
225.09116	63.7
226.08998	1.3
232.07588	1.1
234.06860	0.5
235.07629	4.2
236.06804	1.2
236.08327	3.8
236.10721	1.1
237.05583	0.7
237.09155	0.6
237.11472	1.1
238.06258	1.1
238.08601	1.6
239.07054	44.9
239.09259	2.5
240.07477	0.8
247.07495	1.0
249.05498	9.8
249.07822	1.0
250.06221	1.7
250.08676	0.9
251.07091	0.6
252.07918	2.2
253.04938	0.6
253.08687	2.9
254.08257	5.4
254.11821	5.6
263.07077	3.3
264.07779	1.7
264.10248	1.0
265.08633	1.2
265.14359	0.6
266.08157	0.6
267.06525	60.0
267.08704	3.4
268.06897	1.5
282.08853	100.0
282.11267	8.0
283.06238	0.6
283.09076	2.3
300.12411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.5
69.03436	1.8
69.07052	1.7
70.87729	2.0
79.05489	3.8
81.03410	1.6
81.07066	6.7
83.04984	1.3
91.05482	8.0
93.07049	7.1
95.04977	2.0
95.08604	5.8
97.06511	1.8
99.04509	1.4
105.07041	10.5
107.08598	6.7
109.06506	1.6
109.10154	2.5
115.05451	2.3
117.07026	2.7
119.08616	6.0
121.06474	1.5
121.10129	3.9
123.04451	2.1
128.06224	1.8
129.06984	5.1
130.07779	1.4
131.08585	5.5
133.06496	1.5
133.10164	5.4
135.08006	1.3
135.11729	1.4
136.17282	1.1
137.05978	1.5
141.06946	1.5
142.07669	2.0
143.08569	9.5
145.06429	1.5
145.10091	7.0
147.08061	2.0
147.11674	6.9
149.09541	1.5
151.07594	1.7
152.06206	1.5
155.08513	2.1
156.09277	2.7
157.10101	5.7
159.08073	1.1
159.11696	3.8
161.05981	2.1
161.09619	4.7
161.13264	3.9
165.07022	3.6
167.08539	4.8
170.10739	1.3
171.08142	2.3
171.11714	10.0
175.07590	5.2
176.06192	3.0
177.07031	18.3
177.08774	1.2
177.09151	1.1
178.07524	1.3
179.08572	3.6
180.09482	1.2
181.06537	1.3
185.13280	16.8
189.06981	1.9
189.09164	2.3
189.12741	9.4
191.10620	1.6
195.08008	4.4
195.11685	2.6
199.11186	2.1
203.14355	4.4
205.06485	35.8
206.07114	1.3
207.08063	4.5
210.06766	1.9
213.12823	5.9
217.06406	1.1
217.12276	1.6
221.06071	1.2
223.07538	56.3
224.07903	1.5
225.08931	2.0
231.13806	11.1
233.05994	14.2
234.06505	1.2
235.07544	5.0
237.05487	1.4
238.06226	1.6
238.09546	3.1
245.11661	2.2
245.15335	1.9
249.14859	42.6
249.17456	2.2
251.07051	58.4
252.07495	1.9
253.08609	2.4
263.07034	3.6
264.07809	1.1
266.05789	1.6
266.08945	4.5
281.08093	100.0
281.10889	4.8
281.13840	3.2
282.08456	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	281.2114
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
52.98934	2.5
53.03941	4.3
55.01879	5.0
55.05513	24.1
57.07080	6.7
59.05017	3.9
65.03934	3.8
65.62437	2.9
67.05501	31.6
69.03426	7.2
69.07071	36.1
71.04991	13.4
79.05492	31.5
81.03448	3.0
81.07062	62.1
83.04980	11.4
83.08615	21.5
85.02934	5.2
85.06557	16.7
91.05470	23.4
93.07047	56.9
95.04971	10.0
95.08610	99.7
97.03646	2.8
97.06534	11.0
97.10164	9.5
99.04461	7.2
99.08110	7.4
105.07040	36.5
107.04958	3.7
107.08595	62.5
109.06522	12.5
109.10152	53.5
110.10468	3.2
111.04489	3.2
111.08055	7.5
111.23573	2.9
113.06002	4.2
113.09645	5.6
115.05476	4.5
115.07549	3.4
117.07033	10.7
117.22292	2.7
119.05042	3.5
119.08578	48.2
121.06527	7.3
121.10143	89.5
123.08075	11.8
123.11726	12.7
125.09626	10.4
127.07609	3.5
128.06224	4.4
129.07019	11.0
129.09094	7.3
131.08586	16.3
133.06517	5.2
133.10115	32.5
135.08069	10.1
135.11690	28.8
137.09605	16.0
137.13252	3.8
139.11183	9.8
141.07036	3.1
142.07773	6.6
143.08582	15.0
145.10141	27.4
147.08102	3.8
147.11708	23.7
149.02347	3.5
149.09621	10.8
149.13266	12.6
151.02672	2.9
151.11159	3.9
153.07030	4.0
153.09108	6.7
155.08562	7.8
155.10696	9.8
156.09279	7.9
157.10158	11.4
159.08083	5.2
159.11673	14.4
161.05948	7.1
161.09648	9.0
161.13271	12.6
163.11191	8.0
163.14764	7.2
165.07014	7.2
166.07782	3.5
167.08504	3.8
167.10657	18.2
169.10109	7.4
171.11739	16.8
173.09659	4.1
173.13246	7.7
175.07544	3.8
175.11209	12.9
175.14888	4.8
176.06268	4.7
177.07010	17.1
178.07626	5.3
179.08583	6.4
179.10696	4.1
181.10149	10.7
181.12259	10.0
183.11694	6.3
185.13249	7.7
187.14847	26.4
189.09021	3.1
189.12773	9.7
193.10225	3.7
193.12231	16.8
195.07980	4.0
195.11740	8.4
197.09624	3.6
197.13344	5.7
199.11253	6.6
199.14899	3.8
201.09201	4.5
203.10701	5.0
203.14395	5.3
203.17903	9.0
205.06534	34.8
207.08160	5.7
207.11804	4.3
207.13818	11.7
209.15511	3.3
217.12218	7.3
217.15836	4.8
221.08038	4.3
223.07552	48.1
223.16902	16.6
225.09106	3.5
227.10664	6.4
227.17961	15.3
233.06020	11.3
233.08061	3.3
235.07552	4.1
235.16966	5.6
245.11723	4.8
245.15363	4.5
245.19048	37.4
251.07033	49.3
251.09106	2.6
254.07870	5.2
263.07028	7.2
263.12695	6.0
263.17334	4.3
263.20096	100.0
264.20383	4.6
275.24475	3.4
281.08047	63.3
281.11087	9.6
281.15182	5.9
281.18909	17.6
281.21033	3.1
281.21646	5.1
282.07776	8.5
299.06009	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	281.1386
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
53.03929	0.8
55.01863	1.0
55.05494	0.5
57.03409	0.5
63.44017	0.4
67.05478	1.8
68.99774	0.9
69.03426	3.6
71.04984	1.1
71.55392	0.7
77.13445	0.4
79.05477	1.5
81.03413	0.5
81.07059	2.1
83.04961	1.2
83.08618	0.3
85.06522	0.8
91.05062	0.3
91.05483	4.3
93.07036	1.9
95.04970	1.9
95.08615	0.9
97.06541	0.5
99.04424	1.0
105.07008	2.9
107.04932	0.6
107.08571	1.3
109.02842	1.1
109.06499	1.6
109.10197	1.0
111.04425	0.7
115.05389	0.6
117.07000	1.3
119.04899	0.5
119.08590	3.0
121.06493	1.2
121.10125	1.0
123.04392	0.5
123.08013	0.7
126.94781	0.4
128.06218	1.1
129.06987	1.6
131.08568	1.7
133.06471	1.3
133.10100	1.2
135.08063	4.1
135.11668	0.4
137.05966	1.2
141.06984	1.6
142.07780	0.9
143.08566	2.5
145.06508	1.4
145.10139	2.5
147.04405	0.4
147.08055	1.9
147.11685	0.9
149.06053	0.5
149.09602	1.4
152.06184	2.3
153.06975	2.0
154.07747	0.5
155.08542	1.7
156.09300	1.7
157.06451	0.7
157.10100	1.7
158.07243	1.0
159.08061	1.6
159.11629	0.6
160.08820	1.0
161.06020	2.1
161.09631	1.3
161.13313	0.5
165.07001	4.1
166.07765	1.4
167.07262	0.5
167.08592	5.7
168.09143	0.6
169.06468	0.5
171.08035	1.1
171.11760	2.4
172.08900	0.6
173.05965	1.4
173.09619	5.2
175.07501	0.6
175.11206	1.2
176.06186	3.9
177.07005	21.9
178.07832	2.9
179.08577	3.6
181.06500	1.8
181.10127	1.8
182.07315	0.7
183.08060	1.2
183.11665	1.1
184.08815	1.5
185.09581	1.2
187.07526	0.5
187.11224	0.7
189.07008	3.3
189.09113	0.9
189.12718	1.6
190.07657	0.5
191.08542	0.8
192.05862	0.5
193.06421	0.8
195.08073	4.1
197.05965	1.6
197.09497	0.6
199.11185	9.3
201.12808	1.0
203.10620	2.4
203.97704	0.4
205.06500	42.4
206.07036	1.8
207.08073	4.2
209.06058	0.5
209.09608	1.5
210.06671	2.2
211.07506	0.5
212.08398	0.9
217.06453	1.4
217.12244	3.1
221.06007	1.0
222.06776	1.1
223.07544	61.2
224.07990	1.1
225.09225	1.9
227.10655	6.7
233.05984	17.2
234.06589	1.0
235.07513	6.0
235.13440	0.5
237.05481	1.6
238.06177	1.6
238.09563	0.6
239.07117	0.8
245.06082	0.8
245.11739	21.2
247.13362	0.9
251.07043	62.4
252.07271	2.0
253.04884	0.6
253.08560	1.2
261.06686	0.7
263.06909	3.5
263.12750	3.5
264.07742	1.2
266.05875	1.1
266.09021	1.9
267.06476	0.6
281.08096	100.0
282.08398	3.1
299.06110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1386
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
50.83330	0.5
53.03941	0.6
54.63618	0.4
55.01872	0.6
55.05511	1.3
56.61579	0.4
57.03476	0.5
67.05499	2.6
68.99813	0.5
69.03431	1.7
69.07082	1.0
69.77586	2.9
71.01373	0.6
71.05003	2.1
79.05495	5.1
81.03437	0.8
81.07063	4.6
83.04988	1.0
85.02924	0.6
90.28645	0.5
91.05479	5.0
93.07053	3.6
95.04971	2.0
95.08629	2.4
97.06531	6.9
99.04459	3.5
100.93040	0.4
105.07039	5.2
107.04977	1.2
107.08598	1.5
109.02866	1.1
109.06528	1.6
109.10175	1.4
111.08107	1.5
114.43118	0.6
115.05471	1.6
117.07017	2.8
119.08589	3.9
121.06509	2.4
121.10142	1.1
123.04463	1.0
123.08092	1.1
125.06010	4.3
127.07582	0.7
128.06233	1.6
129.07027	3.0
131.08577	6.6
133.06502	1.8
133.10135	4.0
135.08063	1.1
135.11723	0.9
137.05980	1.5
139.07549	1.6
141.05478	0.5
141.07043	0.8
142.07791	2.4
143.08542	3.3
145.06485	1.0
145.10167	1.8
147.08125	1.0
147.11708	1.5
149.05931	3.8
149.09628	1.1
152.06223	2.2
153.07002	1.8
155.07214	0.5
155.08563	2.1
156.09390	1.4
157.06491	0.9
157.10135	5.7
159.08075	7.2
159.11729	0.5
161.05939	0.5
161.09636	4.0
161.13307	1.1
165.06978	3.9
165.09119	1.0
166.07788	1.1
167.07063	15.9
167.08585	6.1
169.06433	0.6
169.10252	0.9
171.08096	0.6
171.11682	2.7
173.09593	0.7
175.07658	0.8
175.11200	10.1
176.06183	3.9
176.22324	0.5
177.07013	23.6
177.09106	1.7
177.12630	0.7
178.07799	2.4
179.08575	4.8
181.05067	0.6
181.06529	1.9
181.10204	1.4
183.08133	0.8
183.11783	0.5
185.09605	5.5
187.07538	3.3
189.06981	3.0
189.12761	1.8
193.06546	1.8
193.10286	0.8
194.07225	0.7
195.08052	5.5
195.11732	0.7
197.06003	1.1
197.09669	1.1
199.11150	3.3
201.12779	0.7
203.07109	0.7
203.10663	10.0
205.06511	44.0
205.08560	2.7
206.07082	1.2
207.08075	4.6
208.05089	0.5
209.06055	0.7
210.06796	2.3
217.06590	1.3
217.12277	10.6
219.13754	0.9
221.06006	2.5
221.09825	0.8
221.11766	1.9
223.07553	65.9
224.07985	1.2
225.09152	2.3
227.10649	3.2
228.11032	1.2
233.05986	18.1
234.06699	1.7
235.07593	5.5
235.13292	1.7
237.05482	1.5
238.06190	0.9
239.07050	0.7
245.06166	0.5
245.11697	7.3
249.05377	0.8
250.10083	0.7
251.07051	69.4
252.07533	1.2
253.08621	1.5
253.12169	0.7
263.06909	3.3
263.09494	0.8
263.12894	5.3
264.07715	0.9
266.05841	1.4
266.09225	0.8
281.08090	100.0
281.18817	1.5
282.08456	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	281.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21939	0.3
54.03468	1.8
55.04251	2.5
56.96574	0.7
58.32178	0.3
69.03437	0.6
70.02964	0.8
70.06590	0.7
71.01326	0.4
71.07246	0.7
72.08128	0.4
79.05497	0.4
81.03465	0.4
81.04547	12.2
81.07053	0.9
82.05324	8.2
84.08144	0.8
85.02910	0.5
86.09704	0.4
91.05484	1.0
94.06583	0.5
95.08621	0.4
95.46356	0.4
97.02921	0.3
98.97558	0.6
105.07043	0.5
107.04971	0.4
107.08609	0.6
108.05595	1.4
109.10152	0.4
109.25850	0.4
110.07166	0.8
110.97567	0.7
119.04929	0.3
120.08115	1.2
122.07162	22.1
123.04435	1.3
123.07941	100.0
128.98621	0.8
129.06989	0.4
136.06195	3.2
136.07574	1.2
137.06006	0.5
146.99719	0.5
149.02371	0.4
150.02667	0.5
160.04256	1.2
162.04092	1.8
165.07756	6.2
166.08707	0.5
167.07175	0.4
175.07458	0.4
217.09866	0.5
222.07092	0.3
227.12004	0.4
235.10977	0.5
240.72021	0.3
245.12827	1.2
263.13867	1.5
266.99918	1.3
267.03116	0.3
281.10693	66.8
281.14838	3.7
282.10867	0.6
283.03131	0.9
299.06247	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	281.1385
Annotation	8'-Hydroxyabscisate
Peak:m/z	Relative Intensity
51.96595	3.1
55.01876	3.8
55.05512	7.3
67.05505	9.6
69.03425	6.4
69.07049	3.2
70.02946	11.9
71.04991	4.4
71.55389	2.6
71.55754	3.4
72.08144	4.1
73.04732	3.4
79.05495	10.6
81.03417	6.0
81.07082	16.7
83.05012	5.2
84.08167	5.1
88.03999	3.7
91.04994	3.3
91.05421	20.5
93.07046	11.9
95.04955	4.6
95.08636	5.8
97.02797	2.9
97.06530	5.4
99.04502	3.3
103.05473	8.4
105.07037	31.2
107.04982	6.3
107.08611	8.7
107.45748	2.9
109.02876	8.6
109.06540	8.7
110.06049	3.6
115.05470	8.5
117.06999	26.0
119.04907	5.7
119.08590	29.9
120.08104	47.0
121.06489	13.4
122.07153	4.0
123.04453	4.6
123.07961	16.6
128.06201	20.1
129.07002	30.4
130.07794	4.6
131.04944	6.5
131.08566	25.5
131.25493	3.0
133.06447	8.0
133.10104	8.4
135.08083	4.6
136.06183	9.1
137.02274	4.7
137.06013	7.2
141.07027	14.2
142.07791	22.1
143.08546	49.2
145.06483	8.1
145.10121	36.8
147.04485	3.5
147.08055	14.9
147.11681	5.4
149.05995	23.9
151.02827	3.3
151.07501	5.3
151.31972	3.3
153.07025	7.5
155.08543	20.5
156.09352	28.9
157.06526	7.9
157.10139	37.8
158.07254	4.0
159.08083	6.5
159.11667	4.6
159.79535	3.1
161.05971	12.5
161.09633	8.8
165.05730	4.2
165.06914	16.7
166.07649	22.3
169.10185	8.3
171.08017	8.8
171.11667	44.4
173.09630	17.8
175.07588	10.7
175.11189	9.2
177.09065	4.1
179.08580	3.3
181.10132	91.2
183.08009	5.8
183.11633	3.6
184.08849	9.2
185.06029	3.8
185.09627	11.0
187.07510	5.3
187.11076	4.0
189.05487	4.5
189.09126	13.8
189.12685	6.7
191.07031	4.0
199.11172	82.2
201.09102	49.4
202.55013	3.6
203.10703	25.6
205.06683	3.7
205.08513	4.6
209.09642	16.4
214.11179	4.0
217.12131	35.4
219.10083	7.2
227.10651	100.0
235.10956	16.1
238.06265	3.6
245.11536	53.6
263.06900	4.1
263.13174	26.8
266.99921	12.3
281.08127	8.7
281.10849	15.4
281.14618	49.0
283.02899	4.2
298.54041	3.7
299.06161	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	281.081
Annotation	Aristofolin E
Peak:m/z	Relative Intensity
52.87035	0.3
55.01875	0.8
67.05483	0.4
67.54200	0.4
68.99780	0.6
69.03418	0.6
71.57844	0.4
74.02077	0.3
81.07059	0.7
85.02903	0.6
93.07047	0.3
95.08617	0.6
98.97561	0.3
105.07009	0.4
107.08601	0.4
107.47363	0.4
109.06516	0.3
114.31761	0.3
117.07058	0.5
121.10226	0.5
129.06895	0.4
131.08519	0.5
138.07759	0.4
141.07002	0.6
147.11690	0.4
152.06227	1.3
153.06976	0.8
155.08592	0.6
160.76414	0.4
165.07014	4.8
166.07663	1.1
167.08592	4.6
168.08992	0.4
169.06543	0.6
169.10074	0.5
176.06212	3.3
177.07005	20.9
178.07799	2.5
179.08601	4.4
181.06544	1.8
182.07234	1.5
183.08044	0.7
189.06972	2.4
190.07588	0.4
191.08580	0.6
193.06487	1.1
194.07283	1.6
195.07957	4.9
196.08368	0.4
197.06064	1.2
197.09607	1.1
205.06497	38.3
206.06964	2.2
207.08020	5.4
208.08662	0.4
209.06085	1.0
210.06773	5.8
210.09866	0.8
211.07516	0.8
217.06473	1.2
218.07253	0.6
220.05206	0.8
221.06029	1.3
221.09576	0.6
222.06735	1.6
223.07538	57.3
224.08069	1.7
225.09106	4.5
231.04309	0.4
233.05992	15.5
234.06650	1.4
235.07576	6.3
236.08214	0.4
237.05534	1.1
237.09084	2.0
238.06293	2.2
238.09474	14.0
239.07051	0.6
249.05507	1.0
250.06256	0.8
250.09596	0.8
251.07053	57.3
252.07477	2.0
253.04929	0.4
253.05637	0.4
253.08574	6.9
263.06961	5.1
264.07745	0.8
265.08511	1.2
266.06107	0.9
266.08960	20.0
267.06503	0.6
272.10880	0.9
280.07120	0.5
281.08096	100.0
281.11301	27.3
282.08386	2.4
282.11258	0.5
299.06293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.3
57.07078	1.1
62.06095	35.8
67.05511	13.2
67.90145	0.5
69.07064	2.6
69.58887	2.3
69.59296	1.2
79.05496	5.4
81.07063	32.1
82.07407	1.0
83.08616	1.8
91.05487	2.3
93.07050	12.7
95.08612	100.0
96.08987	0.8
97.10177	1.7
105.07041	2.7
107.08604	9.2
108.08922	0.5
109.10162	17.5
110.10444	0.6
111.11726	0.9
119.08599	2.0
121.10140	11.0
123.11727	2.5
133.10086	0.7
135.11694	13.1
145.10194	0.9
147.11719	0.9
149.02348	2.2
149.13280	3.2
150.02744	2.9
159.11746	1.3
160.12044	1.0
161.13298	4.2
163.14819	11.0
191.17953	21.0
198.14920	1.7
201.16420	2.1
202.16739	1.2
219.17488	5.5
234.18440	1.2
251.07140	0.6
262.21689	1.3
263.20154	2.7
280.07019	0.6
280.10144	0.6
280.22739	48.7
281.23001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23295	14.1
70.23676	9.3
77.50357	4.0
80.55385	4.0
82.91557	4.0
108.50056	5.3
124.35653	5.1
279.50409	5.1
281.06412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0808
Annotation	Aristofolin E
Peak:m/z	Relative Intensity
55.01846	0.6
57.03413	0.3
67.05493	0.6
68.99767	1.0
69.03397	1.1
71.56138	0.3
79.05502	0.7
80.72897	0.3
81.03386	0.5
81.07020	0.9
83.04962	0.8
83.67445	0.3
85.02892	0.9
85.71751	0.3
91.05471	0.6
93.07017	0.5
95.04971	2.0
95.08614	0.5
97.27344	0.3
99.04451	0.3
105.06993	0.6
107.04927	0.3
107.08604	0.4
108.25664	0.3
109.06513	0.6
109.10156	0.4
117.07001	0.4
119.08566	0.4
120.08092	0.3
121.06477	0.6
123.08037	0.3
127.03949	0.4
131.08588	0.4
133.06493	0.4
133.10056	0.4
136.67337	0.3
137.09639	0.3
140.55379	0.3
141.06969	0.5
143.08498	0.4
147.08087	0.6
147.09177	0.7
149.09669	0.5
151.05443	0.4
152.06195	1.3
153.07065	1.6
154.07822	0.5
155.08559	0.7
157.06419	0.4
165.07010	4.9
166.07759	0.5
167.08562	3.2
169.06476	0.5
173.09666	0.3
175.07549	0.5
175.11121	0.4
176.06194	2.6
177.07010	15.0
178.07811	1.6
179.08556	3.2
181.06465	1.4
182.07288	1.9
183.08017	0.4
189.07021	2.3
191.08594	0.4
192.05710	0.9
193.06554	2.5
194.07202	1.0
195.08086	2.8
196.05118	0.6
197.05963	1.1
197.07750	0.3
197.09648	0.6
198.06764	0.4
203.10609	0.5
205.06499	26.9
206.07152	1.0
207.08112	3.3
209.06055	0.5
210.06781	6.6
211.07542	1.2
217.06491	1.1
217.12199	0.3
218.07129	0.4
220.05232	2.6
221.05978	9.6
222.06667	1.1
223.07552	38.9
224.08084	0.6
225.09145	6.5
233.05994	11.9
234.06694	0.7
235.07539	6.5
236.12952	0.3
237.05496	1.6
238.06268	6.7
239.06981	1.0
245.06053	0.7
248.04758	1.0
249.05484	8.6
250.06319	2.0
250.09937	1.0
251.07057	42.5
252.07425	0.9
253.08653	5.6
263.07022	4.2
264.07758	0.8
266.05713	2.3
266.09241	0.9
267.06445	0.6
281.08105	100.0
282.08542	2.1
282.11237	0.4
299.06241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05520	1.6
60.28413	1.0
67.05514	8.7
69.07069	1.9
70.77888	2.4
79.05492	7.3
81.07060	9.5
81.38706	1.1
91.05482	13.1
93.07038	9.5
95.04989	1.4
95.08614	13.4
95.98006	1.2
105.07031	19.3
107.08624	5.7
109.02876	1.9
115.05457	2.6
116.35307	1.2
117.07034	6.1
118.16165	1.2
119.08585	8.8
121.06516	1.7
123.04411	2.1
128.06236	4.2
129.07002	19.4
130.07661	1.6
131.08578	15.7
133.06483	4.5
133.10135	8.6
137.05998	3.1
141.06967	2.2
142.07823	2.9
143.08572	28.4
145.06516	1.8
145.10141	11.9
147.08051	2.6
147.11705	3.6
149.02385	3.0
149.05995	2.0
151.07561	1.7
155.08540	2.3
156.09351	6.5
157.06490	3.1
157.10162	2.4
161.06023	2.8
161.09633	1.7
161.13258	7.0
163.07535	2.7
165.07021	1.8
166.07811	3.1
169.10155	1.5
171.08139	2.9
171.11697	65.3
175.07550	4.7
181.10172	9.3
189.12759	22.7
199.11186	20.7
217.12254	88.2
227.10696	3.1
235.13257	2.3
245.11708	11.1
263.12799	100.0
264.13062	1.4
280.22775	1.4
281.13849	26.8
292.59674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91845	3.9
55.01864	8.5
55.05519	7.7
57.03461	6.7
58.45244	5.0
67.05508	10.9
69.03427	13.5
69.07082	5.2
71.35651	8.4
71.38148	4.6
79.05509	22.6
81.03455	4.3
81.07044	23.5
85.60489	5.1
91.05482	53.2
93.07056	9.8
95.04963	16.6
95.08597	6.0
97.06520	5.3
103.05469	13.2
105.07036	51.3
107.04964	13.5
107.08608	8.7
109.06531	6.2
115.05463	20.3
116.51732	4.8
117.07055	22.3
119.04958	9.2
119.08602	23.3
121.06494	31.9
128.06219	30.4
129.07021	47.7
131.04915	6.0
131.08560	40.2
133.06488	13.1
133.10060	5.5
135.08075	6.3
137.05957	6.5
141.06970	38.4
142.07759	30.1
143.04848	6.5
143.08565	93.9
145.06496	17.4
145.10138	43.6
147.08046	14.8
147.11635	5.3
149.02324	14.2
150.02693	15.2
151.07579	8.7
152.06218	10.3
153.06999	23.0
154.04935	5.4
154.07739	28.8
155.08545	60.8
156.09445	25.4
157.06526	15.9
157.10158	29.4
158.07283	9.9
159.08063	36.4
159.11772	11.5
160.08852	6.0
161.05963	7.6
161.09630	8.8
165.06970	33.3
166.07840	38.7
167.08583	16.7
169.06496	8.9
169.10124	46.1
170.07249	5.8
171.08055	19.1
171.11710	64.0
172.08830	6.2
173.05997	6.0
173.09634	22.7
175.07558	8.5
176.06244	5.9
177.06906	24.9
179.08543	27.5
181.10132	100.0
182.07249	6.2
184.08839	16.2
185.05997	6.0
185.09782	8.8
187.11208	61.9
189.12727	8.7
191.08603	11.6
194.07027	9.5
197.09639	35.3
199.11206	98.9
201.09177	12.7
203.10689	13.0
205.06494	39.8
209.09724	14.9
215.10719	45.9
217.12239	29.9
219.08186	8.6
222.06506	4.8
223.07529	70.6
227.10681	65.9
233.05977	20.3
233.11795	18.3
237.09064	6.4
245.11740	84.3
249.09106	36.3
251.07047	72.9
252.07742	10.6
263.07013	7.6
263.12753	45.9
265.08450	8.2
280.07013	15.9
280.10452	12.4
280.15741	22.9
280.18906	5.1
281.08069	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
70.12018	0.7
104.39983	0.2
119.05766	0.2
149.02377	0.2
153.07031	0.2
165.06979	1.1
166.07726	0.8
167.08582	0.6
176.06239	0.3
177.07031	1.6
178.07733	0.4
179.08496	0.6
181.06499	0.5
181.10190	1.0
185.13930	0.2
187.56155	0.2
189.06999	0.6
190.07748	0.4
191.08548	1.7
193.06541	0.4
194.07281	6.2
195.08067	1.0
204.05690	0.4
205.06509	5.8
206.07259	3.3
207.08058	1.7
208.08868	0.6
209.09633	3.1
210.06755	0.3
211.07535	0.3
217.06538	0.3
219.08049	1.5
220.08777	0.4
221.06030	1.1
222.06770	13.2
223.07462	0.7
225.09070	0.3
233.05971	2.9
234.06744	1.0
235.07526	0.6
236.08365	0.5
237.09113	68.4
238.06671	0.2
238.09314	1.0
248.08292	0.4
249.09085	1.7
250.06262	2.3
251.07086	0.6
252.07899	0.8
253.08612	0.6
263.07025	0.3
265.08603	83.6
266.08881	1.3
268.51099	0.2
279.10095	0.3
280.10944	100.0
281.08127	1.5
281.11346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03948	1.5
55.01880	1.0
55.05260	0.9
55.05514	11.5
57.03449	1.0
57.07077	4.5
59.76866	0.5
63.78939	0.5
65.03947	3.0
66.04086	0.5
67.05509	98.8
68.05869	0.6
69.07076	11.9
70.77019	0.7
70.77348	0.6
71.04992	1.8
71.08634	0.6
77.03915	0.5
78.42506	0.4
79.05085	0.4
79.05496	15.3
81.07062	100.0
83.04996	1.8
83.08627	5.7
85.06557	1.8
85.18575	0.5
91.05483	8.3
91.06017	0.8
93.07052	15.7
95.04995	1.6
95.08614	82.0
96.01664	0.5
96.08928	0.6
97.06538	1.7
97.10181	3.2
99.08101	0.9
101.06017	0.7
105.07033	9.0
107.08601	12.3
107.09293	0.9
109.06559	1.9
109.10164	49.1
111.08127	1.2
111.11738	1.4
117.07026	2.9
119.08601	6.9
121.02894	1.3
121.06540	1.1
121.10146	10.9
123.08091	2.1
123.11716	27.0
125.09608	0.6
127.07597	0.6
128.06258	0.7
129.07008	0.8
131.08571	6.8
133.10121	5.7
135.08076	2.2
135.11708	7.6
137.09634	1.5
137.13263	8.8
143.08562	1.0
144.09274	0.5
145.10141	8.0
147.11690	3.6
149.02357	22.3
149.09685	1.6
149.13269	4.1
150.02681	0.5
151.11214	1.6
151.14827	3.4
151.79010	0.5
153.09109	0.8
157.10094	0.9
159.11696	6.2
161.13301	4.1
163.11166	2.6
163.14853	2.0
165.12793	1.2
165.16447	0.8
167.10701	0.5
169.10178	0.7
171.11717	0.6
173.09636	0.8
173.13313	4.8
175.14969	1.2
177.12805	2.1
177.16406	0.9
179.14278	0.8
181.12265	1.6
187.14815	3.6
191.14349	2.0
195.13864	3.4
201.16377	6.0
205.16002	1.0
209.15378	5.3
215.10715	0.7
219.05740	0.8
219.17456	3.2
219.21042	0.9
223.16878	2.7
227.42323	0.5
237.18599	1.4
243.17430	0.6
243.21086	3.4
261.18628	0.9
261.22174	5.4
279.09650	1.0
279.13708	1.3
279.19766	4.0
279.23221	40.8
280.23740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03934	2.1
55.01881	4.2
55.05264	1.8
55.05513	22.6
57.03442	5.2
57.07084	10.8
59.04999	0.9
65.03925	4.5
67.05508	91.0
69.03418	3.8
69.07072	34.1
71.04992	8.1
71.08623	1.6
71.36362	1.7
74.11744	1.0
77.03932	1.2
79.05495	34.2
81.07059	100.0
82.56229	0.8
83.04994	6.2
83.08147	1.2
83.08624	14.1
85.02926	1.0
85.06544	7.6
87.89684	0.8
90.90576	0.9
91.05487	17.1
93.07047	38.8
95.04986	5.6
95.08610	88.8
97.02896	1.5
97.06528	9.1
97.10180	6.4
99.08092	2.5
103.05445	0.9
103.29446	1.0
105.07034	21.3
107.04981	1.8
107.07868	1.4
107.08604	27.7
109.06522	3.6
109.10165	40.4
111.04459	1.0
111.08074	3.6
111.11725	3.1
113.09650	1.9
115.05463	3.2
117.07028	7.1
117.51345	0.9
119.08585	15.6
121.02895	3.0
121.06509	3.4
121.09309	1.7
121.10148	23.8
123.08088	3.8
123.11715	20.1
125.09635	3.4
127.07532	1.3
128.06233	1.5
129.06995	3.4
130.89893	0.9
131.08586	11.4
133.06485	5.7
133.10132	11.0
135.08080	5.6
135.11705	20.2
137.09636	3.5
137.13269	8.8
139.11194	1.7
141.06984	2.1
143.08549	2.2
144.09349	1.1
145.06523	1.9
145.10120	11.1
146.07141	1.0
147.08078	1.3
147.11697	12.1
149.02348	58.6
149.09630	2.1
149.13248	8.2
151.07550	5.9
151.11188	2.5
151.14856	2.9
153.06932	0.9
153.12756	2.2
154.07785	2.5
155.08571	1.5
156.09352	1.0
157.10155	1.4
159.08057	2.2
159.11700	11.9
161.05954	2.8
161.09596	1.1
161.13286	9.1
163.07547	1.3
163.11278	1.3
163.14850	3.9
165.06990	1.2
165.12796	2.0
167.03474	1.4
167.08507	1.0
169.10161	3.2
171.11681	1.2
172.08806	1.8
173.09673	2.3
173.11847	1.2
173.13280	7.6
175.07591	1.0
175.14841	2.7
177.12769	2.3
177.16336	1.3
179.14331	2.1
181.04951	3.2
187.11194	5.2
187.13347	1.1
187.14844	3.7
189.05415	1.3
190.07759	1.3
191.07004	1.5
191.08623	1.4
195.13889	1.8
197.09662	2.5
201.09174	1.5
201.16449	2.6
204.05714	1.0
205.06587	1.0
205.08641	1.3
205.12286	1.1
205.15897	2.3
209.15474	2.2
215.10732	9.0
219.08063	9.1
221.06139	1.7
221.08159	3.3
223.16985	1.4
223.20360	1.0
225.09250	1.1
227.10664	1.0
233.11725	2.3
233.22575	1.0
237.22125	1.2
243.10213	4.7
243.21120	9.6
245.11711	1.5
247.07593	7.1
249.05470	1.4
251.10849	1.8
251.23769	1.4
261.11472	2.1
261.22156	29.1
264.07828	2.4
279.10068	10.9
279.12869	1.8
279.23224	78.0
280.23489	1.3
284.07272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.01878	0.6
55.05512	10.3
57.03444	1.0
57.07083	6.5
61.13353	0.4
65.03948	2.9
67.05509	95.4
68.05844	0.5
69.03447	0.6
69.06718	0.7
69.07073	11.1
71.04996	1.2
71.08622	0.9
71.55172	0.5
72.40282	0.3
79.05496	15.5
81.03430	0.5
81.07062	100.0
82.07405	0.6
83.04993	1.3
83.08626	5.9
85.06541	1.8
91.05482	6.3
93.07054	14.5
95.04975	1.2
95.08612	82.5
96.08960	0.4
97.06538	2.3
97.10172	2.9
99.08089	1.1
105.04539	0.5
105.07041	6.7
107.08601	11.2
109.06540	1.5
109.10163	47.9
111.08085	1.1
111.11723	1.5
117.07029	2.5
119.08585	5.4
121.02907	1.8
121.06490	0.9
121.10160	8.8
122.10475	0.4
123.08075	1.7
123.11716	26.3
127.07530	0.6
128.06274	0.5
129.07037	1.2
129.09155	0.4
130.07838	0.5
131.08582	5.3
133.10130	4.6
135.08080	1.5
135.11708	6.2
137.09651	1.8
137.13264	8.9
139.11246	0.6
141.06979	0.5
142.07838	0.5
143.08598	0.9
145.10136	5.4
147.11684	3.1
149.02353	33.1
149.09615	2.0
149.13255	4.0
150.02672	0.7
150.06693	0.4
151.11205	1.5
151.14861	2.9
153.09155	0.8
155.08528	0.7
158.03268	0.6
159.11714	4.6
161.13260	3.2
163.11224	2.0
163.14838	2.4
165.07060	0.7
165.12801	1.3
165.16435	0.6
167.03448	0.7
167.10704	0.9
169.10091	0.7
171.16396	0.4
173.09692	0.5
173.13243	3.4
175.14853	0.9
177.12808	1.9
177.16418	1.0
179.14357	0.7
181.10185	0.5
181.12273	1.3
187.14832	3.5
190.05118	0.4
191.14323	1.4
191.17926	0.4
195.13817	2.3
201.16415	2.7
205.15953	1.0
208.08759	0.4
209.13673	0.4
209.15402	2.5
215.10782	0.8
219.05740	0.8
219.17470	1.6
219.21017	0.7
223.14905	0.7
223.16910	3.3
233.13492	0.4
237.18549	1.7
243.10190	0.4
243.21095	2.9
251.17874	0.4
261.22205	4.5
277.63824	0.4
279.09460	2.4
279.13699	2.2
279.16898	1.0
279.23251	37.0
280.23660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	0.8
55.01875	0.7
55.05511	8.4
57.07080	3.4
65.03944	3.8
67.05506	100.0
69.07069	8.2
69.78413	0.5
71.04999	1.1
71.08614	0.6
71.38046	1.0
79.05061	0.7
79.05499	11.2
81.07059	98.2
82.07344	0.7
83.04966	1.0
83.08620	4.9
85.06556	1.7
91.05489	3.6
93.07043	10.4
95.04966	1.1
95.08608	77.1
96.08938	1.0
96.95712	0.6
97.06524	1.8
97.10173	2.3
99.08101	0.7
105.07033	2.8
107.08599	6.3
108.00577	0.6
109.06532	0.8
109.10159	42.9
111.11716	1.0
117.07008	1.6
119.08552	3.2
121.02885	0.7
121.10137	5.1
122.66868	0.5
123.08093	1.3
123.11708	27.3
127.07580	0.9
131.08577	3.5
133.10138	2.8
135.08096	0.6
135.11691	4.6
137.09610	0.8
137.13255	9.7
139.07535	0.6
145.10167	1.8
147.11678	2.1
147.13492	0.6
149.02342	17.6
149.09645	1.3
149.13260	2.3
151.14810	2.6
159.11725	2.3
161.13266	1.7
163.11235	1.0
163.14845	1.8
165.12758	0.6
173.13167	2.7
177.12796	1.3
179.14304	0.6
181.12267	1.4
187.14812	2.0
191.14296	0.8
195.13869	2.3
201.16429	1.0
202.29378	0.6
209.15367	2.0
219.05710	1.3
223.16924	3.2
237.18565	1.7
239.70522	0.6
243.21176	1.7
257.81683	0.6
261.22052	3.7
273.50858	0.5
279.09326	2.5
279.23230	34.0
280.23499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82808	0.4
52.91444	0.4
53.03932	1.7
55.05507	1.0
57.03424	0.6
57.07083	3.9
65.03937	0.6
67.05501	4.0
69.03435	0.5
69.07063	1.8
69.52635	3.7
77.03959	1.0
78.25202	0.4
79.05521	2.8
81.07063	6.1
83.04967	0.6
83.08635	0.5
91.05481	2.9
93.07049	5.2
95.04971	4.9
95.08600	5.6
99.04405	0.7
105.06403	0.5
105.07048	7.4
107.08604	3.7
109.06523	1.7
109.10176	3.6
117.07001	1.7
119.08578	5.0
121.02862	1.2
121.10155	2.4
123.08082	1.0
123.11649	1.2
128.06242	1.2
128.87244	0.5
129.06995	1.8
131.08556	3.8
133.06480	2.1
133.10146	2.6
135.08031	1.0
135.11696	2.0
137.09607	1.1
141.01024	0.6
142.07819	0.8
143.08560	1.0
145.10109	5.4
147.07985	0.9
147.11647	1.6
149.02351	25.2
153.07014	0.6
154.07788	1.4
155.08527	0.6
157.10118	1.5
159.11702	3.8
161.05865	0.6
161.09634	0.6
161.13258	3.5
163.11159	0.5
167.03448	0.6
169.10161	0.8
171.03619	2.0
171.08093	0.5
171.11658	1.1
173.05174	6.4
173.13196	1.8
175.14754	0.7
181.04942	0.6
181.10132	0.9
183.03564	1.4
183.11597	0.6
191.08586	0.7
191.17928	0.7
191.28918	0.5
201.04654	16.1
201.09035	0.8
201.16386	7.0
208.59035	0.6
215.10753	1.0
219.05716	63.5
219.13799	1.6
219.17479	12.3
220.06058	1.2
221.08105	1.2
233.15260	0.7
237.18588	0.7
243.10094	0.5
247.07672	0.5
251.10793	1.7
261.18359	0.7
279.09344	100.0
280.09818	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	279.1956
Annotation	3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
55.05496	20.2
57.07065	14.8
58.29953	4.5
64.55376	5.8
66.98000	4.5
67.05510	45.5
69.03418	5.7
69.07061	31.2
69.11999	4.3
69.39965	42.2
71.04998	6.8
79.05490	51.0
81.07061	95.7
83.08614	10.6
83.72327	4.6
85.06538	7.8
91.05487	55.4
93.07045	82.7
95.04993	9.9
95.08067	6.5
95.08624	76.4
97.06525	16.9
97.10174	6.2
99.08079	5.7
105.07032	100.0
107.08601	73.4
108.08963	5.5
109.06539	6.0
109.10162	60.0
111.08116	11.2
117.07025	31.8
119.08598	57.6
121.06486	5.8
121.10148	61.8
123.08098	13.2
123.11702	17.3
129.06966	4.6
131.08569	39.4
133.10138	52.8
135.08058	8.8
135.11688	59.0
137.09605	11.8
139.11108	5.1
143.08565	6.0
145.10136	72.7
147.11684	13.5
149.02371	54.8
149.09544	5.7
149.13318	11.1
151.11156	15.1
159.11711	74.9
161.13245	27.4
163.11183	26.3
173.13342	14.1
175.14801	17.4
177.12680	7.7
177.16446	13.7
191.14294	14.3
191.17972	32.6
201.16411	76.4
217.70271	4.7
219.17490	59.3
237.18491	12.2
279.19635	63.0
279.22495	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	279.1956
Annotation	3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03952	4.8
55.05502	19.7
55.40750	4.3
57.07066	18.3
57.91138	4.1
67.05234	4.9
67.05511	53.2
69.07072	36.1
70.80498	13.4
71.04984	5.6
79.05494	31.7
81.07056	89.8
83.04957	5.4
83.08611	13.0
85.06541	9.4
91.05479	36.2
93.07059	57.0
95.04976	8.1
95.08603	66.9
97.06520	12.2
99.08128	8.0
105.07036	49.3
107.08601	56.0
109.06526	7.3
109.10155	41.8
111.08085	5.9
111.11701	5.9
115.05486	4.3
117.07034	35.7
119.08599	42.7
121.06532	7.6
121.10162	54.3
123.08019	6.0
123.11702	13.2
125.09612	7.4
130.07774	10.0
131.08575	35.7
133.10155	41.6
135.11720	29.0
137.09526	7.1
143.08629	6.5
145.10143	90.2
147.11728	10.4
149.02367	100.0
149.09596	8.1
149.13235	12.8
151.11168	8.6
159.11703	63.0
161.13251	28.3
163.11172	11.4
173.13278	10.9
175.14799	10.1
177.12726	11.1
177.16417	5.3
191.17941	18.7
201.16396	64.1
219.17455	38.6
237.18517	7.6
279.19592	33.1
279.23059	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	279.1956
Annotation	Paralemnolin D
Peak:m/z	Relative Intensity
53.03948	5.6
55.05513	8.2
57.71875	5.7
62.00233	6.0
65.12719	5.8
67.05491	17.6
69.07083	13.2
70.63615	6.4
70.89550	14.5
71.04978	7.3
79.05480	26.1
81.07064	52.8
83.08612	7.9
87.79839	5.9
88.53084	5.8
88.57108	6.1
91.05473	25.0
93.07047	53.2
95.08614	74.6
97.10152	7.9
105.07034	94.5
106.12621	6.8
107.08600	83.0
109.10142	25.1
117.06992	22.6
119.08596	64.1
121.10159	51.5
123.11707	8.2
129.06877	7.0
131.08582	64.9
133.10126	51.5
135.08047	8.6
135.11684	57.2
145.10144	78.0
147.11659	7.7
149.02354	57.7
149.13225	7.4
159.11700	66.4
161.13261	55.2
163.14781	11.0
173.13239	19.5
191.17963	34.9
201.16400	100.0
219.17485	45.9
254.04195	5.7
279.19589	7.9
300.10492	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	279.1956
Annotation	9beta-Acetoxy-10(14)-aromadendren-4beta-ol
Peak:m/z	Relative Intensity
55.05510	10.6
57.03417	3.3
57.07090	16.7
65.03931	2.5
67.05513	17.6
69.07067	16.8
69.88674	8.3
71.05006	4.0
71.18902	2.2
72.44972	2.6
75.04516	2.3
79.05491	19.7
81.07069	37.2
83.05013	14.1
83.08609	6.1
83.63714	2.5
85.06531	3.8
87.01986	2.2
91.05485	26.9
93.07059	38.3
95.04952	2.8
95.08614	49.7
97.06543	4.8
98.20658	3.8
99.41293	2.6
105.07038	73.1
107.08597	64.3
109.06528	7.2
109.10172	26.2
111.08077	3.8
117.06998	19.9
119.08588	43.9
121.02811	5.1
121.06499	3.3
121.10152	33.6
123.08082	3.8
123.11716	6.3
124.56526	2.3
129.07001	5.6
131.08568	39.4
133.10138	53.3
135.08063	32.0
135.11691	41.3
137.09604	5.0
143.08556	4.6
144.09329	4.8
145.09035	4.6
145.10136	69.3
147.11729	15.4
149.02354	66.2
149.09612	4.1
149.13257	5.4
157.10196	6.4
159.11716	60.9
159.13036	3.8
161.09633	5.0
161.13252	25.9
163.11183	7.1
171.11780	3.9
171.32326	2.2
173.09647	3.9
173.13263	17.8
175.14897	5.2
177.12753	10.0
183.11780	3.2
185.13266	3.7
187.11104	4.7
191.17949	14.3
201.12808	3.2
201.16400	100.0
205.12177	4.4
211.87033	2.3
215.17967	8.1
216.04337	2.1
219.17467	38.4
225.16434	3.2
237.18718	2.9
243.17450	29.1
261.18491	48.9
279.19592	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	279.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01877	2.0
55.05516	5.5
56.96570	2.5
57.07082	12.8
65.03925	1.2
67.05510	14.7
68.74216	1.1
69.07074	7.5
70.21614	1.1
71.05003	2.0
71.54781	2.0
74.47857	1.5
79.05503	13.5
79.06988	1.1
81.07069	25.2
83.04992	2.2
83.08633	3.1
85.06519	1.5
86.09718	3.2
91.05474	12.3
93.07055	17.9
95.04970	3.3
95.08618	21.9
96.08130	3.6
97.06538	2.4
97.08462	1.8
97.10162	1.1
104.10746	3.6
105.07047	19.9
107.08603	15.2
109.06540	2.4
109.10168	9.9
117.07043	5.3
119.08607	12.9
121.02868	4.7
121.10141	9.5
123.08100	1.9
123.11709	4.1
129.07030	2.8
129.52466	1.4
130.07878	1.6
131.08580	11.4
132.41063	1.2
133.10162	6.2
134.25887	1.1
135.08051	3.3
135.11743	6.4
137.09651	1.3
137.13261	1.8
138.52963	4.9
141.07016	1.4
143.08588	2.5
145.10132	18.0
147.11688	4.7
149.02357	100.0
149.09692	1.5
149.13316	2.6
150.03770	1.2
155.08598	1.7
157.10197	2.1
157.53789	2.4
159.11714	10.8
161.06001	1.9
161.13292	5.3
163.11226	1.5
163.14919	1.2
165.12793	1.3
167.03517	1.5
167.08647	1.3
169.04541	1.4
169.10156	3.7
173.09624	1.8
173.13289	3.8
177.12776	1.2
181.10115	1.6
183.11716	1.6
184.07375	2.9
187.11095	1.6
190.05031	1.4
195.11674	1.8
201.16402	16.5
202.16809	2.4
205.10199	1.8
209.13208	1.7
215.10667	2.2
219.05724	2.3
219.17424	5.0
219.19473	5.2
221.13100	1.4
222.16330	1.3
223.11333	2.0
233.13435	1.5
237.16490	1.4
240.09982	1.5
243.10262	1.7
243.21107	2.2
249.60022	1.3
261.18546	1.8
278.63959	1.6
279.09262	5.0
279.13834	2.7
279.17325	4.0
279.20773	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	279.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40559	4.7
70.85482	4.4
71.33500	8.3
111.83314	4.6
118.53776	5.1
122.81804	4.4
153.15666	5.4
207.03828	5.5
279.04767	100.0
279.16391	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	279.1015
Annotation	Dihydroisotanshinone II
Peak:m/z	Relative Intensity
55.01860	0.6
57.07050	1.4
67.05487	0.3
69.03432	0.3
70.06558	0.3
70.59859	0.7
71.04985	0.3
75.41808	0.4
79.05503	0.6
81.03410	0.4
81.07043	0.6
83.04988	0.4
85.02907	0.4
86.09711	2.3
87.04455	0.3
88.68685	0.3
91.05458	1.1
93.07038	0.5
95.04966	0.6
95.08584	0.4
97.06531	0.3
103.05494	0.5
105.07022	1.2
107.04964	0.5
107.08540	0.4
115.05437	0.7
117.07018	0.5
119.08578	0.5
120.08107	2.6
121.02837	0.6
123.04474	0.3
124.07576	0.3
131.04803	0.3
131.08559	0.5
133.06445	0.4
135.08076	0.4
141.06975	0.5
142.59241	0.3
143.08562	0.3
145.06413	0.3
149.02350	13.4
152.06137	1.4
153.07018	0.8
155.08591	0.4
159.08051	0.6
161.06010	0.5
165.07008	6.4
166.07713	2.7
167.08557	0.9
173.09621	0.5
173.13214	0.4
176.06160	0.7
177.07016	1.2
178.07780	6.9
179.08536	4.7
180.09302	2.4
180.56978	0.3
181.06500	0.9
181.10062	0.3
187.07613	0.4
189.06978	4.1
190.07768	6.9
191.08556	12.3
192.09288	1.1
193.06505	5.2
193.10106	1.0
194.07300	6.8
195.08061	1.5
201.07133	0.4
201.09070	0.3
202.07840	2.0
203.08562	1.1
205.06508	5.0
205.10284	0.4
206.07292	7.7
207.08057	12.9
208.08835	8.6
209.06088	0.5
209.09537	1.2
215.10670	0.4
217.06517	0.8
218.07272	4.5
219.08060	13.5
220.08809	2.5
221.06050	6.2
221.09584	2.4
222.06715	1.5
223.07559	1.1
223.11200	1.7
231.08037	3.2
233.05995	2.2
233.09596	0.6
234.06810	2.6
235.05154	0.5
235.07550	11.8
236.08331	50.1
237.09026	2.8
246.06856	1.0
247.07579	15.2
248.08345	27.5
249.05568	1.7
249.09142	2.5
250.09772	0.5
251.07057	5.9
251.10692	13.9
252.11043	0.3
261.09131	0.9
261.60382	1.0
262.10223	0.7
263.07031	3.5
264.07822	57.1
265.08511	5.2
279.10175	100.0
280.10788	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	278.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.1
55.01865	5.5
55.05512	5.1
60.04530	6.8
67.05510	14.7
69.03422	3.9
69.07067	6.2
70.99251	6.6
74.26043	2.7
78.36494	2.8
79.05495	10.4
81.07069	16.6
82.07395	4.7
83.08590	2.8
85.06545	4.3
87.80312	2.8
90.85378	2.7
91.05486	23.0
93.07060	16.3
95.04962	5.3
95.08617	11.0
96.08944	4.7
99.08079	4.3
103.05470	2.9
105.07050	34.0
107.04929	4.1
107.08614	11.5
109.10184	9.9
110.09621	2.7
115.05422	4.2
117.07044	13.8
119.08595	17.6
121.06499	4.6
121.10139	7.1
123.04385	4.1
128.06216	11.6
129.06998	18.4
131.08649	16.9
133.06516	5.0
133.10121	6.9
135.11690	2.9
141.05499	3.8
141.07011	24.2
142.07756	3.8
143.04912	3.6
143.08601	40.5
144.09421	3.2
145.06544	7.6
145.10118	15.7
147.08044	33.0
149.02365	12.6
151.07460	2.7
153.07033	14.6
154.07793	55.5
155.08563	8.2
156.09340	6.4
157.06555	4.3
159.08083	7.5
159.11697	20.3
161.13242	6.1
165.07054	7.6
166.07727	5.0
167.08583	18.8
169.10138	100.0
171.08040	6.5
171.11736	2.8
173.09677	8.7
178.07811	3.6
179.08542	21.6
182.07269	7.0
187.07558	7.0
187.11206	24.2
189.09099	4.0
197.09648	67.5
199.07600	4.9
199.11151	13.1
200.08301	6.1
201.16368	8.5
202.12253	2.6
214.09845	4.6
215.10670	68.0
219.17390	4.7
224.11551	2.7
225.09074	3.6
235.07225	3.1
243.10205	36.7
250.09024	3.3
261.11276	81.7
261.60452	3.2
263.07144	3.6
269.61624	3.1
278.09427	13.8
278.15042	4.9
278.18079	23.4
278.21268	51.4
278.25577	5.8
291.61633	2.8
296.09695	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	278.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91158	0.4
53.03951	0.8
54.83093	0.4
55.43567	0.4
56.05049	0.4
57.03440	1.1
61.02940	3.0
68.57451	0.4
69.03443	7.5
69.15424	0.4
69.88206	1.6
70.06239	0.7
70.06600	7.7
71.05004	0.7
73.02938	1.6
81.03421	1.9
85.02914	12.5
85.06519	0.4
87.04484	1.6
91.03992	0.7
96.08135	0.8
97.02896	5.2
98.09700	44.0
99.04452	0.8
99.10067	0.5
109.02896	1.7
116.10739	100.0
127.03938	3.2
131.36165	0.4
145.04980	2.2
146.02058	0.5
278.09451	1.8
278.15997	70.8
279.04791	14.1
279.16434	0.7
291.72516	0.4
295.49982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1239
Annotation	Sachaloside V
Peak:m/z	Relative Intensity
53.03957	1.2
53.40141	0.6
55.01872	2.0
55.05522	1.7
56.05025	1.0
56.96568	4.2
57.03439	3.0
57.07063	0.8
58.98411	0.7
59.04993	1.0
59.65529	0.7
61.02931	6.3
67.05505	1.4
69.03435	10.0
70.06602	9.3
70.74494	2.2
71.04990	2.1
73.02921	4.5
75.04460	0.7
81.03416	6.0
82.06590	1.0
83.05023	0.9
84.04526	1.4
84.08138	1.8
85.02915	22.5
87.04462	2.8
91.03952	1.2
96.08121	1.2
97.02895	10.5
97.06536	0.9
98.06062	15.7
98.09703	20.0
98.97587	11.1
99.04458	2.3
99.06893	0.9
101.00877	2.2
102.01008	1.2
109.02879	3.2
110.07127	1.0
110.97575	2.8
112.07571	1.0
113.81602	0.7
114.09221	1.1
115.02456	0.9
115.05123	0.7
116.07104	100.0
116.10741	51.6
116.11610	0.7
116.98624	5.9
119.01961	4.0
120.02007	2.9
121.01646	1.6
127.03935	4.6
128.98599	3.3
130.06561	1.6
130.08655	1.1
131.01877	1.9
132.02005	1.4
132.04417	1.2
133.03471	1.3
134.99712	1.2
137.06030	1.3
142.08696	2.2
143.01917	3.2
144.02045	0.8
145.01704	0.9
145.03436	1.3
145.04944	3.4
146.99695	1.1
149.01208	0.9
149.02332	1.6
149.81172	0.7
153.05797	3.3
155.01962	1.2
157.03484	1.3
157.04790	0.7
157.07561	1.5
158.06056	1.4
158.08148	1.5
158.99643	3.6
159.03281	1.0
161.02979	3.1
161.06709	0.8
162.03116	2.3
164.07095	1.0
169.04539	0.9
170.05266	1.8
170.99713	1.3
173.02963	2.0
174.04503	0.9
175.04385	1.1
175.08707	1.0
176.04901	1.0
176.08092	0.9
177.00729	4.3
177.04298	1.0
177.08580	4.6
181.85539	0.8
185.03053	1.4
185.06729	0.7
189.00699	2.5
195.01752	0.9
196.54671	1.1
202.08191	0.7
203.07724	2.1
207.01797	1.1
222.13179	2.1
232.06468	0.8
232.11797	2.4
233.07307	2.0
237.02931	1.4
242.55930	0.8
245.05087	1.1
260.10361	1.2
278.09848	3.4
278.12717	1.2
278.16022	37.5
296.08865	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	278.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
67.05505	1.6
68.25665	0.9
70.10438	3.9
71.04980	1.0
79.05476	1.3
81.07040	1.5
90.86613	0.8
91.05484	2.3
93.07037	1.2
94.53141	0.8
95.04993	1.0
97.02892	1.1
99.04453	2.1
102.41642	0.9
105.07025	3.7
106.23242	0.9
107.08595	1.7
115.05444	2.1
117.07022	10.6
119.08582	2.1
121.10161	1.2
128.06218	5.4
129.07005	4.7
131.08537	1.8
141.07008	9.1
142.07756	1.3
143.08556	10.7
145.06450	2.5
145.10130	10.6
149.02357	2.4
153.06972	3.5
154.07774	18.8
155.08495	3.8
156.09320	3.8
159.11668	1.8
161.13268	0.8
165.06982	1.4
167.08545	2.7
169.10133	100.0
170.10739	1.7
171.08063	1.7
171.11670	3.0
173.09636	5.7
179.08536	8.1
181.06383	1.4
182.07269	17.2
186.09187	1.0
187.11198	1.4
189.09138	6.8
194.73676	0.8
197.09621	44.4
199.11188	3.7
201.09132	2.3
207.08020	0.9
215.10681	51.7
218.39729	1.1
225.09155	10.4
243.10184	35.2
261.10934	2.1
269.10889	1.0
277.21417	0.9
278.13977	2.7
278.21216	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	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03941	5.5
55.05307	1.3
55.05515	16.2
56.12542	1.1
56.87255	1.2
57.07069	2.1
61.38052	1.1
65.14793	1.1
67.05170	2.2
67.05507	31.9
69.07070	16.2
70.65724	3.8
71.04987	2.4
77.03933	1.8
79.05498	71.7
81.07060	36.2
83.04966	1.3
83.08614	7.6
85.06543	2.2
85.49662	1.1
91.05483	25.3
93.07051	100.0
95.04982	7.5
95.08613	27.7
97.06516	3.3
97.10165	5.1
105.07038	14.0
107.08598	49.4
107.68752	1.2
109.06517	1.6
109.10168	14.9
117.07030	2.9
119.08592	13.1
121.10147	48.6
121.11034	2.5
123.11711	4.5
129.07018	1.9
131.08548	3.9
133.10141	12.5
135.08006	2.1
135.11697	49.7
143.08502	1.9
145.10103	3.6
147.11693	7.7
149.13274	24.7
159.11736	2.4
161.13269	5.1
163.13620	1.2
163.14842	8.2
171.11700	2.2
173.13268	2.5
175.11183	1.8
175.14780	2.7
185.13235	3.1
189.12839	1.6
195.13803	1.9
207.13858	2.9
213.16458	2.7
221.15462	3.0
235.16881	4.6
241.19614	2.3
259.20560	2.8
277.21643	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.09436	1.3
53.03938	5.0
55.01867	2.7
55.05517	21.7
57.03417	2.4
57.07069	4.5
65.03936	2.8
67.05508	48.3
69.07075	14.8
70.81345	1.9
70.81661	3.0
71.04980	3.5
71.08634	24.3
75.58102	1.5
77.03925	2.1
79.05498	68.2
81.03410	3.7
81.07063	55.3
83.04979	6.1
83.08633	10.1
85.06543	1.7
90.39803	1.5
91.05482	32.4
93.07050	100.0
95.04982	10.1
95.08611	39.3
97.06538	4.5
97.10178	4.6
99.08106	14.1
103.01862	1.4
105.07036	21.5
107.04951	4.3
107.08600	57.8
109.06509	3.6
109.10158	14.6
117.07043	3.0
119.08578	15.6
121.06528	1.7
121.10153	45.5
123.08064	2.0
123.11731	3.3
127.32989	1.4
129.07008	1.7
131.08601	5.7
133.10135	11.9
135.08060	2.0
135.11699	59.5
137.09608	3.4
139.11198	1.6
143.08505	2.0
145.10126	5.9
147.11684	9.2
149.13275	19.9
151.11176	8.1
159.11714	5.3
161.09641	1.9
161.13316	9.0
163.11211	3.0
163.14836	4.5
167.10712	2.4
171.11691	2.8
175.14882	1.9
177.12781	2.8
179.14326	29.0
181.12247	2.4
185.13275	3.7
189.12816	2.8
195.13838	2.3
199.14819	2.9
207.13846	2.0
209.15439	1.5
217.15939	1.6
221.15413	3.9
235.17018	4.0
241.19514	2.6
243.06917	1.4
259.20609	3.7
261.46194	1.5
277.21680	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03929	4.3
55.05518	14.3
57.07058	3.0
58.54537	1.1
67.05180	1.8
67.05507	26.3
69.07067	13.4
70.81831	3.5
72.60433	1.2
77.03939	2.4
79.05496	63.7
79.05965	3.1
81.07062	30.8
83.08636	6.8
85.06520	1.8
91.05482	29.2
91.42574	1.2
93.07048	100.0
95.04978	5.8
95.08611	24.6
97.06518	1.6
97.10168	4.8
99.08110	1.2
100.38484	1.2
105.04518	1.7
105.07043	12.5
107.08600	48.5
109.06533	2.4
109.10165	13.2
109.14915	1.2
117.07053	2.1
119.08595	10.9
121.10153	41.6
121.11032	2.6
123.11733	2.5
129.06978	2.7
131.08556	3.8
133.10156	11.6
135.07973	1.1
135.11700	53.7
143.08557	2.1
145.10107	5.4
147.11684	7.7
149.09627	3.0
149.13271	20.2
159.11713	2.3
161.13324	2.7
163.11147	2.1
163.14813	5.9
171.11713	2.3
173.13271	2.8
175.14815	1.7
185.13210	1.3
193.12318	1.7
199.14865	1.5
203.14229	1.6
207.13838	2.2
213.16389	2.1
221.15359	3.6
235.16911	5.1
241.19446	2.2
251.54152	1.3
259.20535	2.9
277.21640	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.60651	1.2
51.02382	1.4
52.33860	1.3
53.03942	4.6
55.01878	13.1
55.05268	1.6
55.05516	25.8
57.03433	2.1
57.07070	5.7
65.03954	3.0
67.05511	51.7
69.03420	2.6
69.07075	18.9
70.73044	2.3
70.73367	2.3
71.05016	2.7
71.08643	14.6
73.45638	1.3
78.04697	1.3
79.05500	50.7
81.03421	5.0
81.07061	49.8
83.04990	7.2
83.08630	16.2
85.06537	4.4
85.10163	2.0
91.04909	1.6
91.05489	40.3
93.07053	71.0
94.04208	1.6
94.07312	1.3
95.04979	14.1
95.08044	2.5
95.08615	30.4
97.06532	8.3
97.10172	4.8
99.08101	11.5
103.05473	1.7
105.07037	25.9
107.04948	8.8
107.08607	35.6
109.06539	7.6
109.10165	19.5
111.08098	11.5
113.09625	3.2
115.05452	2.7
117.07024	5.6
119.05009	1.5
119.08598	18.8
121.06509	6.2
121.10149	22.5
123.08084	4.1
123.11701	4.4
125.09639	5.8
128.06187	1.8
129.07018	4.5
130.04185	2.3
131.04929	2.4
131.08585	7.8
133.06509	1.9
133.10147	17.6
134.06149	1.5
135.08054	7.2
135.11711	23.2
137.05989	2.3
137.09648	4.2
137.13309	1.5
139.11223	2.5
141.12761	3.6
142.07770	1.9
143.08588	8.0
144.05711	1.6
145.06517	1.6
145.10155	9.4
147.04407	4.4
147.08064	4.4
147.11694	16.5
148.04733	1.8
149.02379	2.8
149.09644	3.9
149.13264	16.6
151.11214	10.2
153.12820	1.7
157.06454	2.0
157.10168	4.4
159.11703	5.5
161.09634	4.7
161.13290	12.3
162.05516	2.8
162.06799	5.0
163.11206	14.7
163.14819	7.6
165.12776	6.3
169.12148	1.7
171.06245	3.9
171.11700	6.9
173.13275	4.4
175.07553	3.1
175.11217	4.0
175.14856	4.9
177.12672	1.6
179.14323	4.4
185.13255	4.4
186.06459	1.4
187.07529	7.6
187.14828	1.5
187.57660	3.1
189.09140	2.8
189.12817	2.7
193.15851	2.4
199.14908	4.1
203.14363	2.3
204.16505	1.5
207.08086	1.8
207.13832	3.9
208.08798	2.1
217.19577	2.2
220.08650	1.6
221.15404	5.6
231.17444	2.8
231.21027	4.2
235.16963	2.6
241.19501	8.3
249.22162	3.6
259.17056	4.0
259.20670	12.3
268.10922	3.9
268.60968	4.8
277.09604	1.9
277.17929	16.1
277.21652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01864	1.3
55.05510	3.1
57.07058	1.8
62.85571	0.5
65.03895	0.7
67.05508	5.9
69.03416	1.5
69.07084	3.8
71.04982	1.5
71.57475	1.1
76.79783	0.5
79.05501	6.5
81.07066	8.7
83.04977	1.6
83.08614	1.6
85.06538	1.0
91.05484	8.2
93.07056	10.3
95.04948	3.2
95.08076	0.6
95.08617	7.8
97.02873	1.5
97.06547	1.3
97.10162	0.6
99.04454	2.5
102.04714	0.6
103.05478	1.1
105.06378	0.8
105.07035	9.9
107.04953	2.3
107.08591	9.1
107.25297	0.6
109.06511	1.9
109.10188	4.1
111.04448	0.5
111.08090	1.1
115.05424	2.0
117.06995	2.6
119.04906	1.6
119.08604	4.5
121.06490	1.8
121.10159	6.2
123.04440	0.9
123.08057	1.2
123.11713	2.0
125.09674	0.6
125.55434	0.6
127.07551	0.9
128.06250	2.7
129.06999	2.8
130.04175	1.3
131.04922	1.9
131.08604	3.4
133.06496	1.1
133.10139	4.0
135.08046	2.9
135.11717	4.7
137.05966	1.4
137.09608	0.7
140.45271	0.5
141.06953	1.6
142.07816	3.7
143.04913	0.8
143.08568	10.1
143.47746	0.6
144.05829	0.6
145.06409	0.7
145.10136	2.7
147.04430	2.6
147.08047	2.5
147.11705	3.5
148.04710	0.6
149.02313	0.6
149.09622	1.7
149.13289	2.7
151.03897	0.6
151.07541	1.3
151.11165	1.1
153.06989	1.3
155.08543	1.7
156.09340	4.6
157.06534	3.4
157.10155	4.3
159.11714	2.9
161.05975	1.0
161.09631	1.6
161.13217	2.0
162.05530	2.0
162.06776	2.3
163.11182	0.9
163.14867	1.7
165.07024	2.3
165.12799	0.7
166.07730	1.7
167.08498	0.8
169.10127	1.0
170.07268	0.7
171.06255	1.6
171.07921	1.0
171.11681	11.0
173.13246	1.3
175.07507	1.1
175.11176	2.0
175.14828	1.0
177.12807	1.0
178.07808	1.0
179.08536	1.1
179.10654	0.6
181.06499	1.0
181.10156	4.8
185.09619	2.5
185.13318	1.3
187.07553	4.4
187.57614	2.2
189.06958	0.7
189.08788	0.6
189.12715	1.3
189.16379	0.8
191.08540	1.9
192.09305	1.7
193.09900	0.8
195.08090	0.6
196.08881	0.6
199.11229	4.3
199.14854	1.8
201.16394	2.2
203.14381	1.0
205.06505	0.6
206.07135	0.7
207.08095	1.1
207.13736	0.9
208.08783	1.2
209.09552	1.2
210.06685	0.6
211.07570	0.7
213.09164	2.8
213.16418	1.3
215.10593	0.7
217.12346	0.7
217.15842	1.3
219.08055	0.9
220.08669	1.0
222.08585	0.7
223.07684	0.6
227.10664	1.6
231.10164	1.8
231.13741	0.7
231.17418	0.9
235.16963	1.5
236.08328	1.4
237.08794	0.7
238.09814	1.9
238.60066	1.1
241.08517	1.0
241.15851	1.2
241.19556	1.7
245.11606	1.7
249.16382	0.6
252.09662	1.9
259.09808	2.8
259.13354	1.3
259.16891	4.5
259.20648	2.6
260.59671	1.4
268.11020	2.7
268.60904	1.7
277.17764	100.0
277.21518	12.2
278.18115	1.4
287.64377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1437
Annotation	Scorpioidin
Peak:m/z	Relative Intensity
52.12200	1.9
53.03962	4.5
55.01866	4.0
55.05518	13.1
57.03426	6.1
57.07083	3.9
58.06594	7.6
58.48432	1.9
59.56833	2.3
65.03949	7.3
67.05515	19.7
69.03439	16.9
69.07094	13.7
71.04977	3.2
71.56091	2.1
71.56509	3.4
78.04733	2.5
79.05503	17.6
81.03427	4.3
81.07069	22.6
83.04993	11.6
83.08604	2.7
85.02870	2.2
85.06547	5.0
91.05487	35.5
93.03415	4.7
93.07044	25.3
95.04978	11.7
95.08625	19.4
97.02921	2.8
97.06532	5.5
99.04492	3.1
99.08118	5.3
103.05473	5.1
105.07040	32.2
106.20749	1.9
107.04966	8.8
107.08616	29.1
109.02876	2.9
109.06534	10.7
109.10159	9.9
111.04426	3.8
111.08140	2.7
115.05492	12.4
116.06303	2.9
117.07047	22.7
118.04169	2.6
119.04925	6.8
119.08589	100.0
121.06512	9.9
121.10130	12.9
123.04424	4.6
123.08081	4.8
123.11742	4.3
125.05979	7.8
125.09617	3.7
126.45430	2.1
128.06230	18.6
129.07027	18.7
130.04175	5.9
130.07756	4.2
131.04938	6.0
131.08578	17.2
133.06499	6.7
133.10121	16.9
135.04437	2.5
135.08064	21.5
135.11746	6.6
137.05960	5.7
137.09561	5.2
138.64418	2.2
139.03905	5.1
141.07045	8.9
142.07745	11.2
143.04927	7.5
143.08574	36.3
143.69197	2.2
145.06514	10.2
145.10136	67.3
147.04451	14.9
147.08047	11.5
147.11703	12.3
149.05965	3.2
149.09662	6.0
149.13295	2.9
151.03967	2.1
151.07579	9.0
151.11197	4.4
153.05496	7.7
153.06995	4.4
155.08548	13.9
156.05757	2.8
156.09373	42.5
157.06519	14.3
157.10159	19.6
157.16597	2.2
158.07315	6.1
158.10773	2.3
159.08089	10.3
159.11694	7.1
161.05992	7.9
161.09628	12.7
161.13257	9.1
162.06781	14.0
163.07512	5.8
163.11194	6.7
165.07021	11.9
166.06557	2.1
166.07767	13.8
169.06543	5.1
169.10104	5.1
171.06306	3.3
171.08058	13.2
171.11702	77.4
171.56358	2.9
173.06009	3.5
173.09631	49.5
173.13304	6.1
175.07637	11.9
175.11185	11.2
175.14876	2.8
178.07742	3.8
179.08459	3.8
181.06595	2.6
181.10127	30.6
183.08064	10.7
183.11545	2.6
184.08853	19.5
185.05968	3.4
185.09618	3.1
185.13301	2.7
187.07574	29.1
187.11235	4.4
187.57742	8.8
189.09103	7.0
189.12744	14.5
191.08580	6.6
191.10706	3.6
192.09296	5.0
194.07288	4.3
195.08185	3.2
197.09558	2.8
199.07602	15.5
199.11197	92.1
201.09235	3.2
201.16368	2.6
203.10664	6.3
203.14316	3.6
205.06564	2.6
207.08098	3.0
208.08792	8.4
209.09625	20.1
211.07701	3.6
212.08308	9.5
213.09126	4.5
217.12251	60.1
221.09679	3.1
227.10710	43.1
231.10272	4.0
231.13794	18.2
234.06779	4.5
235.07539	2.6
236.08319	4.2
237.09067	3.1
238.09865	6.1
245.11734	21.0
249.08920	3.1
249.14876	5.6
252.09738	12.2
252.59694	4.5
259.09796	2.9
259.13364	8.2
259.16956	4.4
259.20569	3.6
260.59781	3.9
263.06976	2.2
263.20676	2.1
268.10983	20.1
268.61060	5.6
277.08273	5.5
277.11212	3.7
277.14420	70.5
277.17795	8.2
277.21545	9.9
278.09402	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	277.1436
Annotation	Methyl hypocretenoate
Peak:m/z	Relative Intensity
50.58594	1.6
51.68262	1.5
55.01873	2.4
55.05502	4.8
55.99173	1.5
60.05923	1.5
62.13845	1.5
65.03949	4.2
67.05500	10.1
69.03410	4.8
69.07045	2.2
70.81171	3.6
70.81522	1.9
73.93071	1.5
74.99586	1.5
76.86499	1.4
78.23518	1.5
79.05504	7.8
81.07065	5.3
83.04983	7.7
91.05473	10.7
93.07050	6.9
95.04982	11.9
95.08608	4.5
105.07021	8.0
107.08609	12.2
109.06544	1.9
109.10154	1.8
113.00665	1.6
115.05447	2.3
117.06976	2.2
119.04929	3.5
119.08569	9.6
121.06525	6.1
121.10123	3.9
123.04406	3.8
128.06255	3.4
129.06990	6.8
131.08565	3.5
133.10156	3.7
135.08063	100.0
135.11629	2.5
141.06956	4.1
142.07794	4.7
143.08582	7.6
145.06459	7.2
145.10109	7.4
147.04405	3.7
147.08070	22.4
147.11812	2.5
149.02322	5.4
149.09615	7.2
153.01187	1.7
155.07043	3.3
155.08525	5.7
156.09337	7.2
157.06451	2.4
157.10103	6.9
158.07236	4.0
159.08063	11.7
159.11674	2.6
160.08827	8.2
161.05989	8.4
161.09618	5.3
162.06750	2.3
163.07658	2.2
165.07005	5.2
166.07777	7.0
169.06468	7.9
171.08047	8.1
171.11685	9.5
172.08969	3.1
173.06084	2.1
173.09628	41.4
174.10353	2.1
175.07535	7.1
175.11151	5.6
181.04976	1.7
181.06505	1.7
181.10098	8.1
183.08083	6.6
184.08868	25.6
185.09590	3.0
187.07527	6.3
187.11197	6.9
189.09082	11.8
189.12769	17.1
197.05984	2.0
197.09541	2.6
199.11191	94.0
200.11778	2.0
201.12744	7.4
203.10698	6.9
209.09625	14.3
212.08299	14.5
217.12276	17.8
227.10687	67.1
227.12938	3.7
229.08769	2.4
235.13284	4.6
238.09624	2.2
245.11737	91.1
252.09500	2.4
259.13312	12.3
268.10825	2.7
277.14337	5.3
277.17871	5.8
277.21411	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03945	3.4
55.01876	5.3
55.05517	28.0
57.03428	2.4
57.07082	1.2
58.03865	0.7
59.04992	1.2
65.03933	1.9
67.05511	35.4
69.03425	1.6
69.07074	11.6
71.04986	2.7
77.03944	1.3
79.05502	51.8
81.03435	1.2
81.07063	26.7
83.04979	3.4
83.08611	6.2
85.06532	2.1
91.05489	40.0
93.07054	30.0
95.04990	5.3
95.08618	11.9
97.06509	1.9
97.10186	6.0
103.05436	1.9
105.04561	1.1
105.07040	50.8
107.04968	28.6
107.08606	33.5
109.06532	2.8
109.10162	18.3
111.08075	2.2
115.05482	2.0
115.30775	0.8
117.07030	14.3
119.08596	36.5
121.06499	2.9
121.10167	13.8
123.08069	2.2
123.11713	2.6
125.09625	7.2
129.07047	3.8
130.07819	1.1
131.08575	18.5
133.06485	1.5
133.10144	34.1
135.08064	6.8
135.11667	3.8
137.09636	1.7
141.06989	2.2
143.08571	3.2
145.10149	15.6
147.08011	1.5
147.11703	22.2
149.09637	54.9
149.13300	1.1
153.09145	1.9
153.66110	0.9
155.08586	2.3
155.10712	1.5
157.10138	4.0
159.11719	11.0
161.09657	1.2
161.13274	8.4
163.11163	2.1
167.10696	1.3
169.10110	1.9
169.12299	3.7
171.11681	3.2
173.11761	3.1
173.13254	4.7
175.11203	0.9
177.12735	1.2
183.11710	2.5
187.11185	2.3
187.13321	1.5
187.14783	1.8
193.12276	0.9
197.13231	2.6
201.12755	1.7
201.16324	1.2
205.12292	1.2
211.14877	1.2
211.87120	0.7
213.16379	1.1
215.14340	1.1
215.18025	2.2
219.13904	0.9
229.19569	9.3
233.15256	1.7
239.18036	4.4
247.20694	1.8
257.19046	19.3
275.20093	100.0
276.20325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03922	2.1
55.01860	4.1
55.05516	14.9
57.03417	1.9
58.54258	1.0
65.03926	1.8
67.05168	1.6
67.05509	22.9
69.06780	1.0
69.07074	10.0
70.33000	2.2
70.33367	2.3
71.04967	3.1
73.06560	1.1
79.05492	25.1
81.07056	29.2
83.04975	3.7
83.08606	5.0
84.68024	1.0
85.06531	1.9
91.05485	48.2
93.07047	24.5
95.04967	5.2
95.08611	16.4
97.06547	4.9
97.10126	2.5
103.05464	2.2
105.07032	55.3
107.04974	5.9
107.08601	17.6
108.66100	1.1
109.06507	4.6
109.10158	8.7
111.04498	1.8
111.08023	2.2
115.05439	2.0
117.07017	10.4
119.04943	18.6
119.08586	37.1
121.06515	5.1
121.10147	10.3
122.07281	1.3
123.08080	2.5
123.11692	1.5
125.09590	2.0
128.06177	1.0
129.07042	5.1
130.07832	1.3
131.08572	16.5
133.06418	1.2
133.10132	38.2
135.08064	4.3
135.11676	4.3
137.09613	5.4
141.06984	2.4
143.08563	2.5
144.09299	1.1
145.10126	15.1
145.75739	1.0
147.04414	60.1
147.07980	1.9
147.11702	23.1
149.09654	7.0
149.13286	1.9
151.11194	4.2
153.06964	1.3
155.08536	4.0
157.10123	4.5
159.11682	7.6
161.09641	1.6
161.13284	5.2
163.11177	6.9
165.12721	2.0
167.08481	1.1
169.10097	2.9
171.11719	2.9
173.13284	5.7
175.11159	1.3
177.12764	3.0
179.14345	1.7
183.11726	2.5
185.13396	1.1
187.14850	1.2
189.12720	2.0
191.14366	1.4
196.04160	1.1
197.13251	2.6
199.14807	1.1
201.12761	2.0
205.12289	1.1
215.14362	1.0
229.12291	1.1
229.19505	2.9
239.17946	7.7
239.87488	1.3
247.16461	1.3
247.20599	2.8
257.19025	12.9
275.20065	100.0
276.20456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.61929	0.7
53.03942	1.0
55.01878	1.2
55.05514	7.7
57.03418	0.7
57.07072	0.9
58.06601	1.0
60.04905	0.6
66.67568	0.6
67.05514	6.7
68.85596	0.6
69.03430	3.8
69.07072	6.5
70.73099	1.6
70.96912	0.6
71.04986	3.6
79.05492	7.9
81.03394	1.4
81.07062	10.1
83.04987	9.6
83.08607	2.0
85.06550	11.2
91.05482	9.9
93.07056	11.2
95.04962	2.7
95.08611	14.5
97.06522	2.5
97.10163	1.1
102.04620	0.7
105.06390	1.1
105.07040	14.7
107.04958	1.7
107.08597	13.2
109.06516	2.3
109.10168	5.0
111.08073	3.1
113.09658	8.4
115.05450	0.9
117.07031	4.1
119.04977	3.9
119.08601	14.2
121.06525	4.7
121.10150	12.8
123.08083	4.2
123.11700	1.7
125.09673	1.7
128.06190	1.1
129.06999	2.1
130.07809	1.0
131.08575	7.7
133.06480	1.0
133.10139	16.4
135.08070	8.0
135.11699	4.2
137.09621	6.2
139.11176	0.8
140.47478	0.7
142.07799	1.5
143.08548	5.0
144.09361	1.1
145.06496	1.4
145.10124	12.1
147.04414	6.4
147.08054	10.4
147.11703	7.6
149.09625	3.3
149.13272	1.5
151.03947	0.9
151.11208	1.6
155.08534	1.6
157.10149	4.8
158.10960	0.9
159.08043	2.9
159.11694	13.3
161.09631	5.2
161.13243	1.8
162.10371	2.4
163.11197	11.2
169.10152	2.9
171.11697	3.2
173.09612	3.0
173.13275	15.4
175.11230	4.3
175.14850	4.3
177.09135	1.0
177.12766	2.1
183.11713	3.1
185.13231	1.6
187.11221	4.0
187.14854	2.0
189.12816	2.1
189.16476	1.6
190.13564	1.5
191.10596	0.7
191.14296	4.3
197.13287	2.7
199.14842	6.1
201.09100	1.6
201.12718	5.7
205.15849	1.2
213.16315	1.2
215.14340	2.8
215.17950	3.7
217.15877	14.6
219.13870	1.5
229.19522	1.9
233.15468	0.8
239.17976	2.6
257.19025	13.0
262.10742	0.7
267.09683	0.8
275.20074	100.0
276.20215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.36842	0.8
53.03946	2.1
55.01860	2.0
55.05518	14.1
57.03411	0.8
57.07069	1.4
65.03931	1.6
67.05177	1.0
67.05511	17.9
69.03429	0.8
69.07066	8.2
69.49189	0.7
69.92481	4.2
70.06588	1.3
71.04984	2.0
72.94085	0.7
77.23283	0.8
77.83059	0.7
79.05061	1.3
79.05495	17.2
81.07059	21.2
83.04988	1.7
83.08617	6.5
85.06542	1.8
88.07631	2.6
89.07980	1.3
91.05484	42.3
93.07048	17.4
95.04973	2.3
95.08613	11.1
97.06494	2.6
97.10168	2.4
103.05467	1.6
105.07037	64.8
106.08654	1.2
107.04961	2.3
107.08592	13.0
109.06553	1.5
109.10166	6.6
111.08083	1.3
115.05501	0.9
117.07021	11.1
119.08586	35.6
121.06516	2.0
121.10172	6.1
123.08085	1.6
123.11716	1.1
125.09653	1.1
129.06998	2.7
130.07779	1.0
131.08574	15.4
132.09253	0.8
133.10135	43.9
135.08046	2.8
135.11707	3.4
137.09622	1.3
141.06967	1.4
142.07744	0.9
143.08571	3.0
145.10136	19.0
146.10881	1.0
147.04436	1.4
147.11694	25.2
149.09637	5.0
149.13200	0.9
151.11137	0.7
155.08569	2.8
157.10147	2.5
159.11703	9.7
161.09673	1.0
161.13277	6.7
163.11168	1.8
164.41962	0.7
165.19966	0.8
169.10225	2.0
171.11671	3.3
173.13293	3.1
175.11206	1.5
177.12810	0.9
183.11710	3.2
185.13258	1.5
187.11235	0.9
187.14844	1.3
193.12320	0.8
195.41425	0.7
197.13243	3.2
201.12807	1.0
205.12302	0.8
211.14877	1.5
229.15837	1.2
229.19574	1.3
233.15385	1.0
239.17883	4.9
247.20474	0.9
257.19040	10.6
257.26657	1.3
275.20074	100.0
275.27759	23.8
276.20343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.88784	0.7
53.03938	1.6
55.01858	2.5
55.05511	12.7
57.03437	1.2
57.07081	1.6
63.98702	0.7
65.03935	1.4
67.05507	14.6
69.03412	1.0
69.07070	10.5
70.96638	0.8
71.04985	1.7
71.56178	1.5
77.03897	0.7
79.05064	1.4
79.05497	19.2
81.03400	1.0
81.07058	19.0
83.04987	4.7
83.08645	4.6
85.06536	1.3
91.05484	44.5
93.07050	16.8
95.04972	3.5
95.08618	13.3
97.06522	2.6
97.10149	2.4
103.05477	1.4
105.07036	56.7
107.04945	5.1
107.08596	13.5
107.34391	0.8
109.06507	3.0
109.10163	4.5
111.04435	1.2
111.08057	1.6
113.05948	0.9
115.05428	0.9
117.07014	12.1
118.07808	0.9
119.04955	11.4
119.08586	36.1
121.06497	2.7
121.10151	9.0
123.04429	1.6
123.08060	1.8
123.11729	1.7
128.06195	1.1
128.07112	0.8
129.07018	3.0
130.07780	1.0
131.04871	0.8
131.08572	15.6
132.09395	1.0
133.06456	1.8
133.10133	32.4
135.08086	3.9
135.11725	4.1
137.05908	0.9
137.09608	1.7
139.13229	0.9
141.07007	2.4
142.07768	1.4
143.08560	3.4
145.10135	14.4
146.10890	1.2
147.04416	35.3
147.08055	2.5
147.11690	23.5
149.09624	5.7
149.13278	1.8
155.08519	3.0
157.10121	3.4
159.08023	2.0
159.10457	1.0
159.11713	12.3
161.09604	2.6
161.13280	6.2
163.11194	3.0
165.09097	0.8
169.05109	1.6
169.10136	2.2
171.11734	4.0
173.09645	1.9
173.13225	5.9
175.11180	2.1
177.12718	1.1
183.08121	0.8
183.11691	2.9
185.09592	1.1
185.13280	1.8
187.07574	2.3
187.11211	2.1
187.14815	1.5
193.12175	0.8
197.13248	3.2
199.14816	1.2
201.09113	0.9
201.12744	1.2
201.16321	0.9
213.16315	0.9
215.14293	1.5
215.17899	1.8
217.15880	0.7
219.13741	1.1
229.15907	1.0
229.19543	1.6
233.15443	1.3
239.17979	3.7
247.20493	2.4
257.19043	8.6
275.09378	1.7
275.16351	10.6
275.20084	100.0
276.20334	1.0
281.24881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.86182	1.1
52.05886	1.0
53.03940	2.7
55.01870	2.5
55.05518	14.9
57.03436	1.9
65.03951	2.7
65.89781	1.0
67.05513	19.4
69.03430	2.5
69.07082	9.1
71.04990	3.2
71.54856	1.2
79.05503	22.2
80.65559	1.1
81.03436	1.2
81.07067	26.1
83.04978	3.3
83.08617	5.0
85.06541	2.3
91.05486	62.9
93.07056	20.4
95.04428	1.2
95.04980	4.0
95.08615	16.8
97.06550	3.0
97.10152	3.0
99.08125	1.3
103.05473	2.7
103.65862	1.0
105.07040	73.6
106.29898	0.9
107.04980	7.5
107.08604	15.9
109.06503	3.7
109.10168	4.8
111.04456	2.5
115.05464	1.7
117.07038	15.1
118.07810	1.6
119.04949	22.5
119.08591	39.7
119.54294	1.2
121.06522	4.2
121.10110	7.3
123.08047	2.9
123.11687	1.1
125.09642	1.7
128.06256	2.1
129.07022	6.1
131.08568	24.6
133.06535	1.6
133.10141	53.8
135.08063	4.4
135.11725	3.9
136.88884	1.1
137.05991	2.4
137.09569	1.8
141.06995	3.3
142.07771	2.5
143.08568	3.4
145.10133	21.8
147.04419	74.6
147.08104	2.5
147.11699	23.7
149.09616	10.4
153.07004	1.3
155.08578	5.6
157.10144	7.7
159.08058	3.5
159.11707	12.7
161.09660	3.6
161.13234	6.6
163.11160	2.6
167.41603	1.4
169.10107	4.1
171.11708	6.1
173.09634	3.0
173.13239	6.7
175.11221	3.2
175.14807	1.3
182.10928	2.1
183.11729	4.5
185.13385	2.3
187.11104	3.0
187.14841	4.6
189.12718	1.4
193.12236	1.7
193.57495	1.2
197.13324	4.7
199.14763	2.5
201.09152	1.6
201.12822	3.0
211.14835	1.8
215.14352	6.7
215.17859	1.2
216.50041	1.2
217.15800	1.7
229.12347	1.1
229.16006	2.1
229.19400	1.9
233.15398	3.0
239.17958	4.0
251.99982	1.1
257.11737	1.2
257.15295	1.8
257.19019	8.6
275.09781	2.3
275.13538	3.7
275.16220	99.1
275.20081	100.0
276.16653	1.9
276.19958	2.6
289.47488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Methysticin
Peak:m/z	Relative Intensity
53.03944	2.1
55.01873	10.1
61.02900	1.3
63.50050	1.2
65.69115	1.7
67.05505	1.6
68.99783	5.5
69.03422	9.2
70.06584	1.6
71.04996	30.0
71.56078	2.4
75.19274	1.3
77.03889	1.4
79.05486	2.9
80.77991	1.3
81.03403	1.7
81.07056	2.4
84.08122	1.4
85.02898	6.4
89.06012	3.5
91.05476	7.6
95.05003	1.9
97.02876	1.8
99.04479	2.2
103.05469	4.2
104.06261	1.5
105.07022	3.2
107.04959	3.9
109.02908	2.2
111.00806	2.6
114.05540	1.6
115.05457	26.5
116.06221	4.6
117.05498	20.5
117.07001	6.5
118.04153	3.7
119.04942	3.7
121.02872	2.9
121.99557	1.6
122.03728	1.4
123.04435	4.2
127.05441	1.6
128.06233	8.7
129.03346	5.3
129.05496	2.8
129.07013	12.6
129.93475	1.3
130.07782	2.8
131.04942	11.1
131.08545	4.8
132.05763	9.6
133.06458	1.7
135.04419	4.3
137.05960	3.9
139.03825	2.2
140.06116	2.4
141.07002	58.4
143.04921	10.7
143.08574	1.9
144.05719	12.8
145.06514	13.1
146.03668	12.0
147.04393	5.2
149.06024	2.2
152.06227	1.8
153.07097	3.0
154.74231	1.6
155.04887	9.7
155.05971	2.3
155.08516	3.2
157.02892	9.4
157.06499	18.2
158.07289	11.9
159.00752	1.7
159.04445	6.2
159.08086	10.1
160.05226	10.6
161.06017	21.2
162.03050	2.5
162.05428	2.1
163.03922	7.0
165.05542	3.5
165.06976	4.5
167.03427	15.3
167.04800	2.8
168.05745	12.9
169.06497	53.6
170.07283	3.4
171.04440	21.9
171.11800	2.1
172.05215	6.5
173.05998	10.7
173.09607	3.1
174.03093	3.9
174.09143	1.7
175.03883	3.1
175.07547	10.5
176.04665	2.8
177.05498	9.1
179.03430	2.8
179.07040	1.6
183.04416	4.1
183.08098	6.4
184.05246	2.3
185.06013	11.6
186.03123	1.7
186.06772	26.0
187.03947	3.5
187.07513	20.4
188.04655	4.3
189.05472	29.7
190.06232	5.0
191.03397	22.4
191.04919	2.1
191.05258	1.9
191.07030	21.9
196.05226	6.6
197.05984	45.3
197.13208	2.4
198.06767	5.3
199.03925	11.3
199.07405	1.6
200.04660	13.0
201.05463	10.9
201.09163	14.9
203.03371	8.5
203.07057	18.0
203.11787	2.2
204.07829	6.8
205.04985	3.9
205.08667	5.1
207.04430	1.7
211.07445	9.1
213.05510	6.1
214.02832	2.2
214.06247	16.8
215.03717	2.0
215.07028	42.2
215.14320	1.9
216.04149	2.4
216.07843	1.7
217.04976	8.5
219.10078	1.8
225.05467	6.2
226.06265	3.8
229.05022	11.9
229.08559	28.5
229.13336	3.2
230.05756	2.4
231.06519	26.7
232.07384	8.2
233.04475	14.7
233.08113	2.6
234.09753	1.6
239.07068	4.1
242.05745	15.0
243.06538	32.2
244.07335	2.4
245.04486	15.8
246.39142	1.8
247.09686	37.5
247.14319	2.5
251.05592	4.3
257.04550	8.6
257.08115	27.6
257.12772	2.3
260.06815	45.3
267.80972	1.5
275.05478	9.8
275.09134	100.0
275.13651	15.7
275.16708	2.6
278.11844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
58.55854	0.2
65.03950	1.0
67.05509	0.5
69.03432	0.3
69.45463	1.0
69.45889	0.5
79.05494	0.2
81.07059	0.2
83.04987	1.7
85.02906	0.2
88.32529	0.2
89.74725	0.2
91.05484	13.2
93.07072	0.2
95.04986	0.4
105.07063	0.7
107.04958	2.1
107.08556	0.4
111.04465	2.1
111.72327	0.2
119.04946	31.0
120.05244	0.2
121.10178	0.2
131.04976	0.3
131.08540	0.2
133.10133	0.3
145.06519	0.6
145.10167	0.2
147.04414	100.0
148.04764	0.7
149.09676	0.2
157.06544	0.5
159.08069	0.5
159.11670	0.3
162.43440	0.2
169.05064	0.2
169.06456	0.4
171.11658	0.2
173.06068	0.2
187.07515	0.3
189.05559	0.4
201.05482	1.7
217.04944	0.5
219.06889	0.2
275.09100	1.0
275.16437	0.5
275.20148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01881	1.7
55.05518	1.7
56.05030	1.2
56.96570	15.9
57.03442	2.1
58.29448	0.7
58.99865	1.8
60.04501	1.0
61.02919	2.6
67.05492	1.9
68.05021	0.7
68.99794	1.0
69.03422	5.9
69.07076	1.2
70.03756	0.8
70.06595	5.5
70.98128	5.0
71.04980	2.4
71.55854	1.2
72.08157	6.1
73.02912	2.7
74.06081	0.7
74.97625	1.0
77.00900	1.6
79.05486	1.6
81.03406	2.9
81.07043	1.3
82.02907	0.8
82.06599	2.0
82.99850	2.0
83.04971	1.3
84.04505	1.5
84.08150	9.5
84.96037	1.4
85.02903	8.9
86.06053	0.9
86.09707	1.6
87.04467	1.2
88.04002	1.3
88.33861	0.6
88.99147	1.8
91.05465	1.2
94.06563	1.9
95.04980	1.4
95.06090	3.3
95.08608	0.9
97.02899	5.5
98.97581	8.5
99.05598	0.6
100.07639	4.5
101.00883	21.8
102.05534	0.8
103.02470	3.6
103.05450	1.1
105.00406	0.9
105.03393	0.9
107.04955	1.3
108.04488	0.8
108.13693	0.7
109.02874	1.0
110.06043	1.8
110.07153	1.9
110.97559	3.2
111.05515	1.0
113.00864	3.5
113.03479	1.3
113.07140	8.6
114.05544	0.9
114.09166	1.4
115.02404	2.3
116.07076	1.2
116.98614	5.9
117.04015	5.6
119.01928	100.0
120.02031	1.5
121.01615	0.8
121.03521	2.2
121.06493	0.7
122.06039	17.9
123.04468	1.8
123.05547	1.5
124.07609	3.6
125.07140	4.5
127.02396	4.5
127.03918	2.6
127.08728	0.8
128.98634	4.5
129.03979	0.9
129.10258	3.3
131.01926	14.3
131.03484	0.9
131.05542	2.2
133.01697	1.1
133.03505	5.5
134.99670	2.4
135.05069	4.6
136.07568	2.0
137.02965	31.3
137.05966	2.2
141.04015	1.4
141.06496	0.8
142.03491	2.5
143.00237	1.1
143.01906	15.4
144.99789	1.3
145.03476	37.7
145.06499	1.6
146.99648	4.4
147.01411	2.6
147.05046	1.7
149.03018	1.6
149.06612	3.3
151.06267	1.3
154.08624	2.6
155.01907	8.5
155.04884	1.2
156.02695	2.1
157.01692	0.9
157.03474	4.1
157.06458	0.8
158.99721	1.6
159.05048	27.3
159.06371	1.4
160.04619	0.8
161.02969	24.7
161.06641	0.9
163.04591	10.6
165.00728	2.5
165.02342	0.8
167.02010	1.1
167.03368	1.6
167.06998	0.8
168.05127	1.0
169.03502	3.2
169.09865	0.9
170.09659	0.9
171.01450	2.7
172.11179	1.3
172.97633	4.4
173.01331	1.3
173.02962	10.1
173.06671	6.8
174.99164	0.9
175.04544	2.6
177.00766	1.3
177.06110	14.0
179.03963	1.1
182.06717	1.0
183.04492	2.1
184.04623	1.2
185.02983	8.8
185.05040	1.2
185.06631	9.9
187.04517	17.1
187.08099	2.1
187.54344	0.9
188.97084	0.9
189.00792	1.2
189.02469	14.8
190.98672	15.4
191.00352	0.6
191.03465	3.5
191.07797	3.0
195.01407	0.8
197.03038	0.9
198.09193	1.2
199.08241	1.1
199.09904	1.1
200.10736	0.9
201.05399	5.4
202.08759	0.8
203.04025	14.6
203.07581	4.2
205.00179	1.8
205.01915	1.3
205.05569	4.5
207.03505	7.4
208.99734	3.1
211.00836	0.8
212.04250	1.1
212.10863	0.8
213.02470	6.9
215.00369	1.3
215.04004	2.2
215.07808	2.6
215.11903	1.0
217.05609	0.9
218.98212	1.9
219.01805	1.9
221.05103	8.9
222.05550	0.8
223.01306	1.1
223.04997	0.9
227.09598	1.3
228.10260	2.6
229.01860	0.8
229.04988	8.9
229.09795	2.8
231.03514	9.4
232.99593	6.9
233.01443	1.2
233.04846	2.3
233.08551	0.9
236.99150	1.9
237.02840	2.6
240.10152	3.2
245.05148	2.5
249.04408	1.2
251.00558	5.6
257.01730	1.4
257.04465	10.4
257.08826	3.0
257.12686	1.1
257.15182	1.3
257.22791	0.8
258.11243	6.6
259.61517	0.8
274.27457	1.8
274.97513	1.7
275.02451	6.2
275.05557	12.5
275.10773	31.4
275.13959	23.2
275.16208	1.5
285.34146	0.9
292.98566	0.8
293.03607	5.0
293.10803	4.6
294.11087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05521	19.2
56.39000	1.8
57.07080	11.0
67.05511	34.8
68.99740	1.8
69.06721	3.1
69.07075	47.0
69.83936	1.6
70.92253	3.8
70.92583	2.3
71.08624	2.7
71.36996	1.8
75.32537	1.6
79.05501	19.7
81.07065	88.6
83.04993	2.3
83.08638	18.3
91.05479	15.2
93.07054	45.9
95.04974	3.0
95.08614	91.3
97.10175	10.8
105.07041	36.4
107.08602	69.3
109.10166	65.4
111.11716	7.4
117.07027	3.9
119.08582	34.6
121.10155	50.2
123.11720	42.0
125.13242	2.1
129.06982	1.9
131.08574	4.1
133.10146	24.9
135.08063	2.3
135.11716	34.6
137.13261	12.6
143.08571	2.8
145.10147	5.8
147.11687	20.5
149.13278	47.8
149.14238	1.8
151.14830	6.8
157.10135	2.8
159.08191	2.0
159.11690	5.4
161.13271	31.6
163.14838	31.0
165.12834	2.2
171.11674	4.4
175.14818	15.5
177.16425	17.3
185.13326	4.0
189.16405	23.6
191.17992	12.5
203.17969	20.5
215.17992	3.0
217.19522	28.9
219.17238	2.0
227.18045	3.9
231.21054	2.8
251.99579	2.1
255.21075	4.2
273.18607	7.5
273.22241	23.2
273.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03944	2.2
55.05523	8.5
57.07082	2.3
61.50105	1.5
67.05511	9.8
69.07050	6.6
71.04990	13.6
79.05481	6.5
81.07062	31.7
83.08607	2.8
85.06536	2.6
85.15513	1.3
87.21703	1.7
91.05496	8.7
93.07052	19.9
95.04948	5.7
95.08607	23.9
97.06541	1.6
97.10144	3.0
98.20718	3.5
105.07040	30.0
107.08608	23.5
109.06500	5.3
109.10168	11.3
109.57543	1.5
111.08092	12.9
113.09650	8.6
117.06997	4.6
119.08595	47.2
121.10148	22.6
123.04439	20.3
123.11720	10.6
128.06209	1.7
129.06976	3.1
131.08572	17.9
133.10141	10.9
135.11665	6.7
137.09641	2.2
137.13226	1.6
142.07860	2.6
143.08580	9.3
144.09331	1.9
145.10139	23.5
147.11700	13.1
149.13251	6.7
156.09308	2.5
157.10149	11.5
159.11703	45.7
161.13268	14.8
163.11169	2.6
163.14801	5.4
171.11763	7.0
173.13277	15.2
175.11247	2.1
175.14819	6.9
177.12706	6.7
179.14287	1.8
185.13278	10.8
187.14821	5.8
189.05411	1.9
189.16408	4.0
199.14806	18.5
203.17947	4.3
213.16409	9.9
215.17966	63.7
217.15910	3.3
227.17842	3.9
229.19516	10.8
255.21100	57.7
273.07602	5.6
273.18848	3.1
273.22137	100.0
274.22638	2.1
274.27390	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	273.0758
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.02399	0.6
53.03953	0.5
55.01880	0.4
55.05532	0.2
57.16036	0.2
57.76358	0.2
63.71948	0.2
65.03967	0.3
67.05524	1.1
68.99792	1.8
69.03419	0.4
69.52992	1.4
69.53358	0.1
70.06594	0.4
77.03930	1.1
79.05494	0.5
81.03434	0.2
81.07069	0.3
81.17124	0.2
83.05008	0.4
91.05470	0.7
93.07034	0.2
95.04966	1.9
103.05486	0.7
104.05839	0.2
105.03384	2.1
105.04528	0.3
107.04958	2.3
108.05295	0.8
109.02892	0.4
110.00336	0.2
111.00822	2.3
111.04442	0.4
115.05454	0.3
117.07010	0.3
119.04930	0.7
119.08592	0.2
121.02846	0.2
121.06484	0.3
123.04433	100.0
124.03957	0.3
124.04762	0.5
125.07084	0.5
127.03873	0.3
131.04942	0.4
132.05304	0.3
133.06496	0.3
134.13966	0.2
135.04428	1.9
137.02339	0.2
139.03893	1.7
141.06947	0.2
142.02423	0.2
142.07899	0.2
143.04883	0.4
143.08542	0.3
145.06468	0.6
147.04414	5.7
148.05222	0.4
149.02365	0.3
149.05962	0.3
149.94695	0.2
151.03902	1.8
153.06999	0.5
157.06493	0.4
161.06044	1.2
163.03928	3.5
163.07510	1.4
171.04433	0.2
175.07497	0.3
181.06474	0.8
185.05931	0.2
189.05481	2.2
198.06769	0.2
199.07549	0.5
203.07076	0.4
209.05983	0.2
227.07057	1.0
231.06436	0.6
245.07994	0.3
255.06604	1.3
256.10358	0.3
258.07095	0.7
273.07465	15.4
273.12402	0.7
273.18253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2061
Annotation	Saniculamoid C
Peak:m/z	Relative Intensity
50.47978	3.3
55.05523	5.0
57.79239	3.7
58.02484	3.4
59.72195	4.7
67.05496	10.9
69.07076	7.9
81.07047	18.9
91.05484	9.1
93.07050	13.1
95.04985	22.6
95.08624	18.9
97.06522	9.0
98.21514	9.9
103.08075	3.9
105.07028	32.4
107.08604	8.2
109.06549	6.2
109.10173	13.9
111.11756	6.6
115.06484	4.1
119.08592	20.2
121.10190	10.5
123.04464	8.6
123.08107	8.1
131.08572	5.6
131.97636	4.0
133.10161	12.3
135.11679	8.8
137.09618	5.6
143.08597	4.5
145.10135	10.2
157.10201	5.1
159.11745	9.3
161.13257	44.3
163.14799	7.6
173.13300	4.9
173.36183	3.7
191.18182	4.0
201.16376	19.0
219.17474	33.1
228.99060	4.2
237.18524	100.0
269.03946	3.8
273.14926	6.2
273.18604	5.2
273.22076	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	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.94835	0.4
56.96559	0.8
65.03938	0.8
67.01869	2.4
68.99800	2.2
69.03423	1.8
71.56297	0.5
81.03432	0.6
85.78133	0.4
87.54111	0.4
91.05496	7.1
95.04969	2.6
97.02895	1.6
98.97593	0.7
107.04977	2.4
108.05315	0.6
110.97602	0.4
111.00817	0.8
119.04959	16.9
121.02855	0.4
121.06538	0.8
123.04444	7.3
127.04015	0.4
129.07057	0.6
143.08630	0.5
147.04425	44.4
151.03937	1.1
153.01843	100.0
154.02200	0.9
157.10112	0.5
161.05984	0.7
163.03932	1.2
163.07535	0.7
167.08374	0.4
171.02936	3.6
171.04324	0.7
179.03362	0.8
181.06415	0.8
189.05513	1.5
231.06544	0.5
255.06471	0.7
256.10550	0.4
273.07602	77.6
274.05002	0.4
274.07938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.5
58.12560	8.0
58.72244	8.9
60.50122	8.3
65.67429	7.7
67.05488	24.0
69.07054	13.5
71.56921	11.7
79.05510	18.2
81.07067	63.5
82.07382	8.3
83.04980	7.7
91.05486	24.0
93.07041	34.5
95.08638	42.3
97.61818	7.7
98.97638	8.2
105.07031	62.0
107.04970	81.9
107.08604	23.9
109.10157	17.8
110.06059	14.3
113.45113	8.0
115.05383	10.4
117.07023	8.1
119.08618	43.3
121.06555	10.4
121.10131	15.9
123.04424	19.2
129.07076	10.9
130.25250	8.5
131.08578	18.9
133.10144	16.9
143.08517	10.2
145.10112	23.1
149.13377	8.8
156.09047	10.4
157.10104	10.4
158.10391	10.3
159.11699	22.1
160.12056	10.2
161.05981	19.6
161.13263	100.0
165.06982	11.3
166.07364	8.4
168.05783	9.3
169.06145	8.2
173.09660	9.6
173.13260	8.5
177.16203	9.9
181.06491	10.9
184.08331	19.6
186.25958	8.2
189.16380	16.3
201.16393	23.0
203.06923	9.3
207.17436	17.0
211.07474	8.9
212.07922	14.2
219.17494	29.0
227.17915	8.2
228.06461	9.6
236.17009	10.5
237.18599	16.7
240.07413	14.5
255.10185	20.6
272.05991	34.7
272.10052	38.3
272.12943	39.9
272.17377	14.7
272.20691	34.5
273.14871	16.7
273.18344	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	272.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56803	6.6
55.05506	7.8
58.12704	6.9
67.05514	18.9
77.72813	6.7
79.05486	9.8
81.03490	8.7
81.07070	54.1
91.05495	12.0
93.07053	23.5
95.08623	21.3
105.07013	34.1
107.04943	38.1
107.08610	21.7
109.10149	12.3
119.08600	27.6
121.10189	13.3
123.04446	10.5
123.11700	7.0
131.08586	12.5
133.10153	25.0
143.08569	7.2
144.18211	7.9
145.10121	12.9
157.74084	6.5
159.11713	19.2
161.13246	100.0
166.07379	14.3
189.16396	13.4
201.16383	23.0
204.36711	7.2
207.17465	18.7
219.17497	27.3
226.63792	6.3
227.17966	8.1
236.17300	12.6
237.18512	18.6
254.18324	16.3
272.05991	11.5
272.10132	27.4
272.12961	17.3
273.07565	11.5
273.14963	10.6
273.18539	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	272.1644
Annotation	Cocculine
Peak:m/z	Relative Intensity
68.76003	0.5
70.44222	0.6
71.29751	1.1
78.69780	0.6
79.05491	1.6
81.07037	1.0
88.07622	0.5
91.05477	1.7
93.07045	1.0
94.06550	1.0
95.04959	0.6
95.08608	0.9
96.76144	0.6
105.07016	2.4
107.04942	3.0
107.08592	1.6
108.08156	0.8
115.05395	0.6
117.07010	1.1
117.63493	0.5
119.08567	1.8
128.06253	1.2
129.06981	1.3
131.08578	1.5
134.09647	2.3
142.07797	1.0
143.08557	4.1
144.08086	2.4
144.09119	0.6
145.08865	3.7
145.10028	1.1
146.09612	2.6
155.08528	1.5
157.08961	0.7
157.10112	3.4
158.09657	15.3
159.10466	13.7
159.11729	2.5
160.11237	10.2
161.11949	1.2
169.10081	0.7
170.09666	0.7
170.10927	2.0
171.10396	1.3
172.11217	7.7
173.12004	6.4
176.10698	1.2
180.09271	0.6
183.07906	0.7
184.11238	0.8
185.09674	1.0
185.11676	1.0
185.13275	18.3
186.12692	3.5
195.11670	0.6
198.12794	1.3
202.15953	6.2
203.14348	1.2
211.13620	0.9
212.14297	2.3
213.12877	2.6
226.15947	3.7
230.15271	0.7
231.13831	1.5
244.16978	7.4
254.15501	2.7
255.10103	0.8
272.13678	3.7
272.16458	100.0
272.25885	1.9
273.16733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1282
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
53.03949	0.5
55.01869	0.5
55.05547	0.3
63.44843	0.3
67.05495	0.4
68.99789	0.8
70.06583	0.5
70.42034	0.4
70.90289	0.8
77.72446	0.3
79.05492	1.6
81.32216	0.3
83.05003	0.5
84.04500	1.6
85.02939	0.5
91.05481	1.3
93.07039	0.6
95.04977	1.2
103.05482	0.9
105.07027	1.4
107.04959	100.0
108.05331	0.5
111.00815	0.4
115.05454	9.6
117.07024	1.5
118.06530	0.4
119.04966	1.5
121.02875	1.1
121.06490	2.9
123.04440	10.4
130.05003	0.4
131.04929	1.0
132.99171	0.3
133.06512	1.7
135.04410	1.9
137.06024	0.6
141.06961	0.4
143.04930	15.6
144.01260	0.3
144.05614	0.5
145.06482	7.3
147.04440	0.9
149.06003	1.0
153.07076	0.4
155.06100	0.6
161.05995	13.4
162.06462	0.7
164.07085	5.9
165.06995	0.4
166.07784	1.0
167.08507	0.4
169.06456	0.4
169.69302	0.4
171.08031	0.4
173.05916	0.3
174.06296	0.6
178.08678	0.8
181.06509	1.1
181.10133	0.8
183.08095	0.7
188.04182	0.4
191.08615	1.6
194.07253	2.7
195.08012	0.4
197.05966	0.7
198.06519	0.7
202.05829	0.7
209.09637	5.6
211.07590	0.7
219.07945	0.5
222.06770	0.5
223.07500	0.4
226.06161	1.5
227.07066	0.5
227.10722	0.4
230.05292	0.6
233.41655	0.4
237.09111	3.6
240.07860	0.9
244.06866	0.5
254.05542	0.4
255.06604	2.2
255.10167	29.2
257.06738	0.5
272.06735	4.3
272.12814	60.6
273.13196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1283
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
50.46335	0.3
53.03939	0.9
55.01877	0.5
67.05505	0.3
68.99780	0.6
70.06598	0.5
71.02033	0.4
71.02362	0.5
77.03928	0.4
79.05492	3.1
81.32664	0.3
86.27721	0.3
91.05479	1.6
93.07068	0.5
95.04969	1.4
97.02954	0.3
101.91850	0.3
103.05476	8.5
105.07045	1.0
107.04961	100.0
108.05288	0.5
110.06063	0.4
115.05459	6.3
117.07052	1.2
119.04960	0.7
121.06535	2.0
123.04440	11.5
123.05331	0.7
124.03975	3.8
130.06558	0.5
131.04935	4.0
133.06529	1.7
137.06000	1.0
139.03816	0.3
143.03781	0.5
143.04933	10.1
145.06505	6.4
146.06010	0.5
147.04398	0.3
149.05992	1.7
155.06097	0.9
157.07661	0.8
161.05997	18.1
164.07056	1.5
166.06566	0.4
166.07726	0.4
178.08652	0.5
181.10164	0.5
183.06828	0.4
188.04285	0.3
191.08563	1.2
194.05815	0.4
194.07405	1.7
195.07980	0.5
197.06007	0.4
198.06375	0.3
202.74013	0.3
209.09613	2.4
211.06235	0.7
216.71106	0.3
219.08069	0.6
222.06860	0.3
226.06360	0.8
227.06931	0.5
228.06587	3.4
229.07368	4.7
230.05339	0.3
237.09186	2.9
240.07953	0.7
242.04507	0.6
242.09114	0.4
244.07057	0.4
254.05527	0.4
255.10187	28.9
256.10544	0.6
257.06839	19.3
258.07162	0.4
271.92734	0.3
272.06433	3.2
272.09259	40.4
272.12860	38.5
273.07382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0918
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
52.70916	0.3
53.03975	0.3
68.99844	0.5
69.91003	1.5
70.06612	0.4
79.05499	3.2
79.22160	0.3
81.69124	0.3
85.02946	0.4
91.05528	0.3
93.07096	0.5
97.04249	0.3
98.20701	0.3
103.05473	9.1
107.04964	8.6
110.06110	0.5
115.05476	0.3
123.04430	2.1
124.03961	4.9
125.04212	0.3
130.06560	0.5
131.04926	4.2
131.05817	0.3
136.20320	0.2
139.05502	1.1
142.06593	0.3
143.05014	0.6
149.06047	1.1
157.07640	0.8
161.05948	0.6
166.06517	3.3
167.04987	0.4
183.06773	3.3
183.07985	0.3
194.06015	4.0
199.07620	0.5
211.06313	2.9
212.07117	0.8
213.07906	0.4
214.04944	0.5
226.05382	0.3
226.06471	0.3
226.08624	1.8
228.04305	0.4
228.06541	6.2
229.07346	11.7
239.05782	0.3
242.04497	2.7
255.10208	1.0
256.06082	1.2
257.06839	44.0
258.06998	0.6
272.09167	100.0
273.09470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1131
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03936	0.6
55.01877	0.4
55.05518	0.6
56.96571	3.7
57.03442	2.1
61.02929	2.8
65.03945	3.3
67.05524	0.4
67.32880	0.3
69.03433	4.8
69.35312	0.4
70.06596	0.6
70.85065	0.6
71.04999	0.9
71.79902	0.4
73.02930	1.9
80.05013	0.6
80.12922	0.4
81.03419	1.5
83.04980	0.4
84.96047	0.7
85.02911	9.7
87.04470	1.0
91.03955	0.6
92.05012	45.7
93.05794	3.2
94.06579	7.0
94.52109	0.4
97.02892	4.4
98.97575	1.9
99.04495	0.8
101.00852	0.6
108.04441	0.4
109.02899	0.8
110.06049	100.0
112.05103	0.6
112.99146	1.4
116.98638	0.8
119.01841	0.8
124.99123	0.8
127.03950	2.3
131.00183	0.8
131.05553	0.6
143.00221	1.9
143.01935	0.4
145.01709	0.6
145.04933	1.2
147.05092	0.5
149.06581	0.5
152.07091	2.2
153.05791	2.7
153.55994	0.5
155.01859	0.4
155.05499	0.6
158.99699	0.5
161.01236	1.4
161.02827	0.7
161.06630	0.5
162.06305	1.1
163.02921	0.9
163.04407	2.7
169.04459	1.7
170.05103	0.8
170.99503	0.5
178.04929	3.6
179.02249	0.4
182.03302	0.5
183.04965	0.5
189.06149	0.5
191.03825	0.7
200.04617	0.5
203.07684	0.4
205.00150	0.5
215.07594	0.4
216.85916	0.4
221.04915	0.4
223.01196	0.5
236.09340	0.4
236.84421	0.4
237.02884	0.6
254.10286	2.6
272.06519	1.0
272.11282	21.7
272.16043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1906
Annotation	Celorbicol
Peak:m/z	Relative Intensity
55.01878	2.3
55.05514	10.9
56.96575	1.8
57.07075	2.5
63.09361	1.7
67.05509	17.3
67.22201	1.8
68.99783	2.4
69.07072	14.1
69.76215	4.1
69.76632	8.3
71.04993	3.3
79.05496	12.4
81.03397	3.0
81.07063	37.1
83.04964	5.9
83.08606	3.7
85.06551	2.3
89.27805	1.4
91.05479	15.9
93.07054	15.6
95.05001	8.5
95.08608	30.1
97.06532	16.2
97.10188	9.9
102.26428	1.8
103.05545	2.1
105.07036	25.0
107.04958	6.3
107.08598	24.4
108.46957	1.6
109.06517	5.4
109.10164	20.1
111.04426	6.2
111.08054	2.2
111.11711	2.9
115.05441	3.8
117.07028	5.7
119.04941	1.9
119.08593	23.3
121.06499	8.3
121.10156	7.3
122.12535	1.7
123.08086	4.9
123.11714	7.4
129.07013	7.8
131.08595	10.6
133.06419	1.9
133.10126	13.6
135.08072	15.6
135.11720	4.6
139.07520	5.6
141.06967	2.9
142.07803	6.2
143.08557	15.2
145.10135	16.7
147.08017	4.2
147.11678	8.9
149.13289	3.6
153.09131	4.4
155.08577	7.5
156.09430	3.5
157.10129	20.7
159.11691	13.1
161.09610	4.5
161.13298	14.8
163.14838	7.7
165.07059	5.3
167.08582	3.0
169.10123	14.1
171.11707	6.7
173.09671	3.5
173.13264	5.4
175.11252	2.4
177.09190	2.0
183.11734	10.0
185.13332	3.6
187.07626	2.8
187.14758	2.0
189.12831	2.1
189.16394	9.8
197.06058	3.3
197.09628	4.2
197.13318	5.1
199.14867	19.4
201.12730	2.2
207.17485	1.8
211.11157	3.2
211.14787	4.6
215.10779	2.3
217.15875	12.1
225.12839	2.9
225.16440	11.7
227.17957	2.9
228.04216	1.9
229.12184	2.9
235.16942	72.5
243.17590	2.1
253.12250	3.4
253.17989	100.0
271.06125	8.5
271.09656	7.2
271.13342	9.1
271.17148	25.5
271.20804	13.3
271.23859	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1906
Annotation	Celorbicol
Peak:m/z	Relative Intensity
53.03942	2.6
55.05502	16.9
57.03480	2.0
57.07067	7.5
63.81644	1.9
67.05502	17.7
69.07065	13.6
70.85830	2.0
71.04993	3.5
79.05499	12.3
80.67768	2.5
81.03473	2.1
81.07057	34.8
83.04958	6.0
83.08614	8.4
91.05487	15.1
93.07050	21.1
95.04976	4.4
95.08609	30.7
97.06540	13.9
97.10191	12.4
98.21493	6.0
103.67548	1.8
105.07041	25.1
107.04967	5.2
107.08607	22.5
109.06507	5.5
109.10166	23.0
110.03759	1.9
111.04450	7.5
111.08109	5.0
111.11738	4.1
115.05442	2.3
117.07024	7.6
119.08577	20.4
119.36662	1.9
121.06509	4.8
121.10144	6.9
123.08095	3.6
123.11691	7.6
125.06015	5.4
128.06221	4.8
129.07021	7.1
131.08531	15.1
133.10155	16.0
135.08041	18.1
135.11713	4.5
139.07549	5.5
141.07036	3.9
142.07806	5.7
143.08578	12.6
145.10133	9.4
147.08064	6.1
147.11662	11.3
149.13261	5.0
155.08548	8.1
156.09367	2.6
157.10130	14.5
159.08107	3.0
159.11723	9.8
161.09692	2.7
161.13239	15.8
163.14861	7.9
169.10152	9.2
171.07994	2.7
171.11722	8.0
173.13280	5.6
175.11156	2.7
175.14810	2.8
179.71466	2.1
183.11690	9.5
185.13304	3.1
187.14842	4.8
189.16397	9.9
197.13268	5.6
199.14861	18.1
201.16345	2.7
213.16400	3.0
217.15886	18.0
225.12761	3.2
225.16425	6.4
227.17912	2.2
229.15738	2.3
235.16948	79.6
253.17978	100.0
257.82321	2.1
271.05951	7.4
271.09079	3.9
271.13156	4.7
271.17023	25.0
271.20593	10.2
271.23868	4.9
271.31735	2.4
284.88913	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	271.1905
Annotation	Celorbicol
Peak:m/z	Relative Intensity
52.84293	1.7
53.03939	1.8
55.01875	2.6
55.05511	10.0
61.02912	1.8
67.05500	11.8
69.07073	7.4
69.54040	3.4
69.54452	11.2
78.75165	1.9
79.05492	10.9
81.07063	27.5
83.04970	5.9
83.08604	2.6
90.07135	1.7
91.05479	10.2
93.07040	15.8
95.04976	3.3
95.08614	23.0
97.06545	12.3
97.10183	11.8
105.07041	15.0
107.04958	4.2
107.08596	17.7
109.06550	4.5
109.10169	16.2
111.04454	8.5
111.08071	4.2
111.11762	2.5
115.05394	1.9
117.07016	2.0
119.08605	13.9
121.06530	6.3
121.10159	7.9
122.27512	1.8
123.11707	5.3
125.05916	1.7
127.07561	1.9
128.06235	2.5
129.07018	2.8
131.08571	6.5
133.10167	10.4
135.08084	14.1
135.11691	4.4
139.07568	4.9
141.06940	2.6
143.08557	10.0
145.10136	8.3
147.08067	4.8
147.11667	8.9
149.13264	6.1
153.07011	2.4
153.09093	4.5
155.08621	2.6
157.10103	9.9
159.11656	9.4
161.09631	2.7
161.13226	10.5
163.14769	4.0
165.06999	4.4
169.10193	2.4
171.11697	3.5
173.13268	4.0
175.11108	2.3
177.36250	1.8
181.06447	2.4
183.08127	3.0
187.14867	3.5
189.16418	8.9
194.16914	1.8
199.14821	17.8
211.07553	4.5
211.14880	2.0
217.15872	12.4
235.16942	83.5
247.71283	1.7
253.17990	100.0
254.18179	2.0
271.06381	8.5
271.09506	9.8
271.16815	3.4
271.24030	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	271.1905
Annotation	Celorbicol
Peak:m/z	Relative Intensity
55.01869	1.4
55.05511	5.7
57.03433	1.8
65.03944	1.1
67.05508	9.8
69.07063	6.6
70.25360	3.2
71.05003	1.8
79.05492	9.2
81.03426	1.4
81.07059	24.0
83.04990	3.8
83.08621	2.4
85.06483	1.1
91.03996	1.3
91.05480	7.3
93.03425	1.8
93.07047	12.4
95.04967	4.4
95.08616	20.8
97.06534	12.5
97.10178	11.3
105.07047	16.9
107.04929	1.3
107.08606	15.3
109.06540	3.2
109.10163	15.6
111.04451	5.7
111.08086	4.7
111.11722	2.9
117.07032	2.2
119.08576	12.9
121.06530	3.6
121.10142	5.0
123.08101	1.9
123.11730	4.9
125.05980	1.6
127.07574	2.1
128.06285	1.1
129.07042	2.7
131.08565	4.4
133.10138	7.6
135.08089	13.5
135.11598	1.8
139.07562	5.3
142.07796	2.1
143.07050	0.9
143.07553	0.9
143.08571	6.2
145.10129	3.6
147.08066	3.5
147.11711	6.7
149.13309	3.8
153.09116	3.2
157.08809	1.5
157.10159	5.6
159.11699	5.8
161.09628	2.2
161.13252	9.8
163.13634	1.0
163.14799	6.0
165.09116	1.0
171.11729	3.2
173.13226	1.7
175.14734	1.2
175.52330	1.1
187.14828	1.4
189.16437	7.0
199.14827	14.8
207.17447	1.0
217.15900	11.4
235.14403	1.0
235.15002	0.8
235.16940	67.6
253.18007	100.0
254.18530	1.1
271.06039	2.6
271.19128	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	271.1904
Annotation	Celorbicol
Peak:m/z	Relative Intensity
55.01866	2.2
55.05504	10.5
57.03420	2.4
67.05515	8.9
68.99780	1.6
69.03408	2.5
69.07062	7.1
69.93722	7.8
69.94134	3.0
79.05501	12.7
81.03414	2.6
81.07059	30.6
83.04986	2.9
83.08623	3.6
85.02937	1.4
85.06551	1.9
91.05489	9.6
93.03425	1.6
93.07041	15.0
95.04958	5.3
95.08617	24.9
97.06548	16.5
97.10178	11.4
98.97599	2.0
100.59521	1.6
105.07037	16.0
107.04938	5.9
107.08601	18.4
109.06503	2.7
109.10155	20.2
111.04445	5.8
111.08082	3.1
111.11749	2.6
115.05521	1.9
117.07061	4.7
119.08580	16.3
121.06483	5.8
121.10128	7.8
123.08086	2.9
123.11716	3.9
129.07024	3.7
131.08557	4.8
133.10149	11.9
135.08057	14.5
135.11679	2.9
137.09622	4.0
139.07535	5.4
141.07076	1.9
142.07771	3.2
143.08643	7.3
145.10123	4.6
147.08083	3.8
147.11693	9.5
149.09596	1.9
149.13237	4.3
153.06917	2.6
153.09114	3.0
154.75954	1.5
155.08534	2.2
157.10188	9.6
159.11690	7.1
161.09604	2.4
161.13252	12.3
163.14821	5.5
165.07031	3.1
171.11707	5.4
173.13289	3.6
183.08104	2.9
189.16391	9.7
199.14850	21.2
207.17424	2.3
211.07626	2.7
217.15889	12.0
228.21884	1.5
235.16934	75.4
239.06859	1.7
248.60641	1.7
253.17993	100.0
271.06219	11.1
271.09216	9.7
271.16959	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	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01881	4.6
55.05507	4.1
57.07058	3.6
58.94048	2.3
67.05502	7.2
68.99790	22.6
69.03419	6.1
69.07054	5.4
71.04993	3.7
71.55671	2.8
71.56033	2.7
73.02914	3.1
76.77914	2.5
79.05486	7.3
81.03407	5.7
81.07064	22.8
85.02878	6.0
85.90025	2.5
91.05489	13.7
93.07045	11.2
95.04984	17.5
95.08605	16.2
97.02916	2.5
97.06541	6.3
99.04433	8.2
103.05457	4.4
105.07037	19.5
107.04933	6.2
107.08599	13.7
109.02894	6.6
109.06547	16.8
109.10161	8.8
111.00786	2.7
111.08093	3.7
115.05493	2.9
117.07024	10.9
119.05001	3.1
119.08595	19.6
121.06473	3.2
121.10139	9.3
125.06006	3.4
127.03906	10.6
128.06207	4.2
129.07007	6.1
131.04956	4.9
131.08577	8.0
133.10149	13.2
135.08110	3.2
135.11650	8.2
139.05420	2.6
141.07005	12.4
142.07765	4.3
143.08612	3.4
147.04396	4.9
147.11679	10.1
149.13235	8.9
151.03906	7.8
152.06131	3.5
153.07011	10.1
155.04909	6.4
155.08559	6.8
157.06502	8.2
157.10098	9.5
159.04448	5.6
159.11687	33.7
161.05891	3.5
161.09605	3.8
161.13315	12.0
163.03874	2.7
165.07054	13.6
168.05730	14.4
169.06548	15.8
171.11656	3.8
173.06012	17.1
175.11108	3.2
175.14809	21.9
177.05565	3.2
177.12801	20.4
179.07028	3.3
181.06479	6.9
181.87930	2.4
183.04446	10.9
183.08104	16.2
185.05968	21.3
187.03920	6.2
187.07454	4.1
189.16385	7.9
196.05211	15.6
197.05969	25.8
198.06717	4.1
199.07492	3.7
199.14841	10.3
200.08377	23.8
201.05527	18.5
203.07030	11.8
211.05560	4.0
211.07552	82.1
212.08366	18.0
213.05531	15.1
213.09059	8.6
215.07034	8.0
215.10689	9.3
217.15970	14.0
225.05525	15.0
227.07050	3.9
228.07689	30.0
229.04933	17.3
235.16960	19.5
239.07074	39.4
240.07776	9.2
241.04872	5.2
243.06506	18.0
243.10202	56.2
253.04950	9.4
253.17995	75.6
256.07159	11.2
271.06018	100.0
271.09628	94.4
272.09641	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	271.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01852	1.2
55.05498	1.7
67.01894	1.1
67.05505	3.2
68.05020	3.6
68.99787	2.8
69.03419	3.2
69.07076	2.2
71.04992	2.1
71.56374	1.3
72.81704	0.8
73.02905	1.0
78.04731	1.1
79.05500	9.4
80.05034	2.4
81.03448	2.3
81.05802	2.9
81.07073	5.9
85.02911	1.9
85.06525	1.0
91.05476	11.0
93.05782	3.2
93.07049	4.9
94.06583	7.4
95.04979	2.6
95.08598	3.3
96.04498	2.0
96.08132	16.8
97.02843	1.2
97.06498	1.4
99.04461	3.3
104.04984	4.6
105.05814	1.2
105.07021	3.6
106.06533	2.1
107.04938	4.3
107.08589	2.9
109.02869	2.2
109.06566	1.7
109.10149	2.1
110.06087	1.1
116.04991	1.9
117.05785	1.4
117.07007	1.5
118.06553	98.5
119.04945	3.9
119.07341	16.3
119.08592	2.4
120.08098	11.6
121.02844	1.3
121.06468	1.3
121.10117	1.4
122.06041	5.4
123.08066	1.2
123.11687	1.5
124.07603	100.0
125.08416	1.0
126.09164	4.8
127.03911	3.1
129.07001	1.6
131.04892	1.3
131.08568	1.4
133.10097	2.0
135.08066	2.2
135.11647	1.2
141.06952	2.1
143.08473	2.0
145.10143	1.4
146.06018	38.5
147.06808	36.6
147.07944	0.9
147.11655	2.2
148.07587	97.6
149.04868	1.0
153.01826	5.1
153.07065	1.5
155.08577	1.9
157.10080	1.6
159.11734	1.9
161.09648	1.1
164.07082	2.7
165.07005	4.7
169.06436	1.7
169.10063	1.4
171.11726	1.9
173.06030	2.4
173.09604	1.0
173.13217	1.8
179.08626	1.3
181.06430	1.3
183.04399	1.3
183.08063	2.3
185.06087	1.2
187.11107	1.1
196.05139	1.3
197.06015	2.8
198.12761	1.7
199.14925	1.4
200.14366	7.1
211.07533	3.0
215.15529	5.5
217.15851	1.3
218.08179	1.0
225.05475	1.7
226.12311	1.9
229.05156	1.2
235.17047	1.9
243.06644	1.5
243.14949	16.3
245.16374	1.1
253.13547	2.4
254.11819	3.9
271.06049	65.8
271.09634	5.2
271.14423	27.5
271.17065	3.0
271.20578	4.2
289.12244	1.7
289.15466	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	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.67650	0.1
63.23364	0.1
63.79097	0.1
64.90417	0.1
65.03953	0.2
67.01867	1.5
67.05486	0.1
67.22112	0.1
68.99787	1.1
69.03419	0.2
69.07067	0.2
81.03400	0.2
88.94141	0.1
91.05497	1.6
95.04993	0.2
97.02946	0.2
98.20776	0.3
100.85046	0.1
104.06699	0.1
105.07068	0.1
107.04974	0.2
111.00805	0.2
114.71900	0.1
119.04958	4.9
121.02869	1.6
123.04430	0.1
127.03969	0.2
129.01842	0.3
131.04927	0.2
141.07002	0.5
145.02846	1.3
145.06493	0.2
151.03793	0.1
153.01842	10.2
153.07071	0.2
153.17740	0.1
155.08502	0.2
157.06465	0.3
163.03928	1.0
165.07031	0.3
169.06508	0.3
171.02901	1.0
173.05974	0.2
183.04472	0.2
183.08012	0.2
185.06001	0.2
187.03888	0.3
197.06024	0.6
201.05518	0.3
203.07079	0.2
211.03915	0.1
211.07532	0.3
225.05402	0.7
229.02852	0.1
229.05070	0.5
243.06474	0.9
245.04596	0.1
247.06046	0.2
253.05098	0.2
253.14061	0.4
271.06027	100.0
272.06360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01874	0.7
55.05513	3.3
57.03449	1.6
61.83166	0.3
65.03947	0.5
67.01879	1.9
67.05511	4.6
68.99802	1.6
69.03432	0.7
69.07078	2.8
71.04981	1.1
71.06951	0.9
79.05491	2.4
81.03444	0.5
81.07069	6.8
83.04980	0.7
83.08625	1.6
85.06536	0.9
85.10690	0.4
85.79047	0.3
91.05496	4.2
93.07068	2.9
95.04971	0.6
95.08051	0.6
95.08617	8.1
97.06545	1.0
97.10170	0.6
99.04443	0.4
99.08086	0.5
105.07058	2.7
107.08596	1.3
109.10169	1.8
111.08056	0.5
117.18083	0.4
119.04957	5.4
119.08598	2.6
121.02914	1.9
121.06524	0.4
121.10143	1.0
123.11737	0.4
127.03915	0.4
129.06999	0.5
131.08562	0.8
133.10136	1.7
135.11691	0.8
137.05991	0.4
141.06967	0.8
142.07808	0.5
143.08592	0.8
145.02881	0.8
145.06548	0.4
145.10165	0.8
147.11726	0.6
149.13214	0.4
153.01846	11.0
153.06990	1.0
155.04805	0.3
155.08592	0.9
157.06468	0.3
157.10161	1.0
159.08105	0.9
159.11699	1.3
161.13240	2.2
163.03932	0.7
165.07014	2.6
168.05710	0.7
169.06548	0.4
169.10120	0.6
171.02899	1.0
171.11708	0.3
173.05959	0.4
173.09641	0.4
173.13228	0.5
179.14276	0.8
181.06470	0.9
182.07370	0.4
183.08086	1.8
183.11662	0.7
185.09648	0.6
185.13298	0.4
185.23079	0.3
185.31944	0.3
187.03999	0.6
189.16495	0.3
196.05208	0.4
197.05963	0.5
197.09637	0.4
201.12624	0.3
203.06920	0.4
211.07561	1.8
215.14413	0.4
221.05974	0.3
225.05434	0.8
225.16301	0.5
229.05006	0.7
235.17021	0.5
239.07059	0.4
240.07901	0.3
243.06590	1.0
243.10335	0.5
271.06036	100.0
271.09210	3.5
271.18860	3.1
271.24335	0.8
272.06381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01869	1.2
55.53670	0.5
62.06790	0.4
66.69264	0.4
68.99794	23.1
69.03415	1.3
71.06083	0.8
79.05501	0.8
81.03406	1.0
81.07066	0.7
84.04473	0.6
85.02894	1.5
91.05477	3.8
95.04982	0.5
97.02888	1.5
98.84576	0.5
99.04432	0.6
103.05459	1.5
105.06999	1.2
107.04965	2.6
107.08613	0.7
108.05281	1.5
109.02889	1.1
111.00816	3.4
115.05462	2.8
117.07040	0.7
118.28445	0.5
119.08568	0.8
121.02929	0.6
123.04413	0.7
127.03929	1.2
128.00746	0.7
128.06190	1.0
129.07024	3.1
131.04922	2.5
131.08589	0.9
133.75850	0.5
137.02335	1.4
137.05977	1.8
139.05365	0.9
141.06993	8.5
143.04968	0.6
145.06493	2.4
147.04376	1.7
147.08119	0.7
149.02370	0.7
150.03122	0.8
151.03932	0.5
152.06218	0.8
153.06998	2.0
155.04913	7.7
155.06047	1.0
157.06512	5.3
159.04410	4.7
159.08018	0.7
161.06001	1.9
163.03885	1.3
165.07121	1.3
167.04964	0.6
168.05750	0.6
169.05212	0.4
169.06494	10.4
173.05994	18.5
175.03896	1.1
175.07527	1.2
177.05431	1.4
181.05023	0.6
181.06479	2.1
182.03981	0.5
183.04433	8.4
185.05971	4.9
187.03838	12.6
187.07520	4.0
196.05127	0.6
197.05994	19.3
198.06772	0.6
200.04607	0.8
201.05473	18.8
203.07051	8.4
205.04922	0.7
208.36221	0.4
211.04001	0.9
211.07550	1.3
215.07018	13.2
225.05487	10.8
226.06209	0.9
229.04968	20.1
239.07034	0.9
239.09608	0.5
243.06548	20.5
243.10234	1.1
253.04965	8.8
271.06024	100.0
272.06427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.2
57.07077	11.4
60.39606	9.6
63.34103	9.9
67.05501	38.5
69.07078	29.0
69.92009	22.2
69.92403	38.7
70.06591	17.2
71.04993	25.9
77.31510	10.2
78.30329	9.2
79.05499	36.0
80.05818	18.2
80.87633	10.3
81.07068	73.7
82.07411	23.6
83.05003	12.6
83.08624	14.1
85.02939	12.1
85.06567	14.5
91.05485	45.8
93.07069	61.1
94.07365	20.3
95.08608	59.6
96.08961	26.7
99.04433	14.7
103.18060	10.4
105.07022	45.3
106.06556	22.2
106.07313	15.9
107.04972	23.3
107.08604	40.0
108.04466	62.5
108.08913	11.1
109.02905	17.9
109.06510	27.8
109.10180	15.9
118.07405	11.2
119.08593	51.7
121.06512	9.6
121.10146	38.6
123.08091	29.8
127.07580	19.1
131.08551	32.6
132.08902	10.8
133.10103	24.7
137.09605	14.0
143.08562	23.4
145.10080	16.4
147.11745	20.2
151.11285	14.2
157.10150	55.3
158.05679	9.1
159.11714	65.9
163.57913	9.4
165.07048	31.6
165.12788	9.8
175.09917	10.2
175.11327	26.3
175.14816	21.4
183.11551	10.3
186.13683	14.0
189.16548	12.9
199.14848	87.6
211.07530	10.9
212.04720	13.1
217.15933	100.0
227.07031	30.3
235.16876	91.3
252.13785	41.8
252.16524	16.4
255.06441	18.0
270.04538	12.6
270.08286	28.6
270.11728	22.3
270.14984	57.1
270.22943	24.9
271.06131	23.0
271.09531	18.7
271.14334	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	270.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36409	0.4
54.88101	0.5
55.05491	1.3
56.96566	0.7
57.03422	0.4
57.07049	0.5
67.05493	1.5
69.07046	1.7
71.04988	0.9
71.05370	0.4
71.16949	0.8
71.17287	0.8
78.24235	0.4
79.05484	1.3
79.63878	0.4
81.07059	3.0
81.57467	0.4
82.07377	0.4
91.05495	2.1
93.07055	4.6
95.04957	0.9
95.08612	3.2
97.06525	0.6
99.04422	1.1
101.05997	0.4
105.07039	4.5
106.07317	0.6
107.04970	1.1
107.08591	3.5
109.02881	0.4
109.06494	0.5
109.10137	1.4
111.08067	0.8
111.85107	0.3
117.07008	1.8
119.04952	1.0
119.08595	3.4
121.06538	0.4
121.10142	2.6
123.08167	0.4
127.90945	0.4
129.07013	1.0
130.59871	0.4
131.04912	0.4
131.08586	2.7
133.10149	3.9
134.10461	0.5
135.08061	0.7
135.11697	0.9
137.09528	0.4
142.07776	0.7
143.08566	1.2
144.09311	0.4
145.10107	1.4
147.11705	2.4
149.09570	0.4
149.13271	4.5
153.01852	1.2
155.08522	0.5
157.10118	2.2
159.07280	0.4
159.11703	15.2
161.09633	0.6
161.13269	1.4
164.07037	0.4
165.07019	1.1
168.07228	0.4
171.11658	0.8
173.40689	0.3
174.13634	0.4
175.11203	0.5
175.14859	0.8
177.12750	7.6
177.16364	1.5
178.05847	1.6
180.08089	0.8
181.08878	6.1
182.09656	3.3
183.08060	0.7
183.11797	0.6
187.14804	2.3
189.16409	3.6
194.09653	2.3
195.10440	3.4
196.11209	7.6
197.11989	2.9
198.12837	2.8
199.14810	1.6
205.15891	4.2
207.10370	0.9
207.17479	1.5
208.11238	5.4
209.08380	15.3
209.11896	3.6
210.08563	0.9
212.04691	0.9
213.09337	0.6
217.15906	4.1
222.12703	2.0
224.10881	4.9
224.14339	17.4
226.08591	0.7
227.07002	1.4
228.14034	0.4
235.16939	3.7
236.10744	3.8
237.11469	0.9
243.07628	0.6
250.12372	3.4
250.51569	0.4
252.13853	69.4
253.14189	1.6
253.17908	0.6
255.06558	1.3
270.09125	3.1
270.14905	100.0
271.06024	9.3
271.09335	0.8
271.15015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
57.07089	2.3
67.05488	4.5
69.84472	9.8
78.04712	2.1
79.05504	2.6
81.07077	8.9
83.04890	1.6
86.00269	1.5
91.05479	6.2
93.07037	6.1
95.04964	1.7
95.08592	6.7
97.06525	2.2
98.20820	2.2
105.07016	12.4
105.26372	1.9
107.04942	7.1
107.08583	8.2
109.10133	2.2
111.08036	2.3
117.07065	3.6
119.08601	12.5
121.10129	13.8
123.11716	4.8
128.46857	1.8
129.07005	2.2
131.08572	8.3
133.10168	3.7
137.09608	3.6
143.08572	5.2
144.09332	5.4
145.10153	2.2
147.11661	3.5
157.10136	16.6
159.11705	73.9
160.12096	2.1
165.07167	2.3
181.08800	3.5
182.09647	3.6
194.09601	2.5
195.10408	2.2
196.11176	8.8
197.11920	2.9
199.14848	19.3
208.11229	3.4
209.08395	14.7
209.11990	3.6
211.07542	2.7
217.15897	31.2
224.10687	6.1
224.14325	16.2
235.16933	8.6
236.10681	4.5
250.12305	4.6
252.13864	64.6
270.08749	3.7
270.11911	6.6
270.14905	100.0
270.19366	3.8
270.22464	2.4
270.27924	2.4
271.09869	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	270.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.7
57.03455	1.5
61.67973	1.4
67.05494	5.7
69.07071	8.4
69.39352	12.5
76.17574	1.4
78.85354	1.3
79.05495	7.0
81.07061	10.8
83.08609	4.3
88.07643	2.4
91.05483	8.3
93.07050	16.5
95.08609	17.5
97.06525	5.9
97.10184	2.4
98.20782	3.0
99.04446	1.8
105.06389	1.9
105.07037	24.2
107.04961	2.6
107.08601	8.7
109.06455	1.7
109.10149	3.7
119.08583	23.1
121.06503	4.2
121.10159	13.2
123.08037	3.0
128.43779	2.0
131.08585	2.7
133.10118	13.6
135.11688	2.9
139.07590	7.9
143.08511	2.3
145.10086	1.6
147.08052	2.5
147.11716	4.7
149.09679	1.8
151.07570	2.0
153.09111	3.4
157.10182	3.2
159.11681	2.5
161.09627	2.5
161.13255	1.9
164.07158	1.8
165.09100	6.7
169.10117	3.1
171.11629	1.7
173.13257	4.9
175.14832	52.1
179.10712	7.7
181.08849	2.6
189.16365	2.7
196.11272	5.3
199.14809	6.0
208.11234	1.7
209.08371	5.7
211.81549	1.4
217.15915	8.1
222.12769	1.7
224.14375	8.4
224.17574	1.6
235.16936	100.0
236.10907	1.5
252.13866	35.4
253.18092	7.8
255.06625	1.5
270.08777	2.0
270.11938	3.4
270.14932	42.4
270.18182	1.9
270.19330	2.2
270.27664	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95423	2.7
59.05002	13.9
69.07082	4.1
71.01362	3.6
75.04494	12.9
85.02922	5.8
87.04462	26.6
91.05468	4.6
98.97585	4.6
103.03969	12.9
109.02930	5.1
110.07196	4.0
120.08109	4.8
120.29984	3.4
126.56882	3.1
131.03401	11.1
132.08043	4.5
136.06221	11.0
137.36078	2.9
151.07605	5.5
161.04466	33.4
162.05411	7.3
169.22945	3.2
188.55188	2.7
201.05504	3.9
204.75081	3.4
209.29843	3.2
217.03438	100.0
224.12910	5.5
235.04517	17.5
252.12251	3.3
270.10941	3.2
270.13416	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	270.149
Annotation	Strobamine
Peak:m/z	Relative Intensity
50.32847	17.0
55.53653	14.1
58.46951	13.6
63.84872	15.5
69.46295	100.0
81.07063	38.5
91.05499	18.9
92.35274	16.0
96.16151	15.2
97.23309	15.3
98.20788	33.8
102.58326	14.5
104.05287	13.2
105.07012	22.8
107.04932	17.4
119.08597	16.2
131.08611	17.6
157.10086	18.7
178.40196	16.3
188.36087	14.7
196.11227	18.7
201.09067	26.3
229.12260	28.6
252.13831	36.1
270.14847	66.3
270.27408	15.2
285.99963	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	269.2113
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.03941	4.3
55.01875	4.5
55.05515	47.2
57.03442	5.9
57.07066	6.1
65.03947	2.6
67.05510	65.6
69.03449	5.1
69.07070	55.7
71.04998	16.6
71.30993	2.5
73.06506	2.4
78.27649	2.1
79.05499	40.6
81.07066	100.0
83.04986	13.0
83.08624	26.1
85.06546	6.1
89.60400	2.1
91.05481	25.5
93.07049	63.8
95.04964	4.0
95.08614	93.9
97.06546	14.1
97.10161	14.0
99.08092	4.7
101.06003	2.2
105.07032	20.2
107.04951	4.8
107.08606	32.8
109.06506	2.7
109.10165	52.8
111.08087	8.0
111.11743	3.2
113.09637	2.2
117.07034	8.1
119.08612	19.1
121.06519	3.1
121.10153	41.2
123.08080	5.3
123.11725	14.7
125.09641	6.7
131.08574	13.1
133.10150	21.2
135.08069	2.5
135.11728	18.3
137.09639	4.2
137.13190	2.3
139.11214	15.5
142.07738	2.3
143.08562	4.8
145.10132	38.5
147.08058	14.1
147.11700	9.0
149.09642	2.8
149.13290	19.0
151.11166	4.7
151.89293	2.1
157.10161	7.5
159.11681	16.4
161.13283	3.3
163.11174	2.2
167.08594	2.8
167.10715	2.5
169.10176	3.1
171.11743	5.3
173.09621	2.8
173.13300	9.3
175.14905	2.8
177.12758	4.1
181.10152	3.6
183.11736	3.5
185.13283	4.5
187.13361	2.7
187.14856	7.8
191.17809	2.3
195.11830	4.4
195.13847	6.4
201.14763	2.8
203.12822	3.3
205.15921	17.9
205.19627	2.7
211.15099	2.7
213.12740	3.1
215.14297	5.9
215.17955	15.3
223.11035	2.3
223.14928	3.2
223.16925	5.0
227.14336	2.3
227.17928	2.3
233.13232	3.6
233.15405	51.2
233.18954	27.1
240.40968	2.1
251.20105	78.1
253.19968	2.0
269.08130	5.0
269.11804	10.8
269.15234	3.5
269.17468	6.5
269.18890	8.4
269.21283	3.2
269.23044	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90754	1.9
55.05518	60.9
57.03439	2.6
57.07067	4.2
59.05009	13.6
67.05508	12.5
69.03439	2.5
69.07080	10.2
70.70241	6.4
70.96230	2.2
71.04977	5.9
72.93727	2.0
74.76672	1.9
79.05495	10.8
81.06589	2.7
81.07063	41.6
82.34253	2.2
82.57362	2.0
83.04981	22.9
83.08626	7.2
85.06547	3.2
91.05484	10.4
93.07055	13.7
95.08604	15.0
97.06523	3.3
98.21473	2.5
99.04438	2.8
99.08094	9.5
101.06028	100.0
105.07027	14.2
107.08598	40.5
109.06538	3.5
109.10165	6.4
111.08135	3.9
114.95667	1.9
115.45251	1.9
117.07056	5.5
119.08586	9.6
121.10139	9.3
123.11721	90.5
125.09648	3.3
127.07564	20.3
129.05493	32.3
129.06970	3.7
131.08556	8.8
133.10129	11.0
135.08014	2.3
135.11725	4.2
137.09552	2.8
141.06967	2.6
141.12695	5.0
142.07738	2.4
143.08574	6.5
145.10144	8.5
147.06564	3.1
147.11684	9.9
149.09621	5.5
149.13272	5.7
153.09096	4.8
155.08620	3.1
156.09303	2.8
157.10133	8.5
159.11670	6.8
161.13280	2.5
163.11211	4.2
167.10530	2.5
169.10127	2.8
171.08138	2.3
171.11725	7.0
173.13306	11.8
175.11113	3.7
176.46729	2.2
180.09386	2.5
181.10216	2.6
181.12271	2.8
183.11693	4.9
185.13249	6.2
187.11105	2.6
187.14926	3.2
188.70558	2.4
191.14291	21.5
193.12326	3.6
195.11765	3.3
197.13371	2.6
199.14864	3.6
209.13269	4.3
209.15318	3.0
213.12796	3.5
213.16415	3.6
215.14328	4.8
227.18033	2.5
233.15402	12.3
251.14200	2.5
251.16306	12.5
269.12045	2.9
269.15308	7.0
269.18942	12.2
269.22614	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71857	5.1
55.05508	18.2
57.03437	13.8
57.07058	6.8
67.05511	40.5
69.07080	24.9
70.65708	10.5
71.04985	27.3
79.05490	28.6
81.07056	65.6
83.08622	11.9
87.78222	4.3
91.05486	21.1
93.07045	34.9
95.04897	4.8
95.08626	26.9
97.06540	10.3
100.87053	5.3
105.07058	22.0
107.08583	35.8
107.99841	4.9
109.10159	16.2
112.24908	5.2
115.40234	5.4
117.07047	5.6
119.08578	22.2
121.10161	17.7
123.08039	8.0
123.11674	6.8
125.09609	6.5
131.08565	19.0
133.10139	19.6
135.08105	5.8
135.11726	6.0
137.17516	5.1
143.08589	15.1
145.10120	76.3
147.08029	25.3
147.11708	7.0
149.13293	23.7
155.08615	8.0
157.10141	11.6
159.11739	20.4
161.09653	6.8
161.13255	6.2
163.11183	5.0
171.11713	9.6
173.09648	5.9
173.13316	10.4
175.14862	7.6
183.11748	8.2
185.13278	10.8
187.14870	12.5
195.13776	6.9
199.14833	5.7
205.15919	32.0
213.16458	9.8
215.14340	11.8
223.16989	10.1
233.15381	100.0
255.93098	5.8
269.18970	19.8
269.22638	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	269.1748
Annotation	Vestic acid
Peak:m/z	Relative Intensity
55.05501	4.9
57.03431	4.8
57.07057	2.6
59.11967	1.8
60.32441	1.7
64.26746	1.6
67.05506	9.7
69.07059	8.0
70.35127	4.1
70.35516	3.4
71.04996	14.3
76.79645	1.7
79.05511	9.4
81.07055	24.4
83.08608	3.8
83.34479	1.8
91.05461	8.3
93.07046	13.1
94.42097	1.7
95.04975	2.2
95.08614	12.5
97.06519	4.8
98.20899	2.0
99.08111	2.0
105.07047	10.2
107.08591	14.1
109.10137	4.7
111.04385	2.1
111.08107	2.8
113.91098	1.9
117.07006	4.0
119.08578	11.2
121.06461	2.2
121.10143	6.6
125.09573	5.6
128.64243	1.9
129.07037	2.6
130.07787	2.5
131.08563	8.2
133.10130	6.5
135.11667	5.2
137.09598	3.1
143.08577	4.7
145.10126	58.9
147.08051	27.6
147.11688	3.9
149.09615	2.1
149.13261	8.9
149.92294	1.9
155.08568	2.7
157.10150	3.9
159.11670	6.3
161.09660	2.3
161.47076	2.0
163.11185	4.6
171.11652	2.6
173.09589	2.0
173.13269	3.0
185.13170	2.0
187.14848	10.1
205.15906	34.1
215.14389	10.2
223.16939	9.8
233.15375	100.0
237.76225	1.9
251.16357	2.8
269.08087	1.9
269.17480	3.9
269.22556	8.7
270.27945	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	6alpha,7beta-Dihydroxydiihydrodrimenin
Peak:m/z	Relative Intensity
55.01868	1.8
55.05514	59.4
57.03449	1.5
57.06449	1.0
57.07057	2.5
59.05005	12.2
67.05509	5.4
69.03407	1.4
69.07075	3.0
71.04989	4.0
71.39179	1.9
79.05500	5.0
81.07066	34.1
83.04985	24.3
83.08617	4.2
85.06551	3.2
91.05488	4.5
93.07053	7.6
95.04990	1.3
95.08623	9.1
97.06548	2.0
99.04478	1.6
99.08100	9.2
101.06025	93.6
105.07031	5.9
107.08602	39.0
107.09301	2.3
109.10169	2.7
111.08076	2.5
117.07064	1.1
119.08566	6.4
121.10151	4.7
123.11720	100.0
125.09641	2.2
127.07568	17.6
127.69841	1.1
129.05486	30.9
131.08557	6.1
133.10167	9.2
135.11670	2.6
141.12779	3.6
143.08569	1.4
145.10130	3.6
147.06555	1.2
147.11678	3.0
149.09576	2.1
149.13257	5.0
153.09143	2.4
159.11644	1.8
163.11263	2.4
171.11766	2.1
173.13245	7.7
175.11198	4.2
177.12799	1.2
191.14311	20.0
193.12271	4.1
195.10196	2.9
197.13396	1.6
206.74631	1.3
209.15413	4.7
215.14418	3.1
233.15366	14.0
235.84494	1.3
251.16451	14.0
269.08054	1.1
269.11551	2.2
269.17465	7.1
269.22485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.19590	1.3
53.03954	5.3
55.01876	3.2
55.05519	22.1
57.03441	37.4
57.07068	5.3
65.03950	3.8
67.05509	83.5
69.07074	34.8
71.04989	10.5
71.52554	2.0
73.32750	1.4
79.05144	1.2
79.05495	46.3
81.07064	100.0
83.04985	13.6
83.08626	19.0
85.06554	6.4
91.05480	23.3
93.07049	80.5
95.04989	8.3
95.05482	1.4
95.08610	30.9
97.06545	19.1
97.10195	3.2
99.08089	6.2
105.07042	15.4
107.08604	42.1
109.06521	3.1
109.10165	6.7
111.08084	11.9
113.09640	1.4
117.07037	7.6
119.08585	4.8
121.06491	1.6
121.10153	28.9
123.11717	4.1
129.07039	2.1
131.08583	13.8
133.10139	10.6
135.11707	11.8
139.11188	1.9
143.08572	3.5
145.10091	2.8
147.11732	4.2
149.09677	1.9
149.13277	57.4
155.08600	1.6
157.10152	5.2
158.46118	1.3
159.11700	23.0
161.13292	1.7
169.10172	1.7
171.11679	3.7
173.13321	3.8
177.12782	10.4
181.10239	1.5
185.13264	4.1
187.14879	1.9
195.13780	13.7
199.14760	2.2
213.16525	2.0
227.17949	1.9
269.14963	3.3
269.17462	37.0
269.22406	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	269.1749
Annotation	Vestic acid
Peak:m/z	Relative Intensity
52.98123	2.1
55.05512	12.4
57.03422	2.6
67.05507	24.7
69.07069	11.4
70.25188	7.6
71.04995	21.7
71.52772	2.0
79.05490	11.5
81.06587	2.1
81.07067	33.8
83.04985	4.4
83.08620	6.0
85.06525	2.9
90.62982	2.3
91.05470	10.8
93.07053	19.4
95.04951	2.0
95.08622	18.5
97.06538	5.5
97.10155	7.3
99.08156	3.0
105.07044	10.9
107.08606	16.8
109.06541	2.8
109.10178	13.1
111.08072	4.0
117.07003	4.6
119.08562	11.3
121.10168	9.3
123.08032	3.2
123.11712	5.8
125.09640	7.2
129.07005	3.1
130.07767	3.6
131.08577	6.9
133.10173	9.4
135.11723	6.3
137.09595	3.8
145.10138	57.8
145.11290	3.1
147.08043	25.9
147.11711	4.5
149.13261	5.5
157.10226	2.3
159.11697	5.8
161.09563	2.2
163.11151	5.1
171.11682	2.2
173.09647	2.7
173.13284	3.4
181.81624	2.0
185.09618	2.0
187.14839	9.1
205.15903	43.3
215.14360	14.0
223.16965	8.8
233.15385	100.0
233.18994	4.5
234.15663	3.9
251.16386	2.2
251.20122	10.7
269.08041	2.5
269.11591	8.7
269.17563	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.88286	2.0
53.03940	4.7
55.05516	23.2
57.03443	29.3
57.07074	5.2
61.64626	1.8
67.05512	75.5
69.07074	28.8
70.69521	4.6
71.04993	6.4
79.05502	42.0
81.07062	100.0
83.04979	8.6
83.08616	16.6
85.06553	7.7
91.05478	23.4
93.07052	63.8
93.30405	2.1
95.04976	6.8
95.08610	23.3
96.37247	1.9
97.06534	12.1
99.04459	7.3
99.08090	7.2
101.06044	3.0
105.07033	14.5
107.04966	2.5
107.08597	37.5
109.06522	8.1
109.10133	10.4
110.72332	1.9
111.08071	8.5
117.07018	10.0
119.08595	10.8
121.10146	20.2
123.08090	6.2
123.11725	5.9
125.09664	1.9
129.07027	2.7
131.08565	11.4
133.10155	15.4
135.08041	3.5
135.11711	13.1
137.05896	2.4
143.08588	3.9
145.10123	8.5
147.11687	9.7
149.13264	46.0
149.14375	3.4
151.11235	3.0
157.10149	5.7
159.11710	21.1
163.11185	2.9
171.11768	2.5
173.13271	6.5
175.11217	3.0
177.12755	8.6
185.13301	3.5
187.14851	7.5
192.15118	3.6
195.13861	10.5
196.36356	2.2
199.14677	2.4
223.14783	3.0
233.15468	11.8
251.16479	6.6
269.08212	3.9
269.11566	4.5
269.17300	33.3
269.22684	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	269.1174
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
51.02381	0.5
53.03952	0.9
55.01869	0.7
55.05517	0.6
57.03451	0.3
67.05508	1.1
69.03418	0.7
69.45291	0.3
71.23056	0.6
72.83833	0.3
77.03939	0.5
79.05490	3.2
81.07068	1.6
83.04977	0.7
84.08197	0.3
91.05481	4.7
93.07054	1.1
93.39684	0.3
95.04977	2.1
95.08624	1.1
97.06520	0.5
103.05471	1.5
105.04488	0.4
105.07013	1.6
107.04961	100.0
107.08603	1.0
108.05299	0.7
109.06530	1.3
115.05462	16.1
115.06277	0.8
117.07028	3.8
118.81982	0.4
119.04928	1.9
119.08591	0.9
121.02877	2.7
121.06503	1.1
121.10136	0.5
122.03664	0.6
123.08015	0.4
125.09620	0.5
127.05424	0.6
129.06981	0.3
130.04193	0.5
131.04948	3.5
131.08542	0.7
132.05745	0.3
133.06538	0.4
133.10132	0.7
135.08008	0.7
137.05992	12.9
141.07027	0.5
143.04933	16.5
144.05688	1.3
145.06497	14.5
145.10126	0.8
146.10426	0.3
147.04419	1.0
147.08041	1.7
147.11702	0.6
149.06064	0.5
149.09619	1.1
151.07512	0.4
152.06229	0.5
153.06958	0.9
155.06046	1.4
157.06538	0.5
157.10077	0.4
157.56673	0.9
160.05258	2.1
161.05986	0.8
162.06769	1.1
163.07491	1.0
164.07047	0.3
165.06967	2.7
166.07782	3.0
167.08624	0.6
167.10670	0.9
169.06519	0.4
170.10416	0.6
171.56470	0.5
173.09555	0.4
173.13182	0.4
175.06041	0.6
175.07565	10.7
175.11191	1.2
177.06871	0.4
179.08661	0.5
181.06525	3.5
181.10101	1.8
182.07213	0.8
183.08040	0.8
187.07509	0.7
187.57733	1.4
188.11549	0.9
189.07013	0.8
190.07809	2.3
191.08536	6.0
191.14348	0.4
192.09236	0.5
194.07272	8.4
195.08052	1.4
197.05966	1.4
202.07854	0.5
205.06557	0.5
207.08047	1.2
208.08806	1.2
209.06050	0.9
209.09624	14.4
210.06810	0.6
210.10080	0.4
211.07532	1.6
211.11346	0.4
212.08084	0.4
213.08917	0.4
216.10881	0.6
218.07225	1.1
219.08066	3.2
220.08778	0.7
221.05844	0.5
222.06786	1.3
223.07539	1.1
225.05501	0.7
233.15385	1.4
234.12082	0.8
234.98637	0.4
235.07576	0.8
236.08360	1.3
237.09099	13.8
238.09799	0.6
238.60013	0.3
239.07057	3.5
240.07822	1.4
241.08626	1.4
251.10664	1.0
251.16321	1.3
252.13113	0.9
252.59886	1.3
253.08594	0.7
254.09338	1.9
268.11017	0.4
268.61081	1.3
269.11728	60.1
270.12073	0.9
294.76834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1173
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
51.02396	0.2
51.31381	0.2
53.03943	0.7
55.01888	0.3
65.03957	0.2
67.05483	0.2
69.67552	1.2
77.03935	0.5
79.05493	2.0
81.03407	0.5
81.07053	0.6
81.09132	0.2
91.03158	0.2
91.05481	1.7
93.07028	0.5
95.04950	1.3
98.20612	0.2
103.05490	1.1
105.04536	0.5
105.07061	0.4
107.04960	100.0
108.05294	0.8
109.06509	0.6
109.10149	0.2
115.05459	7.9
116.06251	0.5
117.07028	2.0
119.04961	0.3
119.08600	0.3
122.03643	0.5
125.06089	0.2
129.06998	0.3
131.04936	2.7
131.08614	0.4
132.05672	0.3
133.06505	0.4
133.10101	0.2
135.08083	0.2
137.05983	8.7
143.04930	10.5
143.08621	0.3
144.05727	1.3
145.06491	8.8
145.10120	0.5
147.04437	0.4
147.08080	0.4
147.11707	0.3
149.09425	0.2
152.06230	0.3
153.07025	0.3
155.06030	0.8
157.10080	0.2
159.11710	0.4
160.05205	3.5
161.05995	0.5
162.06758	0.7
163.07553	1.5
165.06964	1.3
166.07794	1.1
167.08542	0.4
169.10165	0.4
173.13358	0.3
175.07552	13.1
176.08295	0.2
179.08607	0.3
181.06497	1.6
181.10074	1.2
183.08023	0.2
187.11165	0.5
189.07007	0.5
190.07794	1.1
191.08574	3.6
193.06657	0.2
194.07286	4.5
195.08043	1.0
196.58708	0.2
196.89909	0.2
197.05998	0.7
201.05515	0.5
205.06483	0.3
207.08054	0.3
209.09636	9.1
211.07607	0.4
215.10469	0.2
218.07233	0.5
219.08070	2.2
220.08577	0.2
221.05769	0.2
222.06776	0.5
223.07542	0.6
225.05551	0.2
233.15494	0.3
236.08167	0.3
237.09125	12.9
238.09863	0.9
239.07040	0.8
240.07829	0.6
241.08617	0.5
251.12947	0.2
251.16411	1.0
254.09442	1.4
269.11734	42.9
270.11948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20230	1.2
55.05513	1.9
56.71732	1.3
67.05513	5.5
68.97131	1.4
69.07067	4.7
71.04995	1.6
71.54659	2.0
79.05492	4.5
81.03442	3.4
81.07060	20.4
83.08662	1.6
85.06541	2.6
91.05453	7.7
92.41335	1.2
93.07040	8.6
95.04951	2.2
95.08612	16.6
97.06541	2.6
99.04457	2.3
103.02789	1.3
105.07035	16.6
107.08589	7.3
109.02894	3.8
109.06487	1.9
109.10176	2.9
113.19882	1.5
113.94638	1.3
117.07027	5.8
119.04956	2.2
119.08591	8.8
121.06488	1.7
121.10150	3.4
123.04420	1.6
123.11687	6.0
125.16803	1.3
131.08560	11.0
133.06496	3.5
133.10126	6.2
135.11688	2.6
136.06197	5.1
137.06012	6.6
137.09561	1.6
143.08574	4.0
144.08980	1.7
145.10152	9.9
147.11716	7.3
151.07552	15.2
155.08543	2.3
157.10150	3.3
159.11716	6.0
161.13263	5.6
163.07623	2.4
163.11200	1.4
164.48549	1.4
169.10199	3.2
171.11603	3.6
173.13255	4.2
175.11220	1.9
176.11874	1.3
177.09067	5.3
185.13275	1.4
187.11200	2.3
187.14822	25.0
189.12766	3.4
197.13237	4.4
204.52713	1.8
205.15921	2.4
215.14357	16.4
228.23790	1.4
233.15385	100.0
250.18222	1.4
251.16479	15.8
268.06671	1.9
268.10208	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.9
55.35478	1.6
64.20496	1.8
67.05534	9.7
69.03427	2.8
69.07072	7.9
70.62475	2.0
71.04989	3.2
71.55916	2.4
79.05496	8.5
81.03403	2.6
81.07075	12.4
83.05004	2.3
83.08625	1.9
89.06017	2.2
91.05476	9.6
93.07040	10.4
95.04968	4.0
95.08612	16.4
97.06528	15.7
105.07027	11.5
107.08615	11.4
109.06505	3.6
109.09499	2.3
109.10144	12.4
115.05460	2.1
117.07011	19.9
119.08594	21.9
121.06493	4.0
121.10130	4.4
121.86380	1.7
129.07016	5.5
131.08582	39.9
132.08881	2.0
133.06430	2.4
133.10168	7.2
135.08051	3.8
135.11723	5.9
136.06177	6.5
137.09610	6.4
143.08620	2.8
144.09128	2.1
145.06522	6.2
145.10107	18.0
147.04475	3.3
147.11656	1.8
155.08598	4.4
156.09413	2.9
157.10120	3.9
158.10780	2.0
159.08089	2.1
159.11703	5.3
161.13367	2.1
163.07568	20.5
165.09082	2.2
167.08620	2.4
169.10088	4.1
170.06017	2.1
171.11751	13.6
172.12099	2.2
173.09607	5.5
173.13283	64.6
177.09091	2.5
183.11639	1.9
187.14822	20.4
191.08574	2.5
197.13197	9.9
205.15796	3.6
215.14323	21.7
221.09654	2.3
233.15382	100.0
250.15382	2.8
251.16428	11.2
252.09587	2.0
268.06247	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	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.33202	0.2
54.03258	0.2
55.01869	0.4
57.03445	0.6
61.20496	0.2
67.16436	0.2
69.03425	0.3
69.65929	1.0
73.02917	0.3
85.02911	0.7
94.04077	0.2
97.02924	0.4
104.10744	0.3
119.01846	0.2
119.03590	0.8
130.46890	0.2
133.04962	0.2
136.06197	100.0
137.04593	0.4
137.06622	0.3
144.95859	0.2
151.05679	0.2
186.57423	0.2
203.78667	0.2
239.16095	0.2
268.10413	6.1
268.16501	0.6
278.76068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.28539	0.1
52.24859	0.2
55.01882	0.2
57.03436	0.4
61.86981	0.2
69.03436	0.2
70.13783	0.3
70.14162	0.6
70.46161	0.1
73.02927	0.3
85.02910	0.2
94.04050	0.3
98.21574	0.2
115.03980	0.2
119.03512	0.8
133.04962	0.2
136.06195	100.0
137.04616	0.3
137.06554	0.4
153.45648	0.2
268.07596	0.3
268.10413	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	267.1593
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
52.08012	2.2
55.01856	2.6
55.05505	7.3
57.03432	2.8
66.62417	2.2
67.05508	15.3
67.12619	2.0
69.03419	5.3
69.07057	7.2
69.98051	9.8
71.04987	24.1
79.05488	16.5
81.03409	2.7
81.07071	11.2
83.04967	4.5
91.05484	28.0
93.07045	24.0
95.04967	6.5
95.08617	16.0
97.06514	4.7
99.04463	3.5
105.06388	4.6
105.07036	54.3
107.04948	2.6
107.08607	40.2
109.06502	7.5
109.10152	5.5
111.08002	2.1
115.05476	2.2
117.07017	10.8
119.08592	24.3
121.06485	4.7
121.10161	13.1
123.08070	5.2
125.09618	6.8
128.06212	6.5
129.07022	4.9
131.08611	16.8
133.06444	4.8
133.10138	73.7
135.08095	10.8
135.11716	3.8
137.06004	3.2
137.09592	4.8
143.08563	24.5
145.10120	8.8
146.07332	2.5
147.08035	4.5
147.11742	4.8
149.09631	16.7
151.07559	8.3
151.11185	7.4
153.06963	4.2
155.08568	2.9
157.10118	6.0
159.11691	10.1
161.09631	65.7
161.13254	10.5
163.07538	7.0
165.09084	3.4
167.10741	3.0
170.10901	2.7
171.11623	4.7
175.11148	3.6
177.09059	2.4
179.10695	32.8
185.13268	9.7
187.11224	2.6
189.09004	2.5
189.12799	9.4
191.10721	3.2
195.13843	3.9
203.14316	7.7
205.12231	15.8
207.13861	2.4
213.12653	3.1
221.15422	3.9
231.13770	18.6
239.07045	12.0
249.14890	25.0
267.06497	9.7
267.15921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Connatusin B
Peak:m/z	Relative Intensity
53.03937	4.3
55.01861	4.8
55.05508	9.1
60.18085	1.3
65.03941	2.1
67.05508	13.7
69.03419	5.9
69.07068	5.6
70.47380	6.3
71.04984	3.8
79.05122	2.1
79.05500	20.0
81.03390	1.5
81.07059	55.4
83.04977	5.0
83.08614	2.8
85.06544	2.4
91.05480	15.1
93.07047	20.9
95.04960	6.4
95.08614	21.8
97.06544	9.1
97.07059	1.4
99.04449	3.9
100.11253	2.9
101.06035	2.7
105.07033	28.5
107.04948	9.2
107.08591	23.3
109.06521	16.5
109.10149	6.7
111.08057	4.4
115.05434	4.2
117.07043	8.8
119.04937	2.2
119.07776	2.4
119.08588	27.0
121.06496	4.1
121.10125	8.0
123.04463	2.8
123.08069	13.4
125.05983	4.0
127.07578	7.8
128.06200	7.7
129.07013	26.9
131.08562	15.5
132.22021	1.6
133.06493	3.1
133.10173	13.0
135.08023	6.6
135.11691	4.7
137.05977	3.2
137.09579	2.3
141.04187	1.5
141.06982	7.3
142.07756	7.0
143.08566	32.3
144.09288	2.3
144.65817	1.8
145.06494	2.5
145.10120	28.4
147.08043	6.9
147.11653	10.5
149.06006	1.9
149.09615	5.6
149.13220	2.3
151.07532	6.5
152.06207	8.3
153.06984	13.1
154.07727	2.0
155.08548	12.0
156.09393	11.0
157.06503	3.6
157.10123	17.8
159.11688	12.6
161.06003	2.8
161.09627	4.3
161.13246	5.8
163.07552	2.8
163.11140	3.6
165.07022	10.5
167.07158	2.1
167.10724	3.8
169.06482	2.6
169.10144	4.9
170.10945	3.2
171.08142	2.4
171.11696	88.9
172.12178	1.8
173.09593	6.8
175.07584	6.4
175.11162	2.0
175.14857	2.8
177.05583	1.9
177.12784	2.1
179.08609	3.4
181.06499	10.1
181.08023	1.6
181.10092	2.1
182.07086	1.7
183.08046	7.9
183.11699	4.0
185.09599	2.3
185.13248	32.2
186.13599	2.0
187.07616	2.3
187.11150	2.5
187.14996	2.0
189.09140	3.6
189.12758	100.0
190.13226	1.7
191.10710	4.6
195.08014	2.3
195.11638	10.9
201.12711	3.7
203.14282	11.0
205.12210	2.4
207.07108	2.1
207.13870	2.9
208.08827	3.5
209.05978	5.0
209.09776	2.8
209.11714	15.6
211.07521	3.0
213.12773	19.6
219.13748	2.1
223.07462	2.6
224.08267	5.4
227.90494	1.6
231.13805	76.2
232.14203	3.6
236.08125	2.1
237.05457	2.0
239.07048	76.9
239.09583	4.0
249.14873	18.5
251.06905	3.7
252.07715	2.2
267.06519	52.2
267.09869	19.1
267.15860	32.3
267.21240	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Connatusin B
Peak:m/z	Relative Intensity
53.03965	3.4
55.01872	6.0
55.05507	9.2
67.05500	11.6
69.03394	4.1
69.07063	6.9
69.50674	19.0
69.51103	5.4
72.08135	2.8
73.08463	3.7
79.05491	12.6
81.03407	5.1
81.07084	16.5
83.04990	4.9
91.05492	26.6
93.07066	22.4
95.04956	10.7
95.08605	20.9
95.33575	3.8
97.06543	5.7
103.05446	3.3
105.07048	52.6
107.04934	3.2
107.08595	17.3
109.02878	4.7
109.06475	5.6
109.10149	14.0
115.05470	3.9
117.07027	16.9
119.08587	30.9
121.02857	3.7
121.06561	4.5
121.10143	11.1
121.40786	3.4
123.04449	8.4
127.03982	3.7
128.06256	7.6
129.07011	15.0
131.08562	18.3
133.06519	17.3
133.10106	15.9
135.08026	4.4
135.11754	7.2
135.40930	3.1
137.06004	4.3
138.85855	3.1
141.07019	4.1
142.07756	6.4
143.08585	22.6
144.46606	3.3
145.10143	25.9
147.08093	6.8
147.11694	19.6
149.09596	3.2
150.07774	3.2
151.07578	9.5
156.09346	5.1
157.10133	16.6
159.08063	3.9
159.11714	38.6
161.05956	11.8
161.09590	15.0
161.10770	3.1
161.13254	19.5
163.07654	4.2
163.11185	3.1
165.06989	4.0
170.10886	3.6
171.08025	6.8
171.11705	28.2
173.09575	6.2
175.07547	11.3
175.11186	3.6
177.05498	4.5
177.12762	11.9
185.13275	48.9
189.12772	32.9
193.08609	10.6
195.11653	5.8
201.12785	4.0
203.10651	5.2
203.14302	17.7
203.15714	9.0
207.08072	8.6
207.13696	4.6
213.12766	15.9
219.13934	5.4
219.98013	3.2
231.13545	37.0
235.07498	10.3
239.09714	3.6
241.44116	3.1
249.14859	100.0
267.06393	9.7
267.09894	9.6
267.12497	6.0
267.16779	38.4
285.55606	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	267.1018
Annotation	Typharin
Peak:m/z	Relative Intensity
53.03947	1.0
55.01878	0.5
65.03954	0.4
69.28631	2.4
71.62742	0.2
77.03939	0.5
79.05509	1.9
81.03433	0.5
91.05491	1.1
93.07057	0.5
95.04981	1.6
95.08612	0.3
103.05498	1.4
105.04540	0.4
105.07014	0.6
107.04966	100.0
108.05302	0.7
109.06535	0.2
110.69611	0.2
115.05465	12.5
116.06136	0.3
117.07014	1.9
119.04926	0.3
119.08604	0.4
121.02921	0.5
121.06496	0.3
126.70055	0.2
127.05354	0.2
129.07010	0.4
130.04137	0.3
131.04936	3.7
131.08533	0.6
133.06599	0.3
133.10117	0.2
134.18074	0.2
135.04425	6.9
135.05420	0.4
141.06982	0.3
142.07736	0.2
143.04939	13.0
143.08627	0.4
144.05705	0.8
145.06511	7.0
147.08072	0.3
149.02359	0.2
149.05966	0.3
153.07021	0.6
155.06087	0.5
157.10184	0.5
159.08075	0.3
160.05226	0.5
161.05994	3.6
165.07008	1.2
166.07843	1.9
167.03433	0.3
167.08606	0.6
168.05714	0.2
169.06485	0.3
170.07274	0.3
173.05998	13.9
174.06833	0.4
175.11153	0.4
178.07715	0.3
179.08801	0.3
181.06511	2.0
181.10114	1.3
185.09653	0.9
185.13298	0.3
189.07127	0.6
190.07742	1.2
191.08583	5.0
194.07295	6.0
194.09119	0.3
195.08081	1.1
197.06006	0.4
201.28273	0.3
203.10750	0.5
205.06528	0.4
207.08145	0.6
208.08879	0.3
209.06296	0.4
209.09641	11.0
211.07523	0.4
213.09215	0.6
213.12206	0.2
218.07312	0.7
219.08089	2.2
222.06813	0.7
223.07521	0.5
224.08345	1.0
231.13828	0.3
235.07634	0.3
236.08171	0.4
237.09138	13.0
238.06339	0.8
239.07103	0.9
239.10043	0.5
239.16386	0.3
249.11197	0.9
249.14940	0.3
252.07816	1.8
266.13742	0.2
267.10187	57.0
268.10611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Lactarorufin E
Peak:m/z	Relative Intensity
53.03943	3.6
53.99008	3.0
55.01875	3.9
55.05516	4.1
62.90882	2.5
67.05507	9.9
69.03430	3.2
69.07076	3.8
70.04508	11.8
70.50292	3.0
76.21844	2.2
79.05495	8.4
79.83823	2.5
81.03426	4.4
81.07069	17.8
83.54498	2.3
91.04997	3.0
91.05466	17.5
93.07049	14.5
95.04993	7.6
95.08629	13.5
105.03403	4.1
105.07036	24.9
107.04945	3.2
107.08607	12.2
109.02906	5.5
109.06497	4.0
109.10173	7.5
109.92468	2.1
111.04446	2.5
115.05487	10.0
117.06992	14.0
119.08604	17.0
121.06487	3.7
121.10128	13.0
123.04467	6.4
123.08076	4.0
128.06258	4.7
129.07027	12.4
131.08597	11.1
133.10167	11.7
135.08073	3.1
136.06169	13.1
137.05835	22.4
142.07838	3.0
143.08594	21.9
145.02908	2.7
145.10139	17.3
147.08127	3.4
147.11716	15.4
151.07568	2.9
152.06140	2.6
156.09441	3.2
156.33911	2.3
157.10164	10.9
159.11688	11.8
161.05997	4.3
161.09639	7.9
161.13303	11.2
163.07726	3.0
165.06958	4.5
167.08589	4.2
170.10928	3.3
171.08124	3.6
171.11702	24.8
175.07581	7.3
177.05525	6.7
178.05910	9.3
178.07817	19.4
179.08597	30.4
180.09378	2.8
181.06519	6.0
184.10922	2.6
185.13280	33.1
187.14774	2.7
189.07016	6.6
189.12785	22.5
193.06525	3.8
195.07976	4.1
195.11723	5.7
196.08839	5.1
201.12953	2.7
203.14345	11.7
205.06508	3.6
206.07338	4.0
207.08105	52.1
209.05917	3.1
213.12775	8.4
221.06027	3.4
223.07588	5.0
224.08405	16.1
231.13826	34.3
234.06793	4.5
235.07582	34.3
236.08333	8.8
239.07141	5.5
239.10762	13.4
249.14867	94.9
252.07619	13.0
267.07089	5.1
267.10208	100.0
267.16226	17.5
268.10400	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	266.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
67.05498	6.3
69.07088	1.4
69.92903	5.8
71.06686	1.3
79.05496	3.9
81.07070	10.7
83.08612	3.2
91.05461	9.5
91.55823	1.4
93.07049	11.3
95.04978	3.0
95.08611	17.5
97.69338	1.5
103.05491	1.9
105.07030	14.3
107.08599	5.6
109.10138	2.0
115.05533	1.9
117.07040	6.6
119.04963	2.1
119.08593	8.9
120.64683	1.3
121.06499	1.8
121.10143	1.8
128.06194	2.4
129.07022	8.1
131.08624	10.1
133.10143	10.7
137.05994	2.6
143.08580	16.9
145.10117	9.6
147.08070	2.3
147.11659	4.0
147.23833	1.6
148.12029	1.6
149.06015	3.6
155.08582	1.9
156.09360	1.5
157.10133	16.6
159.11714	9.2
161.09561	2.1
165.07039	1.9
165.09137	1.6
169.10016	2.2
170.10873	2.7
171.07999	2.9
171.11639	2.8
173.00092	1.5
173.09608	3.4
173.13339	1.6
175.07547	6.0
175.14864	12.7
175.39348	1.5
178.66176	1.3
185.09685	2.3
185.13268	48.4
187.14821	3.8
189.09155	3.2
195.11716	4.5
201.12781	2.5
201.37193	1.5
203.10641	1.4
203.14330	17.6
213.12767	20.9
219.13835	3.4
221.15460	2.6
231.13818	100.0
249.12383	2.7
249.14868	33.6
266.17645	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	266.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27484	4.0
62.81419	4.0
67.05512	4.6
69.03381	4.3
69.07076	5.2
69.79732	21.5
79.05507	10.6
81.07053	19.8
91.05498	23.7
93.07044	14.7
95.08628	9.3
98.20838	9.0
105.07030	32.8
107.08582	10.7
109.02821	5.3
117.07018	22.3
119.08557	14.7
121.06503	6.1
128.06212	10.1
129.07002	25.6
131.08611	25.8
133.10147	9.9
137.59044	4.3
142.07764	9.1
143.08569	50.2
145.10191	23.6
151.07419	5.3
155.08597	6.7
157.10173	27.7
159.08208	4.8
159.11682	17.4
164.61717	4.2
171.08069	7.1
172.44112	4.3
173.13316	7.6
175.07623	7.5
175.14822	8.5
183.11714	8.7
185.13272	100.0
189.09105	4.8
195.11763	21.0
202.13034	6.3
203.10544	5.5
203.14355	53.8
205.12308	5.9
213.12799	44.4
219.13818	7.3
220.14105	6.8
231.13840	92.2
242.68507	5.0
249.14906	44.6
283.01413	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	266.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68091	0.9
55.01870	2.1
57.02000	1.0
61.58220	1.0
69.03439	1.6
69.37793	8.8
71.04970	2.6
91.05480	3.0
93.07023	1.3
99.04440	6.5
105.07023	1.8
107.04955	1.7
109.02887	1.7
115.05510	1.7
117.07024	3.2
119.08529	1.9
121.06490	4.0
129.07001	6.7
131.08560	4.5
141.07004	2.8
142.07816	10.1
143.08589	4.9
145.06461	4.8
146.07239	2.8
152.06136	2.2
155.08563	1.3
157.06512	2.5
157.10159	10.5
159.06827	2.1
159.08067	28.3
161.09653	1.1
165.07040	3.4
166.07536	2.5
167.08563	9.3
169.06485	2.9
170.07289	9.9
171.08029	2.7
175.11275	1.2
177.06877	4.5
178.07347	14.3
183.08063	2.1
185.09630	65.4
190.07431	1.9
191.08270	1.5
192.08917	1.3
194.07208	4.3
195.07745	20.7
198.06776	3.5
203.10620	6.9
205.06514	6.3
206.06830	34.6
207.07555	1.1
213.09114	39.7
220.08504	1.4
222.06580	3.4
223.07120	19.1
231.10181	35.6
234.06340	15.0
235.07129	1.5
237.09193	2.6
238.09462	45.5
239.07137	2.5
249.09026	0.9
249.11229	47.3
251.06689	5.4
266.08954	100.0
266.20035	1.4
267.09692	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38210	0.3
57.03436	1.0
58.06617	0.5
59.05027	0.5
60.08165	6.4
61.02927	1.2
69.03433	4.2
69.71518	2.0
73.02927	3.2
74.58206	0.3
81.03431	1.2
81.93859	0.3
85.02909	5.7
87.04471	7.5
87.04967	0.6
97.02879	1.7
98.20729	0.4
99.04456	3.0
103.03947	0.6
104.10748	43.8
109.02890	1.2
127.03942	1.6
129.05489	0.7
134.13496	0.3
138.12421	0.3
145.04984	0.4
220.49925	0.3
266.09647	7.4
266.15991	100.0
267.16330	0.8
280.98227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01858	1.3
55.05516	55.4
57.03432	3.7
57.07080	25.6
65.03944	1.6
67.05511	55.8
69.07073	75.2
70.17342	4.6
71.04998	5.1
71.08639	9.2
79.05059	2.1
79.05494	30.0
81.07063	62.9
83.04974	2.7
83.08624	51.9
85.06530	4.4
85.10195	6.0
91.05479	7.1
93.06473	1.9
93.07051	37.9
95.04984	1.4
95.08613	61.4
97.06542	16.2
97.10175	35.9
99.08094	3.7
105.07034	3.4
107.05032	1.5
107.08609	26.2
109.10162	30.8
111.08105	10.6
111.11738	13.9
113.09617	1.4
117.07013	2.2
119.08616	2.3
121.10153	49.7
123.11736	11.8
125.09599	4.2
125.13252	2.4
127.11164	1.5
131.08571	1.3
133.10103	2.6
135.07974	1.3
135.11700	41.3
137.13277	5.6
139.11179	2.7
143.08527	2.1
145.10118	1.8
149.13264	17.5
151.14841	6.0
159.11676	2.3
161.09689	2.6
163.14845	8.1
165.16458	5.4
169.15930	1.4
177.16374	4.2
181.10175	1.5
183.11685	2.7
191.17947	3.0
201.12796	1.9
205.12372	2.0
205.19579	1.4
224.28473	1.0
229.12314	2.9
247.13290	4.0
247.24225	38.3
255.17998	1.2
265.14340	2.1
265.19653	2.3
265.25296	100.0
266.25882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2528
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03946	1.7
53.35056	0.9
55.01869	1.8
55.05513	59.9
57.03434	3.1
57.07078	25.1
57.07513	0.9
58.06601	1.8
58.73538	0.8
60.04527	1.3
62.96174	0.8
65.03951	2.0
67.05510	65.0
69.03429	1.0
69.07072	84.1
69.51614	4.8
69.52036	1.9
70.44325	0.9
71.04996	5.0
71.08632	13.6
79.05495	35.5
81.07062	73.9
83.04989	2.6
83.08624	59.4
85.06554	3.8
85.10184	5.5
91.05474	9.4
91.05952	1.0
93.07050	42.9
95.04987	1.6
95.08612	71.8
97.06542	17.9
97.10175	40.8
98.21499	1.0
99.08104	4.4
103.05424	1.0
105.07041	8.0
107.08597	27.4
109.06519	2.5
109.10163	34.3
111.04496	1.0
111.08091	13.3
111.11728	15.7
113.09679	1.7
115.58786	0.8
117.07040	3.2
117.70559	1.1
119.08586	6.7
121.06518	1.1
121.10150	60.0
123.08107	1.3
123.11711	13.0
125.09655	3.5
125.13300	3.7
128.06207	0.9
129.07040	1.9
130.07805	0.9
130.80267	0.8
131.08591	5.3
133.10132	4.1
135.11703	44.1
137.13274	5.5
139.11206	3.4
141.07021	3.0
141.12788	1.2
142.07770	1.1
143.08540	4.6
145.06519	1.1
145.10168	4.3
147.08131	1.0
149.09720	1.0
149.13271	18.8
151.14830	6.4
152.33566	1.0
153.12767	1.1
155.08585	3.5
155.14267	1.6
157.10201	3.9
159.11739	3.2
161.09688	1.2
163.07550	1.1
163.14838	8.1
165.06998	2.4
165.16394	8.6
166.07928	1.1
167.08614	3.0
168.09387	2.1
169.10184	4.0
169.15971	1.2
171.11708	2.2
173.13287	2.2
173.57132	0.9
177.12860	1.1
177.16435	3.3
179.08609	2.0
180.09338	1.1
181.10155	5.1
183.11711	4.5
185.13271	0.9
187.11212	2.1
189.09174	1.2
191.18001	1.9
193.10197	1.8
194.07286	1.1
194.10971	1.7
195.11708	8.6
197.13173	1.2
200.35666	1.0
201.12836	2.3
205.06531	1.2
205.12360	2.1
205.19658	2.0
207.10017	1.1
207.11803	1.6
209.13280	7.3
219.13818	1.5
223.14833	4.3
229.12315	3.2
235.14832	1.1
237.09280	1.4
237.16603	1.6
247.13374	3.8
247.24239	38.5
250.17068	1.0
265.08670	2.8
265.12125	1.0
265.14569	1.7
265.19601	24.8
265.25372	100.0
266.25864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.03957	0.5
55.01880	0.6
55.05515	12.8
55.62178	0.4
56.05038	0.6
57.05805	0.9
65.03941	0.6
66.50243	0.3
67.05508	0.9
69.03436	1.5
69.07076	0.4
70.06612	0.4
71.05012	0.4
71.55515	0.6
72.08159	100.0
79.05491	0.8
81.03419	0.7
81.07040	0.8
83.05003	0.4
85.02927	0.4
89.03924	0.8
89.10801	0.8
91.05490	2.7
93.07059	3.3
94.06543	0.4
95.04985	1.2
97.02908	4.5
103.05479	1.2
105.07030	2.4
107.08618	0.9
109.02869	0.4
109.06513	1.0
109.10153	0.8
111.04466	0.7
113.06004	0.4
115.05479	0.9
117.03394	2.9
117.07024	1.2
119.08602	2.2
120.08115	12.9
121.02902	0.9
121.06516	5.4
121.10189	0.4
122.07185	0.7
123.07967	2.1
124.07616	0.7
128.06296	0.4
129.07037	1.4
131.04959	1.4
131.08595	1.7
133.06499	0.7
133.10135	1.1
135.04527	0.5
135.08069	2.1
137.06061	0.6
137.09592	0.4
139.03923	0.5
141.07037	0.8
143.08569	0.5
144.05775	1.0
145.02846	8.7
145.06511	1.6
145.10161	1.2
147.08122	1.5
147.11740	0.6
149.05980	2.8
149.09695	0.5
150.07739	0.6
151.07585	1.1
155.08582	0.9
157.10149	0.6
158.07253	0.9
159.08083	2.1
159.11714	1.6
160.05191	0.5
161.09666	1.3
163.03946	0.6
163.07535	2.4
163.12340	0.7
165.07068	1.0
165.09171	0.5
165.51854	0.4
166.08716	9.6
167.07146	0.5
173.06024	0.7
173.09634	0.8
173.13348	0.6
174.11670	0.4
175.07593	1.8
175.11154	0.8
176.06227	0.6
177.05511	17.5
177.07030	3.4
177.09059	0.7
179.08669	0.6
181.08609	4.0
181.10056	0.6
183.11792	0.7
187.07593	1.1
187.11273	1.1
189.07115	0.5
189.09067	0.8
190.07779	0.4
191.07103	0.7
191.08630	2.5
193.08698	0.8
194.07280	5.0
201.09169	1.4
201.12582	0.6
201.14145	0.7
203.10724	0.8
205.04631	0.6
205.06529	9.0
205.08388	0.8
205.12314	0.7
206.07306	0.6
207.10135	0.6
209.09686	1.0
219.08061	1.3
219.10124	0.8
219.14943	1.2
221.06024	0.7
222.06790	6.0
223.07533	0.4
229.08565	0.8
229.13315	1.2
233.06122	2.1
233.08046	0.4
234.06795	1.3
237.09096	11.3
237.11337	0.8
247.09676	1.9
247.14635	3.6
248.12881	1.3
250.06277	1.9
265.08646	21.5
265.10995	1.7
265.15543	10.7
266.09274	0.8
266.16034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
53.03945	1.2
55.01869	1.6
55.05508	3.3
57.03447	1.5
57.07060	1.5
59.04999	1.5
67.05520	6.2
67.91862	1.1
69.03418	2.8
69.07056	3.9
70.99755	2.5
71.04988	4.6
78.97118	1.0
79.05503	9.6
80.05782	1.1
81.03417	2.8
81.07053	8.3
83.04964	1.5
85.02921	1.8
85.06551	1.6
89.04932	1.1
91.05482	24.5
93.07050	11.7
95.04974	5.5
95.08603	6.6
97.06506	2.6
99.04466	1.1
103.05452	1.7
105.07043	18.2
107.04955	2.8
107.08607	13.9
109.02881	3.9
109.03680	1.0
109.06520	4.0
109.10173	3.0
111.04485	1.2
112.50130	1.1
115.05463	9.1
117.07027	100.0
119.08575	19.9
121.06507	4.8
121.10149	5.2
122.07138	3.7
123.04474	1.7
123.08089	2.7
125.06013	2.4
128.06200	3.4
129.07043	6.1
131.08580	27.6
133.06480	3.1
133.10139	8.8
135.08080	10.3
135.11739	1.7
137.05919	2.4
137.09613	2.0
139.07552	1.5
141.07027	2.4
142.07759	4.6
143.08585	10.0
144.04808	1.4
144.09407	1.9
145.06480	15.4
145.10130	12.6
147.08044	3.8
147.11768	6.9
149.05978	3.3
149.09631	2.6
149.13237	1.3
151.07547	2.0
155.08565	4.5
156.09119	1.4
157.10167	7.7
158.10963	2.7
159.08072	7.7
159.11708	9.3
161.09625	3.5
163.07564	10.0
168.09395	4.5
169.10066	2.7
171.08051	1.7
171.11580	2.5
173.06029	5.0
173.09615	4.1
173.13292	24.9
175.07489	1.9
175.11197	5.2
177.09111	2.9
181.10004	1.5
183.11719	15.9
184.12109	1.7
185.09639	1.4
185.13277	2.7
187.07581	1.5
187.11224	7.6
189.09091	3.2
191.07042	74.9
193.10172	2.2
194.07207	1.5
195.11755	1.4
201.09245	1.7
201.12787	17.8
201.16432	1.3
205.06656	2.2
205.08592	3.0
205.12218	6.3
205.15871	1.5
209.08075	10.6
209.09729	1.6
209.13194	1.5
211.11201	4.4
213.12601	1.4
219.11800	2.3
219.13818	26.6
222.06674	1.4
229.12259	14.8
230.12584	2.0
237.09126	2.3
247.13293	34.2
265.08765	5.8
265.11609	2.1
265.14288	22.4
265.19339	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	Abscisate
Peak:m/z	Relative Intensity
52.56174	2.5
67.05503	4.9
67.31631	1.9
69.03434	3.0
69.07081	2.2
70.07939	8.6
71.04989	3.7
79.05490	8.9
81.07073	17.9
91.05488	9.2
93.07042	10.2
95.04967	4.3
95.08646	3.5
104.91056	1.8
105.07033	24.4
107.04961	3.1
107.08608	5.6
109.06551	10.0
115.05476	1.9
117.07057	9.7
119.04981	2.9
119.08605	8.2
121.06525	3.7
121.10130	3.0
123.08082	3.8
127.07554	8.6
128.06216	8.8
129.07048	4.8
130.07774	2.5
131.08568	14.9
133.10196	10.3
135.08066	4.8
135.11607	2.4
137.05925	6.0
141.07016	7.9
142.07721	2.2
143.08563	29.3
144.09349	2.9
145.06483	4.7
145.10120	21.9
147.08122	2.5
149.09593	9.8
154.07774	3.6
155.08578	6.7
157.10075	4.3
159.08064	6.6
159.11719	18.5
161.09644	29.8
163.07555	2.1
165.06931	1.9
168.09398	4.8
169.10127	29.9
171.08084	8.1
173.06036	2.0
173.13361	3.3
175.11346	2.0
177.06999	6.2
177.12701	10.7
183.11717	11.9
185.13306	3.1
187.11198	100.0
189.09096	13.9
194.07373	4.8
201.12766	28.0
205.06529	12.4
205.12253	92.7
211.11214	9.9
219.13771	5.8
222.06848	11.5
229.12302	26.3
233.06036	5.2
237.09099	10.7
247.13321	67.2
250.06224	3.2
265.08630	39.7
265.14404	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	265.1434
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
53.03939	11.9
55.01865	7.8
55.05512	15.8
56.96569	3.0
57.07059	4.0
65.03938	5.9
67.05511	37.0
69.03424	8.5
69.07065	11.8
71.04984	10.5
71.31102	3.2
75.19281	2.4
79.05501	33.8
81.03402	4.4
81.07064	61.8
83.04974	8.7
83.08604	3.0
85.06532	3.0
91.05489	84.3
93.03371	3.9
93.07048	56.7
95.04972	16.2
95.08616	30.0
97.02864	4.9
97.06535	10.6
103.05463	9.6
105.07038	100.0
107.04935	6.1
107.08591	32.2
109.02863	7.0
109.06507	14.7
109.10161	14.3
111.04421	2.9
111.08083	4.5
115.05456	13.8
116.06231	8.0
117.07030	40.2
119.04915	2.6
119.08592	57.9
121.06505	11.5
121.10123	11.2
123.04390	4.5
123.08063	6.6
123.11662	6.1
125.05884	3.1
125.09638	2.7
128.06245	27.1
129.07010	25.0
130.07799	6.7
131.04926	5.1
131.08571	68.7
133.06494	3.6
133.10120	33.4
135.08049	12.8
135.11719	4.2
137.06000	5.7
137.09610	3.9
139.03998	2.9
141.06999	15.0
142.07809	14.7
143.08578	56.8
144.09323	7.6
145.06477	17.0
145.10132	35.2
147.08035	15.4
147.11705	17.9
149.05977	7.2
149.09628	8.5
153.06969	9.8
154.07744	5.8
155.08539	19.4
156.09015	2.8
157.10126	23.3
158.10890	3.7
159.08064	35.2
159.11693	30.1
161.06062	3.2
161.09686	12.8
163.07535	7.4
165.09158	2.7
167.08530	6.0
168.09341	23.3
169.10007	4.3
171.08061	10.3
171.11650	7.6
172.08745	3.7
173.06023	3.8
173.09592	8.8
173.13289	20.4
175.07512	3.4
175.11075	6.4
177.06960	3.4
177.09106	8.8
179.08595	2.7
181.10118	4.0
183.11725	35.9
185.09584	3.8
187.07529	8.7
187.11168	17.0
187.14781	4.1
189.09100	22.3
191.08563	3.0
191.14212	3.3
193.10152	4.6
198.13655	2.8
199.11130	3.4
201.12769	27.7
205.06697	5.6
205.08655	6.4
205.12250	7.6
209.13206	2.9
211.11217	5.7
216.30022	2.9
219.13847	5.8
222.06760	5.6
229.12193	19.8
230.12637	6.3
237.09106	5.3
247.13344	9.6
265.08542	14.7
265.14334	18.9
265.19305	5.4
265.21814	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	265.1436
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
50.40395	2.3
52.03365	2.6
52.48402	2.8
53.03936	5.9
55.01870	5.0
55.05521	17.4
56.98838	2.7
57.03420	2.8
57.07064	4.9
58.08980	2.2
59.04992	3.0
65.03944	2.9
67.05503	24.7
69.03439	17.6
69.07068	13.2
69.80268	15.8
71.04996	5.3
79.05489	20.9
81.03410	6.8
81.07058	35.9
83.04984	41.1
83.08606	7.1
85.06544	5.0
91.05478	30.5
93.07041	25.9
95.04955	17.5
95.08611	26.7
97.06534	8.9
98.20721	3.8
98.97586	2.9
99.04457	4.5
103.05487	3.8
105.07033	35.9
107.04954	4.5
107.08595	40.8
109.02855	10.9
109.06541	19.8
109.10169	11.6
111.04456	26.4
111.08070	6.5
113.06012	12.6
115.05472	7.9
117.07030	19.8
119.08586	40.9
121.02879	7.5
121.06502	28.1
121.10104	13.4
122.07162	2.9
123.04462	3.7
123.08067	16.6
123.11684	4.2
125.06004	6.8
125.09678	7.6
128.06262	5.2
129.06992	9.2
131.08545	26.5
133.06575	6.2
133.09262	3.2
133.10120	17.8
135.08063	58.4
135.11673	7.7
137.06012	4.0
137.09587	14.4
139.07532	4.6
141.07028	5.0
142.07791	4.6
143.08554	12.0
145.06508	16.6
145.10143	24.2
146.07240	3.1
147.08072	15.9
147.11700	8.7
149.05949	8.1
149.09636	15.6
151.07567	11.2
151.11183	4.4
153.09102	11.8
155.08559	8.8
157.10066	12.1
158.07188	3.4
158.10924	5.2
159.08064	14.9
159.11650	26.9
161.05991	4.2
161.09616	13.7
161.13254	3.3
163.07538	40.3
163.11156	9.8
165.06940	5.1
165.09128	9.4
166.07695	4.3
167.03471	3.2
167.07004	3.5
167.08499	3.1
168.09343	7.4
169.10274	3.4
170.99780	2.6
171.11711	4.8
172.08856	7.8
173.05969	10.3
173.09613	7.7
173.13252	18.0
175.07501	4.0
175.11281	4.3
177.05589	3.9
177.06885	13.2
177.09111	5.2
177.12735	6.1
178.07716	3.1
179.08559	12.4
179.10530	3.0
181.10152	5.4
183.11658	17.4
185.09622	4.6
185.13167	3.0
186.10400	4.2
187.07559	6.2
187.11166	23.7
187.14745	3.2
189.07042	3.5
189.09116	9.5
189.12668	4.1
190.07784	4.0
191.07042	13.7
191.08574	9.4
191.14323	3.7
193.06499	3.7
193.10162	5.8
194.07317	16.8
195.11708	3.7
201.12718	34.2
203.10686	4.2
205.06487	28.1
205.08461	6.2
205.12189	18.5
206.07050	3.5
207.06792	5.7
207.08308	4.4
209.07990	5.1
209.13191	4.3
211.11215	10.5
219.08052	6.9
219.13783	28.5
221.05992	4.5
221.09644	4.4
221.15451	2.7
222.06790	12.8
223.14851	6.2
229.12253	39.8
229.15863	4.2
233.05965	8.0
233.09584	5.3
234.06871	3.0
234.10431	16.6
235.07640	31.5
236.08315	4.9
237.08931	26.0
247.13293	100.0
247.17072	6.1
250.06108	3.8
250.10005	22.5
265.08438	72.0
265.12152	28.3
265.14441	27.5
265.17880	5.2
265.19690	4.6
266.04666	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03937	1.6
55.01858	5.9
55.05497	3.6
55.49102	1.5
57.03419	4.3
67.05510	7.0
67.46392	1.4
69.03413	4.7
69.07051	2.1
71.05000	74.4
71.45744	2.0
78.56007	1.4
79.05492	9.4
80.94613	1.3
81.03423	2.5
81.07071	10.2
83.04975	4.9
85.02889	1.9
91.05481	21.3
93.06481	1.6
93.07050	21.2
95.04975	4.5
95.08600	7.2
97.06520	2.9
99.04464	31.8
103.05453	2.1
105.07040	21.9
105.67600	1.3
107.04961	2.5
107.08590	5.5
109.02859	1.4
109.06520	4.6
109.10128	2.0
111.04461	1.3
111.39404	1.4
115.05434	4.3
115.08154	1.4
117.05468	1.2
117.07016	19.5
119.04961	2.3
119.08584	15.8
121.02940	2.3
121.06520	6.8
121.10149	10.2
123.08099	1.4
128.06227	3.9
129.07021	9.5
130.07758	2.0
131.08582	22.2
133.06494	3.4
133.10112	8.1
135.08076	6.8
137.05963	2.5
141.06947	5.4
142.07774	5.7
142.09312	1.3
143.08556	10.2
145.06491	7.3
145.10165	13.4
147.08038	9.5
147.11705	4.4
149.05997	1.5
149.09656	14.0
151.07585	2.8
153.06958	3.2
154.07758	2.3
155.08575	16.6
157.10147	13.4
159.08113	8.1
159.11703	9.9
161.09644	5.2
163.07600	2.1
165.07043	3.9
165.09138	6.3
166.07750	2.7
167.08598	1.6
168.09386	8.4
169.10130	4.7
171.08070	2.9
171.11642	2.0
172.08870	1.7
173.09647	5.1
173.13274	9.6
175.07462	1.9
175.11214	4.2
176.06210	3.7
177.05568	2.7
177.06987	22.9
181.10143	2.2
183.11717	28.3
185.09669	3.2
187.07602	2.7
187.11220	10.8
189.06979	3.3
189.09085	6.6
191.08582	3.6
191.10699	1.6
194.07288	23.0
201.09029	2.3
201.12747	28.8
203.10652	6.6
205.06502	42.4
205.08253	1.6
205.12247	7.2
206.07146	3.7
207.07901	1.9
211.11194	8.0
214.54437	1.6
219.13831	6.4
221.06085	1.5
222.06793	24.3
229.12257	35.0
233.06017	18.5
234.06787	2.3
237.09131	42.7
247.13303	33.8
250.06207	7.6
265.08612	100.0
265.14395	12.3
266.08817	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1438
Annotation	Laccijalaric acid
Peak:m/z	Relative Intensity
53.03942	0.4
55.01881	0.8
55.05508	0.5
59.03933	0.4
67.05504	1.2
69.03434	0.8
69.07063	0.7
70.02464	1.8
71.04984	1.1
77.36053	0.3
79.05506	1.0
81.03423	0.5
81.07059	2.0
83.04972	0.9
83.54287	0.3
91.05492	2.5
91.14024	0.3
93.07061	2.0
95.04984	0.8
95.08624	1.4
97.02920	0.4
97.06539	0.7
99.04471	1.1
105.07034	4.2
107.08604	1.4
109.06511	1.1
115.05463	1.0
117.07070	1.8
119.04938	0.4
119.08601	3.1
121.02873	0.8
121.06522	1.2
121.10156	1.0
122.65574	0.4
123.04462	0.5
123.08106	0.7
124.07661	0.5
128.06235	1.0
129.06995	1.1
131.08583	3.7
133.06505	0.9
133.10138	1.5
135.08072	1.0
137.05975	0.6
139.07468	0.4
141.06996	1.4
142.07813	1.2
143.08611	2.1
144.09341	0.5
145.06499	1.4
145.10124	2.7
147.08054	1.0
147.11710	0.6
149.09683	0.6
153.07004	1.1
154.07790	0.5
155.08554	1.7
157.06464	0.5
157.10152	2.2
158.10919	0.4
158.50031	0.3
159.08044	2.0
159.11719	1.8
161.09615	1.3
163.07547	0.8
163.11148	0.4
165.06956	2.5
166.07785	2.6
167.08617	0.6
168.09406	2.4
171.08060	1.0
171.11743	0.6
173.06004	1.0
173.09619	1.3
173.13287	2.1
175.11201	1.2
176.06219	3.4
176.22897	0.4
177.07014	19.0
177.12845	0.7
178.07744	0.6
179.08591	0.5
181.06531	0.8
181.10217	0.8
183.11717	8.7
185.13342	0.5
187.07568	0.4
187.11206	1.6
189.07028	2.0
189.09138	1.6
190.07787	0.7
191.07159	0.3
191.08632	2.7
191.14394	0.3
193.06528	1.3
193.10130	0.7
194.07280	21.8
195.07802	0.7
196.08839	0.5
201.12762	4.5
203.10684	0.7
204.05751	1.6
205.06508	39.0
205.12265	1.1
206.07207	2.3
207.08138	0.5
207.10121	0.4
209.09669	1.0
211.11208	1.9
217.12244	0.4
218.07083	0.5
219.04515	0.4
219.08075	1.6
219.13831	1.4
221.06000	2.0
221.11749	0.4
222.06784	25.5
222.30708	0.3
223.07387	0.7
229.12288	7.0
233.05989	20.0
234.06796	2.7
237.09126	44.2
238.09467	1.3
247.07523	0.7
247.13303	4.9
250.06334	5.3
251.06795	0.5
264.09930	0.4
265.08615	100.0
265.14340	4.4
266.09036	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	265.1437
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03916	1.8
53.72252	1.5
55.01862	4.2
55.05498	4.3
65.03919	1.8
66.19647	1.5
67.05507	9.2
69.03411	4.1
69.07051	4.7
70.70540	3.1
70.70883	2.9
71.04987	2.0
77.15591	1.5
79.05503	12.1
81.03423	3.3
81.07055	10.4
83.04958	6.6
91.05482	21.7
92.38290	1.3
93.07054	16.3
95.04935	6.2
95.08616	7.7
97.06537	1.9
103.05453	3.9
105.07045	32.1
107.04916	2.1
107.08604	15.9
109.02888	8.7
109.06525	7.7
109.10123	2.9
111.08021	1.8
113.05967	2.7
115.05420	4.6
117.07042	20.8
119.04916	2.0
119.08597	24.2
121.06521	7.6
121.07257	1.4
121.10096	5.0
123.04400	5.1
123.08043	3.4
124.07603	2.7
125.05972	1.6
128.06190	5.8
129.07010	8.4
130.07770	2.5
131.04959	2.4
131.08589	33.1
133.06453	4.6
133.10144	19.4
135.04422	1.7
135.08008	6.6
135.11624	1.8
137.05896	2.1
141.06970	9.2
142.07791	9.1
143.08562	17.2
144.09308	3.9
145.06519	9.5
145.10144	25.3
147.08092	7.8
147.11697	13.0
149.05940	4.3
149.09621	2.0
151.07523	3.2
152.10611	1.5
153.06932	4.7
154.07790	2.6
155.08569	13.0
156.09264	1.7
157.06442	2.2
157.08954	1.6
157.10149	18.9
159.08070	12.4
159.11722	21.8
161.05923	2.3
161.09550	5.3
163.07513	6.2
165.06979	5.8
165.09094	8.1
166.07755	5.3
167.08582	2.3
168.09375	12.5
169.10052	3.9
171.08025	3.0
171.11630	3.4
172.08841	1.7
173.05948	3.4
173.09578	6.8
173.13295	17.4
175.11253	8.4
176.06174	2.1
177.05611	1.8
177.06998	14.4
177.08328	1.8
177.09167	2.6
177.12634	2.2
178.07724	2.5
179.08604	2.3
181.06441	3.1
181.10088	5.7
183.11710	38.0
185.09583	3.2
185.13330	1.8
186.10313	2.2
187.07542	1.9
187.11191	17.5
189.06946	1.8
189.09041	4.0
190.07755	4.6
191.08507	12.7
191.10455	2.6
193.06598	2.6
193.10039	4.6
194.07289	21.5
195.07901	2.4
196.08728	2.2
199.11079	2.4
201.12762	36.2
203.10614	4.9
204.05649	1.7
205.04555	2.4
205.06509	34.1
205.08379	1.8
205.12276	17.9
207.08034	3.1
209.09598	5.8
211.11224	10.0
219.07762	7.4
219.13802	10.7
221.05898	3.9
221.11981	2.9
222.06772	32.2
229.10129	2.5
229.12245	36.2
233.06015	10.5
237.09142	32.2
247.07643	2.8
247.13228	24.8
247.16989	1.7
250.06329	9.7
265.08551	100.0
265.14249	26.1
266.09015	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	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03950	4.5
55.05514	11.6
65.03943	8.0
67.05508	33.3
67.09235	4.5
69.03439	36.0
69.07055	5.9
69.52715	21.1
71.04992	8.6
79.05508	25.5
81.07059	26.6
83.04956	10.1
90.82339	3.6
91.05480	48.3
93.03430	8.4
93.07046	41.9
95.04971	46.0
95.08623	21.4
97.06512	7.2
99.04465	7.5
105.07047	74.6
107.04985	6.2
107.08609	31.7
109.06526	32.3
109.10168	8.7
111.04451	33.0
111.08089	13.8
113.06013	22.4
115.05450	5.2
116.06220	4.1
117.03417	6.4
117.07034	17.5
119.08591	97.3
121.02880	13.3
121.06509	45.8
121.10139	13.6
123.08086	21.5
125.06034	5.9
128.06192	16.4
129.07022	21.0
130.07762	4.2
131.08566	52.0
133.06465	15.6
133.10158	21.2
135.08063	100.0
137.09653	12.4
139.03908	15.4
139.07529	6.9
141.06969	9.6
142.07780	19.5
143.08557	14.7
144.09349	11.9
145.02873	16.2
145.06490	13.3
145.10152	28.2
146.07224	6.8
147.08049	45.9
147.11679	20.8
149.05975	12.6
149.09625	15.8
150.07826	5.6
151.07561	7.5
153.06973	9.3
155.08493	8.2
156.09360	7.3
157.10123	21.0
158.07269	26.0
159.08075	46.0
159.11678	49.9
160.08804	5.1
161.09630	51.9
165.09122	42.1
168.09399	6.3
169.10165	6.7
171.08055	7.7
171.11662	9.6
172.08846	25.5
173.09624	21.8
173.13329	27.0
175.07567	79.8
175.11140	38.5
177.05508	43.5
181.06534	6.3
181.10054	9.4
183.11720	17.7
185.06024	4.1
185.09645	14.9
186.10318	4.4
187.11223	44.1
189.09109	11.7
189.12802	15.0
193.08640	30.4
193.10167	6.6
196.08873	11.1
199.11232	11.1
201.12747	38.8
203.10681	52.1
205.12196	8.0
211.11122	18.6
214.56740	5.1
217.12238	32.7
219.13838	15.5
229.12206	34.5
235.13322	6.9
241.71576	4.0
247.13274	55.1
265.14282	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	265.0861
Annotation	2'-Hydroxyfurano[2'',3'':4',3']chalcone
Peak:m/z	Relative Intensity
50.62515	0.2
62.81812	0.2
68.98430	0.2
70.59715	0.5
70.60107	0.5
110.08986	0.2
119.83041	0.2
124.69543	0.2
135.51273	0.2
152.06328	0.4
153.07002	0.3
165.06989	2.0
166.07806	2.5
168.05882	0.4
169.06541	0.3
176.06239	3.4
177.07010	20.8
178.07707	0.8
179.08531	0.3
189.07027	2.0
190.07773	0.9
191.08560	2.1
193.06557	1.5
194.07288	20.8
202.07771	0.3
204.05696	1.9
205.06506	35.8
206.07207	1.8
207.08095	0.5
209.09637	0.6
219.04585	0.3
219.08008	1.2
221.06046	1.2
222.06770	22.4
223.07047	0.4
229.07680	0.3
232.05299	0.3
233.05989	18.4
234.06720	1.8
237.09116	42.5
238.09552	0.6
247.07430	0.3
248.38345	0.3
250.06273	5.2
251.06950	0.4
264.07565	0.3
265.08609	100.0
266.08966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38627	0.4
60.08155	0.5
67.07706	0.4
69.81539	2.3
69.81930	0.9
69.88076	0.4
76.35163	0.4
85.02905	0.6
102.09210	0.8
103.09505	0.5
104.10725	1.4
119.01896	0.7
157.03465	0.4
163.02687	0.5
173.77396	0.4
183.95770	0.4
265.08966	100.0
266.15988	4.2
283.08801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0861
Annotation	R162
Peak:m/z	Relative Intensity
52.55884	0.2
55.01862	0.4
61.72905	0.2
67.05486	0.4
69.51241	0.6
69.51653	1.4
72.08147	0.3
79.05491	0.5
81.03423	0.4
91.05467	1.2
93.07036	0.6
95.04976	0.4
95.08640	0.5
101.59589	0.3
105.07027	1.0
107.08599	0.6
109.02884	0.7
117.07011	0.9
119.08585	1.3
121.10149	0.4
123.04447	0.4
131.08572	2.7
133.10158	1.7
141.07021	0.9
142.07790	0.3
143.08551	0.7
144.05646	0.3
145.06477	0.6
145.10120	0.6
147.11690	0.8
149.05991	0.3
152.06200	1.2
153.06989	1.2
155.08537	0.7
157.10101	1.0
159.08058	0.7
159.11691	1.2
163.05440	0.3
165.07002	8.4
166.07797	8.1
167.08582	2.0
168.05708	0.8
168.09251	0.5
169.10170	0.4
173.13255	0.9
175.11188	0.3
176.06245	1.7
177.05565	0.5
177.06999	5.6
178.07785	2.4
179.08572	3.2
180.05682	0.7
181.06483	2.6
181.10139	3.6
183.11722	1.6
186.11514	0.6
187.11230	1.0
187.82866	0.3
189.07004	4.9
190.07776	9.4
191.08565	30.1
192.09097	0.3
193.06499	2.7
194.07288	19.2
195.08070	4.0
201.06967	0.7
201.12701	1.2
202.07841	1.1
203.08662	0.3
204.05646	0.5
205.06502	10.1
205.12227	1.4
206.07205	1.2
207.04384	0.4
207.08073	4.8
208.08844	3.3
209.09616	11.2
211.11234	0.4
214.10931	0.4
217.06610	0.4
218.07310	2.4
219.08061	16.8
220.08678	0.9
221.05981	4.3
222.06772	37.3
223.07530	5.4
229.07626	0.7
229.11710	0.2
229.13293	2.2
233.05966	3.2
234.06834	1.3
235.07436	1.5
236.08238	1.3
237.09117	31.0
238.09497	0.5
247.07594	5.1
247.14178	0.3
248.08405	0.8
250.06271	8.6
251.07047	0.5
265.08612	100.0
266.09003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34739	0.2
64.28942	0.2
70.62280	0.6
75.56403	0.3
78.54367	0.3
79.05517	0.2
84.87257	0.3
105.07016	0.3
111.04454	0.4
115.96830	0.3
119.08610	0.4
121.06562	0.4
131.08549	0.3
135.07886	0.3
152.06206	0.3
153.07024	0.3
165.07005	4.6
166.07787	3.8
167.08601	0.4
173.00424	0.3
176.06233	3.3
177.07008	32.4
178.07712	0.8
179.04997	0.3
179.08519	1.0
181.06429	0.4
181.10181	0.7
186.11537	0.3
189.07028	1.0
190.07753	1.1
191.08566	4.5
193.06487	2.1
193.08398	0.4
194.07289	36.0
195.07973	1.2
199.42445	0.3
204.05649	0.6
205.06497	31.8
206.07237	2.8
207.08047	1.0
208.08774	0.7
209.09610	2.3
218.07228	0.5
219.08122	2.1
220.08820	0.5
221.05994	2.2
222.06769	34.4
223.07372	1.2
229.13394	0.4
233.05997	2.8
234.06737	1.1
235.07562	0.4
237.09116	70.3
237.98853	0.3
238.09485	0.9
247.07529	1.0
247.14192	0.4
250.06271	6.8
251.07030	0.5
265.08609	100.0
266.08850	1.4
283.82001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2324
Annotation	Victoxinine
Peak:m/z	Relative Intensity
53.61958	0.2
55.05507	0.4
57.07071	0.4
58.06601	16.0
60.04546	0.5
60.55702	0.3
66.72578	0.2
67.05504	2.6
68.05836	0.7
69.07069	1.0
71.08598	0.3
71.58263	0.2
79.05480	1.0
80.05801	0.3
81.07054	4.3
82.07404	1.1
83.08606	0.9
85.06535	0.3
91.05476	1.3
92.05792	0.2
93.07043	1.8
94.07413	0.3
95.08607	3.4
96.08124	0.5
96.08929	0.9
97.06528	0.3
105.07032	3.0
106.07350	0.2
107.08605	2.5
108.08119	0.9
108.08824	0.2
109.10168	2.5
110.10474	0.5
111.08070	0.4
119.08555	1.2
121.10148	1.2
122.10478	0.2
123.08045	0.5
123.11758	1.1
131.08528	0.5
132.09053	0.2
133.10132	4.6
135.11684	0.6
137.09630	0.4
145.10147	1.0
147.11693	1.9
149.13280	1.6
151.11166	0.7
159.11719	0.3
161.13248	0.4
163.14824	2.6
165.16420	0.2
173.13165	0.2
173.22513	0.2
180.17461	0.4
189.16380	4.4
205.19594	0.3
207.17397	1.5
229.19527	0.3
246.12166	0.3
246.22191	5.2
264.23227	100.0
265.23605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20957	1.4
53.82361	1.4
55.05501	2.2
57.78381	1.4
67.05501	3.5
69.03458	1.6
71.00952	3.7
79.05495	4.8
81.03419	2.7
81.07049	3.3
91.05474	11.1
93.07045	5.6
93.96483	1.3
95.04970	3.4
97.87357	1.4
105.07027	13.9
107.04938	1.9
107.08594	5.0
109.02887	7.3
109.06554	2.2
115.05474	2.5
117.07015	4.7
119.08584	75.1
123.04427	2.5
128.06235	5.7
129.07036	8.7
131.08566	17.8
133.06567	2.7
133.10139	7.5
141.07022	8.9
142.07774	15.4
143.08569	18.0
144.09358	1.8
145.06491	4.9
145.10133	6.7
147.08107	1.7
153.06985	10.6
154.07837	1.9
155.08559	32.1
156.09274	4.2
157.10135	58.9
159.08101	4.1
159.11763	3.7
165.06976	2.8
166.07779	2.3
167.08566	10.3
168.09341	40.6
169.10094	3.6
171.08110	3.8
171.11679	3.5
173.06085	1.6
173.09634	2.9
173.13293	7.7
178.07834	3.0
181.06502	2.9
181.10164	12.0
183.11702	80.1
185.09619	3.3
185.13240	3.6
187.07448	2.0
187.11186	3.1
193.10136	19.1
196.08878	6.1
199.11192	6.0
201.09148	3.3
201.12778	17.2
211.11182	53.2
229.12233	100.0
246.14833	3.6
247.13217	2.3
264.16190	2.2
269.76355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06134	4.5
55.05499	8.8
58.31718	3.8
59.97409	4.2
60.37527	4.1
67.05524	10.0
69.47877	3.4
70.12070	6.9
70.12479	15.0
73.38717	4.0
79.05501	18.0
81.07058	18.4
81.87680	4.1
83.04946	5.3
86.76328	4.0
91.05490	26.9
92.05816	4.6
93.07047	17.5
95.04977	6.5
95.08603	6.6
105.07050	34.4
106.07341	6.2
107.04962	9.0
107.08623	10.9
109.06518	7.6
115.05451	6.6
117.07026	27.4
119.04971	6.1
119.08572	19.1
121.06497	12.2
128.06235	19.0
129.07021	32.5
131.08566	40.0
133.06483	7.9
133.10147	5.5
141.07011	32.3
142.07739	14.7
143.08574	36.2
145.06488	12.5
145.10135	25.7
149.05916	6.4
153.06982	16.1
155.08563	52.3
157.10149	32.7
159.08090	12.3
159.11748	13.8
165.07076	6.0
167.08598	7.2
168.09344	34.0
169.10223	5.1
171.11693	11.6
172.11916	4.6
173.06013	5.4
173.09586	8.4
173.13240	22.2
178.07715	5.4
180.07341	5.8
181.10152	6.2
183.08076	9.7
183.11716	100.0
185.09575	7.1
187.07590	7.8
187.11264	6.9
193.10153	13.5
200.11525	7.4
201.09224	5.2
201.12735	80.5
206.07021	6.2
211.11153	23.5
216.44991	4.6
219.17473	6.2
228.11005	5.8
229.12263	77.7
236.13672	6.7
246.12032	5.9
247.13310	39.6
264.07397	5.2
264.22885	4.6
265.08609	5.4
265.14502	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	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01862	1.0
56.05050	0.7
56.77887	0.7
67.05512	6.2
71.56321	0.9
79.05505	12.6
81.03407	5.8
81.07069	9.5
83.04981	1.1
83.90229	0.7
91.05491	14.8
92.76382	0.8
93.07057	11.9
95.04960	3.0
95.08620	1.1
103.05462	2.6
105.06382	1.0
105.07044	10.7
107.04967	8.6
107.08589	3.3
109.02889	13.2
115.05466	2.5
117.07030	11.4
119.08584	9.2
121.06525	3.3
128.06227	2.9
129.07031	10.8
130.07761	1.2
131.04921	1.1
131.08595	10.0
133.06471	2.9
135.04424	10.3
135.08060	3.1
137.06035	0.8
141.07011	8.8
142.07797	4.0
143.08563	7.0
145.06512	4.1
145.10138	8.1
147.08061	2.2
149.06010	6.2
152.11351	0.7
153.07016	2.5
154.07805	1.4
155.08569	13.6
157.06569	1.0
157.10150	12.5
157.11337	1.5
158.07225	1.4
159.04472	1.8
159.08058	2.9
159.11736	4.9
161.05966	4.5
163.07568	4.8
165.07060	1.6
167.08580	2.1
168.09383	5.6
169.06487	1.1
169.10162	1.1
171.08095	1.6
173.06007	1.5
173.09656	7.9
173.13281	6.7
175.07582	1.3
175.11217	0.8
178.07819	1.4
183.08102	2.4
183.11716	16.9
185.09631	1.1
185.13268	1.6
187.07582	2.5
187.11119	2.1
193.10138	2.9
199.11200	1.3
201.09131	36.1
201.12766	17.5
202.09494	0.8
211.11188	6.1
229.12263	100.0
230.12596	1.4
247.13428	0.9
264.07169	1.3
264.16031	1.9
264.24319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63913	2.7
55.05503	4.5
61.30705	2.3
67.05496	8.2
71.30067	4.3
79.05468	10.8
81.07072	12.9
83.08611	3.7
91.05495	19.4
93.07066	11.7
94.07372	2.3
95.04945	3.0
95.08598	7.4
105.07038	21.9
107.08585	7.5
115.05415	3.4
117.07006	15.9
119.08582	10.6
121.06484	6.3
124.30730	2.4
125.40611	2.8
128.06218	6.9
129.07034	24.0
131.08572	34.8
133.10069	2.3
135.04440	2.4
135.08055	6.0
141.07004	18.3
142.07748	9.0
143.08571	25.7
144.09009	2.3
145.06477	5.7
145.10104	25.3
147.08020	3.9
147.11707	6.4
153.06976	8.6
155.08556	37.5
157.10100	21.3
159.08127	13.1
159.11688	7.7
161.09610	2.4
163.07504	2.6
166.07739	3.0
167.08463	3.4
168.09334	33.6
169.10004	5.1
170.10675	2.5
171.11700	11.2
173.05959	5.0
173.09624	7.8
173.13271	30.2
178.07683	3.6
181.10092	5.7
183.08087	3.4
183.11700	87.2
185.13327	3.6
186.10388	2.6
187.14827	2.7
193.10123	7.9
199.11128	6.1
201.12750	100.0
211.11226	27.0
218.12520	3.0
219.13818	3.6
228.11032	3.9
229.12247	94.3
246.12228	2.6
247.13304	73.6
247.32436	2.7
264.08350	8.7
264.12177	3.4
264.15903	8.7
264.19751	6.4
265.14337	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	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20732	0.6
50.80080	0.6
53.03947	2.0
55.01876	1.3
55.05258	1.3
55.05510	14.3
55.72681	0.6
56.00990	0.7
57.03445	1.5
57.07079	12.3
65.03927	3.1
67.05508	81.3
69.07075	16.8
71.05000	1.8
71.08639	6.6
71.46913	0.8
77.00948	0.6
79.05499	23.5
81.07060	100.0
83.04977	1.4
83.08624	12.4
85.06532	3.7
85.10189	2.6
91.05487	17.2
93.07049	25.3
93.71252	0.6
95.04974	2.4
95.08611	83.9
97.06521	7.2
97.10167	5.6
99.08102	5.9
105.07034	13.0
107.08595	13.0
109.06519	1.7
109.10162	41.6
111.08070	4.1
111.11739	1.8
113.09660	3.0
117.07022	1.5
119.08594	14.7
121.10154	15.4
123.08076	2.7
123.11720	17.5
125.09623	1.2
127.11184	1.8
129.07062	0.9
131.08592	3.2
133.10135	15.5
135.11722	9.3
137.09633	1.9
137.13263	7.5
141.07062	0.7
141.12756	1.6
143.08604	1.6
145.10106	1.0
147.11691	11.2
149.13280	8.2
151.11234	1.6
151.14807	7.5
153.12669	0.7
155.08609	1.3
155.14285	1.2
157.10110	1.4
161.13269	8.6
161.33858	0.8
163.14841	6.8
165.12773	0.7
165.16389	8.3
175.14847	7.8
177.16443	2.3
179.14207	0.8
179.17975	3.5
181.15919	1.5
183.11674	2.1
189.16412	3.5
192.09459	0.6
199.11150	1.3
203.17975	1.2
207.17557	1.0
217.19598	1.0
219.21054	0.9
227.10663	1.2
229.12268	1.1
245.11722	1.4
245.22659	28.6
263.07144	1.8
263.12817	2.5
263.23724	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03951	1.4
55.01866	1.6
55.05268	1.1
55.05514	16.8
57.03435	1.8
57.07082	9.9
58.50021	0.8
65.03929	3.1
66.37524	0.9
67.05510	88.1
69.03391	0.8
69.07072	20.1
71.04994	2.0
71.08636	4.8
71.56186	1.0
77.03941	0.9
79.05501	24.3
81.07064	100.0
83.04971	2.9
83.08629	14.1
85.06553	3.9
85.10175	2.7
91.05487	18.5
93.06474	1.6
93.07054	30.2
93.07632	1.9
95.04958	3.8
95.08614	88.1
97.06534	8.2
97.10178	6.8
99.08118	3.9
105.07032	14.7
105.07697	1.5
107.08597	13.4
109.06507	1.7
109.10168	41.9
111.08122	3.8
113.09647	2.6
117.06988	1.4
119.08596	15.2
121.10151	17.2
123.08072	2.8
123.11716	20.6
125.09611	2.3
127.11191	1.3
128.06195	0.9
129.07028	2.0
131.08585	3.5
133.06432	1.0
133.10144	13.9
135.08054	1.6
135.11691	8.6
137.09657	1.5
137.13264	8.6
141.06972	1.6
141.12767	1.1
142.07745	1.8
143.08565	3.1
145.10138	2.5
146.91057	0.8
147.10635	1.2
147.11711	12.4
149.13283	6.8
151.11201	1.3
151.14830	6.1
155.08531	1.4
155.14291	1.3
156.09373	2.3
157.10175	2.8
159.08073	1.4
159.11700	1.1
161.09628	0.9
161.13252	11.4
163.14841	5.3
165.12782	0.9
165.16400	7.6
168.09348	1.0
171.11633	2.4
173.13301	1.7
175.14796	6.9
177.16382	1.4
179.17950	2.9
183.11768	1.4
189.16406	2.8
199.11214	3.4
201.12831	1.3
203.17917	1.6
207.11697	1.4
217.12294	2.3
217.19447	1.1
221.13251	1.0
227.10718	1.6
233.09830	0.9
245.11777	3.8
245.18871	1.1
245.22675	25.9
263.07101	1.5
263.12808	2.8
263.18146	4.8
263.23724	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.15070	0.8
52.74155	0.7
53.03945	2.3
55.05266	1.1
55.05514	15.2
57.03431	2.3
57.07079	12.1
63.99680	0.8
65.03929	3.4
67.05508	88.6
69.06724	1.5
69.07071	18.5
70.71238	1.8
71.04991	1.8
71.08353	0.8
71.08643	7.5
75.52393	0.8
79.05502	23.0
80.00073	0.8
81.07063	100.0
83.04980	1.6
83.08626	14.3
85.06536	4.4
85.10194	2.5
91.05484	20.2
93.07053	23.3
95.04967	2.5
95.08614	90.1
97.06532	7.7
97.10158	6.7
99.08100	6.5
99.26217	0.9
105.07035	11.3
107.08603	16.8
109.06516	2.0
109.10167	51.0
111.08098	4.2
111.11734	1.4
113.09660	3.4
117.07052	2.0
119.08589	15.8
121.06453	1.1
121.10161	17.8
123.04482	1.4
123.08065	2.8
123.11722	18.4
125.09621	1.0
127.11189	1.5
129.07021	2.6
131.08559	2.3
133.10150	16.3
135.08086	2.5
135.11703	8.7
137.09633	2.2
137.13239	7.6
139.11089	0.9
141.07059	1.0
141.12755	1.6
143.08592	2.5
145.10141	3.5
147.08028	1.1
147.11711	12.5
149.13286	8.3
151.11165	2.5
151.14835	8.1
155.08560	1.2
156.09323	3.0
157.10143	2.0
161.13255	10.0
163.14833	8.1
165.07062	1.4
165.12798	1.2
165.16423	9.8
167.14368	1.2
168.09303	0.9
169.10170	0.8
171.11708	3.8
173.09676	1.7
175.11134	1.1
175.14853	7.6
177.16422	2.3
179.17934	5.0
181.10153	2.6
181.15883	1.3
183.11714	1.7
184.08855	1.1
189.16389	4.1
193.10121	0.9
199.11264	4.3
203.17963	2.2
204.18369	1.0
217.12198	2.6
217.19479	1.9
220.90662	1.0
227.10703	3.8
235.07681	1.2
245.11688	3.1
245.22664	31.5
263.06934	1.1
263.12878	2.9
263.17966	3.5
263.23740	69.9
276.26144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03946	2.6
55.05269	1.2
55.05518	18.3
57.03433	2.5
57.07079	11.4
63.02344	1.1
63.17844	1.2
65.03936	1.5
67.05509	94.4
69.07072	17.7
69.89491	6.6
69.89784	1.8
71.08646	6.9
72.24021	1.1
72.59250	1.1
79.05502	26.1
81.07063	100.0
82.07447	1.1
83.04965	3.1
83.08613	12.7
85.06551	4.6
85.10175	4.2
91.04965	1.9
91.05484	17.5
93.07056	26.6
95.04987	3.2
95.08612	95.6
97.06545	9.5
97.10169	8.3
98.21390	2.0
99.08096	5.5
105.07039	13.3
107.08597	16.4
109.06548	1.6
109.10163	44.6
111.08067	6.1
111.11705	1.4
113.09647	4.5
119.08599	16.6
121.10145	17.4
123.08076	2.5
123.11714	19.2
127.11206	1.2
129.06950	1.2
131.08569	2.4
133.10143	18.4
135.11687	13.1
137.09621	2.3
137.13248	6.8
141.06937	1.7
143.08586	1.9
145.10143	1.3
147.11682	10.1
149.13281	7.9
151.14862	9.2
155.08650	1.5
157.10112	2.9
161.13289	14.4
163.14864	8.1
165.16422	11.1
167.14378	1.3
175.14822	7.6
177.16385	1.7
179.17972	3.8
181.15784	1.2
183.11705	3.3
189.16409	4.9
203.17998	1.5
217.12138	1.4
227.10696	1.4
229.12256	1.6
245.11711	1.8
245.22672	35.2
263.12833	3.4
263.23947	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.80819	1.0
51.73332	1.0
53.03942	2.1
55.05511	14.6
57.03434	2.0
57.07076	12.4
65.03924	2.1
67.05506	85.8
69.07072	18.4
71.05003	2.2
71.08624	6.3
71.18375	2.3
79.05493	21.2
81.07059	100.0
83.04988	1.8
83.08633	14.2
85.06538	4.1
85.10175	2.6
91.05479	20.1
93.07050	28.7
95.04961	3.0
95.08609	93.1
97.06541	6.9
97.10177	5.8
99.08104	6.3
101.90374	0.9
105.07039	12.5
107.08591	16.0
109.06548	2.3
109.10152	42.4
111.08073	4.7
111.11707	1.3
113.09641	2.9
115.05446	1.1
117.06986	2.3
119.08593	15.7
121.06532	1.1
121.10148	16.3
123.08089	2.9
123.11710	18.7
127.11132	1.8
128.06221	1.1
129.07045	1.7
129.21199	1.0
131.08563	3.3
133.10143	17.7
135.08052	2.9
135.11711	12.0
137.09605	2.7
137.13260	8.7
141.12727	2.5
142.07822	1.1
143.08545	2.8
145.10124	3.2
147.11710	11.5
149.13286	8.0
151.11142	1.4
151.14812	8.3
155.14354	2.2
157.10162	2.8
159.11699	1.4
161.13240	10.4
163.14822	9.0
165.16406	8.7
171.07930	1.0
171.11688	1.7
173.09648	1.9
175.14854	6.8
177.16383	2.5
179.17981	3.4
183.11700	2.3
189.16478	3.1
199.11159	4.5
203.18066	1.3
207.11754	1.6
217.12320	3.0
219.21040	1.2
227.10693	2.4
229.12148	1.4
245.11769	3.6
245.22662	30.6
263.12473	2.0
263.14825	1.7
263.17883	2.2
263.23758	72.1
264.23239	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	263.1645
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
53.03944	6.1
55.01876	3.0
55.05518	18.3
57.03439	4.3
57.07088	4.4
58.41753	2.2
58.92197	2.0
59.05024	2.2
65.03938	3.6
66.33517	2.0
67.05515	28.4
67.59261	2.2
69.03435	8.8
69.07074	26.3
70.28536	9.1
71.01355	3.7
71.04984	7.0
71.08617	2.2
79.05501	34.6
81.03418	7.2
81.07066	39.9
81.53666	2.3
83.05001	10.3
83.08614	7.8
85.02901	2.8
85.06533	3.5
91.05486	38.2
93.07054	41.9
95.04967	17.6
95.08617	52.9
97.06525	9.2
99.04463	3.9
103.05489	5.3
105.07039	54.3
107.04947	6.8
107.08604	48.3
109.02888	12.4
109.06525	8.9
109.10155	30.6
111.08029	2.6
113.05992	3.9
115.05473	6.3
115.07573	3.9
117.07026	19.3
119.04967	4.0
119.08594	71.9
121.06529	14.3
121.10161	33.7
123.04441	8.8
123.08039	10.7
123.11723	6.5
128.06232	11.9
129.07011	26.9
130.07816	3.4
131.04878	2.6
131.08589	30.7
133.06532	13.7
133.10118	23.8
135.08083	18.4
135.10797	2.0
135.11705	12.9
137.06004	6.1
137.09654	2.7
137.13322	3.2
139.07532	4.0
141.07007	11.2
142.07826	17.6
143.08577	33.9
145.06512	7.3
145.10136	30.6
147.08047	18.2
147.11710	26.6
149.05992	19.5
149.09637	7.8
149.13258	9.7
151.07567	7.8
153.07040	4.0
155.08551	10.3
156.09352	15.0
157.06451	3.1
157.10146	37.6
158.07317	2.3
159.08061	8.4
159.10358	4.1
159.11716	25.9
160.08932	2.9
161.06055	12.2
161.09648	11.0
161.13258	7.9
163.07581	15.0
163.11163	3.9
163.14819	3.6
165.07062	6.1
165.09074	3.2
166.07770	6.4
167.08557	4.5
167.10768	2.7
168.09404	2.3
169.06410	2.4
169.10138	7.2
170.10927	6.7
171.08081	7.0
171.11702	22.0
173.09657	9.5
173.13319	4.6
175.07559	25.4
175.11209	9.9
175.14854	6.9
177.07010	5.4
177.09094	3.7
177.12776	2.4
179.08560	5.1
180.09389	6.3
181.10109	13.4
183.11707	7.2
184.08826	3.5
185.09706	4.5
185.13266	39.1
187.07521	4.1
187.11237	5.2
187.14870	7.7
189.09108	9.9
189.12764	8.5
191.10693	3.5
192.09479	3.1
193.10164	5.8
193.12212	2.6
195.11726	8.6
197.09631	3.9
199.11188	24.2
201.09192	3.2
201.12778	4.2
203.06898	2.6
203.08795	3.4
203.10757	8.7
203.14304	16.0
203.17957	7.9
205.06549	8.1
205.08408	4.1
205.15939	5.5
206.10931	5.2
207.11734	5.7
207.13759	4.1
209.09521	3.4
213.12695	12.8
215.10640	2.8
217.12248	17.8
221.13306	8.4
227.10663	20.5
227.17981	3.4
231.13817	100.0
233.06067	2.8
233.13268	3.3
235.07605	8.9
235.11418	3.9
245.11726	27.3
245.15427	6.1
245.19012	9.3
248.12016	3.4
263.06879	11.3
263.12384	18.5
263.17819	10.4
263.20236	26.5
263.25806	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	263.128
Annotation	3beta-Hydroxyanhydroverlotorin
Peak:m/z	Relative Intensity
51.75177	0.5
53.03936	1.7
55.01864	1.6
55.05508	1.7
57.03432	0.7
65.03946	0.7
67.05504	2.8
69.03437	4.7
69.07049	1.9
69.98997	0.6
71.04972	0.6
71.56586	0.6
71.57398	0.6
73.20156	0.6
76.62437	0.6
77.03960	0.7
79.05500	5.7
81.07052	4.9
83.04968	1.9
85.02911	4.9
85.06524	1.5
91.05475	6.7
93.07037	5.0
93.81329	0.6
95.04973	4.6
95.08607	3.5
97.02909	3.2
97.06538	0.7
99.04460	0.7
103.05455	1.9
105.06385	1.1
105.07034	12.2
107.04935	0.8
107.08607	4.5
109.02869	2.5
109.06501	2.9
109.10143	1.9
111.08051	0.8
111.12019	0.6
113.06020	0.6
115.05457	2.1
117.07023	2.9
119.04962	1.7
119.08582	6.4
120.07233	0.6
121.06506	3.3
121.10137	2.5
123.04459	0.7
123.08053	1.5
123.11719	0.7
124.14954	0.7
125.06046	0.6
125.09651	1.0
128.06242	10.1
129.07018	8.6
130.07799	1.6
131.08565	8.0
133.06483	1.7
133.10124	1.9
135.08066	5.4
135.11716	0.9
137.05948	1.0
137.09596	0.7
141.06966	5.2
142.07797	5.3
143.08563	42.5
145.06470	2.5
145.10117	4.7
147.04440	0.9
147.08037	2.1
147.11678	2.6
149.05943	1.1
149.09628	1.6
151.07590	0.9
153.06967	2.1
154.07765	1.1
155.06007	1.4
155.08562	5.7
156.09355	20.8
157.06511	1.3
157.10138	5.8
159.08060	2.9
159.11707	2.1
161.05984	1.2
161.09621	1.9
161.13245	2.1
163.11154	1.2
165.07030	5.9
166.07793	8.0
169.06453	1.3
169.10136	1.7
171.08028	2.1
171.11693	45.8
173.09624	1.6
173.13408	0.7
175.07613	1.5
175.11185	2.0
175.14914	0.9
176.06190	5.2
177.06998	29.3
178.07695	2.5
179.08548	4.2
181.06496	2.3
181.10135	11.8
183.11707	1.5
184.08830	2.9
185.09654	1.9
185.13206	1.0
187.07574	1.3
187.11143	0.8
189.06998	3.6
189.09064	1.1
189.12697	2.0
199.11194	17.0
199.13033	0.9
202.07849	0.7
203.07092	1.0
203.10631	1.5
203.14354	1.8
205.06497	56.8
206.06848	1.3
207.08032	1.1
209.09618	2.2
217.12326	4.3
227.10664	7.8
227.14268	0.7
233.05992	20.1
233.08136	0.7
234.06396	1.0
235.07545	64.5
236.07899	1.0
245.11734	16.0
245.15466	1.6
249.05508	1.3
251.07019	1.0
263.07028	100.0
263.12830	7.2
263.16446	9.0
263.20151	1.2
263.23828	0.6
264.07361	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.128
Annotation	Pentalenolactone E
Peak:m/z	Relative Intensity
53.03940	0.6
55.01864	1.2
55.05498	2.6
57.03426	0.8
65.03950	0.9
67.05503	4.0
69.03419	1.5
69.07059	2.2
70.63475	1.4
70.63819	0.6
71.01346	1.2
71.04972	1.3
79.05502	3.3
80.81474	0.6
81.03397	1.1
81.07064	3.2
83.04990	2.9
85.02942	0.8
91.05482	7.4
93.07049	4.6
95.04971	2.5
95.08594	2.6
97.06516	0.6
101.06010	1.0
103.05466	1.4
105.07036	9.4
107.04959	1.6
107.08582	4.7
109.02898	1.1
109.06509	2.4
109.10123	1.2
111.04466	1.0
111.08066	0.8
115.05466	2.9
116.06247	0.8
117.07037	5.1
119.08587	22.0
121.06494	2.2
121.10159	1.3
123.08109	1.4
128.06219	3.7
129.07008	5.3
130.07817	1.5
131.08565	5.5
133.06529	2.0
133.10106	4.1
134.10971	0.6
135.08055	3.6
135.11722	0.6
137.05994	0.8
139.03894	1.2
141.06990	2.6
142.07840	3.0
143.08571	8.2
144.05705	0.7
144.09282	0.7
145.06482	2.6
145.10136	16.7
147.08049	2.9
147.11699	3.8
149.06001	1.6
149.09618	1.1
151.05453	0.7
151.07542	1.4
153.07010	1.7
154.07632	0.6
155.08539	3.2
156.09343	9.8
157.06526	1.5
157.10138	4.5
158.07327	1.2
159.08081	3.4
159.11662	1.7
160.08833	1.6
161.05971	2.3
161.09634	3.3
161.13260	0.8
163.07509	1.6
163.11211	2.2
165.07027	2.2
166.07773	2.3
169.06490	1.4
169.10133	1.1
171.08028	2.6
171.11694	14.1
173.09647	12.6
173.13258	0.8
175.07547	2.7
175.11162	4.2
176.06215	5.4
177.07002	34.0
178.07722	2.1
179.08571	4.5
181.06509	1.9
181.10123	5.5
183.08070	2.5
184.08836	4.3
185.09601	0.9
187.07602	0.8
187.11305	0.7
189.07080	3.8
189.09116	2.9
189.12749	5.0
191.10625	1.3
193.12305	0.8
199.07567	1.2
199.11192	18.5
201.09212	1.0
203.10669	3.0
205.06502	63.0
206.06963	1.0
209.09616	2.5
212.08295	1.1
215.10626	1.0
217.08780	0.9
217.12254	18.8
219.10120	1.7
227.10689	10.9
233.05994	19.8
233.08318	1.2
235.07549	70.9
235.13165	5.0
236.07936	1.6
245.11742	11.6
245.15462	0.7
263.07037	100.0
263.12781	24.9
263.16278	1.8
263.23813	0.7
264.07370	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	263.128
Annotation	Integrifolin
Peak:m/z	Relative Intensity
53.03945	5.5
55.01878	2.7
55.05515	2.2
56.41440	1.6
56.57985	1.7
67.05509	5.0
69.03435	40.0
69.07063	2.0
70.70832	3.2
70.71201	3.2
72.25301	1.5
79.05492	8.5
81.03424	5.7
81.07056	6.9
83.04972	2.3
89.86277	1.8
91.05482	33.1
93.07063	8.4
95.04968	6.1
95.08595	3.0
103.05489	3.9
105.07046	16.2
107.04969	5.0
107.08613	11.0
109.02910	8.0
109.06516	7.4
115.05502	3.7
117.07027	7.6
119.04940	9.0
119.08566	10.9
121.06511	8.6
123.04450	3.6
123.08087	5.7
128.06236	7.5
129.07016	8.9
130.07813	1.5
131.08585	9.4
133.06477	9.4
133.10051	2.0
135.08066	24.2
137.05991	8.6
141.06981	4.3
142.07784	6.2
143.08595	17.4
145.06511	9.6
145.10104	15.4
147.08063	6.0
149.09566	2.2
153.07030	2.0
155.08623	4.1
156.09373	11.2
157.06548	4.5
157.10135	6.9
158.07275	4.1
159.08047	7.9
160.08856	3.8
161.06013	20.1
161.09622	2.1
161.13261	2.9
165.07054	4.6
166.07805	4.9
169.06470	2.4
171.08063	7.4
171.11716	17.1
173.05997	22.5
173.09639	19.1
174.10490	2.5
175.07602	4.1
175.11156	3.6
177.07109	2.8
179.08618	2.5
181.10161	10.5
183.08087	4.1
184.08849	10.9
185.06073	2.3
185.09607	4.4
187.07585	2.3
189.09071	3.1
189.12733	3.8
199.11205	42.6
201.09129	2.1
201.12750	1.8
203.10739	7.2
205.06564	2.1
209.09624	5.7
217.12263	17.3
227.10687	28.9
235.07477	4.1
245.11765	100.0
263.07178	7.3
263.24142	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
53.03944	2.4
55.01875	2.4
55.05511	2.4
67.01870	1.7
67.05508	4.7
69.03079	2.2
69.03433	39.3
69.07059	2.1
71.08339	2.3
79.05482	7.6
81.03416	6.1
81.07062	7.1
83.97434	1.3
91.05486	37.1
93.07058	6.6
93.51890	1.4
95.04977	5.1
95.08591	3.5
103.05481	2.8
105.07047	15.6
107.04967	3.3
107.08595	8.8
109.02882	8.8
109.06531	7.6
115.05462	2.9
116.06288	1.7
117.07036	8.0
118.55840	1.4
119.04922	10.3
119.08577	8.8
121.06525	9.3
121.10160	1.4
123.04405	3.9
123.08066	4.0
128.06221	5.6
129.07004	10.7
130.07831	1.7
131.04919	1.4
131.08569	9.0
133.06465	8.2
133.10132	3.2
135.08067	23.9
137.05975	6.4
141.07021	5.9
142.07797	5.1
143.08556	14.4
145.06485	9.3
145.10130	18.3
147.04401	1.6
147.08055	5.6
149.06001	2.2
149.09622	2.7
154.07767	2.4
155.08571	4.8
156.09372	12.5
157.06496	4.1
157.10158	7.9
158.07280	4.0
159.08055	8.8
159.11729	2.0
160.08871	3.2
161.06013	18.9
161.09668	3.5
165.07001	4.6
166.07773	6.1
167.08572	1.9
169.06491	3.1
171.08078	8.6
171.11687	15.9
173.06012	19.6
173.09621	17.8
175.07579	5.0
175.11192	3.3
177.06998	1.8
177.95248	1.4
181.10202	9.0
183.08134	3.7
184.08832	9.0
185.09569	3.2
187.07533	1.9
189.09064	2.2
189.12764	5.4
199.11188	42.4
201.09187	2.3
201.12794	1.8
203.10619	6.9
205.06522	2.6
209.09734	6.3
212.08353	3.3
217.12234	16.2
227.10684	26.7
231.60788	1.5
235.07574	2.9
245.11739	100.0
263.07022	3.9
263.12888	5.0
263.24118	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	263.128
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
52.69430	1.9
53.03940	2.0
55.01865	3.8
55.05500	4.7
59.04988	2.0
65.03927	2.1
67.05497	5.6
69.03437	2.4
71.15675	4.7
77.37399	2.1
79.05487	7.6
80.59163	1.7
81.07058	5.3
83.04938	4.1
85.88052	2.2
91.05482	20.0
93.03400	1.8
93.07030	8.2
95.04950	4.5
95.08604	5.1
101.06010	2.3
101.82320	1.9
103.05446	4.5
105.07037	19.9
107.04958	2.8
107.08578	6.8
109.02913	4.3
109.06522	4.8
111.14762	2.7
115.05466	9.0
117.07032	12.3
119.04952	2.4
119.08573	10.4
121.06498	5.6
128.06233	13.7
129.07031	27.4
130.07834	1.9
131.08559	33.0
133.06483	3.6
135.08037	4.2
137.05963	3.1
141.06989	14.0
141.39236	1.8
142.07811	23.0
143.08577	37.5
144.05751	2.6
144.08919	3.7
145.06485	8.4
145.10136	29.0
147.08049	5.9
147.11682	3.4
149.05887	2.4
149.09685	2.8
151.07622	2.3
153.07018	9.3
155.08562	16.4
156.09375	22.5
157.06483	5.3
157.10143	50.5
158.07237	5.1
159.08066	13.3
159.11771	4.2
161.05995	3.6
161.09618	3.0
163.07599	2.2
165.07045	18.0
166.07791	24.1
167.08350	2.4
169.06497	2.7
171.08055	7.5
171.11717	32.7
172.12056	3.4
173.09642	37.8
173.13237	2.7
175.07547	3.5
175.11189	3.9
177.06972	2.9
179.08598	2.2
181.10132	67.9
182.10475	2.8
183.08067	4.7
184.08826	10.8
185.09659	17.3
187.07599	4.0
189.05414	2.4
191.10661	11.3
199.11191	100.0
200.11571	9.5
201.12773	7.2
203.06998	4.3
203.10681	35.1
205.06537	5.7
209.09631	22.0
211.93535	2.0
212.08337	9.6
217.08656	5.1
217.12247	25.0
219.10150	2.1
227.10674	94.3
228.11006	8.6
229.12086	2.5
235.07585	5.4
245.11751	30.4
246.12065	4.9
263.07010	7.8
263.12823	14.4
263.16382	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	263.1281
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
53.03952	1.2
55.01860	2.5
55.05502	1.0
57.03437	1.2
58.44507	1.1
59.25229	1.0
65.03922	1.9
67.05496	4.0
69.03422	3.2
69.07054	1.7
69.25248	0.9
71.05004	2.7
71.56096	0.8
71.56497	1.0
73.02919	2.5
79.05514	5.6
81.07057	3.8
83.04998	1.6
91.05483	12.0
93.07043	3.8
95.04977	2.5
95.08604	3.1
97.06534	3.7
99.04417	1.4
103.05487	1.3
105.07043	10.7
107.04937	1.9
107.08633	4.8
109.06524	2.3
111.04460	1.6
115.05457	2.9
117.07041	7.6
119.04861	1.4
119.08601	10.1
121.06531	4.5
121.10137	2.1
123.04435	1.6
123.08099	1.7
128.06250	4.7
129.07030	10.0
130.07745	1.1
131.08588	11.0
133.06505	2.7
133.10130	3.5
135.08069	14.4
137.05978	4.1
141.06979	3.1
142.07835	4.9
143.08559	9.2
145.06456	5.7
145.10132	14.6
146.07199	1.3
147.04425	1.3
147.08058	6.6
147.11711	2.9
149.05919	1.7
149.09636	1.6
151.07553	1.7
152.06158	1.3
153.07011	3.1
155.08551	4.8
156.09361	5.2
157.06471	2.2
157.10124	11.0
158.07275	6.9
159.08060	7.7
159.11620	2.3
160.08890	5.1
161.05984	2.1
161.09613	6.2
163.07555	5.8
165.06978	2.2
166.07698	2.2
169.06462	1.5
170.07355	1.0
171.08052	2.3
171.11707	16.4
172.08815	1.2
173.06036	1.1
173.09645	34.3
175.07559	3.2
175.11224	9.8
176.06183	7.0
177.07022	55.0
178.07825	5.9
179.07147	1.6
179.08539	6.9
181.06560	2.6
181.10176	4.3
183.08029	1.6
184.08804	5.9
185.09682	11.5
187.07616	1.4
187.11150	1.1
189.07013	2.6
189.09117	3.1
189.12775	5.2
191.10701	3.1
199.11223	20.4
200.11977	2.0
201.09235	2.2
201.12778	2.5
203.10690	19.3
205.06512	57.3
206.06978	1.2
207.08072	1.5
209.09641	1.3
212.08328	2.4
217.12279	18.1
221.11700	1.0
227.10683	21.5
233.06009	3.8
233.11694	2.0
235.07568	100.0
236.07806	1.4
245.07957	1.2
245.11760	58.4
263.07068	94.3
263.12759	14.1
264.07532	1.7
264.16013	2.1
273.08939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0706
Annotation	Lanceolatin B (flavonoid)
Peak:m/z	Relative Intensity
53.80026	0.2
55.36487	0.2
70.03716	0.9
70.04057	0.3
80.87618	0.3
91.05499	0.3
105.07045	0.3
109.13130	0.2
113.12742	0.3
119.08590	0.4
129.07022	0.3
131.08554	0.4
135.08057	0.6
143.08592	0.4
145.10181	0.3
147.08134	0.4
150.04729	0.3
151.05441	0.6
151.46048	0.2
152.06253	0.4
153.06981	1.3
156.09377	0.3
158.60074	0.3
165.06987	0.5
169.06532	0.6
171.11664	0.5
173.09641	0.6
176.06200	4.5
177.07007	30.2
178.07785	2.9
179.08572	3.8
181.06511	2.0
187.05534	0.4
189.06998	4.3
199.11246	0.8
205.06505	56.1
206.06961	0.8
207.08083	0.5
209.05968	0.8
209.09697	0.3
219.04350	0.4
227.10733	0.4
229.01500	0.3
233.05986	17.2
234.06508	0.3
235.07555	62.8
236.07935	0.7
245.06114	0.3
245.11810	0.9
249.05522	0.8
251.07053	0.5
263.07050	100.0
264.07382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22647	0.4
70.73206	0.7
70.73534	0.6
93.96745	0.4
143.03130	0.8
161.02956	0.6
173.04195	0.8
245.06363	0.5
263.07401	100.0
264.07608	0.7
264.13919	0.4
268.80484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
51.41743	2.8
53.03943	4.0
55.05511	5.5
57.35616	2.7
65.03934	3.5
67.05508	10.0
69.03444	4.9
69.57289	7.4
69.57698	12.0
71.73223	3.1
74.04929	2.7
79.05505	19.5
81.03423	4.5
81.07050	9.9
91.05486	33.4
93.03436	3.5
93.07062	7.8
95.04983	12.2
95.08620	4.4
98.21507	4.0
102.18825	2.9
102.84975	2.6
103.05461	5.9
105.07047	35.6
107.04974	3.7
107.08594	8.1
109.02872	7.5
109.06505	4.8
109.10115	3.5
115.05429	15.9
116.09100	3.2
117.07027	19.5
119.08571	15.0
121.06508	9.8
121.10208	3.2
123.04443	11.6
128.06219	28.6
128.19002	2.9
129.07024	37.4
130.07794	4.0
131.04948	4.3
131.08582	19.1
133.06552	3.7
133.10179	5.3
135.04445	5.2
135.08047	22.6
141.06984	21.0
142.07787	17.5
143.08559	52.2
145.06502	10.3
145.10133	27.0
147.04440	4.4
147.08029	7.1
149.05997	7.7
153.06978	14.2
154.07826	4.6
155.06114	2.9
155.08531	27.5
156.09340	22.4
157.06538	9.6
157.10138	16.2
159.04428	8.8
159.08072	6.4
159.11700	3.1
161.06088	3.1
161.09662	5.5
163.07568	4.6
165.07011	17.8
166.07767	17.1
167.08583	4.4
168.09415	7.5
169.06493	4.5
169.10173	6.4
171.08040	25.6
171.11693	50.3
173.09651	12.1
175.07553	7.4
175.11179	4.5
177.06996	12.2
178.07819	8.0
179.08578	6.4
181.10130	34.1
183.07967	3.8
183.11670	5.4
184.08896	10.5
185.06035	12.4
185.09674	8.8
189.09261	3.4
189.12805	9.2
199.07582	16.7
199.11200	71.5
203.10582	3.8
205.06523	9.9
207.08096	3.0
209.09676	7.9
217.08562	3.1
217.12175	16.5
227.10669	100.0
233.05968	3.3
235.07530	32.6
245.11790	28.1
263.06937	37.9
263.10345	4.1
263.12894	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	263.0705
Annotation	Lanceolatin B (flavonoid)
Peak:m/z	Relative Intensity
55.01873	0.3
56.40004	0.2
71.55245	0.3
71.55656	0.2
72.08155	0.3
88.32843	0.2
91.05492	0.2
95.04975	0.2
106.96178	0.2
124.07607	0.3
152.06186	0.3
153.07043	0.4
163.05379	0.2
165.07019	1.3
169.06473	0.3
172.38916	0.2
176.06229	3.0
177.07005	27.4
178.07790	14.4
178.09395	0.4
179.08568	13.0
181.06517	0.2
189.07004	7.4
190.07817	0.4
192.05634	0.2
193.06473	0.7
205.06502	34.3
206.07120	1.1
207.08043	5.7
208.08583	0.2
217.06441	1.0
223.07588	0.3
227.10756	0.2
233.05997	4.5
234.06615	0.7
235.07550	86.1
236.07903	1.2
245.06114	0.3
263.07043	100.0
264.07593	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25040	0.4
70.89231	1.3
76.63792	0.5
78.61402	0.5
101.00887	2.7
113.00862	1.0
114.44822	0.5
119.01932	3.2
128.25491	0.5
131.01917	1.3
141.26068	0.5
143.01924	4.3
155.01904	1.5
161.02977	6.6
173.02971	2.5
173.04239	0.6
185.02925	1.0
190.76625	0.5
191.04050	1.0
197.02802	0.6
203.03958	2.2
225.31734	0.5
244.13934	0.4
263.07410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09757	0.8
52.07806	0.8
54.78723	1.1
61.74047	0.8
67.12512	0.8
71.41781	1.0
72.08147	1.0
73.02942	1.0
75.51248	1.0
82.99828	1.8
83.80003	1.0
85.02909	1.6
88.52418	0.9
101.00889	28.5
113.00880	7.5
119.01929	35.8
131.01918	20.4
133.03513	1.6
137.02951	2.3
143.01910	49.0
145.03482	3.5
149.02957	1.5
155.01906	16.1
157.03476	3.2
161.02969	100.0
162.03186	1.3
167.01910	2.2
173.02979	32.6
174.03082	1.0
175.04564	1.6
179.04060	1.9
182.47449	0.9
184.04572	1.3
185.02994	8.7
191.04015	19.4
197.02942	1.6
203.04028	20.7
215.03970	2.8
221.05125	3.3
233.05026	1.9
238.83562	1.1
263.07550	79.4
281.07150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.6
55.05553	0.9
56.96577	2.9
57.03475	1.1
59.59278	0.6
61.02981	1.1
67.05554	0.6
69.03484	2.7
70.06630	1.4
70.98168	0.6
71.05028	1.5
71.55037	0.9
72.08221	2.0
73.02979	1.8
81.03451	1.3
81.07109	0.6
82.99933	2.6
84.07531	0.5
84.08198	2.0
84.96085	0.8
85.02917	5.1
86.09748	1.1
87.04501	0.9
87.34095	0.6
97.02913	5.3
98.06117	0.7
98.97587	3.1
99.04537	0.8
101.00892	23.4
102.09243	0.6
105.00459	0.6
109.02914	0.9
110.07220	0.9
113.00883	6.1
115.02483	1.7
116.98675	2.0
119.01939	40.7
120.08129	0.6
121.01627	0.8
127.03873	0.6
128.98615	1.0
129.10246	0.9
131.01921	21.5
133.01678	0.7
133.03510	1.8
134.99760	0.6
136.07582	0.7
137.02959	4.4
139.03999	0.7
143.01915	45.4
145.01686	0.9
145.03479	2.8
146.04910	0.6
149.03018	3.1
154.03822	1.0
155.01913	9.9
157.03514	4.4
157.07623	0.7
158.99693	1.1
161.02980	100.0
162.03062	0.9
167.01953	1.7
173.02994	28.4
173.04512	1.4
175.03024	0.8
175.04556	2.3
177.00656	0.7
179.04019	2.9
182.06140	0.7
182.07755	0.6
184.04579	2.7
185.02991	7.2
185.06503	1.0
187.04434	1.2
191.04034	16.3
197.02911	2.1
203.04016	21.6
203.06982	0.8
214.05672	0.8
215.04030	1.3
217.05469	0.8
221.03169	0.9
221.05031	3.5
233.04976	1.7
239.06078	0.7
245.04968	2.0
246.08591	2.7
263.06006	20.9
263.10654	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05504	1.3
57.07074	0.6
58.06596	1.1
60.04518	0.5
60.28715	0.4
67.05504	2.9
69.03413	0.8
69.07060	1.8
70.06597	0.7
70.79382	0.4
71.05004	0.5
71.57661	0.6
79.05505	3.6
81.07065	5.4
82.06611	0.5
82.07362	0.5
83.04980	1.4
83.08617	0.9
84.08136	1.1
91.05479	3.4
93.07049	4.3
94.06584	0.6
95.04940	0.5
95.08057	0.5
95.08612	6.4
96.08094	0.7
97.06541	0.5
97.10239	0.4
105.07043	6.9
107.04963	1.3
107.08605	7.8
109.06509	1.1
109.10152	2.8
111.08076	1.1
117.06980	0.8
119.08587	4.8
120.08879	0.5
121.06521	0.9
121.10145	2.8
123.11723	1.4
129.07027	0.6
131.08571	2.5
132.08780	0.4
133.06552	0.6
133.10149	3.1
135.08064	1.0
135.11716	1.3
137.09641	0.6
138.12868	0.5
143.08614	0.8
145.10117	2.9
147.08058	0.6
147.11708	6.5
149.08481	0.8
149.09616	2.1
149.12047	0.6
150.12689	0.6
153.06821	0.5
157.10129	1.1
159.11716	0.7
161.13245	1.4
162.12764	2.4
171.11699	1.2
174.09125	0.7
182.06810	0.4
186.09192	0.6
187.14874	2.2
188.14392	2.3
189.12744	0.9
193.48250	0.4
199.11201	0.7
203.17958	6.6
205.15862	0.9
206.15413	1.2
208.57286	0.4
209.57912	0.4
216.11057	0.4
217.12323	0.5
227.10638	0.7
234.11211	2.8
235.11597	0.4
244.10390	0.5
244.20636	1.3
245.11792	1.1
245.18996	0.5
262.10941	1.3
262.14264	1.6
262.21671	100.0
263.12665	0.6
263.22058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2169
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05513	4.3
57.07075	1.0
60.04530	6.4
65.17683	0.5
66.37781	0.5
67.05512	9.7
68.50860	0.6
69.07076	7.6
69.43715	1.4
69.44112	4.0
70.06596	15.9
73.57953	0.6
77.03954	0.6
79.05499	4.1
81.07066	15.6
83.08605	2.1
86.06030	0.7
88.04008	0.8
91.05487	6.9
93.07051	22.2
94.07375	0.8
95.04974	0.7
95.08612	20.8
96.08130	1.7
97.10165	1.0
100.07558	1.0
105.07042	26.3
107.04932	1.6
107.08602	13.8
108.08893	0.8
109.10165	17.9
111.11710	0.8
112.07622	4.5
113.96459	0.5
117.07002	1.1
119.08589	27.8
121.10154	10.2
123.11706	6.7
131.08591	1.2
132.08873	0.6
133.10141	13.2
135.11700	7.4
137.13330	0.6
138.12767	1.6
145.10117	2.3
145.61916	0.6
146.10498	1.3
147.11699	18.0
149.08386	1.2
149.13205	0.7
156.06654	0.5
158.25476	0.5
159.11633	1.1
160.12122	0.6
161.13269	14.8
162.09195	0.7
168.09334	0.7
175.14821	3.1
183.11720	0.7
191.09464	0.7
202.16756	1.1
203.17989	8.3
216.10141	0.7
220.20644	1.3
234.11232	4.1
244.20964	1.1
245.11517	0.7
246.11186	0.9
247.12024	0.9
262.10764	2.1
262.14386	6.2
262.21677	100.0
263.18030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
53.03924	0.3
54.44336	0.3
55.05503	1.3
57.07072	0.4
58.06605	8.3
58.59480	0.3
67.05520	2.0
67.81778	0.3
69.07072	3.0
69.45124	2.5
70.06585	0.3
73.73122	0.3
79.05481	1.3
81.07062	3.5
83.08607	1.0
84.04522	1.7
91.05486	1.8
93.07063	2.6
94.06564	0.6
95.08615	5.0
97.06520	0.4
105.07021	3.4
107.04925	0.5
107.08582	2.2
108.08104	0.6
109.06541	0.4
109.10155	1.4
111.08105	0.4
112.07578	1.1
117.06995	0.9
119.08594	2.2
120.08867	0.4
121.06475	0.6
121.10130	2.1
123.11721	0.6
125.87264	0.3
129.07005	0.3
131.08572	7.6
133.10136	0.8
135.11740	0.5
136.11211	7.9
136.12160	0.7
142.96609	0.3
143.08566	1.0
145.10135	4.3
147.11656	0.9
149.09663	0.6
157.10190	0.4
159.11720	0.7
161.13318	0.5
163.11171	0.4
163.14816	1.8
165.12712	0.5
168.13861	0.4
171.11717	0.3
174.12790	0.3
176.14351	0.5
177.16449	0.6
178.15945	0.3
179.06955	0.3
187.14851	2.5
203.17955	0.5
205.15952	2.5
206.15424	1.1
215.40309	0.4
227.17990	0.4
234.11275	0.4
244.20613	1.8
262.21677	100.0
263.22018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05523	0.5
57.07086	0.4
58.06606	1.8
64.44955	0.3
65.47068	0.3
67.05507	1.7
69.07085	0.7
70.06582	0.3
71.55103	0.5
79.05496	1.4
81.07067	2.6
83.08621	0.4
91.05476	2.6
92.05805	0.3
93.07075	2.0
94.06557	0.6
95.08617	3.2
96.08120	0.4
96.08955	0.3
97.64810	0.3
103.53550	0.3
105.07036	5.3
107.04966	0.5
107.08601	2.1
108.08108	0.3
109.06650	0.3
109.10168	3.7
110.09672	0.3
117.07011	0.5
119.08590	2.9
121.10161	1.7
122.09697	0.3
123.08059	0.3
123.11706	0.8
124.11260	0.3
129.07011	0.5
131.08559	2.3
133.10139	3.1
135.11681	0.8
143.08559	0.6
145.10118	1.3
146.09612	0.4
147.11696	5.1
148.11192	0.4
150.12735	0.5
157.10097	0.5
159.11707	0.8
161.13281	2.2
161.37514	0.3
162.09149	5.3
162.12776	0.4
163.09900	0.6
163.11220	0.4
171.11716	0.8
173.13274	0.3
174.12770	0.6
175.14862	0.6
176.14331	4.8
185.13286	0.8
187.14856	1.1
188.14340	5.7
189.15150	0.4
190.12390	0.3
202.15947	0.8
203.10722	0.3
203.17957	7.1
204.17514	1.5
205.15843	3.4
206.15396	1.2
216.17461	0.7
218.15369	0.7
219.16124	0.9
219.30119	0.3
220.53490	0.3
227.17992	0.6
229.18291	0.4
233.18993	0.4
234.11285	0.8
244.20630	9.4
245.18913	0.4
262.21677	100.0
263.21985	1.4
271.52075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1077
Annotation	Annomontine
Peak:m/z	Relative Intensity
58.00304	0.2
65.37511	0.2
67.05472	0.2
69.07059	0.3
69.89585	1.1
70.06579	0.4
71.04980	0.3
78.41594	0.2
82.09263	0.2
85.02901	0.3
100.50874	0.2
118.87701	0.2
156.96582	0.2
173.63458	0.2
174.09117	1.2
184.07585	0.9
198.13107	0.3
201.07855	0.6
202.08641	31.0
203.09105	0.3
204.10144	0.2
216.10201	6.5
216.12329	0.3
217.10960	2.9
219.09000	0.4
234.11287	0.7
244.02400	0.3
244.13942	0.3
247.08421	25.1
262.10754	100.0
263.11075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54842	1.1
53.03956	2.3
55.01871	2.1
55.05505	2.5
56.05025	4.5
57.07072	4.7
58.06602	2.2
67.05502	4.7
68.76597	1.3
69.03423	3.0
71.13955	1.4
71.14278	2.6
74.06082	2.9
75.67200	1.4
79.05495	25.6
81.07066	16.3
88.07635	13.7
89.57417	1.3
91.05493	11.2
91.05981	1.9
93.07038	4.7
95.04971	2.3
97.02915	2.5
97.06547	10.1
103.05481	2.5
105.07034	33.1
107.04951	4.5
107.08602	2.7
112.83210	1.4
115.05462	4.3
117.07044	6.9
118.08637	1.9
119.04942	2.4
121.06487	2.6
122.08138	1.9
125.05987	4.9
128.06229	11.6
129.07014	24.9
130.26027	1.6
131.08556	13.1
133.06503	9.1
141.06985	7.8
142.07776	5.6
143.08569	39.7
145.06479	3.7
145.10184	7.9
146.27673	1.7
147.08034	2.4
151.07568	6.0
153.07037	7.6
154.07849	3.3
155.08585	14.6
156.09372	13.5
157.06500	7.0
157.10078	4.9
158.07230	2.7
159.08070	6.5
161.05905	1.4
165.06972	8.8
166.07787	17.7
167.08507	2.1
168.09386	2.0
169.06465	1.8
169.10107	3.9
171.08095	7.0
171.11693	42.1
173.09593	4.0
179.08585	2.1
181.10133	35.4
183.08061	3.0
183.11752	2.3
184.08887	6.9
185.06064	2.4
185.09630	4.9
197.09756	1.4
199.11194	100.0
209.09618	11.0
214.21689	16.7
217.12241	3.0
227.10678	47.6
233.79787	1.4
238.60318	1.4
245.11752	91.7
262.14322	2.6
262.21582	17.3
262.23822	29.1
263.06979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	3.0
55.01856	1.0
55.05510	13.4
57.03422	2.0
57.07082	4.3
65.03921	2.2
67.05505	43.8
68.08588	0.5
69.03395	0.6
69.06729	0.8
69.07074	12.2
69.34386	2.6
69.34822	2.7
71.04983	2.5
71.08624	1.5
77.03898	1.4
79.05492	61.9
79.80670	0.6
81.07056	51.8
83.04969	0.8
83.08617	6.6
85.06543	2.8
91.05482	32.1
93.07045	73.5
95.04972	5.0
95.08608	35.2
95.09238	1.3
97.06522	3.1
97.10145	2.5
99.08104	3.1
105.04516	1.1
105.07030	17.5
107.08595	48.9
109.06491	2.3
109.09460	1.0
109.10159	14.9
111.08078	3.4
113.09629	1.2
116.06207	0.6
117.07008	7.7
119.08576	16.9
121.10143	44.1
122.01416	0.6
123.08061	2.2
123.11684	4.9
125.09615	1.3
130.07716	1.1
131.08562	15.4
133.10133	14.8
135.08125	0.7
135.11693	35.0
137.09601	2.5
137.13228	1.4
145.10124	17.1
147.11682	11.7
149.09575	0.8
149.13260	26.1
151.11250	1.1
157.10110	0.8
159.11688	11.8
161.13269	12.5
163.14816	17.4
165.12772	1.5
173.13261	10.1
175.14790	4.5
177.16382	5.8
179.14293	2.4
187.14813	7.3
189.16374	1.3
195.40923	0.6
199.78053	0.6
201.16304	3.9
203.18152	0.7
205.15923	0.9
215.17995	2.9
217.19621	0.9
219.17470	1.1
233.22691	1.4
243.21082	33.6
257.36899	0.6
261.22137	100.0
262.22397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21365	0.7
51.13019	0.8
53.03936	3.3
55.05269	1.0
55.05517	14.1
56.21291	0.8
57.07066	3.0
65.03935	1.8
67.05510	40.6
69.07073	12.1
70.56274	2.6
71.04981	2.1
71.08644	1.1
77.03909	1.5
79.05499	55.6
81.07064	44.9
83.08621	6.9
85.06538	2.6
91.05489	29.4
93.07053	69.2
95.04984	3.9
95.08616	33.6
95.09103	0.7
95.09234	1.4
97.06531	4.6
97.10175	2.8
98.21443	0.8
99.08087	3.1
105.04560	1.2
105.06381	1.6
105.07045	19.9
107.08603	50.9
109.06543	1.8
109.10159	13.2
110.56502	0.8
111.08084	2.9
113.09660	1.7
117.07032	7.0
119.08595	15.5
121.10154	37.7
123.08070	1.1
123.11716	4.7
131.08572	15.5
132.18730	0.9
133.10146	10.5
135.11703	34.1
137.09657	1.7
137.13237	1.8
145.10135	13.7
147.11684	10.5
149.13275	25.5
151.11198	1.3
153.12764	0.9
159.11714	10.7
161.13275	12.4
163.14835	18.5
165.12787	1.0
173.13275	10.7
175.14856	5.0
177.16399	5.5
179.14357	1.7
187.14851	6.9
201.16351	3.8
215.18015	1.4
233.22557	0.9
243.21100	28.3
261.22165	100.0
262.22516	1.2
276.24384	0.8
283.85611	0.8
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	Dinortrixagone
Peak:m/z	Relative Intensity
53.03957	3.0
55.01883	0.7
55.05513	12.4
56.68728	0.5
57.03446	1.6
57.07077	4.2
59.05000	0.5
62.07041	0.5
62.41778	0.5
65.03933	1.8
67.05507	40.1
69.07069	12.8
69.89510	2.6
71.04990	1.7
71.08634	1.4
76.88898	0.5
77.03915	1.1
79.05495	61.5
81.07059	47.8
83.04962	0.9
83.08625	7.7
85.06535	3.4
85.10181	0.7
91.05484	29.2
93.07047	72.7
95.04965	5.1
95.08609	37.0
97.06538	2.7
97.10194	3.1
99.08090	3.4
100.68581	0.5
105.04519	0.8
105.07033	19.5
107.08598	48.3
109.06508	2.3
109.10162	15.0
111.08105	3.3
111.11747	0.6
113.09644	1.3
117.07021	7.0
119.08582	14.4
121.10146	42.0
123.08068	1.3
123.11700	4.7
125.09620	1.0
129.07042	0.9
131.08574	14.1
133.10130	13.4
135.08022	0.9
135.11700	34.3
137.09631	1.9
137.13220	1.1
139.11212	1.2
145.10132	12.9
145.11282	0.8
147.11684	12.3
149.13261	28.8
151.11232	1.0
151.14812	1.0
153.12772	1.0
155.08714	0.6
159.11682	10.2
161.13261	11.5
163.14824	20.7
165.12750	1.3
171.11736	0.5
173.13252	10.7
175.14835	4.3
177.12578	0.5
177.16406	5.3
179.14355	1.9
183.41803	0.5
187.14824	7.7
189.16415	0.9
191.14395	0.7
193.15816	0.6
201.16409	3.0
205.15919	1.0
215.17989	1.9
217.19608	0.6
219.17450	1.2
233.22791	0.6
243.21086	28.7
261.22150	100.0
262.22488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01860	1.7
55.05516	13.2
57.03432	2.1
57.07083	4.3
58.28558	0.8
62.97074	0.7
65.03926	2.8
66.53644	0.9
67.05510	42.4
69.06727	0.9
69.07073	14.0
69.72723	0.8
70.52462	0.9
70.94926	1.7
70.95286	1.4
71.04993	2.4
71.08601	1.4
71.54299	0.7
77.03949	1.6
79.05498	58.8
81.07062	53.0
83.04996	1.5
83.08636	7.4
85.06547	4.2
91.05484	33.1
93.07050	78.6
95.04981	5.1
95.08611	41.0
97.06523	3.8
97.10161	3.2
99.08092	2.1
102.20386	0.9
105.04505	1.5
105.07040	24.3
107.04947	1.1
107.08603	51.2
109.02872	0.9
109.06506	3.2
109.10159	15.6
111.08079	2.3
111.11751	1.5
113.09672	1.6
117.07030	8.7
119.06067	0.9
119.08585	18.7
121.06519	1.6
121.10154	49.0
123.08086	2.4
123.11706	6.1
125.09597	1.7
129.06944	1.6
130.07755	1.3
131.08582	19.1
133.10146	15.5
135.08037	1.9
135.11702	34.4
137.09605	2.6
137.13260	1.9
139.11200	1.3
139.42163	0.8
143.08549	2.1
144.09343	1.3
145.10126	18.0
147.11699	14.8
149.09587	1.5
149.13269	23.6
151.11160	1.8
151.14828	1.0
153.12762	1.1
155.08597	1.3
157.10239	1.1
158.10791	0.9
159.08124	1.0
159.11693	16.5
161.09583	1.4
161.13277	13.1
163.14842	19.6
165.12784	1.7
169.10181	2.1
173.13287	10.8
175.11180	0.9
175.14850	4.8
177.12753	1.1
177.16376	4.1
179.14340	1.9
187.11214	1.5
187.14827	7.5
197.09645	1.7
201.12662	1.0
201.16345	5.3
203.17963	1.4
205.16032	1.2
215.10651	2.2
215.18002	2.3
219.11739	2.2
219.17432	2.6
231.11737	1.4
233.22662	1.7
234.11285	1.8
243.10147	2.4
243.21112	33.0
261.16284	3.3
261.22162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	2.9
53.71817	0.8
55.01864	2.2
55.05515	13.3
57.03427	1.5
57.07057	3.6
65.03931	1.6
67.05510	43.8
69.07071	14.4
69.42095	7.2
69.97896	0.8
71.04978	3.4
71.08627	2.2
77.03940	1.2
79.05500	62.0
81.07062	55.7
83.05007	1.5
83.08632	9.5
85.06534	5.0
91.05485	29.5
93.07051	82.4
95.04980	5.0
95.08613	41.6
96.01102	0.8
97.06529	2.9
97.09615	0.8
97.10189	4.3
99.08102	4.1
105.07040	24.8
107.04913	1.2
107.08603	52.8
109.06523	2.7
109.10163	18.3
111.08104	4.8
111.11728	1.3
113.09607	1.7
115.05374	0.9
117.07024	7.5
119.08588	18.9
121.06532	0.8
121.10153	47.4
123.08093	2.1
123.11729	6.3
125.09652	1.8
127.11236	1.0
129.07002	0.9
131.08582	15.4
133.10147	15.4
135.08044	1.7
135.11708	38.8
137.09599	1.6
137.13260	1.2
139.11206	1.2
143.08571	1.6
145.10135	18.5
147.08095	1.0
147.11697	15.5
149.13266	30.1
151.11189	1.3
153.12753	1.5
155.08566	1.2
159.11699	14.0
161.13264	13.0
163.11261	1.4
163.14832	22.3
165.12776	2.3
173.09581	1.6
173.13271	12.1
175.14830	6.0
177.12798	1.3
177.16385	7.2
179.14360	2.1
187.14798	9.5
201.16389	4.8
203.17902	1.3
205.15831	1.3
215.10742	1.0
215.18008	3.1
219.17436	1.3
243.09995	1.4
243.13753	0.9
243.21107	33.2
261.11078	1.8
261.22159	100.0
262.21915	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	261.1123
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
53.03937	7.5
53.52079	1.9
55.01867	4.6
55.05521	2.3
67.05499	7.0
69.03429	4.1
69.56824	12.0
69.57230	4.3
79.05476	9.3
80.56210	2.1
81.03424	14.9
81.07045	2.3
89.72307	1.9
91.05476	15.6
93.07057	12.7
95.04963	10.4
103.05491	2.9
105.07037	47.7
107.04963	5.1
109.02885	25.7
115.05492	4.7
116.06223	2.7
117.07010	11.0
119.04882	3.3
119.08572	3.0
121.06506	100.0
123.04429	5.7
126.96690	1.7
128.06236	8.5
129.07040	11.1
129.56921	2.0
130.07716	3.7
131.04846	3.7
131.08571	22.5
133.06479	12.0
133.10078	2.3
134.78540	2.0
141.07016	14.4
142.07814	5.4
143.08546	18.7
144.05688	4.9
144.08160	3.1
144.09349	4.9
145.06451	10.3
145.10126	12.5
147.04424	2.7
147.08015	5.0
149.05997	3.7
151.07541	5.4
153.07053	5.4
154.07776	18.8
155.08562	8.9
156.09358	4.9
157.06502	6.4
157.10100	4.3
158.07265	6.9
159.04442	2.6
159.08078	20.0
159.11665	13.5
161.05940	2.2
161.09560	2.7
165.06946	3.9
167.08516	2.5
169.06479	4.3
169.10129	29.4
171.08060	19.3
171.11639	5.5
172.08804	7.0
173.09639	13.2
179.08549	9.3
181.06429	3.2
182.07188	10.5
183.08118	2.0
185.09662	7.4
187.07578	6.2
187.11194	30.7
197.09619	38.4
201.09056	6.4
215.03453	2.4
215.07219	3.9
215.10678	73.2
225.09087	21.8
231.10167	2.8
233.06055	10.3
243.10172	95.3
261.05460	10.9
261.11453	12.5
261.15140	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59286	0.5
51.31641	0.5
53.03942	2.5
55.01862	1.1
55.05263	0.8
55.05513	11.4
57.03439	1.3
57.07078	3.0
65.03943	1.3
67.05507	39.7
67.92771	0.6
69.07071	12.5
69.89394	2.8
71.04993	2.3
71.08623	1.3
77.03928	1.3
77.62979	0.5
79.05499	49.3
81.07063	45.4
81.07447	0.6
83.04965	1.4
83.08625	5.9
85.06552	3.4
91.05489	26.4
93.07050	74.7
95.04987	4.6
95.08614	34.5
97.06541	2.4
97.10180	3.1
97.11533	0.6
97.12613	0.6
99.08128	3.7
103.05442	0.6
105.04551	1.3
105.07037	16.7
107.08601	46.8
109.06508	2.3
109.10165	15.2
111.08086	2.7
113.09641	1.0
117.07031	7.1
119.06091	0.8
119.07925	0.4
119.08583	15.2
121.10150	41.8
123.08084	1.5
123.11713	4.0
125.09621	1.3
125.21454	0.5
129.06995	0.6
130.07811	0.8
131.08578	15.3
133.10132	13.3
133.11006	0.5
135.08069	1.1
135.11700	32.5
135.60391	0.5
137.09634	2.0
137.13287	2.1
139.11185	0.6
143.08575	0.7
145.10130	13.6
147.11703	11.9
149.13268	27.4
151.11200	0.9
151.14796	0.8
159.11708	10.9
161.13266	11.3
163.11203	0.7
163.14830	19.1
165.12767	1.4
171.11746	0.6
173.13278	10.9
175.14827	6.0
177.12840	0.7
177.16420	4.7
179.14334	1.7
187.14853	7.2
189.16359	1.6
193.15907	0.6
201.16379	3.4
205.15862	0.7
215.17940	1.8
219.17488	0.6
233.22667	0.9
233.60129	0.5
243.21098	29.8
261.22165	100.0
262.22153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0311
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96559	0.8
61.44425	0.2
68.43778	0.2
70.40720	0.8
75.62934	0.2
81.07039	0.2
82.99835	0.4
84.96059	0.3
98.97593	3.6
101.00888	2.7
102.96937	0.2
116.98627	3.0
119.01933	8.4
120.01949	0.3
134.99721	1.4
137.02982	1.1
143.01871	0.4
145.92424	0.2
146.99734	0.3
153.00891	0.3
158.99876	1.2
161.02974	0.5
175.03067	0.3
177.00969	14.9
182.99907	0.3
195.01913	0.4
201.00883	1.8
210.08275	0.3
217.04128	2.3
219.02017	21.0
220.02148	0.6
221.01802	0.4
225.00873	2.3
237.02931	0.4
237.98824	1.3
242.03758	0.4
243.02022	9.9
244.02167	0.3
254.96964	0.2
260.04761	0.3
261.03082	100.0
262.03223	3.1
263.03568	0.4
266.03833	0.4
275.04605	1.3
279.00647	1.7
284.04663	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	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.04819	0.8
56.05040	6.9
56.96560	2.2
58.99574	0.8
67.05490	2.1
69.03433	1.5
69.04536	1.4
69.07068	4.4
69.56729	6.0
70.06581	1.7
71.04989	1.2
72.08157	2.6
74.02428	1.9
74.06053	1.0
81.03401	1.6
81.07034	1.2
82.06562	1.2
83.06105	63.6
83.48576	0.9
84.04507	80.0
84.08147	31.2
85.02884	3.1
86.09709	100.0
89.64924	1.0
91.05443	0.8
91.43211	0.9
95.04980	1.3
96.04495	1.4
97.02882	2.1
98.20745	1.6
98.97575	3.9
101.07146	8.6
110.06046	1.1
110.97598	0.9
111.04456	1.3
111.45875	0.9
112.07601	1.1
116.98595	2.3
123.04466	1.7
128.98650	1.1
129.06627	4.6
129.10239	3.6
130.05051	1.5
130.06509	5.4
130.08669	1.9
132.04462	2.0
132.10207	33.5
134.05994	1.1
134.99588	1.3
135.06772	2.1
136.07503	1.1
136.48727	0.9
138.05489	1.7
139.03935	1.0
141.06583	1.9
142.04984	1.1
144.06570	1.1
145.06482	1.7
146.05991	1.9
147.07666	1.8
147.11285	2.8
149.02660	0.9
156.04355	1.3
157.07631	4.5
157.13367	9.8
158.06015	8.1
160.07579	1.6
161.07941	1.5
164.07135	1.3
167.07021	1.2
173.07103	4.2
174.05516	2.7
177.05585	0.9
182.03438	1.1
185.12877	2.4
186.09123	11.4
196.14479	9.2
197.12875	32.9
201.06595	1.1
202.04971	2.2
213.98656	1.5
214.05363	2.7
215.08112	1.4
225.12381	4.5
242.05350	1.1
242.15005	70.3
243.13396	33.7
243.17137	1.8
247.67015	1.4
260.02109	1.1
260.06693	5.8
260.10077	4.4
260.16519	2.0
260.19760	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	259.1694
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
51.28364	0.5
53.01329	0.6
53.54289	0.6
55.05501	2.4
57.05906	0.5
60.27477	0.5
65.03951	0.7
67.05515	3.1
69.03427	2.9
69.07061	1.4
71.14174	1.3
79.05489	3.4
81.07063	7.3
91.05480	5.1
93.07050	7.9
95.04948	0.9
95.08610	10.0
97.06541	1.5
105.07034	11.0
107.08595	9.9
109.06510	1.5
109.10149	1.9
111.08091	1.6
115.05405	0.9
117.07028	1.8
119.08584	13.3
121.06450	1.2
121.10138	2.3
123.08044	1.1
128.06192	1.6
129.06984	4.0
130.07768	0.9
131.08578	3.8
132.05684	0.6
133.06477	0.6
133.10139	9.2
135.08052	3.5
136.35326	0.7
139.07530	1.0
141.06978	1.8
142.07780	10.0
143.08562	10.6
144.09259	0.8
145.06557	0.6
145.10115	5.6
147.08063	1.2
149.02264	1.0
149.09641	2.4
151.07527	1.0
153.09076	0.7
155.08571	2.5
156.09319	3.4
157.10135	70.8
158.10883	1.1
159.07967	1.1
159.11697	6.2
161.09628	12.9
165.09119	2.1
169.10123	2.0
170.10928	0.8
171.08064	0.6
171.11691	11.8
172.12248	0.7
173.13239	2.0
175.11195	2.1
181.10217	1.3
184.12514	1.4
185.09631	1.1
185.13249	2.4
189.09122	1.3
189.12738	3.5
197.13295	4.9
198.14090	1.0
199.11113	2.3
199.14830	100.0
200.15331	1.5
203.10704	2.9
213.09055	0.7
213.16389	29.5
213.47672	0.5
215.73874	0.6
217.12318	4.7
217.15880	3.7
223.14799	2.0
231.10074	0.8
231.17439	1.3
241.13646	1.1
241.15909	10.3
259.06256	0.7
259.16943	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	260.1034
Annotation	Caerulomycin I
Peak:m/z	Relative Intensity
56.05033	1.1
56.96559	2.1
65.58395	0.4
67.05491	0.9
68.05028	0.5
69.03428	2.0
69.07074	1.0
70.06589	1.5
70.32007	0.5
71.05000	7.2
71.55402	0.7
72.08143	1.5
73.02930	1.0
74.00700	0.6
74.05668	0.5
74.06090	8.9
81.03446	1.2
82.06552	0.6
83.04959	0.6
83.06100	3.8
84.04517	4.9
84.08152	25.2
85.02908	2.9
86.09718	6.3
91.05487	0.8
97.02937	2.6
98.03221	0.9
98.06030	0.5
98.09761	0.6
98.97594	2.2
99.04468	0.5
100.02199	4.5
101.02611	2.3
102.76369	0.5
105.07094	0.6
107.05007	0.5
109.06483	0.5
110.06049	1.0
110.97573	0.7
111.04475	0.6
112.05095	9.9
112.07635	0.6
114.63441	0.5
115.05479	0.6
116.98611	1.7
119.04944	0.5
127.03960	0.7
128.98669	0.7
129.06627	0.6
129.10242	3.3
130.06543	59.0
132.08109	1.3
132.10202	1.5
137.06049	0.7
138.05470	1.2
139.03946	0.6
140.04996	0.9
142.06583	2.4
143.00139	0.5
144.09280	0.5
146.02716	3.0
146.99678	0.5
147.03108	2.5
147.11322	1.9
151.03880	1.0
156.06763	1.1
157.07632	100.0
158.05994	1.2
158.08080	0.6
159.09163	3.8
169.07732	0.6
171.01126	1.3
174.04379	0.6
182.09267	3.3
185.07127	12.0
186.09213	3.1
188.04877	0.6
189.00613	0.6
196.14438	1.0
197.12874	1.8
203.08138	1.0
204.13837	0.9
214.05389	1.1
214.07275	1.6
214.09773	1.4
214.11934	0.5
219.01817	0.8
228.09836	8.8
236.99226	1.0
237.02837	1.4
242.14970	2.5
243.07069	0.6
243.13446	1.2
243.17091	1.4
260.06073	1.7
260.10324	51.9
260.12619	10.3
260.19666	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	259.1694
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
52.39252	0.6
53.03927	0.7
55.05516	3.2
57.07060	1.3
59.17489	0.6
59.98029	0.6
67.05505	1.6
69.07066	3.3
72.08164	4.3
73.08489	1.0
79.05481	4.5
81.07051	4.5
81.79716	0.6
88.07655	0.7
90.09210	3.0
91.05484	6.1
91.09545	0.6
93.07055	5.0
95.04985	1.2
95.08609	3.2
100.22622	0.6
103.05466	0.6
105.07037	17.9
107.08594	4.5
107.67992	0.7
109.06480	1.0
115.05466	1.9
116.06292	0.6
117.07024	3.1
119.08578	7.0
128.06232	12.9
129.07019	14.6
130.07759	1.1
131.07690	1.1
131.08583	10.1
133.10110	1.3
141.06953	4.6
142.06638	0.8
142.07788	25.2
143.08566	49.2
143.55087	0.6
144.09315	2.5
145.10121	5.8
147.11644	0.6
155.06206	0.6
155.08575	7.1
156.09361	10.1
157.10135	51.8
158.10966	3.1
159.11699	14.7
169.10141	9.3
170.10966	4.6
171.11697	24.6
173.09764	0.6
175.11281	0.7
176.05090	0.7
182.10941	1.7
183.11781	1.0
184.12488	6.0
189.16272	0.7
197.13303	2.6
199.14830	100.0
201.12823	0.7
217.15889	9.0
259.16946	17.9
259.28268	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1331
Annotation	Mucidin
Peak:m/z	Relative Intensity
55.01625	0.3
55.01873	1.2
55.05521	0.3
56.94201	0.3
67.05515	0.3
69.03420	0.6
69.07067	0.3
70.40230	1.0
74.21555	0.3
79.05486	0.6
81.07050	0.6
84.98255	0.3
87.04468	1.1
91.05492	1.6
93.07033	0.4
93.59448	0.3
95.08611	0.5
105.07059	0.9
107.08602	0.5
115.05463	0.5
115.77600	0.3
117.07011	1.0
119.08620	0.8
121.06517	0.7
128.06180	1.9
129.07013	2.3
130.07841	0.4
131.08569	1.0
133.10165	0.4
135.08035	2.1
141.07005	1.7
142.07744	0.9
143.08556	5.3
145.06493	4.9
145.10124	7.1
148.44043	0.3
152.06293	0.5
153.06966	1.7
155.08554	4.4
156.09340	5.2
157.06494	1.0
157.10081	1.9
158.07278	6.3
159.08063	4.8
159.11696	0.5
160.08842	9.0
165.06982	5.3
166.07784	7.2
167.08568	0.4
168.05772	0.4
169.06505	7.0
169.10274	0.4
171.08073	6.3
171.11713	4.2
172.08852	1.6
173.09625	58.2
174.10066	0.5
178.07721	0.4
179.08569	1.1
181.06590	0.3
181.10117	6.5
182.07364	0.5
183.08064	8.7
183.09682	0.6
184.08838	25.9
185.09576	1.6
185.13309	0.4
186.10373	0.4
191.08661	0.3
194.07306	1.3
195.08124	0.5
197.05939	1.2
197.09648	2.2
198.10411	1.0
199.11183	100.0
200.11516	1.5
203.10612	0.6
209.09616	18.1
212.08333	9.2
226.09926	0.9
227.10669	47.5
228.10989	0.4
229.08485	0.4
231.10219	1.7
231.13736	0.6
245.11818	0.4
259.13293	14.5
259.16498	0.7
259.17111	0.6
259.20532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
55.05494	0.8
67.05500	0.6
69.03416	1.4
69.07064	0.8
70.10212	2.2
79.05490	1.0
81.07052	1.2
88.94799	0.4
91.05473	1.2
93.07067	1.1
93.41905	0.5
95.08617	1.6
97.02873	0.6
97.06549	0.6
99.00820	0.9
105.07019	2.6
107.08591	1.2
115.05452	1.2
117.06982	1.6
119.08600	1.9
121.10162	0.7
128.06224	1.6
129.07019	2.5
130.07851	0.5
131.04945	0.7
131.08537	1.6
133.10117	1.3
135.04393	0.5
135.08046	0.6
141.06956	3.0
142.07788	5.3
143.08563	2.5
144.05679	0.5
145.06473	1.8
145.10117	7.0
146.07277	0.6
149.02440	0.6
149.09593	0.5
152.06204	1.9
153.07018	1.3
154.07767	0.9
155.04977	0.7
155.08549	3.5
157.06479	3.6
157.10098	4.8
158.07272	7.7
159.08080	2.2
159.11633	1.2
161.13258	0.5
165.07033	2.3
167.08606	4.8
169.06476	2.3
169.10118	1.3
170.07289	6.7
171.08089	4.2
171.11726	1.0
172.08736	0.6
173.06250	0.9
173.09630	45.5
174.06808	0.7
181.06499	0.9
181.10217	0.6
182.07294	0.6
183.08026	4.2
184.05154	0.8
184.08830	0.5
185.06029	3.4
185.09621	22.4
187.07535	6.3
187.11063	0.8
195.08044	9.2
197.05992	2.1
197.09627	2.2
198.06763	26.1
199.07547	4.8
199.11185	1.6
199.14874	0.7
200.08253	0.8
201.05447	0.7
211.03867	1.8
212.08282	1.6
213.09113	37.1
214.09767	1.1
215.07011	0.5
215.10596	0.7
223.07542	0.9
225.05534	0.7
226.06276	3.7
227.07104	0.6
229.04987	4.8
231.10173	2.8
241.08604	26.3
242.05801	0.6
243.06557	8.1
244.07320	64.2
259.09668	100.0
259.17001	1.6
259.20575	1.9
260.09952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.1
55.05512	3.9
57.03430	11.4
61.02926	6.4
69.03432	40.1
70.06625	3.6
70.52129	9.7
71.04988	5.8
72.08162	7.7
73.02907	7.9
81.03417	18.3
83.04976	15.4
84.04485	4.1
84.08154	7.0
85.02908	64.4
85.21992	3.0
86.09692	6.4
87.04465	4.1
95.04972	10.9
97.02902	100.0
99.04478	9.1
101.61185	3.4
103.03969	3.2
104.10749	45.6
105.10991	3.3
109.02900	38.5
110.07175	13.3
111.04464	19.3
115.03957	8.1
123.04441	5.7
125.00000	11.0
127.03925	89.5
139.03920	11.1
157.04956	49.9
169.04988	18.2
170.08141	9.1
175.06049	12.2
178.04897	5.0
183.07639	3.4
184.07330	4.5
187.06000	48.7
193.07098	22.9
195.27707	3.5
205.07162	17.7
212.13963	6.2
221.48212	4.4
223.08150	42.1
240.08673	6.5
241.15508	4.8
258.11011	7.1
258.14441	4.9
258.18179	8.1
259.13007	4.7
273.84860	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01874	1.2
55.05514	13.0
57.03432	1.3
57.07078	2.7
61.64122	1.0
65.03955	2.1
67.05511	33.3
69.03419	1.9
69.07066	8.5
70.06580	1.3
71.05007	3.4
71.12949	2.8
77.03947	1.1
77.83456	1.2
79.05492	11.4
81.07058	23.6
83.04982	1.7
83.08627	4.4
85.06557	2.6
89.69331	1.2
91.05493	23.9
93.07042	10.3
95.04978	2.4
95.08616	14.2
97.10175	2.8
105.07045	19.0
107.08615	7.2
109.06532	1.8
109.10161	7.7
111.08101	1.3
115.05476	4.7
116.06252	2.7
117.07028	41.9
119.08586	14.9
121.06514	2.0
121.10155	7.3
123.08086	2.3
125.09654	1.2
128.06230	10.7
129.07018	30.1
130.07779	6.9
131.08577	80.8
133.06493	2.7
133.10138	13.5
135.08067	3.4
135.11745	1.5
141.07013	15.9
142.07809	6.0
143.08571	34.5
144.09282	1.4
145.10133	100.0
147.08060	2.6
147.11702	5.1
149.09656	2.6
149.13268	1.7
153.07071	2.0
154.07777	3.5
155.08569	18.1
156.09326	3.7
157.10132	29.0
158.10934	1.3
159.08092	5.2
159.11707	43.4
161.09612	5.1
161.13286	4.6
167.08578	2.2
168.09344	3.7
169.10133	19.8
171.11700	38.1
173.09666	5.2
173.13274	18.3
175.11189	4.6
181.10229	2.5
182.10890	2.0
183.05504	1.3
183.11719	35.9
185.13246	7.0
187.11272	7.9
187.14854	3.5
189.12724	2.1
196.12505	1.8
197.13284	22.5
199.14909	6.3
201.09149	1.8
201.12833	5.7
201.16411	2.1
211.11238	1.3
211.14861	9.6
213.16394	5.8
215.14363	3.3
215.17934	3.2
229.06161	3.0
229.15854	1.8
229.19550	4.9
239.14334	2.7
239.17953	46.4
257.05624	2.3
257.08154	2.6
257.11792	4.9
257.15485	13.7
257.19043	95.4
257.22580	8.0
257.26541	6.3
258.27948	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	257.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
53.62081	0.9
55.05510	11.0
57.03442	13.1
57.07058	3.3
67.05503	15.5
69.03421	2.2
69.07070	7.4
69.53212	0.9
70.06590	1.9
71.04997	1.6
79.05502	9.6
81.07062	13.7
83.04986	2.6
83.08607	4.5
85.06504	2.6
88.07613	1.2
89.59906	0.8
91.05482	22.3
93.07048	11.1
95.04971	2.0
95.08608	14.3
97.06498	1.8
97.10168	1.4
97.91597	0.8
99.08085	3.7
102.09161	1.1
103.05487	1.5
105.07032	20.9
107.08600	6.7
109.06507	3.3
109.10146	4.1
111.04445	17.1
113.09628	1.0
115.05443	4.4
116.06224	1.5
117.07018	32.0
118.40900	0.9
119.04942	7.4
119.08590	17.7
121.10123	3.8
123.11740	1.5
128.06241	6.6
129.07007	30.9
130.07768	3.9
131.04901	1.6
131.08574	37.5
133.06459	2.6
133.10124	8.6
135.08075	1.7
135.11694	3.5
141.07030	6.5
142.07777	5.1
143.07483	1.8
143.08572	23.4
144.09332	2.3
145.06465	1.9
145.10127	61.8
147.04414	20.8
147.08044	1.9
147.11694	7.1
149.09657	1.2
149.13272	1.4
154.07790	1.5
155.08554	11.0
156.09367	2.2
157.06488	1.0
157.08932	1.9
157.10141	22.8
159.08057	2.0
159.11699	37.4
161.09607	4.3
161.13257	3.2
165.06963	2.0
167.08577	1.5
168.09354	3.2
169.10136	15.3
170.10936	2.1
171.11690	11.3
172.12291	1.2
173.09660	3.6
173.13272	15.8
175.11230	5.4
175.14848	2.1
181.10106	1.7
182.10939	2.3
183.08139	1.5
183.11720	13.4
185.13264	67.2
187.07504	1.2
187.11157	3.7
187.14841	3.8
189.12796	1.0
195.11646	1.4
197.09579	1.0
197.13283	12.2
199.11154	1.5
199.14870	5.3
201.09096	1.5
201.12738	2.6
201.16409	7.7
202.12300	2.3
211.07542	1.4
211.14793	8.8
213.16362	2.3
215.06906	1.1
215.14459	1.9
215.17963	1.5
229.06163	1.9
229.19604	7.2
238.01338	1.0
239.06940	1.7
239.14308	1.7
239.17957	24.2
257.05566	1.7
257.08051	5.7
257.11746	3.9
257.15451	8.5
257.19022	100.0
257.22549	8.8
257.26624	17.4
258.18607	11.7
258.27927	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03445	5.1
57.42628	0.5
62.86795	0.6
70.84657	1.3
75.04480	2.9
77.03911	0.7
79.05491	3.9
81.07059	1.0
91.05484	1.9
94.04199	1.4
95.04977	1.0
103.05478	2.0
105.07037	31.7
107.04939	2.7
109.06513	1.2
115.05456	0.9
117.07020	0.9
117.89138	0.5
119.04919	0.7
122.03660	4.9
124.05251	0.7
131.04924	0.9
133.06500	49.5
133.61679	0.5
135.04411	0.7
135.08064	0.7
137.05986	100.0
138.06339	0.8
150.26289	0.6
151.07564	0.7
154.12428	0.5
163.07568	3.7
165.09129	24.7
175.07565	3.1
175.11182	0.8
177.09138	1.2
181.08618	2.1
183.10197	3.7
184.93863	0.6
187.03835	0.8
189.05513	0.7
201.05533	3.2
203.03421	3.9
203.10684	1.9
209.11734	1.3
215.03569	0.7
221.11800	2.1
229.04918	2.9
239.12883	0.9
257.04489	7.0
257.07269	0.8
257.13342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03946	2.3
55.01856	1.4
55.05518	8.6
57.03439	12.6
57.07074	2.7
57.48289	0.8
67.05506	15.1
69.03444	1.0
69.07072	7.3
70.06580	3.1
70.23483	3.5
71.04981	2.8
71.06923	1.2
79.05067	1.0
79.05505	11.2
81.07054	15.2
83.04958	1.7
83.08637	7.0
85.06550	2.6
88.07618	4.2
89.07950	1.2
91.05485	18.6
93.07048	9.9
95.04972	1.0
95.08614	14.5
97.02882	2.3
99.08115	5.5
102.09181	3.8
103.05459	1.1
105.07039	16.7
107.04910	1.4
107.08613	7.1
109.06547	1.7
109.10157	4.6
109.79266	1.0
111.08080	1.2
115.05464	4.4
116.06227	1.2
117.07024	39.0
117.07854	2.2
119.04906	1.6
119.08586	13.3
121.02826	1.3
121.10144	3.9
123.08060	1.7
128.06229	6.7
129.07011	29.9
130.07773	4.6
131.04953	1.1
131.08572	34.6
133.06480	1.8
133.10153	6.4
135.08078	1.3
135.11618	1.1
141.07002	7.8
142.07773	6.4
143.07491	1.8
143.08566	28.2
144.09306	3.8
145.06505	1.7
145.10132	62.4
147.04390	2.1
147.08064	2.3
147.11684	7.5
149.09669	1.8
149.13228	2.6
153.07047	1.8
154.07770	2.1
155.06046	1.3
155.08554	9.6
156.09393	2.2
157.10146	33.8
159.08070	1.5
159.11702	54.8
161.09647	3.0
161.13237	3.2
163.11134	1.7
165.07101	1.5
167.08545	2.9
168.09383	2.3
169.10124	16.2
170.10934	2.1
171.11711	14.8
173.09724	2.2
173.13277	20.9
175.04001	1.0
175.11230	3.5
182.10889	1.6
183.08167	1.1
183.11716	17.6
185.13271	85.4
187.11171	4.0
187.14828	4.5
189.12714	1.2
197.05908	1.2
197.13249	13.5
199.14816	3.8
201.12799	2.9
201.16455	6.2
210.14046	3.2
211.07541	2.0
211.14792	6.4
213.16382	2.0
215.14388	2.0
215.17947	1.6
229.06252	1.7
229.08519	1.7
229.19536	7.0
239.07004	1.9
239.17976	31.2
240.18259	1.1
257.05661	2.1
257.08148	7.5
257.11707	2.3
257.15543	4.3
257.19016	100.0
257.22498	6.8
257.26651	29.3
258.19089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1958
Annotation	Akitschenol
Peak:m/z	Relative Intensity
55.05508	15.1
57.03444	4.1
57.07084	4.2
67.05509	13.3
68.87435	3.6
69.07073	13.4
71.34569	4.2
71.34909	4.3
79.05513	8.5
80.22610	3.4
81.07072	25.6
83.08614	5.6
85.20372	3.4
91.05461	4.8
93.07030	17.4
95.04978	28.4
95.08609	24.1
97.06533	14.2
97.10158	5.3
98.98481	51.2
105.07028	21.2
107.04993	3.7
107.08605	17.2
109.06510	10.5
109.10178	17.4
111.11694	6.5
116.99500	3.8
117.07013	3.9
119.08591	11.9
121.10188	11.4
123.08045	6.9
123.11754	7.0
125.09573	3.8
131.08562	8.2
133.10117	8.3
135.11691	9.3
137.09607	7.4
141.07005	4.8
143.08600	4.2
145.10139	8.6
149.09622	6.1
155.08685	3.5
159.11703	9.6
161.13306	32.5
163.14827	6.4
165.06927	5.5
171.11618	4.6
185.09677	3.8
191.14267	5.9
191.18085	4.9
195.08083	3.8
195.11702	5.0
201.16368	10.5
219.17477	26.3
223.07616	4.6
227.07153	5.2
237.18527	100.0
255.06749	5.8
255.10269	12.9
255.13748	11.4
255.17549	11.2
255.21265	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	255.2322
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.03935	5.8
55.05516	72.6
57.03415	6.3
57.06828	4.3
57.07084	57.9
63.65958	3.3
67.05512	42.1
69.03448	3.3
69.07072	100.0
70.18413	5.5
70.18816	8.5
71.08640	41.2
73.06531	4.4
79.05502	27.9
81.07063	61.3
83.04964	10.9
83.08627	63.6
85.06547	9.5
85.10197	18.9
91.05484	12.1
93.07047	39.5
95.08615	58.9
97.06544	24.4
97.10177	34.5
98.98478	60.0
99.08081	7.9
101.05991	3.5
105.07056	21.1
107.04942	3.7
107.08591	37.1
109.10167	31.1
111.08078	17.4
111.11701	11.3
117.07056	6.9
119.08592	18.7
121.10127	28.3
123.11717	13.7
125.09641	16.4
125.13326	3.6
128.06238	4.5
129.07019	7.3
129.09055	3.4
131.08508	12.5
133.10139	11.4
135.11700	28.8
137.13268	6.3
138.46039	3.1
139.11156	14.9
142.07793	6.3
143.08530	17.3
145.10138	20.0
147.11707	8.6
149.13284	29.3
153.12762	10.0
155.08548	6.2
157.10165	20.3
159.11700	13.7
160.09991	3.6
161.13309	5.7
163.14801	18.6
167.08510	6.1
167.14384	8.3
169.10085	5.0
170.10945	3.9
171.11751	14.5
173.13301	9.4
177.16365	5.5
181.15881	7.7
185.11832	3.8
185.13200	19.5
194.10960	4.1
195.08089	5.1
199.14790	18.9
209.13258	5.2
213.16388	11.9
219.21127	41.9
227.17993	5.0
237.22160	23.2
254.99831	6.2
255.10143	11.4
255.13824	16.0
255.17392	24.9
255.21074	80.0
255.27812	3.8
268.64728	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64272	4.6
67.05508	11.7
69.07062	6.7
71.35803	10.1
79.05489	10.3
81.07057	26.8
82.06107	4.1
82.07426	5.1
91.05467	8.9
93.07058	34.2
95.08622	23.5
96.08950	5.2
98.98464	13.1
105.07037	26.9
107.08620	23.5
109.01958	4.9
109.10178	32.6
110.10522	5.8
111.08076	19.9
119.08594	59.1
121.10145	100.0
123.11699	4.8
131.08586	8.0
133.10114	10.8
143.32961	4.3
145.10126	15.5
149.13219	6.5
159.11734	37.0
161.13255	31.8
162.13712	6.8
163.11211	10.6
175.86493	4.7
181.12332	6.5
201.16393	58.6
219.17462	21.6
220.36897	4.6
236.17245	14.9
237.18529	15.0
254.18364	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	255.1955
Annotation	Akitschenol
Peak:m/z	Relative Intensity
55.05510	6.3
57.07070	8.0
67.05492	17.8
69.07051	15.6
69.92063	22.0
77.31149	3.6
79.05492	8.3
81.07058	28.4
83.08616	4.6
91.05474	7.3
93.07040	14.2
95.04968	32.4
95.08623	33.1
97.06535	18.1
98.82451	4.2
98.98482	26.5
105.07039	32.5
107.08594	16.9
109.06508	11.2
109.10158	12.7
111.11730	8.8
117.07007	4.6
119.08580	10.8
121.10152	14.2
123.11718	7.5
131.08565	6.7
133.10129	8.6
135.11713	6.0
137.09637	8.1
143.08519	6.1
145.10115	12.3
147.11737	4.8
159.11652	6.3
161.13271	46.9
163.14839	6.5
171.11673	7.7
171.56219	4.2
173.13190	7.1
186.16991	4.8
191.17905	6.9
201.16389	9.7
209.11751	6.1
213.16295	6.0
219.17456	25.4
232.38412	4.3
237.16432	7.0
237.18517	100.0
255.13884	9.5
255.17468	29.6
255.21036	29.6
255.23303	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04526	5.5
60.68064	2.2
61.02926	5.1
62.10024	2.4
67.05493	4.2
69.03438	5.2
70.17525	10.9
71.01350	10.2
72.08156	2.6
75.04501	16.4
75.19646	2.4
79.29386	2.4
81.03413	2.9
85.02898	2.9
85.06508	2.0
87.04469	5.6
97.02876	3.3
98.21455	3.1
98.98473	35.7
103.03947	24.0
111.04436	3.6
117.05724	2.2
119.04940	2.3
120.08118	4.5
121.08439	6.4
124.07588	4.3
131.03421	8.6
151.07547	3.8
159.02904	65.9
162.09177	3.7
166.08630	5.0
167.09109	3.0
187.02376	4.5
190.08632	3.5
194.08080	4.5
208.09688	5.7
219.05025	100.0
233.20528	2.6
254.05838	4.8
254.08083	3.4
254.10243	5.1
254.13940	12.0
254.18138	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74130	1.7
58.99984	2.2
59.55018	1.8
61.02928	6.7
66.85705	2.1
67.05485	1.9
69.99999	2.8
70.00408	7.7
71.01354	10.8
75.04485	18.7
79.21622	1.7
81.54386	2.0
85.02901	2.3
87.04475	6.5
89.02409	3.3
91.05479	2.0
98.98464	18.2
103.03947	24.8
124.07636	3.0
131.03418	4.8
159.02905	62.7
171.84543	1.8
187.02434	6.4
219.05014	100.0
220.05548	2.0
254.10397	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	253.1798
Annotation	Elongatol A
Peak:m/z	Relative Intensity
55.05509	7.0
57.03435	1.7
58.52721	1.0
65.30737	1.0
67.05508	16.5
69.03422	3.2
69.07076	16.1
69.68302	6.3
71.04985	3.1
77.03968	1.2
79.05485	7.9
79.52766	0.9
81.07063	30.1
83.04950	1.8
83.08611	1.9
85.06550	3.4
91.05483	10.5
93.07054	27.4
94.07365	2.9
95.04977	47.2
95.08057	2.1
95.08615	29.3
97.06552	11.7
98.97865	2.0
98.98476	33.9
105.06391	2.0
105.07040	25.4
107.04948	3.2
107.08607	26.4
108.08961	1.4
109.06520	15.2
109.09462	1.7
109.10164	21.9
110.10468	1.7
111.08081	3.9
115.05430	1.8
117.07035	8.8
119.08591	38.5
121.06506	3.7
121.10147	15.8
123.08054	8.1
123.11700	3.9
125.09600	3.2
129.06999	2.8
131.08601	9.1
133.10138	20.6
135.08057	5.5
135.11697	10.3
136.12035	4.8
137.09627	7.5
142.07748	2.5
143.08565	6.9
144.09349	2.9
145.10109	4.7
145.59830	1.1
147.08034	3.4
147.11684	10.2
149.09650	2.5
149.13304	6.3
149.67038	1.0
151.11169	2.2
153.09096	2.2
156.09308	1.5
157.09137	1.1
157.10182	13.4
159.11711	48.3
160.12105	1.3
161.09637	5.8
161.13255	15.6
165.06987	2.6
165.09105	1.5
167.10625	1.8
171.11748	3.1
173.13242	4.6
175.11165	3.9
175.14841	5.6
177.12767	43.2
179.10699	1.3
181.07713	1.3
182.07190	2.2
187.14832	1.4
189.12775	1.7
189.16409	20.3
190.16698	1.4
199.14850	16.3
207.09172	4.4
207.17461	1.8
208.17902	1.1
210.06731	2.3
211.18867	1.2
217.15898	32.3
225.09036	4.0
235.14697	2.1
235.16949	37.1
235.19325	2.0
236.13501	1.4
238.06206	1.5
251.55034	1.1
253.09570	15.9
253.17972	100.0
254.18175	1.8
269.51538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Elongatol A
Peak:m/z	Relative Intensity
55.05507	4.1
57.03429	1.4
57.07073	2.1
64.28712	1.0
65.03938	1.0
67.05512	11.0
69.03432	1.9
69.07069	5.6
70.45602	0.8
71.04986	3.0
71.09603	1.7
79.05488	6.3
81.07066	26.0
83.04984	0.9
83.08607	1.9
85.02930	1.6
85.06529	2.6
87.19772	0.8
91.05481	18.5
93.07047	15.4
94.60747	0.8
95.04973	19.0
95.08607	21.9
96.08957	1.0
97.02908	0.9
97.06535	6.1
98.43818	0.9
98.98473	43.2
98.99126	2.2
99.08096	3.0
105.07035	25.4
107.04963	1.8
107.08597	17.4
109.06525	15.4
109.10159	13.7
111.04510	1.0
111.08130	2.4
115.05458	1.3
117.07021	9.4
119.04974	0.9
119.07798	1.8
119.08594	24.2
121.06511	3.8
121.10155	11.2
123.08092	2.2
125.09609	3.3
129.07027	1.5
131.08601	6.5
133.10136	19.8
135.08080	2.2
135.11711	10.5
136.06192	1.4
137.09590	3.4
142.07787	1.9
143.08571	4.9
144.09325	1.4
145.10124	3.8
147.08017	1.8
147.11702	14.2
149.09656	1.5
149.13284	7.8
151.11230	1.2
154.07739	1.6
157.10136	11.7
159.11702	44.3
161.09660	5.5
161.13258	12.5
163.11166	2.0
165.07025	14.6
171.11659	2.9
173.13268	2.6
175.11208	3.7
175.14827	21.4
177.12758	23.9
179.08575	2.3
179.10699	1.8
181.06509	1.4
182.07295	3.2
189.12784	1.4
189.16403	12.1
193.06503	2.6
193.15831	1.8
194.07309	1.8
197.09668	2.0
197.11516	1.0
199.14806	12.5
207.08173	1.2
207.17439	1.7
210.06754	6.6
211.07494	0.9
217.15909	18.5
221.06001	3.3
225.09128	12.9
235.07585	1.4
235.16934	29.0
238.06313	4.9
253.08643	19.8
253.18001	100.0
254.18393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Elongatol A
Peak:m/z	Relative Intensity
55.05515	1.8
57.07088	1.1
65.19239	0.7
67.05496	3.5
69.03427	0.9
69.07055	3.0
71.05001	29.6
71.14091	1.3
73.26284	0.7
79.05489	2.7
81.03430	1.1
81.07069	8.5
83.08614	1.5
85.06552	1.8
91.05479	4.2
93.07046	6.7
95.04977	13.8
95.08615	5.6
97.06508	2.2
98.98478	29.6
99.04463	100.0
105.07042	7.8
107.08610	5.2
107.69775	0.8
109.06512	1.4
109.10155	3.2
113.39732	0.8
117.07016	1.6
119.08600	19.5
120.71103	0.8
121.06482	1.0
121.10162	7.1
123.11679	1.0
127.07565	1.1
130.71793	0.7
131.08553	3.1
131.58850	0.8
133.10176	4.8
135.11696	3.0
137.13272	2.0
139.07564	0.9
139.11197	2.0
142.07828	1.1
143.08591	1.0
145.10133	1.1
147.11678	2.6
149.09598	1.0
149.13239	1.2
153.09148	1.3
155.08655	0.8
157.10146	2.7
159.11703	15.9
161.09593	1.3
161.13281	2.5
165.06981	0.8
174.99141	0.9
175.11264	1.5
175.14842	4.9
177.12785	7.8
179.10728	1.1
189.16418	1.8
199.14804	3.1
217.15907	7.5
235.16943	13.3
253.08708	1.5
253.15651	0.9
253.17960	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	253.1801
Annotation	Kikkanol E
Peak:m/z	Relative Intensity
53.03944	0.5
55.01863	2.2
55.05510	3.8
57.03442	0.8
57.07072	0.7
61.02918	1.8
64.81698	0.5
65.03934	0.6
67.05510	7.5
68.87221	0.5
69.03433	1.1
69.07072	4.0
69.29482	5.3
71.04988	0.9
73.02937	0.6
79.05495	5.6
80.38298	0.5
81.03405	1.2
81.07063	15.9
81.44360	0.5
82.58507	0.5
83.04989	3.9
83.08600	1.2
85.06533	0.6
91.03932	0.8
91.05486	4.3
93.07047	8.6
93.78537	0.6
95.04997	3.1
95.08612	11.8
97.06543	3.2
97.10187	2.5
98.97860	1.1
98.98475	15.0
99.08090	3.3
101.06003	0.6
105.07036	10.3
107.04953	1.2
107.08597	9.9
109.06510	2.5
109.10159	8.6
111.04445	5.7
111.08090	1.7
111.11703	1.5
117.07009	1.9
119.08588	7.9
121.06469	1.1
121.10152	4.3
122.98801	0.6
123.08054	2.4
123.11729	1.9
125.05983	1.0
125.09628	0.7
127.07579	4.8
129.06998	1.8
131.08575	3.4
133.10147	6.1
135.08029	2.2
135.11655	2.4
139.07545	1.5
141.06967	0.6
141.09084	0.7
141.26422	0.5
142.07803	0.8
142.50177	0.5
143.08568	3.3
145.10126	2.9
147.08072	1.3
147.11703	2.4
149.09625	1.4
149.13216	1.2
151.11293	0.5
153.09125	3.4
153.88123	0.5
155.08565	0.8
157.08627	1.6
157.10152	4.6
159.11703	4.0
161.09656	1.1
161.13274	9.8
163.14832	7.6
165.09084	1.7
165.12784	0.6
171.11697	1.9
173.13248	1.9
175.11208	1.0
175.14822	2.1
177.12799	1.0
179.10681	0.9
187.14833	1.8
189.16408	2.0
199.14818	4.5
205.15845	1.1
217.15846	5.2
235.16939	21.8
253.04977	1.0
253.18001	100.0
254.18358	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Elongatol C
Peak:m/z	Relative Intensity
54.68681	0.5
55.05496	2.1
57.03429	2.3
57.07069	0.7
63.32327	0.6
67.05508	4.7
69.03409	0.7
69.07054	2.6
69.54622	3.6
69.55020	1.0
71.04989	1.1
71.08560	0.6
75.04487	3.0
79.05499	4.6
81.07059	10.3
83.08617	1.3
85.06538	1.7
91.04971	0.9
91.05489	11.9
93.07044	9.9
94.07383	0.5
95.04975	10.8
95.08611	9.5
97.06522	2.6
98.21446	1.1
98.98473	8.3
99.08079	1.1
103.05479	0.6
105.07036	20.6
107.04974	0.9
107.08591	7.2
108.79878	0.6
109.06521	8.5
109.10169	5.6
111.08051	2.0
113.05975	0.7
117.07040	3.5
119.08586	16.1
120.17594	0.6
121.06517	1.0
121.09327	0.9
121.10153	12.9
123.08105	3.0
123.11724	0.7
125.09634	0.7
129.06999	1.3
131.08572	6.9
133.10147	10.1
135.08083	1.0
135.11702	9.5
137.09630	0.9
142.07738	1.4
143.08565	1.6
145.10132	3.7
147.08099	0.9
147.11694	7.4
149.09639	1.4
149.13286	1.7
149.59570	0.5
151.11115	0.6
153.09143	0.9
157.10143	6.6
159.11694	14.3
161.09601	1.9
161.11972	1.2
161.13277	16.9
167.10703	0.5
171.11705	2.0
173.13263	4.8
175.11214	2.2
175.14819	7.9
177.12785	6.9
179.10718	0.8
179.14351	1.2
187.14827	2.3
189.12698	0.7
189.16357	3.3
193.15829	1.0
199.14853	6.0
205.15891	5.6
217.15886	12.1
235.16943	25.4
253.18005	100.0
254.18285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Elongatol A
Peak:m/z	Relative Intensity
51.63612	1.0
55.05503	4.6
57.03435	1.5
57.07072	1.6
65.03934	1.5
67.05511	10.0
69.03416	1.9
69.07076	6.5
69.75339	4.9
71.04986	3.3
79.05500	6.3
81.07067	27.2
83.04999	2.2
83.08618	1.8
85.06547	2.2
88.98801	1.0
91.05479	13.9
93.07056	14.6
95.04981	20.5
95.08055	1.6
95.08616	23.2
97.06553	6.2
98.20808	1.5
98.98474	31.3
99.08112	2.6
105.07038	27.8
107.04951	3.1
107.08604	17.3
109.06535	17.6
109.10165	13.4
111.08073	1.9
115.05431	1.9
116.99578	1.4
117.07059	8.2
117.42934	1.1
119.07796	2.3
119.08591	28.5
121.06522	4.8
121.10155	13.7
123.08112	5.7
123.11662	1.3
125.09648	2.7
128.06230	1.6
129.06982	2.1
131.04897	2.1
131.08592	7.2
133.10133	22.6
135.08028	2.3
135.11711	12.3
137.09616	2.3
139.07442	1.4
142.07802	2.9
143.08617	5.5
144.09380	2.7
145.10112	4.0
147.08049	1.9
147.11713	13.1
149.09604	2.5
149.13264	7.7
151.11137	1.9
157.10156	12.3
157.56694	1.3
159.11705	49.4
161.09637	4.2
161.13249	15.7
163.11197	3.1
163.14850	1.9
165.07002	4.4
171.11678	3.0
171.56508	1.8
173.13254	2.7
175.11198	3.0
175.14832	21.8
177.12776	30.5
179.08562	2.2
180.09064	1.2
181.06313	1.3
189.12808	1.9
189.16406	12.2
192.09277	1.4
193.15875	1.4
199.14864	12.5
207.08026	1.8
207.17459	1.5
208.08798	1.3
217.15918	21.0
221.05884	1.2
221.09367	1.4
222.58765	1.2
225.09152	2.2
235.07806	1.5
235.16969	25.6
236.08409	1.6
237.08839	1.5
238.09799	1.6
252.59851	4.2
253.08727	5.0
253.18002	100.0
254.18367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
55.05513	17.2
57.07047	4.4
67.05513	27.1
69.07079	20.2
70.52875	11.4
70.53224	4.8
71.04993	13.1
75.63126	4.3
79.05499	25.0
81.07066	74.4
83.04986	12.5
83.08621	10.0
85.06549	64.5
85.80920	3.8
91.05503	16.4
93.07063	38.4
95.04976	7.5
95.08620	41.5
95.90968	3.7
97.06540	10.1
97.10175	4.0
98.98475	53.8
99.04462	21.7
99.08097	6.9
101.06050	7.5
105.07026	34.0
107.08617	34.8
109.06525	27.9
109.09478	5.0
109.10170	50.8
111.08073	5.2
113.79396	4.4
115.91884	3.6
119.08591	65.9
121.06519	9.9
121.10151	100.0
123.08063	16.1
123.11732	5.5
125.09632	3.7
126.48938	3.6
127.07562	50.2
127.11208	5.7
131.08604	8.8
133.10149	32.2
135.08040	8.3
135.11697	23.1
137.09659	15.3
139.11156	8.7
141.23264	3.7
143.08571	7.4
145.10159	10.3
147.11716	32.3
149.09647	18.1
151.11163	4.0
153.09012	4.1
157.10149	19.5
159.11705	33.0
161.09669	8.8
161.13248	5.2
163.11201	11.7
165.12758	4.3
171.11729	5.2
173.13245	6.1
175.11212	16.5
175.14853	35.1
177.12814	20.6
179.10680	15.0
189.16428	20.0
193.15892	11.6
196.16502	3.6
199.14812	24.0
217.15852	31.1
235.16925	70.0
253.17964	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03944	4.8
55.01862	6.3
55.05515	16.9
57.03421	3.0
57.07067	7.4
58.45773	2.7
59.04991	5.8
60.94452	2.6
67.05505	30.7
69.03423	6.8
69.07069	33.8
70.74345	4.0
70.74690	6.8
71.04972	9.3
79.05492	24.2
81.03407	3.9
81.07063	71.4
83.04970	7.4
83.08602	6.2
85.06551	17.3
91.05486	19.3
92.60226	3.0
93.07053	32.3
93.91390	2.6
95.04972	10.0
95.08607	47.2
97.06524	14.1
97.10155	5.0
98.97855	5.1
98.98468	71.3
98.99107	3.5
99.04425	5.7
99.08053	3.3
101.06045	3.3
105.07027	58.6
106.07372	3.8
107.08598	37.7
109.06509	13.4
109.10166	49.3
110.26440	3.2
111.04422	4.0
111.08090	6.6
113.06039	8.5
117.07021	8.2
119.07794	4.2
119.08581	42.9
121.06500	6.0
121.10157	23.6
123.08063	9.6
123.11723	15.3
125.06017	3.4
125.09601	6.9
127.07536	5.7
129.07011	5.8
131.08592	17.7
133.06487	5.3
133.10135	38.9
135.08029	6.2
135.11673	9.3
137.09581	6.3
139.07565	3.1
139.11215	3.9
141.06874	2.9
143.08585	6.3
145.10109	11.9
147.08060	5.5
147.11684	27.1
149.09586	8.3
149.13242	10.5
151.11121	4.8
153.09062	4.1
157.10161	19.6
159.11678	15.0
161.09592	8.1
161.13275	21.5
162.60233	3.3
163.14815	5.3
165.06972	4.7
165.09070	4.0
165.12743	4.7
171.11661	5.9
172.12045	6.1
173.13182	6.5
175.11169	13.7
175.14807	13.0
176.98923	3.1
177.12698	6.8
189.12717	7.9
189.16415	21.2
190.13103	5.9
191.14308	3.4
193.12274	3.5
193.15886	5.0
199.14821	13.3
205.15758	3.8
207.17480	7.5
211.13239	7.6
217.15889	24.5
218.12614	3.7
235.16902	29.1
236.13568	9.7
244.64648	4.1
253.17972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1184
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.01876	0.5
55.05510	1.5
57.03426	0.6
57.07065	1.6
57.93553	0.5
59.78703	0.5
60.04530	51.3
61.02922	0.7
67.05497	2.2
69.03432	3.7
69.07069	2.5
70.02945	0.7
70.06597	1.4
71.04985	1.6
72.08158	0.8
73.02923	0.5
73.06549	2.0
75.33094	0.4
76.05473	0.5
79.05487	1.6
81.03410	0.9
81.04545	5.5
81.07056	3.0
83.08620	0.8
84.08204	0.5
85.02905	6.5
86.09711	1.4
87.05595	1.4
88.04017	0.7
91.05490	2.1
93.07038	2.3
95.04958	1.5
95.08595	3.3
97.02905	2.0
97.06561	0.7
98.98472	100.0
99.04459	1.4
100.98878	1.2
103.03934	0.7
103.05502	3.5
104.10725	0.5
105.07035	3.5
107.04970	1.3
107.08592	2.4
109.02886	1.4
109.06518	1.2
109.10181	1.7
110.07156	2.7
115.05495	0.7
116.99529	2.6
117.07035	1.2
119.08595	2.1
120.08112	84.7
121.06503	1.4
121.10136	1.6
122.07186	2.8
123.11706	0.7
124.07814	0.6
124.08728	4.7
127.03900	1.6
131.04933	1.8
131.08566	0.9
132.08113	0.8
133.10138	1.3
135.08060	0.9
137.05959	0.6
138.05498	0.5
141.05458	1.2
144.08069	2.5
145.04938	0.8
147.11690	1.1
149.05963	1.5
149.13274	0.7
151.07408	0.6
155.70952	0.5
157.10146	1.5
159.02968	0.5
159.11751	1.8
160.07466	0.6
161.13242	1.4
162.09093	1.6
166.08652	50.6
167.11890	0.5
174.99246	2.0
175.07500	0.5
175.14737	0.6
176.07932	1.7
176.98940	2.1
179.14365	0.7
189.16386	0.8
197.11745	1.8
199.14735	0.9
205.08737	1.0
206.08043	0.6
207.11302	13.5
217.15869	1.6
219.04982	1.1
225.05513	0.5
225.17133	4.5
235.10902	4.2
235.16931	1.8
243.95128	1.9
253.08711	0.8
253.11984	8.7
253.15921	4.0
253.18073	3.5
254.13971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06987	0.7
53.03944	0.6
55.01879	1.1
55.05520	3.1
56.05040	1.0
56.96574	4.0
57.03434	2.8
57.07069	1.7
60.04559	0.5
61.02933	3.3
65.15398	0.6
65.82602	0.6
67.05489	1.9
67.60920	0.6
69.03436	7.0
69.07079	1.4
70.06592	1.6
70.07819	2.8
71.01356	0.9
71.04983	1.0
72.08156	1.7
73.02916	3.1
73.06562	9.3
79.05476	1.5
81.03429	3.1
81.04520	0.7
81.07065	1.8
82.06564	0.7
84.04529	1.3
84.08149	3.2
85.02911	27.9
85.06548	0.9
86.09715	1.2
86.27149	0.6
87.04485	0.9
87.93302	0.6
91.03938	1.6
91.05482	2.0
93.07065	1.2
93.08154	0.6
94.06551	1.2
95.04973	1.6
95.06094	0.6
95.08628	1.6
97.02892	9.3
98.98473	100.0
99.04465	1.9
99.29570	0.6
100.98891	1.2
101.00867	1.0
103.03983	0.6
104.88863	0.7
105.07041	1.1
109.02903	3.3
109.04118	0.6
110.07175	6.2
111.04485	0.9
112.07608	1.0
114.09180	1.0
116.07104	0.7
116.98719	1.2
116.99517	2.6
119.01908	1.6
120.04437	0.8
120.08100	3.7
120.08832	0.6
122.06056	1.0
122.33965	0.6
123.04478	1.3
123.05542	0.8
124.07549	0.9
127.03924	5.5
128.98625	1.1
130.08693	1.0
131.01924	0.8
134.06026	0.9
136.06303	0.6
136.07576	2.4
136.93164	1.3
137.06006	1.6
137.33458	0.7
138.06352	0.7
139.03983	1.1
141.05492	1.2
141.06802	0.7
142.07494	0.7
143.01900	0.9
145.04976	6.1
149.07098	0.7
150.05504	10.2
151.07547	1.4
152.07005	0.8
152.08160	0.8
154.94191	2.8
155.01971	0.7
155.04649	0.7
158.99614	1.0
159.02991	0.7
161.03098	0.7
163.06075	0.6
164.07019	1.1
172.95287	2.0
174.99239	2.0
176.98979	2.0
182.08209	1.3
185.03003	0.8
187.00272	0.9
187.04655	1.0
189.00877	0.7
190.96364	1.2
194.09244	1.7
195.11372	0.6
197.05989	0.6
197.11803	1.4
200.98466	1.5
207.11420	0.8
218.99554	0.9
219.01889	0.7
225.05949	0.7
229.01546	5.0
235.11688	2.6
247.02623	2.6
253.08574	1.1
253.12543	10.3
253.15717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
57.07073	2.6
57.53868	1.3
58.06592	3.5
59.04999	1.7
67.05511	10.7
69.07075	11.6
71.04987	2.0
71.56082	1.8
72.08148	2.0
73.06556	1.2
74.67248	1.1
79.05500	5.9
81.06727	1.1
81.07070	12.5
83.04977	1.2
83.08620	3.6
85.10168	1.2
91.05470	9.4
91.76807	1.1
93.07052	51.1
94.07352	1.6
95.04956	1.9
95.08616	12.6
95.65534	1.1
97.06548	2.7
97.10143	1.7
98.98475	14.5
99.08105	1.9
104.03484	1.6
105.07061	8.2
107.04964	3.2
107.08604	36.2
109.06547	2.4
109.09468	2.7
109.10172	40.4
111.08099	2.6
112.07618	1.6
114.09174	2.1
115.05428	1.5
117.07001	2.4
119.08571	14.4
120.08115	4.2
121.10143	9.2
123.08057	3.7
123.11723	5.8
125.09628	9.8
126.09124	1.6
128.10727	14.4
133.10136	14.2
135.11707	100.0
136.06169	7.5
137.09642	6.3
139.11154	3.1
145.10144	1.4
147.11658	6.8
149.13274	2.8
151.11186	12.8
154.12317	2.2
159.11694	3.8
161.13159	2.1
163.11192	7.1
163.14903	1.5
165.16418	5.4
175.14821	8.9
189.16397	16.5
192.06651	1.3
193.15906	13.7
200.71645	1.3
206.08195	2.3
207.17458	11.6
210.18573	15.7
217.15848	3.4
222.08502	1.5
235.16908	5.9
236.08423	2.7
252.06953	4.1
252.09753	2.8
252.12167	6.0
252.14204	2.4
252.19604	96.3
253.18092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
55.05515	8.8
59.04989	2.1
67.05508	38.7
69.03426	3.9
69.07067	9.9
70.57813	6.2
71.05000	25.3
79.05496	21.4
81.07066	63.1
83.04980	7.3
87.02124	2.2
91.05484	17.1
93.07045	25.4
95.04990	17.0
95.08620	32.9
97.06540	7.9
98.98477	100.0
98.99129	4.8
99.04472	5.5
105.06372	3.8
105.07039	33.9
107.08601	29.3
108.70757	2.2
109.06531	9.7
109.10168	58.1
109.21474	2.3
111.08070	3.3
113.06017	17.3
115.05455	3.4
117.07030	9.7
118.00345	2.1
119.08598	31.9
121.06504	4.7
121.10165	13.1
123.08124	14.9
125.06013	3.8
131.08600	21.3
133.10158	31.1
135.08063	6.5
135.11719	7.8
137.09608	15.9
141.05443	4.3
141.06917	2.3
143.07042	2.9
143.08636	5.1
145.10159	25.2
147.11726	13.4
149.09650	8.5
149.13280	3.6
151.07541	12.5
151.11237	5.5
155.08575	3.8
157.10129	5.4
158.10867	3.4
159.08069	4.6
159.11777	5.4
161.13239	2.8
163.07538	7.5
163.11188	6.9
163.14867	4.9
165.09164	3.7
171.11725	6.9
173.09663	6.0
173.13266	35.5
174.99297	4.7
175.11209	7.9
175.14915	2.8
177.09120	9.4
183.10184	5.2
187.11276	3.5
187.14885	14.5
189.12758	3.7
189.16429	3.1
191.10719	6.8
191.14301	12.2
193.12236	3.8
197.13274	5.6
205.15939	15.1
215.14334	10.9
233.15398	29.0
251.16330	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05505	10.0
57.03428	3.3
59.04994	6.0
63.52481	2.7
67.05509	15.9
69.03407	3.3
69.07071	16.5
69.84054	14.3
71.04984	12.4
79.05522	15.5
81.07059	34.4
83.04966	15.7
83.08633	5.1
85.06562	6.3
91.05495	23.0
93.07043	24.7
95.04979	5.8
95.08612	44.4
97.06532	12.9
98.98475	75.5
99.04483	19.0
103.05502	3.5
105.07043	56.7
107.04967	32.6
107.08601	37.3
109.06517	13.4
109.10153	14.2
111.04477	3.8
111.08125	7.0
113.09644	4.2
116.06207	2.9
117.07026	9.1
119.08601	26.7
121.06535	17.1
121.10148	13.0
123.08060	7.2
125.09623	6.7
127.07561	2.8
129.06996	4.1
130.07799	3.1
131.08589	64.8
133.06506	4.0
133.10136	23.1
135.08102	9.7
135.11700	7.6
137.09602	7.0
139.07494	6.6
143.08583	7.9
144.09311	3.3
145.06540	3.0
145.10139	49.5
147.08051	25.4
147.11702	33.8
149.05991	5.2
149.09625	55.6
149.13289	4.9
151.11182	5.2
153.09132	7.0
155.08554	4.8
157.10135	10.0
158.10963	3.4
159.11732	7.1
161.13255	6.2
163.11230	8.2
163.14821	5.1
171.11671	5.8
173.09618	15.2
173.13289	51.6
175.11238	9.1
177.09097	5.0
177.16380	4.5
187.14859	31.9
189.12770	15.9
190.13484	7.6
191.10738	26.1
191.14320	79.1
205.15886	31.9
215.14296	18.8
233.15387	100.0
251.10828	4.4
251.16353	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Longipin-2-ene-7beta,9alpha-diol-1-one
Peak:m/z	Relative Intensity
53.03941	1.7
55.05510	3.6
58.85388	1.2
59.22549	1.1
61.99199	1.1
65.03944	1.2
67.05515	8.0
69.07079	2.4
69.97749	3.0
69.98166	3.2
71.59190	1.1
79.05492	22.4
81.07063	53.0
82.07377	1.2
83.04975	2.5
87.27045	1.3
91.05483	8.8
93.07047	12.1
95.04962	5.0
95.08619	6.3
97.02876	1.3
97.06541	1.2
98.98470	45.8
105.07053	12.4
107.04992	1.5
107.08590	7.5
109.06526	20.4
109.10146	2.4
111.08077	3.2
115.05467	2.0
116.35339	1.3
116.99566	1.4
117.07000	1.9
119.08588	7.1
121.06486	6.3
121.10169	2.8
123.08086	6.8
127.07562	19.7
128.06201	1.8
129.06999	3.7
131.08580	11.0
133.06483	1.5
133.10172	9.5
135.08076	4.8
137.09621	2.7
141.06906	2.1
143.08554	4.6
145.06485	1.9
145.10118	11.0
147.11688	3.5
149.09669	2.8
152.06245	3.8
155.08531	6.9
156.09410	1.7
157.10159	5.3
159.11702	6.2
161.13290	2.5
163.11226	2.5
165.06998	11.7
167.08566	4.1
168.09299	1.1
169.10138	3.4
170.18289	1.1
171.11720	4.1
173.09645	4.6
173.13271	11.9
174.99229	1.2
175.11211	4.2
176.06163	1.1
177.07050	3.0
182.10925	7.2
187.11229	9.4
187.14854	3.8
189.12790	3.2
191.10701	1.9
191.14296	12.7
193.06535	3.6
195.07976	2.0
197.13280	26.4
197.15018	1.9
203.14240	1.8
205.06535	6.3
205.15892	2.3
215.14328	100.0
221.06006	3.3
223.07570	20.1
233.05986	1.7
233.15395	13.1
236.08357	2.0
251.07057	27.8
251.10913	5.8
251.12889	1.2
251.16338	8.9
260.77646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Coprinolone
Peak:m/z	Relative Intensity
50.61674	0.9
51.05387	0.8
51.92376	0.8
55.05512	3.7
59.04982	1.3
67.05508	6.7
69.07056	5.2
70.98289	2.1
71.04977	2.2
71.07101	1.0
79.05488	6.1
81.07068	13.2
83.08611	2.5
85.06528	1.3
85.78635	1.0
91.05486	5.4
93.07047	21.5
95.04954	2.7
95.08611	56.9
98.98472	37.2
98.99124	1.9
99.08107	1.3
105.07013	9.5
107.08592	6.0
109.06509	3.2
109.10133	2.6
117.06987	2.9
119.08581	21.3
121.06496	1.1
121.10143	5.5
123.08073	69.2
130.07698	1.1
131.08598	4.8
133.10112	3.8
135.08069	3.5
135.11665	1.4
137.09618	1.5
143.08495	1.3
145.10100	6.6
147.08055	3.5
147.11644	2.4
149.09612	4.8
151.07552	94.9
155.08517	1.7
157.10277	1.3
159.08023	1.2
161.09586	2.9
163.07512	1.9
163.11171	7.7
165.09106	6.0
169.10126	1.2
171.11745	1.3
173.13239	2.5
174.99249	1.3
175.11189	2.1
177.09103	3.2
179.10623	1.0
181.10222	1.0
187.14801	3.5
191.10654	1.7
191.14313	4.3
197.13332	1.2
200.40544	1.0
205.15874	7.9
215.14352	3.5
233.15369	19.8
251.16434	100.0
252.16806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03947	1.6
55.01866	2.7
55.05507	8.6
57.03438	1.9
65.03923	2.5
67.05505	18.9
69.03421	3.7
69.07055	6.2
69.62520	3.6
69.62928	7.9
71.04984	7.1
78.28113	1.7
79.05498	23.3
81.07058	36.4
83.04963	5.4
83.08609	2.3
85.02912	4.4
85.06520	5.6
91.05482	27.8
93.07047	29.2
95.04960	10.1
95.08606	35.3
97.02894	1.8
97.06528	8.6
98.98471	100.0
103.05427	3.1
105.07032	43.8
107.04958	3.6
107.08595	37.5
109.06515	11.8
109.10160	9.0
111.04431	2.0
111.08064	2.6
114.57643	1.6
115.05466	6.0
116.06229	1.8
116.99502	2.5
117.07013	20.7
119.08590	47.9
121.06531	9.4
121.10165	13.0
123.08095	8.5
123.11729	2.0
125.05997	2.8
125.09619	6.3
128.06221	5.4
129.07027	13.3
130.07816	1.9
131.08577	46.8
133.06494	3.7
133.10136	12.2
135.08031	9.8
135.11719	8.3
137.06004	4.0
141.07004	5.7
142.07777	11.2
143.08560	14.2
145.06480	5.0
145.09035	3.3
145.10130	49.8
147.08047	5.6
147.11682	12.8
149.09668	2.3
151.07545	2.4
152.06197	2.3
153.07018	4.0
154.07751	3.9
155.08563	48.8
156.09312	6.4
157.10144	25.9
159.08066	22.7
159.11693	17.1
161.09668	3.8
161.13278	6.1
163.11160	4.0
163.14717	2.0
165.06981	5.2
165.09097	4.3
167.08556	10.4
168.09372	4.3
169.10121	21.2
171.11693	8.7
173.09660	11.3
173.13280	39.8
174.99260	2.1
175.11223	12.2
177.06950	4.6
177.08992	2.2
177.16377	2.4
182.10939	18.3
183.10042	1.7
185.13304	2.6
187.11241	3.5
187.14830	27.6
189.12691	1.8
191.14339	7.1
193.06448	2.7
195.07983	2.5
197.11476	2.6
197.13264	55.2
205.06528	5.6
205.15918	5.6
215.14330	70.3
223.07561	12.8
233.15350	34.0
240.86823	2.2
251.07094	27.4
251.10817	3.1
251.16380	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	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.36049	1.2
55.01859	3.9
55.05504	4.0
57.03421	4.8
67.05511	7.3
69.03417	3.0
69.07052	3.0
70.33036	1.4
70.38116	3.4
71.04996	6.4
74.06120	1.0
79.05515	8.2
81.07053	5.8
83.04980	3.3
85.02913	22.5
87.04461	2.9
91.05482	21.4
93.07063	8.5
95.04965	5.2
95.08604	2.4
97.06511	5.6
98.98473	40.1
99.04447	3.3
101.05949	1.5
103.05466	3.9
105.07037	37.9
107.04944	4.6
107.08589	7.7
109.06500	2.6
109.10133	1.7
113.06009	4.0
115.05437	4.7
116.06243	2.5
117.07022	27.3
119.04903	1.7
119.08600	14.6
121.06499	4.2
121.10148	4.3
128.06216	9.9
129.07008	13.5
130.07834	8.7
131.04906	1.8
131.08582	38.7
133.06488	4.2
133.10152	6.6
135.08035	3.2
137.06001	5.7
137.09676	1.2
141.06985	12.2
142.07761	3.3
143.07494	2.1
143.08562	26.2
144.09331	5.3
145.06488	11.0
145.10135	69.3
146.07208	1.7
146.10466	1.4
147.08075	5.7
149.09605	3.5
151.07632	1.8
152.06161	1.6
153.06956	3.8
154.07791	21.4
155.06058	2.0
155.08522	3.9
157.06563	1.9
157.10118	3.9
158.07263	3.1
159.04414	1.5
159.08076	11.9
159.10442	2.3
159.11699	35.4
161.09613	6.2
163.07527	2.4
163.11177	2.2
165.07048	1.8
167.08546	3.8
169.10139	52.0
171.08084	6.4
171.11742	1.4
172.08820	3.5
173.05969	2.1
173.09627	24.5
173.13135	2.0
175.07503	1.8
175.11195	4.2
176.18379	1.4
177.05539	1.2
177.06984	2.0
179.08583	3.0
187.11194	100.0
187.14755	3.6
189.09087	1.8
190.07797	1.5
191.08557	3.2
191.10698	1.3
197.09650	7.4
201.09044	4.0
205.06665	2.1
205.12247	43.4
206.12573	1.5
207.07993	1.8
208.08926	2.5
215.10686	48.7
215.14301	3.5
219.10175	1.9
220.08960	1.4
223.07452	2.6
233.11755	18.6
233.15388	4.4
234.12083	3.1
236.08325	12.7
251.07014	5.3
251.10645	7.9
251.12775	40.3
251.16380	5.2
273.39819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1393
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
55.05516	0.7
56.96546	0.4
57.03458	0.4
67.05509	0.8
69.03400	0.7
69.07078	0.5
70.06607	0.6
70.38134	1.0
71.04998	0.6
72.08159	17.9
72.68411	0.3
79.05501	1.6
81.03432	0.4
81.07063	1.5
83.04982	0.4
83.08601	0.3
85.02921	1.2
89.03922	3.1
89.10798	11.3
89.11353	0.7
90.53703	0.3
91.05485	1.5
93.07069	1.2
94.06643	0.4
95.04985	0.9
95.08611	1.2
97.02908	1.2
97.06592	0.5
98.06062	0.5
98.98472	100.0
99.04483	0.6
103.05501	0.5
104.82491	0.3
105.07037	2.8
107.04945	1.7
107.08606	1.1
109.10130	0.3
112.35201	0.4
115.08726	0.5
116.99500	2.8
117.03387	4.5
117.07046	0.7
119.08591	0.8
121.06535	0.8
123.04478	0.4
123.08076	0.3
125.09646	0.4
131.04984	0.3
131.08566	1.1
133.06506	0.3
133.10149	0.5
135.04427	10.8
135.08063	0.6
135.11717	0.3
136.06189	1.4
137.05867	0.9
137.06705	0.5
139.03943	0.3
140.01105	0.4
145.02852	8.6
145.06476	0.9
145.10129	1.3
147.08018	0.4
147.11743	0.4
149.05962	0.7
149.09569	0.4
151.07533	0.7
152.04688	0.3
153.09108	0.3
155.08580	0.4
157.10109	0.4
159.08095	0.4
159.11659	0.9
163.03915	61.4
163.07559	1.2
164.04205	0.4
164.07022	0.3
173.09610	0.4
173.13243	0.4
174.99240	3.3
175.07593	0.4
175.11203	0.5
176.07066	0.9
177.05513	0.4
177.09166	0.4
178.08136	0.7
183.96870	0.4
187.14859	0.7
191.07072	0.4
191.10666	0.7
191.14285	0.4
192.10243	0.4
194.97435	0.3
197.13322	0.4
205.10458	0.6
207.12114	2.3
215.10748	0.4
215.14322	0.7
233.07985	0.6
233.13287	0.6
233.15358	1.4
234.09052	0.6
234.11253	8.8
251.04854	0.4
251.10017	0.8
251.13979	15.3
251.16364	1.0
251.19922	0.4
252.12289	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	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
50.01599	1.0
53.03954	1.8
55.01868	1.4
55.05518	3.6
57.03431	2.5
59.05004	6.5
67.05516	6.4
68.99811	1.3
69.03432	3.4
69.07063	4.0
71.04996	2.6
71.56766	1.3
77.01572	1.3
79.05493	9.5
81.03429	1.2
81.07059	10.0
83.04971	2.9
83.08616	1.6
85.02922	1.6
85.06541	2.0
91.05491	12.0
93.07044	9.0
95.04969	4.7
95.08607	6.9
97.02785	1.6
97.06528	2.5
98.98471	100.0
99.04449	1.7
103.05463	2.8
105.07036	19.8
107.04962	6.6
107.08589	12.0
109.06511	3.7
109.10162	4.0
111.08095	1.4
113.05906	1.1
115.05450	9.8
116.06229	2.2
116.99487	1.9
117.07024	20.7
119.04900	1.3
119.08584	9.8
121.06474	6.7
121.10135	5.8
123.08085	2.6
125.09583	1.5
128.06219	11.9
129.07013	18.1
130.07802	11.7
131.04936	3.3
131.08566	13.5
132.05733	2.2
133.06468	5.3
133.10136	6.3
135.08072	4.9
135.11673	2.0
137.05954	1.9
137.09612	2.7
140.37718	1.3
141.07005	17.5
142.07834	2.8
143.04909	1.8
143.08574	23.7
144.04715	1.4
144.05742	13.8
144.09314	1.5
145.06483	38.6
145.10132	26.5
146.07309	2.0
147.08046	5.2
147.11705	4.2
149.09627	4.6
151.11191	1.3
152.06172	7.8
153.05475	1.7
153.06999	3.7
154.07736	3.0
155.06033	4.0
155.08575	13.0
156.09338	1.5
157.06532	7.5
157.10176	6.8
158.07288	49.3
159.04483	1.6
159.08076	10.0
159.11671	6.7
161.05988	3.3
161.09624	5.5
161.13257	2.5
163.07558	3.3
163.11220	4.1
165.07001	27.5
166.07608	1.4
167.07086	3.3
167.08592	6.6
168.05801	1.3
169.06406	7.8
169.07729	1.9
169.10101	1.7
171.08029	4.4
171.11668	2.4
172.05196	4.9
172.08862	4.1
173.05978	5.0
173.09631	61.9
173.13245	4.0
174.06706	2.2
174.99232	3.6
175.07564	9.6
175.11191	6.4
175.14993	1.2
176.04691	1.4
176.06236	3.2
177.05498	3.0
177.07014	12.8
177.09096	1.8
177.12756	2.2
178.07726	1.4
181.06470	1.6
181.08630	5.6
182.10939	1.9
183.09148	3.0
186.06749	6.1
187.07451	1.4
187.11214	2.4
187.14861	4.1
189.09097	11.3
191.07022	5.5
191.08623	3.0
191.10686	3.5
191.14302	4.3
192.07753	2.1
193.06532	12.1
193.08420	1.7
193.12219	1.5
194.07217	1.8
195.08067	6.9
195.10017	1.3
197.13274	5.1
200.08336	3.0
201.09117	67.5
203.07057	4.7
203.14389	1.7
203.81828	1.5
205.06499	19.3
205.08617	4.5
205.12234	2.1
205.15901	3.5
206.09430	7.7
207.08383	1.4
207.10143	6.7
215.14334	7.7
218.09386	4.3
219.08243	1.8
219.10213	3.4
221.06029	7.1
221.11757	13.0
221.15263	1.3
222.06839	1.3
223.07547	46.0
223.10957	2.0
224.07997	1.3
233.06230	5.9
233.11742	78.8
233.15256	13.3
236.08371	4.4
251.07039	80.9
251.12851	20.3
251.16264	11.1
251.20242	1.3
252.07626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1441
Annotation	1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone
Peak:m/z	Relative Intensity
51.22595	0.3
70.06606	0.4
70.94543	1.0
82.06574	1.2
84.08145	1.0
91.05488	7.5
95.04971	1.8
98.98478	5.6
100.07610	3.3
110.89558	0.4
112.07620	0.4
112.89262	0.3
119.04958	7.1
127.03864	0.4
131.08557	0.3
136.05182	0.7
137.05992	0.6
151.07556	35.6
159.08063	0.7
161.06012	0.5
162.09102	0.4
163.07500	0.4
164.07040	0.3
176.07089	0.8
177.07864	1.8
177.09195	0.4
178.08507	0.5
183.08115	0.4
189.07817	6.5
190.08627	1.5
202.84409	0.3
204.10225	28.3
205.10568	0.3
206.11768	7.6
217.07629	0.4
217.11037	3.2
230.11780	1.7
232.13347	17.2
235.08429	2.1
235.12134	0.9
239.82692	0.4
250.10796	6.5
250.14403	100.0
251.14760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05510	9.8
57.07064	2.4
59.04969	1.6
59.30714	1.1
59.50911	1.0
67.05503	10.6
69.07069	17.6
71.04984	2.9
79.05490	11.0
81.07066	19.6
83.04955	1.7
83.08604	4.8
85.06537	2.3
91.05476	13.9
93.07045	19.0
95.04958	3.4
95.08607	24.7
95.09209	0.9
97.06499	1.6
97.10143	2.6
103.16116	1.3
105.07029	30.3
107.08599	27.2
109.06487	5.9
109.10171	7.9
111.08062	1.9
115.05564	1.2
117.07026	8.9
119.08581	47.6
121.06483	2.1
121.10149	11.5
123.08057	3.9
123.11684	4.4
125.09614	2.9
129.06992	3.9
131.08597	10.7
133.10133	27.6
135.08057	5.3
135.11659	11.0
137.09595	2.9
142.07777	1.9
143.08589	8.6
145.10123	18.7
147.08038	3.5
147.11694	18.2
149.09605	4.8
149.13258	4.4
151.07585	2.2
151.11176	2.3
153.09102	4.8
156.09354	1.8
157.10147	13.4
159.11681	10.4
161.09627	7.2
161.13242	15.2
163.11208	1.5
163.14841	2.7
165.09102	2.6
167.10710	1.2
171.11705	8.4
173.09689	2.4
173.13268	33.1
175.07565	1.5
175.11183	5.5
179.10603	2.3
185.13286	6.0
187.14816	35.3
189.12720	4.3
189.16380	48.7
190.66647	1.3
191.10727	2.0
193.12296	3.8
195.11743	1.5
203.14299	5.0
203.17957	4.5
207.11794	1.3
207.13768	1.8
207.17400	8.6
213.12851	1.5
213.16376	15.2
231.14008	8.1
231.17427	44.6
249.11186	2.4
249.14680	7.7
249.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03949	4.2
55.05501	11.0
61.99741	2.4
67.05489	8.9
69.03419	8.3
69.07076	3.6
69.17192	2.7
69.92906	9.5
71.04985	2.9
77.25541	2.5
78.72773	2.4
79.05508	17.1
81.07063	32.2
91.05486	97.6
93.07048	23.6
95.04957	5.7
95.08633	18.8
103.05478	4.6
105.07036	100.0
107.08602	18.1
109.02904	3.7
109.06489	4.9
109.10149	8.3
115.05441	11.1
117.07030	24.4
119.04887	4.1
119.08585	33.8
120.08952	2.6
121.06492	8.6
121.10159	5.6
123.08012	3.1
128.06215	11.9
129.06989	22.6
131.08566	34.1
131.60623	2.6
133.06467	4.8
133.10132	86.5
135.08006	5.0
137.05952	2.9
137.54433	2.7
141.06999	9.2
142.07790	17.3
143.08577	39.6
145.06482	4.3
145.10130	29.0
147.08072	26.2
147.11641	5.2
151.07578	5.0
155.08557	6.9
156.09332	3.9
157.06497	7.1
157.10150	29.7
159.08086	10.0
159.11708	14.3
161.09636	73.0
163.07573	5.4
165.06969	4.8
169.10185	3.4
170.10931	3.2
171.08025	6.6
171.11694	7.3
173.09596	8.2
175.07544	11.6
175.11147	5.3
175.14859	6.9
177.09103	3.4
180.09377	4.9
185.13268	39.6
187.07539	2.9
187.11179	2.9
187.14900	5.1
189.09108	6.3
189.12717	5.0
195.11783	14.1
203.14417	12.2
213.12785	13.1
217.12250	3.1
231.13876	28.1
249.11267	13.4
249.14903	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	Parthenolide
Peak:m/z	Relative Intensity
55.05501	5.9
55.15763	3.7
59.65439	3.9
65.50395	4.6
66.76474	3.9
67.05512	10.7
69.03437	4.0
69.07072	9.7
70.59132	6.9
70.59501	7.8
71.04993	5.5
78.19547	4.3
79.05512	9.7
81.07054	18.7
83.05004	6.5
91.05486	41.6
93.07053	37.4
95.08611	25.9
98.17097	3.6
103.05493	6.6
105.07037	66.0
106.51430	3.7
107.04951	4.7
107.08608	27.4
109.06523	4.7
109.10184	7.1
111.08089	8.1
115.05474	5.6
116.06269	5.0
117.07044	25.2
119.04945	9.8
119.08589	59.7
121.06514	14.0
121.10139	10.6
123.08093	7.5
126.27080	3.9
128.06219	12.5
129.07031	31.3
130.07788	10.3
131.08591	35.9
133.06476	8.7
133.10147	25.0
135.08080	10.8
137.05978	7.2
141.07034	8.0
142.07806	9.6
143.08583	38.0
145.06461	5.3
145.10136	100.0
147.08055	25.9
147.11684	12.6
151.07616	9.8
154.07666	3.9
155.08612	6.1
156.09340	6.2
157.06520	12.7
157.10132	25.1
159.08083	16.1
159.11725	22.7
161.09654	22.0
161.13261	16.0
163.11183	4.8
165.07010	6.4
165.09174	6.0
169.10078	5.4
170.07253	5.1
170.10927	8.5
171.08055	11.9
171.11743	21.0
173.09641	83.2
175.07568	12.4
175.11209	5.9
179.10832	4.8
180.09431	8.4
185.13283	58.1
187.07567	8.1
187.11353	5.2
187.14839	4.6
189.09064	9.7
189.12793	20.7
191.10690	18.6
193.08667	7.4
195.11711	26.6
203.14340	38.1
204.07921	8.2
207.13844	4.7
213.12750	38.2
217.12204	9.4
218.98808	3.7
231.10201	6.8
231.13837	90.8
249.08908	2.8
249.11272	58.4
249.14905	77.5
249.18660	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	249.1487
Annotation	Quadrone
Peak:m/z	Relative Intensity
53.03932	2.7
55.05506	4.8
67.05506	8.9
68.21500	1.9
69.03461	2.7
69.07066	3.7
69.94444	8.4
79.05499	13.3
81.03389	2.1
81.07068	49.5
83.05036	1.8
91.05489	14.2
93.07062	15.0
95.04977	4.7
95.08622	23.5
105.07052	29.5
107.08610	18.0
109.02913	4.2
109.06509	8.8
109.10172	6.1
115.05431	2.3
117.07036	7.2
119.08591	19.3
121.06534	5.2
121.10146	9.1
123.04443	2.2
123.08054	3.0
128.06239	5.6
129.06999	9.8
129.25916	2.0
130.07831	3.0
131.08577	15.7
133.06483	3.2
133.10133	8.4
135.11646	2.5
141.06996	3.0
142.07811	5.5
143.08588	18.3
145.10147	12.0
146.10887	2.9
147.08049	7.1
151.07549	4.8
155.08617	3.0
156.09381	3.1
157.06487	5.2
157.10136	16.3
159.08105	4.4
159.11710	12.8
161.06166	2.5
161.09604	8.6
165.07014	2.7
170.10938	3.3
171.08069	4.7
171.11682	2.6
173.09584	3.4
175.07565	10.5
175.11266	4.8
175.14818	6.4
180.09389	2.5
185.13277	28.5
189.09050	5.0
189.12804	3.5
195.11771	6.7
203.10619	3.4
203.14349	17.4
213.12775	13.2
231.13831	100.0
249.11284	8.4
249.14847	17.1
249.18633	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	249.1488
Annotation	Quadrone
Peak:m/z	Relative Intensity
53.03946	4.1
55.01878	3.4
55.05510	8.6
57.07075	2.7
59.04980	2.9
65.03958	4.8
67.05513	19.8
69.03423	5.3
69.07064	10.4
70.39380	6.3
71.04992	7.1
77.03925	3.3
78.13292	2.5
79.05505	20.6
81.07063	45.4
83.04990	6.0
84.71792	2.3
91.05487	41.6
93.07066	30.8
95.04975	11.9
95.08624	21.9
97.06538	5.1
103.05447	4.6
105.07043	63.7
107.04955	6.8
107.08620	19.2
109.06540	9.6
109.10183	17.1
111.08105	2.5
115.05455	8.3
117.07015	23.1
119.04980	3.4
119.08573	39.8
121.06514	11.0
121.10152	12.0
123.04438	6.3
123.08088	5.6
125.06008	3.9
128.06233	21.7
129.07021	37.0
130.07803	4.0
131.08588	51.3
133.06500	7.3
133.10129	19.8
135.08095	7.3
137.09601	2.9
141.07007	8.8
142.07813	15.3
143.08577	66.7
144.05695	6.5
144.09331	7.9
145.06506	7.2
145.10141	47.0
146.10880	7.2
147.08063	28.6
147.11690	16.0
149.06013	5.2
151.07605	7.9
153.07036	3.4
155.08562	15.2
156.09377	6.6
157.06514	14.3
157.10152	36.5
159.01851	2.5
159.08096	15.0
159.11696	25.7
161.06026	5.9
161.09634	21.4
161.13252	15.9
163.07527	6.3
165.07008	8.4
165.09085	3.8
169.10083	3.8
170.07326	2.6
170.10968	9.7
171.08109	13.7
171.11714	8.0
172.08858	2.9
173.09653	4.8
173.13249	7.4
175.07526	13.2
175.11263	6.6
175.14870	9.6
177.09172	4.6
180.09421	6.2
183.11700	7.9
185.13281	100.0
187.07553	6.9
187.11240	4.2
187.14883	3.1
189.09125	16.5
189.12770	17.5
191.10733	6.5
195.11684	16.0
198.10475	3.6
203.10739	4.8
203.14348	56.8
204.07780	4.0
207.10155	3.6
207.13872	4.0
213.12755	44.1
217.22133	3.0
221.15370	3.1
231.10199	6.0
231.13815	97.2
235.81158	2.9
249.11197	38.0
249.14870	41.8
249.18666	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	249.1487
Annotation	Parthenolide
Peak:m/z	Relative Intensity
55.01867	3.1
55.05531	6.4
67.05503	8.2
69.03426	3.6
69.07054	5.3
69.91924	6.4
69.92313	5.2
73.02900	2.5
74.90470	2.7
77.57792	2.2
79.05492	14.4
81.07063	20.8
91.05494	44.8
93.07047	24.3
95.08614	21.2
95.65473	2.3
103.05469	2.6
105.07040	52.4
107.08601	9.6
109.06530	5.7
109.10177	4.0
111.08085	4.0
115.05461	4.9
117.07023	29.1
119.08597	87.1
121.06491	12.1
121.10160	3.9
123.08055	4.7
128.06238	9.2
129.07014	23.5
130.07803	6.3
131.08592	28.8
133.06508	6.4
133.10152	14.3
135.08113	3.4
139.07544	4.1
142.07805	10.5
143.08583	36.2
144.09290	5.8
145.10129	73.0
147.08063	41.6
151.07614	4.4
155.08571	14.6
156.09387	4.1
157.06505	20.2
157.08966	2.7
157.10141	32.6
159.08047	5.2
159.11716	51.0
161.09645	7.3
161.13326	11.6
165.07001	12.8
165.09102	6.6
167.08464	2.5
169.10114	4.4
170.10960	5.4
170.92667	2.6
171.08023	8.1
171.11728	7.5
173.09619	9.6
175.07585	22.0
175.14833	9.6
180.09415	14.7
185.09680	2.7
185.13284	75.0
187.14864	7.2
189.09065	6.8
189.12729	14.1
191.10689	5.5
193.08640	19.9
193.56342	2.9
195.11723	58.5
203.14346	24.4
213.12752	27.9
231.13820	49.4
249.11305	4.9
249.14894	100.0
250.14651	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	249.1486
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.85241	2.3
55.05498	6.5
65.03959	2.6
67.05497	12.4
67.47363	2.1
69.07060	6.5
71.04997	3.2
71.46239	4.5
73.58077	2.1
79.05495	14.7
81.07059	19.7
83.04985	6.1
91.05476	27.4
93.07042	20.0
95.04955	8.1
95.08591	15.2
103.05442	2.7
105.07027	29.7
107.04978	4.0
107.08605	14.4
109.06497	7.0
114.39098	2.4
115.05457	3.5
117.06988	12.2
119.08594	28.8
121.06452	5.5
121.10140	13.0
123.08099	4.6
128.06204	10.5
129.07004	19.6
131.08566	42.5
133.10104	14.5
135.04422	2.4
135.07994	4.0
141.07040	4.6
142.07713	5.6
143.08557	33.3
144.09253	3.3
145.10118	51.2
147.07999	8.1
147.11661	8.3
149.06006	3.2
149.09590	4.6
151.07603	3.6
155.08618	3.1
157.06459	2.4
157.10115	25.0
159.11687	21.5
161.05937	3.4
161.09656	8.2
161.13258	4.1
165.06969	2.6
170.11002	4.2
171.08041	3.9
171.11736	4.8
173.09637	5.7
175.07581	9.2
175.11218	5.1
175.14809	10.2
177.12764	3.0
185.09708	3.5
185.13269	63.6
187.11156	2.8
187.14827	14.9
189.09117	4.7
189.12816	3.6
191.10689	18.7
195.11668	6.7
203.10651	2.9
203.14310	31.0
213.12773	23.7
231.13817	100.0
249.11278	6.6
249.14830	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	249.1487
Annotation	Quadrone
Peak:m/z	Relative Intensity
53.03935	2.7
55.02849	2.2
55.05499	7.4
61.39100	2.2
67.05513	11.9
69.03407	2.6
69.07053	6.8
70.97320	5.0
71.04970	3.7
79.05501	15.1
81.07063	23.1
83.04976	2.3
85.06519	4.4
91.05479	22.5
93.07025	18.7
95.04940	7.2
95.08601	13.7
97.06519	6.9
105.06319	2.9
105.07031	39.6
107.08611	15.0
109.02900	4.1
109.06508	9.6
109.10154	6.5
115.05446	3.9
117.07031	15.5
117.07719	2.9
119.08584	29.9
121.06513	7.8
121.10139	9.5
123.04392	2.4
123.08062	4.8
128.06227	10.1
129.06978	17.0
130.07709	4.3
131.08580	20.8
133.06520	3.7
133.10129	13.4
135.08031	4.8
142.07758	9.1
143.08575	29.2
144.09348	4.2
145.10135	42.9
147.08086	10.9
147.11670	9.4
149.06000	3.2
149.09605	5.2
151.07513	4.6
155.08505	6.3
156.09351	5.4
157.06471	3.8
157.10130	18.7
159.08086	6.7
159.11710	21.1
161.06021	3.9
161.09641	13.1
161.13263	9.1
163.07561	3.3
163.11172	3.4
169.10152	2.5
170.10945	6.0
171.08009	6.5
171.11662	10.9
173.09644	15.0
175.07581	12.3
175.11163	6.2
175.14781	6.2
177.12561	2.5
180.09306	3.0
185.13275	48.5
187.11162	3.6
187.14859	2.9
189.09116	4.9
189.12770	16.5
191.10649	8.9
195.11679	8.2
203.14291	33.5
213.12785	18.3
216.65231	2.4
225.42650	2.6
231.13815	100.0
249.11191	8.6
249.14871	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
51.02824	0.9
55.01879	1.5
55.05508	3.2
57.03446	1.8
58.97701	1.0
65.03956	1.1
67.05502	4.7
69.03437	1.3
69.07053	3.1
70.20723	4.4
79.05494	5.9
81.03397	1.6
81.07065	9.6
83.04990	2.3
85.06540	1.9
89.06658	0.9
91.04984	1.4
91.05495	17.1
93.07052	7.9
95.04970	2.9
95.08627	6.1
97.06519	1.8
103.05495	3.1
105.06380	1.8
105.07047	24.3
105.07753	1.2
107.04971	3.3
107.08598	5.2
109.02897	1.2
109.06543	1.8
109.10170	2.9
111.08131	1.2
115.05457	5.7
116.06197	4.6
117.07027	9.7
119.04964	1.5
119.08593	11.4
121.06507	3.9
121.10165	3.3
123.04416	2.4
123.08067	1.8
128.06248	13.5
129.07019	28.4
130.07802	2.4
131.04936	1.5
131.08577	28.4
132.05682	1.9
133.06506	6.6
133.10132	8.8
135.08061	2.7
135.11710	2.4
137.06000	2.2
141.06992	13.0
142.07794	9.1
143.04959	1.3
143.08572	23.7
144.05713	10.8
145.06477	8.4
145.10136	16.9
146.07269	2.9
147.08072	6.0
147.11739	5.8
149.05980	2.2
151.07652	1.8
152.06172	1.5
153.06990	2.7
155.06056	2.2
155.08586	2.6
156.05711	1.7
156.09325	2.3
157.06500	13.2
157.10139	9.9
158.07266	3.3
159.08080	30.8
159.11691	11.3
161.06042	4.6
161.09613	11.6
161.13235	6.4
165.06972	1.1
167.07094	1.6
169.06401	1.7
169.07617	3.3
169.10104	1.1
170.07271	7.3
170.10922	3.2
171.04466	1.6
171.08028	8.9
171.11702	12.2
172.05200	4.1
173.05975	4.8
173.09683	6.2
174.06790	2.9
175.07542	7.3
175.11264	1.8
175.14748	1.9
178.06343	1.1
180.09364	1.5
185.13283	25.4
186.06798	1.2
187.07553	22.0
188.08234	1.2
189.05495	2.7
189.09117	11.8
189.12767	9.2
191.07141	1.3
191.10767	1.9
195.11668	5.3
198.06783	2.4
199.07558	3.4
201.05472	1.6
203.07147	5.5
203.10614	2.8
203.14349	16.6
204.07802	12.1
205.08577	2.4
206.09479	1.5
210.51115	1.0
213.12782	10.5
216.07846	5.1
218.09317	1.5
219.10208	2.0
221.11691	3.5
231.10283	7.6
231.13811	27.4
233.11795	1.1
234.08864	1.4
249.11246	100.0
249.14877	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	249.1484
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03947	7.4
55.01875	8.9
55.05506	12.8
57.11691	2.0
65.03934	4.4
67.05505	32.1
69.03429	8.8
69.07059	13.9
71.04996	5.5
71.55880	2.9
73.02891	2.6
76.24506	2.3
79.05502	33.5
81.03430	13.1
81.07062	47.0
83.04973	8.7
83.08602	4.0
85.02912	4.7
85.06542	3.2
91.05482	82.8
91.63134	2.1
93.07042	55.0
95.04967	18.1
95.08611	47.2
97.06540	9.2
102.69373	2.3
103.05476	10.1
105.07037	100.0
107.04974	10.5
107.08592	40.2
109.02879	22.4
109.06507	12.6
109.10159	20.2
111.04459	2.9
111.08092	2.7
115.05452	11.1
116.06267	4.4
117.07027	39.7
119.04953	5.6
119.08586	79.8
120.08875	3.4
121.06503	15.0
121.10149	43.5
121.61118	2.2
123.04435	27.4
123.08056	6.6
125.05994	3.4
125.09583	3.7
127.03884	2.5
128.06229	28.3
129.07004	61.7
130.07771	7.3
131.04973	3.7
131.08577	62.3
133.06512	15.4
133.10127	40.0
135.08037	8.2
135.10754	2.6
135.11719	9.1
137.05981	9.7
139.11160	3.3
141.07010	9.9
142.07771	20.6
143.08565	76.2
144.05727	7.8
145.06496	12.2
145.10136	61.5
146.07288	5.6
147.08072	20.0
147.11687	52.1
148.12001	4.3
149.05998	9.5
149.09604	3.5
151.07542	10.7
153.06953	3.9
155.08574	9.4
156.05736	3.1
156.09384	16.6
157.06488	9.7
157.10138	50.6
158.07304	3.7
159.08084	18.6
159.11703	45.5
161.05986	16.4
161.09631	38.2
161.13245	32.9
163.07533	8.7
165.07034	10.3
165.12813	2.4
167.08585	3.0
169.07657	2.9
169.10091	3.0
170.07318	4.9
170.10941	15.4
171.04401	3.2
171.08089	14.5
171.11697	77.3
173.05995	3.8
173.09641	12.2
173.10907	3.5
174.11565	29.6
175.07556	25.6
175.11191	8.9
175.12480	3.9
175.14865	10.1
177.09067	3.0
178.07729	3.1
180.09297	5.2
183.11690	3.4
185.09622	4.5
185.13266	95.5
186.13629	3.6
187.07550	14.5
187.10985	4.3
187.14842	3.5
188.13098	4.8
189.07587	2.2
189.09161	14.7
189.12741	68.8
191.07079	2.8
191.10692	7.0
195.11752	16.0
198.10487	2.7
203.10757	6.7
203.14249	29.2
203.15578	28.1
204.07854	10.2
205.06477	2.4
205.12227	4.3
207.13837	5.6
213.12778	35.8
231.10074	8.1
231.13550	81.3
236.24438	2.2
249.05640	2.7
249.09068	5.3
249.11230	76.0
249.15068	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
55.01873	2.1
55.05508	4.9
67.05511	5.9
67.99883	1.8
69.03425	3.7
69.07069	5.5
71.50983	3.7
74.83238	1.6
75.86177	1.7
79.05510	10.6
81.07072	14.3
83.01353	21.1
83.04988	2.4
85.02917	4.4
91.05486	25.1
93.07042	16.3
95.04980	4.6
95.08617	11.1
97.06506	2.9
101.02396	8.0
103.05472	3.4
105.07046	30.7
107.04945	3.7
107.08627	14.4
109.06493	5.3
109.10194	3.9
111.04438	2.0
115.05459	8.0
116.06250	3.5
117.07040	15.5
119.04962	2.4
119.08593	18.1
121.06506	7.3
121.10144	7.1
123.04484	3.3
128.06209	20.7
129.07002	33.2
130.07794	4.5
131.04948	3.3
131.08582	35.2
132.05692	2.2
133.06537	6.1
133.10150	13.2
135.04350	3.3
135.11740	2.0
137.05997	5.1
141.06985	10.7
142.07808	12.4
143.08580	29.3
144.05717	10.3
145.06500	7.3
145.10123	22.0
146.07314	3.9
147.08051	9.3
147.11693	7.2
149.05972	2.5
149.09608	2.8
149.13283	18.4
151.07523	3.5
153.06932	2.7
155.06117	2.5
155.08601	4.0
156.09348	3.7
157.06506	14.3
157.10130	19.2
157.36183	1.9
158.07298	4.0
159.08075	27.0
159.11720	13.6
161.06049	5.1
161.09639	13.8
161.13274	9.9
163.11133	2.5
165.07040	3.4
165.08955	2.0
169.07693	2.8
169.10094	2.2
170.07274	9.4
170.10899	3.7
171.08054	13.0
171.11681	5.9
172.05186	4.6
173.05980	4.5
173.09615	7.5
175.07533	10.3
175.11174	3.1
185.09665	5.4
185.13278	36.2
187.07544	20.0
187.11235	2.3
187.22777	1.9
189.05522	2.7
189.09125	12.1
189.12775	6.9
193.08656	2.3
195.11723	6.1
198.06836	2.3
203.07048	5.5
203.10712	2.6
203.14337	17.8
204.07835	12.3
213.12773	16.4
216.07829	4.9
221.11710	4.6
231.10457	9.1
231.13821	73.0
233.45731	2.1
249.11250	100.0
249.14882	24.2
268.18420	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59413	0.6
54.06560	0.6
66.98335	0.6
69.03424	0.9
71.20722	1.4
72.04521	21.1
73.04258	0.6
79.05498	1.3
80.12724	0.7
81.07027	1.1
85.02938	0.7
91.05482	2.7
93.07033	1.6
95.08618	1.3
104.21898	0.7
105.07030	3.0
107.99408	0.7
114.09183	0.9
115.05441	2.8
117.05756	3.8
117.07046	3.8
118.05045	23.7
118.06541	39.7
119.08571	1.9
121.10140	1.1
127.04027	0.7
128.06184	1.2
129.06989	1.1
130.06544	2.2
131.08588	1.8
132.08099	86.4
133.06511	0.9
133.08493	0.7
135.08105	0.7
142.06526	3.3
142.07684	1.1
143.07292	4.2
143.08537	2.0
144.04488	0.7
144.05721	0.9
144.06999	1.2
144.08098	19.6
145.06523	1.0
145.10184	1.9
146.06021	85.6
147.06409	0.8
147.07962	0.7
157.10135	2.3
158.08391	1.3
159.08098	1.2
159.09308	0.8
159.11693	1.3
160.07584	1.4
161.09583	1.0
170.06032	6.8
171.08032	1.0
171.11737	0.7
172.07579	6.4
178.08534	0.7
185.07143	1.7
185.09589	0.7
185.13304	2.2
187.07587	0.8
188.07083	100.0
189.07448	1.4
189.09146	1.0
189.12810	1.1
195.11711	0.8
203.11891	4.9
213.12836	0.8
231.10220	0.8
231.13837	2.8
232.09650	5.9
249.09045	0.8
249.12540	15.3
249.14978	2.5
249.18300	0.7
250.14745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
65.26979	0.5
69.03430	0.8
70.86584	0.8
70.86923	1.1
73.97318	0.5
91.05483	6.8
101.37132	0.5
103.05481	1.5
105.07045	3.4
107.04934	1.7
115.05457	5.4
116.06257	3.4
117.07044	3.2
121.06509	0.6
128.06232	9.5
128.22620	0.6
129.07013	19.8
130.07822	1.2
131.04938	1.8
131.08582	18.0
132.05725	0.9
133.06476	2.0
133.10146	1.4
141.06976	8.0
142.07822	2.9
143.04919	0.9
143.08598	3.3
144.05710	8.7
145.06485	5.4
146.07295	2.9
147.04408	1.1
147.08081	0.8
152.06235	1.1
153.06944	1.1
155.06067	1.6
156.05721	2.0
157.06511	7.8
158.07242	2.2
159.04459	0.7
159.08069	27.8
160.05215	1.0
160.08733	0.5
161.05974	3.1
161.09639	6.2
167.07088	0.7
169.06429	1.8
169.07663	2.7
170.07266	7.2
171.04422	1.0
171.08040	5.9
172.05179	3.3
173.05962	3.2
174.06804	2.6
175.07590	3.2
178.06157	0.7
186.06815	0.8
187.07562	19.0
188.08304	1.2
189.05498	2.5
189.09137	8.3
190.06293	1.2
191.07085	1.2
192.07922	0.7
198.06767	1.9
199.07547	3.1
201.05519	1.8
203.07063	5.7
204.07841	14.4
205.08641	2.5
206.09370	0.6
216.07848	3.4
218.09392	1.0
219.10156	1.8
221.11725	3.1
223.53514	0.5
231.10172	6.9
234.08994	1.2
249.11246	100.0
250.11555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.92754	0.4
55.01860	1.2
55.05503	0.7
55.39515	0.5
57.03430	0.5
58.44188	0.4
66.81684	0.4
67.05508	1.8
69.03428	1.7
69.07061	1.2
70.01654	1.5
70.02073	0.8
71.04984	0.8
71.43281	0.4
71.52926	0.5
79.05476	2.3
81.03433	0.8
81.07075	2.3
83.04984	0.5
85.06583	0.5
91.05486	7.3
93.07032	2.3
95.04977	1.5
95.08588	1.8
97.02811	0.4
97.06510	0.4
98.20721	0.5
99.04443	1.2
103.05483	1.1
105.07023	5.8
107.04944	1.9
107.08592	2.0
109.06490	0.9
109.10118	0.6
115.05455	5.6
116.06264	4.0
117.07027	4.2
119.04929	0.5
119.08568	2.6
121.06539	1.5
121.10114	1.3
123.08103	1.0
127.05443	0.7
128.06226	10.2
129.07014	21.5
130.07780	1.0
131.04926	2.4
131.08578	19.1
132.05678	0.7
133.06526	3.7
133.10127	3.7
135.08061	1.1
135.11676	0.5
141.05965	0.8
141.06996	10.6
142.07813	3.9
143.04942	0.7
143.08577	5.7
144.05713	10.3
145.06494	5.5
145.10139	2.2
146.07295	3.0
147.04410	1.7
147.08041	2.0
147.11679	1.3
149.09641	0.7
151.07535	0.8
152.06215	1.8
153.07002	2.3
155.04922	0.6
155.06030	2.0
155.08511	0.7
156.05707	1.9
156.09340	0.8
157.06506	9.9
157.10089	2.0
158.07277	3.0
159.04449	0.7
159.08063	28.1
159.11690	2.3
160.05186	1.6
160.08786	0.6
161.05997	4.0
161.09630	8.2
161.13252	0.7
163.07503	0.6
163.11191	0.9
165.07079	0.8
167.07048	1.3
169.06438	1.8
169.07669	2.9
170.07275	8.5
171.04436	1.7
171.08044	6.7
171.11719	1.2
172.05205	3.7
173.06013	4.1
173.09598	1.2
174.06815	2.7
175.07582	3.3
175.11203	1.1
178.06241	1.4
183.11658	0.5
184.05188	0.9
185.06007	1.0
185.09615	0.7
185.13268	1.8
186.06792	0.7
187.07547	16.3
188.08313	1.3
189.05460	3.4
189.09113	9.6
189.12791	1.3
189.16434	0.5
190.06248	1.2
191.06993	1.7
191.10698	0.6
192.07787	0.9
193.08612	1.2
198.06738	1.8
199.07555	2.4
201.05495	1.9
201.12822	0.6
203.07040	6.2
203.10675	0.6
203.14291	1.4
204.07828	14.0
205.08591	2.0
206.07513	0.5
206.09344	1.0
213.12776	1.3
216.07883	3.7
217.08556	1.1
218.09390	1.5
219.10138	2.1
221.08073	0.5
221.11719	3.3
231.10168	7.3
231.13760	4.4
234.08875	1.2
249.11235	100.0
249.14850	4.4
249.18408	1.5
250.11543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01875	0.7
57.74901	0.6
59.02719	0.6
67.05504	1.2
69.03426	0.8
70.64060	0.6
71.07642	0.7
71.07994	1.3
77.94991	0.6
79.05482	0.8
79.64441	0.6
81.07043	1.0
91.04975	0.8
91.05488	7.6
93.07040	0.5
95.04968	1.0
95.08639	0.7
95.24303	0.5
97.06525	0.6
103.05466	1.2
105.07034	4.7
105.52572	0.5
107.04965	2.2
107.08606	0.6
109.90266	0.5
115.05452	5.8
116.06246	3.9
117.07048	4.0
119.08585	1.1
128.06242	9.9
129.07019	21.5
130.07790	1.4
131.04919	2.3
131.08578	17.6
132.05702	1.2
133.06474	2.7
133.10133	1.6
141.07001	10.3
142.07787	3.4
143.04926	0.9
143.08569	4.3
144.05733	10.7
145.06491	7.4
145.10132	1.2
146.07260	3.3
147.04428	1.2
147.08029	0.9
152.06255	1.4
153.06984	1.6
155.06038	1.3
156.05722	1.9
157.06497	8.7
157.10196	0.6
158.07268	2.2
159.08069	29.5
159.11687	0.7
160.05257	1.0
160.08644	0.5
161.06015	3.6
161.09642	7.3
167.07101	0.8
169.06419	1.5
169.07658	2.5
170.07294	8.2
171.04494	1.3
171.08057	6.3
171.11662	0.9
172.05225	3.2
173.06032	3.6
174.06773	2.6
175.07535	3.3
178.06334	1.1
181.06473	0.9
184.05252	0.8
185.06050	1.3
185.13385	0.6
187.07564	19.6
188.08331	1.5
189.05460	3.9
189.09145	9.5
189.12740	1.1
190.06233	0.8
191.07059	1.8
198.06776	1.6
199.07491	2.7
201.05492	1.5
203.07050	5.4
204.07855	12.5
205.08542	1.5
206.09401	1.5
208.57315	0.6
213.12845	0.6
216.07816	3.2
217.08553	1.5
218.09518	1.0
219.10144	2.6
221.11673	4.1
228.50356	0.6
231.10207	8.5
231.13818	2.0
234.08865	1.1
249.11246	100.0
250.11644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
53.27813	0.6
56.36126	0.6
58.46569	0.6
67.05495	0.7
69.03429	0.8
69.90760	2.4
70.79982	0.6
73.50552	0.6
75.01495	0.6
91.05492	7.0
94.98979	0.7
95.04967	0.5
98.21410	0.9
103.05459	1.1
105.07059	3.5
107.04965	2.2
115.05484	5.0
116.06243	4.3
117.07024	2.2
123.04429	0.5
128.06230	11.2
129.07018	21.6
130.07648	0.7
131.04956	3.3
131.08582	16.9
132.05704	1.5
133.06485	3.2
133.10126	1.8
141.06996	10.2
142.07780	4.2
143.08572	2.8
144.05713	9.9
145.06508	6.4
146.07272	3.0
147.04405	1.3
152.06230	1.3
153.06999	2.6
155.04932	0.7
155.06065	1.5
156.05705	1.0
157.06494	9.9
158.07285	2.2
159.08067	29.9
160.05185	1.4
161.06012	4.2
161.09650	6.6
167.07076	1.0
167.68698	0.7
169.06407	1.7
169.07678	2.8
170.07285	8.0
171.04416	1.7
171.08046	6.4
171.09314	0.7
172.05212	2.7
173.06009	3.9
174.06822	3.2
175.07536	2.2
177.05522	1.2
178.06235	1.5
185.05901	1.3
186.06819	1.0
187.07561	18.7
188.08353	1.1
189.05502	3.0
189.09132	9.3
190.06212	1.2
191.07056	1.3
198.06801	1.9
199.07571	2.6
201.05501	1.6
203.07054	6.0
204.07825	13.0
205.08611	2.2
206.09409	1.1
216.07835	4.4
217.08641	1.0
218.09418	1.4
219.10167	2.2
221.08141	1.3
221.11673	2.8
231.10211	7.7
234.08948	1.2
234.77025	0.7
249.11244	100.0
250.11475	0.6
252.36565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03948	0.5
55.01855	0.6
55.05500	1.2
56.55853	0.5
57.07051	0.5
58.87001	0.5
65.03927	1.0
67.05502	3.3
69.03440	1.2
69.07056	2.0
70.75952	1.1
70.76280	0.5
71.04978	0.5
72.49390	0.5
74.12802	0.5
79.05495	4.5
81.07063	4.5
87.10519	0.4
88.27180	0.5
91.05479	12.0
93.03392	1.0
93.07054	3.7
95.04952	1.0
95.08639	3.4
97.02934	0.6
97.06515	1.8
103.05457	1.4
103.35883	0.5
104.06316	0.6
105.06376	0.9
105.07031	10.8
107.04946	2.1
107.07881	0.6
107.08603	8.1
109.06496	1.7
109.10150	2.1
111.04438	0.5
115.05439	5.8
116.06264	3.2
117.07024	4.3
118.07766	0.8
119.04942	0.8
119.08580	7.8
121.06522	1.7
121.10139	2.9
123.08080	1.6
123.11693	0.5
125.09610	1.2
128.06226	11.9
129.07005	23.4
130.07761	1.8
131.04921	1.8
131.08575	20.9
132.05678	1.3
133.06502	4.2
133.10141	5.3
135.08055	4.0
135.11638	0.9
137.09581	0.7
139.05507	0.6
141.06987	10.0
142.07796	4.9
143.04938	0.8
143.08549	7.3
144.05696	9.6
145.06491	6.2
145.10149	5.5
146.07234	3.8
147.04407	1.1
147.08038	3.8
147.11681	1.7
151.07545	0.6
152.06233	1.4
153.07018	2.7
153.09085	0.7
155.06036	1.8
155.08566	0.8
156.05688	2.5
156.91647	0.5
157.06485	10.2
157.10078	3.5
158.07256	2.6
159.08064	27.6
159.11693	2.9
160.05180	1.4
160.08850	0.5
161.06001	4.1
161.09612	8.4
161.13278	2.6
163.07561	0.6
163.11198	0.8
165.06973	0.7
167.07053	1.1
169.06421	2.0
169.07664	2.6
170.07266	7.5
170.10939	0.8
171.04428	1.5
171.08057	7.0
171.11685	1.8
172.05205	3.5
173.05986	5.1
173.09581	1.4
174.06792	2.5
175.07533	4.5
175.11191	0.9
175.14824	2.4
178.06227	1.1
181.06396	0.7
184.05078	0.8
185.05896	0.9
185.13289	5.1
187.07544	19.1
187.11172	0.7
188.08344	1.4
189.05498	3.9
189.09109	10.0
189.12729	3.2
190.06235	1.3
191.06960	1.4
191.10638	0.9
192.07745	0.7
193.08635	1.2
195.11697	2.0
198.06770	2.1
199.07500	2.5
201.05504	1.7
203.07025	5.8
203.10616	0.6
203.14316	4.2
203.18062	0.6
204.07828	14.6
205.08606	1.9
205.15649	0.5
206.09367	0.6
207.10136	0.6
207.13741	0.6
213.12770	2.9
216.07849	4.1
217.08583	1.2
218.09398	2.2
219.10110	1.4
221.08043	1.2
221.11716	3.3
221.15274	1.1
231.10255	7.0
231.13788	12.2
234.08778	0.9
249.11226	100.0
249.14755	6.5
249.18478	1.8
250.11533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28810	0.6
55.79316	0.6
58.99857	1.2
70.99856	1.7
71.06448	1.4
77.00919	0.8
79.40817	0.6
82.99834	3.5
101.00891	52.7
103.02457	2.5
110.74120	0.6
113.00869	3.5
115.02435	1.2
119.01929	100.0
120.02019	1.3
127.02435	2.7
131.01927	10.3
133.03482	1.5
134.52173	0.6
136.55609	0.7
137.02962	17.7
141.00333	1.1
142.03505	1.2
143.01903	22.9
145.03471	13.4
147.01405	1.5
149.02977	1.5
155.01854	0.9
157.03493	2.8
159.01402	12.0
161.02968	49.8
162.03154	0.7
163.04581	0.9
165.02528	0.7
171.01413	6.0
173.02986	3.8
175.04561	1.2
177.02451	17.0
178.02586	0.8
179.04041	1.3
183.01427	1.1
184.04619	1.2
189.02460	52.3
191.04054	2.9
200.04166	0.7
201.02467	8.9
207.03517	15.4
219.03532	7.9
231.03600	2.2
249.04604	15.5
265.84631	0.6
267.05725	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
55.01861	1.5
55.05501	1.8
65.03925	1.0
67.05514	6.7
69.03414	1.5
69.07063	1.4
69.53285	5.1
71.04999	1.1
76.08489	0.8
79.05509	4.9
81.03440	1.2
81.07050	5.0
83.04987	1.8
91.05480	9.8
93.07049	5.4
95.04993	5.6
95.08603	4.3
97.06513	1.2
98.21476	1.5
103.05481	1.3
105.07033	16.2
107.08601	7.3
109.02846	1.3
109.06507	4.1
109.10155	1.4
115.05453	3.3
117.07018	11.7
119.04936	0.8
119.07811	1.5
119.08592	24.7
121.06501	3.3
121.10169	1.3
123.04411	6.1
123.08049	2.0
128.06207	2.7
129.07001	5.9
130.07774	1.1
131.05009	0.8
131.08572	20.5
133.06503	19.9
133.10121	4.7
135.04353	1.0
135.08057	4.9
135.11658	1.2
141.06989	4.8
142.07788	7.1
143.08582	10.1
144.09351	3.5
145.06477	4.8
145.10121	12.1
145.36066	0.9
147.08087	5.7
147.11697	9.8
149.09633	1.0
153.07001	5.3
155.08540	8.7
157.06508	1.2
157.10138	16.4
158.07286	2.2
158.10910	1.9
159.08075	9.2
159.11748	8.3
161.05986	1.6
161.09624	2.0
163.07503	2.4
163.11205	1.0
167.08571	1.7
168.09372	12.2
169.10118	3.8
171.08078	1.9
171.11777	1.1
172.08820	1.8
173.06010	6.5
173.09630	6.6
173.13264	9.7
175.11188	3.1
177.08998	0.9
178.07739	1.1
181.06580	1.4
181.10103	2.8
183.11714	29.8
185.09657	1.9
185.13255	2.3
186.10472	1.4
187.07535	4.8
187.11206	6.7
189.09143	2.0
193.10112	4.5
196.08871	2.3
199.11270	1.2
201.09113	6.3
201.12764	16.5
203.10641	1.2
205.08606	2.4
205.12286	1.0
207.29868	0.9
211.11162	11.1
219.13765	1.5
229.12248	100.0
230.12599	1.8
247.05861	1.3
247.09554	2.0
247.13301	24.1
247.16995	2.2
247.20415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	[3aS-(3aalpha,6aalpha,9beta,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-9-hydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03941	5.2
55.01872	4.2
55.05501	7.0
62.20676	3.0
65.03938	4.7
67.05491	10.1
69.03432	10.0
69.39893	29.1
71.04990	4.7
77.77145	3.5
79.05518	18.2
81.07059	14.9
83.04978	8.8
91.05483	47.7
93.07054	45.2
95.04984	9.7
95.08607	6.1
105.07046	38.1
107.08591	13.0
109.06519	81.0
115.05457	13.5
116.06182	3.6
117.07035	31.1
119.07789	6.0
119.08591	71.5
121.06512	83.9
128.06232	7.9
129.07031	19.9
131.08577	40.2
133.06587	4.4
133.10167	7.2
135.04436	7.7
135.08072	67.7
141.07001	4.2
142.07787	12.5
143.08574	23.2
144.09372	5.0
145.06488	23.0
145.10158	24.3
147.08054	44.8
149.05901	4.0
153.06972	11.8
155.08583	20.9
157.10175	31.8
158.07288	7.2
158.10907	5.3
159.08073	45.9
159.11729	19.4
161.06012	4.8
161.09705	6.2
165.09116	13.2
168.09366	28.5
171.08052	14.1
172.08812	8.8
173.06015	74.6
173.09624	30.4
173.13271	21.9
175.07674	5.0
175.11214	16.1
181.06458	7.7
181.10091	6.3
183.11716	66.0
185.09677	4.9
186.10429	6.7
187.07591	16.0
187.11215	11.1
191.07030	6.5
193.10159	14.2
196.08852	16.8
201.12773	62.5
211.11192	77.4
229.12257	84.2
232.12596	4.3
247.13278	100.0
247.17035	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	247.133
Annotation	Preeupatundin
Peak:m/z	Relative Intensity
53.03934	4.1
55.05514	3.7
55.54639	2.8
67.05493	8.1
69.03415	5.4
69.07076	3.3
70.06573	3.7
71.15397	3.7
71.15733	3.2
76.84691	2.6
79.05490	19.6
81.03396	3.9
81.07062	17.3
88.07634	5.6
91.05482	39.8
93.07060	19.8
94.56572	2.9
95.04969	8.3
95.08605	9.3
100.17688	2.9
103.05484	6.0
105.07037	30.8
107.04932	3.3
107.08587	25.5
109.02823	3.6
109.06505	9.0
110.09328	2.7
115.05483	7.6
117.07024	24.7
119.08566	26.4
121.06505	13.1
128.06232	10.5
129.07024	24.5
129.38892	2.5
130.07750	4.3
131.04942	4.6
131.08578	38.5
133.06509	4.7
133.10133	6.0
135.08102	8.2
137.06004	3.7
137.09541	3.3
141.06981	23.5
142.07796	16.5
143.08611	20.5
145.06509	17.4
145.10138	26.0
147.08069	12.2
147.11749	4.3
149.05968	6.9
153.06972	16.0
154.07761	3.5
155.08565	37.2
156.09293	2.7
157.06567	3.9
157.10147	29.4
157.92664	3.0
159.08067	28.0
159.11684	18.6
160.08849	3.6
160.57904	3.2
161.05969	3.2
163.07555	4.9
168.09355	25.3
169.10089	7.6
171.08063	7.1
173.05997	14.0
173.09644	15.1
173.13284	15.3
175.11296	3.8
177.09129	2.9
181.06445	7.8
181.10204	4.6
183.08105	5.7
183.10229	5.2
183.11720	62.7
185.09644	6.1
185.13271	3.7
187.07547	7.9
187.11211	18.5
187.14761	4.4
193.10214	3.8
196.08913	4.7
201.09198	7.9
201.12759	100.0
211.11223	21.8
219.13750	3.7
229.12231	61.9
229.23611	3.4
247.13336	44.0
247.17055	7.3
247.24631	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	[3aS-(3aalpha,6aalpha,9beta,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-9-hydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.72265	2.9
51.51069	2.6
53.03947	7.1
55.05502	6.3
56.61837	2.8
62.16840	3.2
62.56842	2.8
67.05501	8.2
69.03427	8.0
70.80407	7.0
70.80751	3.8
73.30493	3.1
79.05480	14.8
81.07063	15.9
83.04990	7.1
91.05482	54.2
92.22074	2.9
93.07048	51.8
95.04962	10.8
95.08612	9.1
99.04492	2.9
101.53474	2.8
103.05494	3.0
105.07050	28.6
107.08586	13.8
109.06522	87.1
115.05491	9.4
117.07024	32.8
119.08595	68.0
121.06515	97.0
123.04421	3.2
128.06226	11.0
129.07028	13.6
131.08554	31.3
133.06483	6.3
133.10178	4.6
135.04405	5.0
135.08058	64.3
141.07022	9.6
142.07829	15.0
143.08598	17.2
144.05713	3.4
144.09360	4.8
145.06482	29.8
145.10141	20.2
147.08054	60.3
147.11739	6.0
149.06061	3.4
149.09645	6.0
153.06996	7.2
154.07814	3.4
155.08557	16.8
157.10120	27.4
158.07277	6.8
158.10985	4.2
159.08058	43.4
159.11687	17.3
161.05980	6.5
161.09637	5.5
163.07498	6.0
165.09113	14.5
167.08601	3.2
168.09378	27.2
169.10127	3.7
171.08047	11.9
172.08862	10.7
173.04593	5.8
173.06003	68.4
173.09604	27.5
173.13263	21.8
174.06754	3.7
175.07599	3.5
175.11182	16.9
178.07823	5.7
181.06526	6.9
181.10101	7.7
183.11714	67.3
185.09624	4.5
186.10440	5.0
187.07536	17.9
187.11215	9.6
191.07027	3.9
193.10124	19.4
195.07994	3.1
196.08905	15.7
196.24884	3.6
199.11253	3.1
199.35022	2.8
201.12756	65.8
211.11179	78.1
229.12251	80.6
247.13322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Preeupatundin
Peak:m/z	Relative Intensity
53.03944	1.9
55.01870	4.0
55.05497	4.0
66.26885	1.3
67.05503	4.9
69.03430	6.9
69.67851	2.2
69.68265	6.4
79.05500	10.6
81.07054	7.0
83.04971	5.2
91.05487	26.6
93.07047	24.9
95.04961	4.5
95.08589	2.2
103.05481	2.6
105.07041	15.2
107.04970	3.2
107.08613	12.4
109.06528	36.4
111.08015	1.9
114.47802	1.6
115.05455	3.9
117.07021	17.3
119.08590	55.2
121.06514	32.4
121.10136	1.5
123.04407	1.7
123.07994	2.0
128.06187	2.3
129.07037	9.0
131.08575	16.1
133.06503	4.2
133.10071	2.1
135.08064	32.6
141.06989	3.9
142.07779	5.1
143.08537	8.8
144.09122	1.3
145.06468	9.0
145.10103	6.4
147.06931	2.3
147.08067	35.5
147.11690	4.1
149.05980	2.3
149.09627	3.3
153.07045	3.3
154.07790	1.9
155.08554	7.8
157.10118	11.9
158.07306	3.2
159.08049	13.4
159.11658	9.2
161.05968	1.7
161.09637	2.6
163.07544	34.8
165.09113	18.4
167.08536	1.8
168.09346	11.1
169.10117	2.1
171.08084	3.3
172.08890	3.2
173.05995	19.3
173.09637	9.7
173.13228	8.0
175.11186	5.7
177.09132	2.9
181.06558	2.4
181.10123	3.0
183.11710	31.4
185.09575	3.4
187.07506	5.1
187.11195	5.4
193.10144	6.9
196.08884	7.3
199.99780	1.4
201.12769	27.7
211.11208	21.5
229.12241	38.2
247.13306	100.0
269.16083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	[3aS-(3aalpha,6aalpha,9beta,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-9-hydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03939	6.2
55.01865	3.3
55.05504	4.8
55.85564	2.3
59.82971	2.3
62.93247	2.2
67.05489	7.7
69.03422	7.4
69.07076	2.3
70.06586	4.3
70.10889	8.6
71.04977	2.6
79.05499	15.3
81.07056	17.8
83.04977	3.4
88.07597	4.6
89.07954	2.4
91.05479	43.6
93.07048	44.1
95.04937	7.9
95.08599	7.4
103.05497	4.7
105.07022	29.3
106.08640	2.9
107.04951	3.4
107.08591	9.1
109.05792	4.7
109.06523	84.4
111.08067	4.3
115.05455	8.4
117.07017	35.6
119.04906	2.2
119.08582	62.4
121.06510	100.0
128.06190	5.6
129.07053	15.2
131.08571	30.4
133.06445	5.5
133.10146	2.7
135.04434	4.5
135.08054	64.0
137.06001	2.7
137.09608	2.8
139.07487	2.8
140.61995	2.4
141.06943	7.1
142.07750	12.4
143.08592	14.7
144.05690	4.0
144.09322	4.9
145.06477	26.8
145.10114	20.2
146.07278	2.1
147.08047	52.0
147.11633	5.8
149.05910	2.2
149.09599	6.9
153.05678	2.1
153.06987	7.8
155.08554	22.6
157.10138	25.9
158.07263	6.2
158.10922	3.8
159.08055	44.7
159.11676	18.4
163.07539	7.0
165.09111	16.5
167.08528	6.9
168.09358	25.4
169.10158	4.6
171.08041	15.5
172.08897	12.1
173.05995	83.8
173.09621	28.8
173.13228	19.1
175.07536	5.2
175.11186	15.9
178.07732	6.8
181.06503	8.6
181.10078	5.1
183.11705	56.0
185.09558	5.4
186.10411	4.5
187.07550	13.3
187.11147	11.8
188.89078	2.1
191.07054	2.7
193.10072	19.6
196.08826	19.1
201.09004	2.4
201.12759	56.5
211.11185	76.6
211.13210	4.1
229.12222	70.7
229.23595	2.7
246.49345	2.2
247.13295	75.7
247.24637	35.3
261.36072	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	247.133
Annotation	Preeupatundin
Peak:m/z	Relative Intensity
53.03942	2.0
55.01857	3.2
55.05514	3.7
62.19615	1.4
67.05486	5.5
68.08755	1.6
69.03416	4.7
71.30876	2.1
77.03899	1.4
79.05502	8.2
81.07079	7.5
83.04955	4.1
86.44324	1.5
91.05487	29.6
93.07057	25.2
95.04955	4.9
95.08607	4.3
100.49767	1.5
103.05451	1.9
105.07041	17.0
107.04949	2.5
107.08594	10.6
109.06523	41.5
115.05455	4.2
117.07025	16.3
119.04948	2.0
119.08585	53.2
121.06524	38.3
123.04390	2.5
123.08104	2.7
128.06235	3.3
129.06984	5.6
131.08582	12.8
133.06477	5.1
133.10149	3.6
135.08057	29.0
137.09642	3.2
141.07016	3.2
141.66991	1.6
142.07794	6.5
143.08522	9.4
144.05710	1.8
145.06479	9.4
145.10129	12.1
147.08052	41.7
147.11679	3.9
149.09592	2.6
153.06984	2.7
155.08585	9.3
157.10139	16.8
158.07329	2.1
159.08070	18.6
159.11693	6.6
160.08856	2.0
161.05942	1.5
161.09595	2.4
163.07552	26.1
165.09148	18.8
167.08536	2.5
168.09354	10.2
169.10152	2.7
171.08081	4.8
172.08835	4.7
173.05998	24.9
173.09616	11.0
173.13258	10.2
175.07564	3.0
175.11180	6.0
177.09108	2.7
181.06482	3.0
181.10175	4.3
183.11696	34.1
185.09607	3.0
187.07532	5.3
187.11189	5.7
193.10158	8.0
196.08871	6.5
201.12759	30.5
211.11183	23.9
229.12254	42.4
229.14558	2.4
247.13312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Xanthatin
Peak:m/z	Relative Intensity
55.01864	2.4
55.05492	3.0
57.03428	1.5
59.78091	0.8
60.84859	0.9
65.03442	0.8
65.03920	1.4
67.05511	8.1
69.03430	2.9
69.07066	2.1
71.04981	2.3
71.15873	1.9
79.05498	14.0
81.07063	23.4
83.04974	2.9
89.29991	0.9
91.05482	16.1
93.07044	10.8
95.04972	5.3
95.08624	5.3
96.71097	0.9
97.06523	4.2
99.04444	1.0
103.05452	1.6
105.07037	26.3
107.04953	2.8
107.08602	7.3
109.06519	10.7
115.05398	4.8
116.06230	1.2
117.07029	15.3
119.04933	1.3
119.08588	13.1
121.02830	1.2
121.06540	6.1
121.10155	3.9
123.04400	1.5
123.08073	4.6
125.05959	1.1
127.07573	6.2
128.06221	8.1
129.07013	9.0
130.07774	4.0
131.08583	21.0
133.06493	3.9
133.10127	8.5
135.04539	0.9
135.08072	7.0
135.11710	1.6
137.05974	2.0
137.09634	1.7
139.07518	1.4
141.06999	10.7
142.07773	5.0
143.07487	1.5
143.08566	22.2
143.09679	1.2
144.05687	1.2
144.09377	5.1
145.06474	6.3
145.10130	26.9
146.07288	1.1
147.07994	4.5
147.11642	2.0
149.09653	5.6
151.07487	1.8
153.06981	3.0
154.07773	8.6
155.08542	7.9
157.06502	1.6
157.10129	8.5
158.07237	2.0
158.10899	2.1
159.08072	9.0
159.10455	1.5
159.11702	23.2
160.08707	0.8
161.06010	1.4
161.09633	17.5
163.07547	1.5
163.11189	2.2
163.14728	0.9
167.08592	1.4
168.09346	6.2
169.10132	37.4
171.08051	6.6
171.11690	1.2
172.08844	3.3
173.06000	3.4
173.09647	5.1
173.13275	6.4
175.07458	1.3
175.11232	2.1
177.09062	2.1
177.12762	5.9
183.11717	16.4
185.09633	2.2
185.13283	2.0
186.10387	1.5
187.07578	4.1
187.11195	100.0
188.11552	2.1
189.07237	1.6
189.09108	9.1
190.07634	1.3
191.08583	1.1
193.10161	1.1
196.08762	1.0
201.05472	1.4
201.09085	1.5
201.12781	24.8
203.10660	1.1
205.12250	74.1
206.12640	1.3
211.11235	6.7
219.10124	1.1
219.13823	4.2
229.08737	1.3
229.12241	26.5
247.05945	4.2
247.07799	2.4
247.13292	47.9
247.17155	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Preeupatundin
Peak:m/z	Relative Intensity
53.03949	2.3
55.05489	4.5
62.20218	1.7
67.05505	8.5
69.03423	7.3
69.07055	4.7
71.12376	3.5
75.37064	1.8
79.05502	12.8
81.03403	1.9
81.07065	14.4
83.04994	10.6
91.04967	2.7
91.05486	31.1
93.07050	17.8
95.04972	9.3
95.08586	5.4
97.06517	5.9
103.05473	4.4
105.07032	36.1
107.04956	2.3
107.08626	8.9
109.06535	13.6
111.08073	2.2
115.05457	6.4
116.06226	2.5
117.07048	25.3
119.04929	4.5
119.08594	23.1
121.06499	16.1
121.10110	3.0
123.08057	3.9
124.07615	2.6
124.87294	1.9
125.09599	3.3
128.06218	9.7
129.07013	11.2
130.07785	2.7
131.08578	37.3
133.06477	6.1
133.10126	7.0
135.08037	8.3
136.97992	1.6
137.05949	4.8
141.07018	11.6
142.07776	16.2
143.08580	25.4
144.09337	4.1
145.06516	13.4
145.10152	29.6
147.08061	11.7
147.11703	8.4
149.05928	2.9
149.09610	2.8
150.26266	1.8
151.07530	5.4
153.06978	11.5
154.07713	3.8
155.08580	23.0
156.09338	4.0
157.06537	2.1
157.10155	27.6
158.07274	3.8
158.10808	2.1
159.08061	19.7
159.11714	23.0
161.09630	6.1
163.07576	3.9
165.09027	3.0
167.08607	3.0
168.09375	19.2
169.10155	4.6
171.08034	4.4
171.11705	5.2
172.08900	3.3
173.05988	7.9
173.09654	14.3
173.13274	19.4
175.07481	1.9
175.11201	17.7
177.09094	2.4
181.06528	2.6
181.10052	1.8
183.11722	59.0
185.09584	6.4
185.13292	5.1
186.10420	4.9
187.07640	9.7
187.11188	19.8
189.09094	8.0
193.10123	5.5
196.08769	6.0
201.09056	5.1
201.12767	63.7
203.10695	4.3
205.12259	2.9
211.11189	18.8
217.12276	1.9
219.10121	5.5
219.13797	5.9
229.12259	77.6
230.11681	2.4
247.05797	3.4
247.07892	4.0
247.13289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03935	1.8
54.75854	1.3
55.01879	1.4
55.05507	2.1
56.23994	1.3
63.02373	1.3
67.05488	4.1
69.03412	3.1
69.07050	3.6
69.10536	1.3
70.89555	3.7
71.66467	1.3
79.05492	8.9
81.07047	5.0
87.38654	1.4
91.05487	12.7
93.07047	10.6
95.04975	19.2
95.08591	3.0
97.06528	2.6
103.05458	1.5
105.07035	20.2
107.08589	5.7
109.06532	28.0
115.05390	2.8
116.06342	2.1
117.07041	11.0
119.08599	12.7
121.06525	7.4
121.10165	1.3
122.07307	1.6
123.08007	1.9
128.06219	5.1
129.06995	6.1
131.04980	1.4
131.08592	19.5
133.06519	3.6
133.10129	4.3
135.04431	1.8
135.08063	69.6
141.06985	3.8
142.07771	5.3
143.08560	13.3
144.09311	3.0
145.06502	6.8
145.10139	19.3
147.08057	4.1
147.11682	4.9
149.09552	2.2
151.07526	3.1
153.06960	3.3
155.08543	6.8
157.10133	9.6
158.10876	1.8
159.08052	9.1
159.11681	6.2
161.09634	1.5
163.07550	3.6
167.08665	1.8
168.09387	6.4
169.10187	1.4
171.08017	1.9
172.08847	1.5
173.05969	3.8
173.09653	6.5
173.13283	26.7
175.11198	5.1
177.09143	1.5
183.11716	22.8
185.09557	2.8
185.13258	3.2
186.10445	1.7
187.07541	3.1
187.11191	5.9
189.09175	2.3
191.07048	11.7
191.10709	2.2
193.10152	1.8
196.08873	2.1
201.12759	33.4
203.10593	1.9
211.11172	7.1
217.12274	1.4
219.13754	6.5
229.12265	27.5
247.13318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
53.03933	3.3
55.01880	3.5
55.05502	3.2
65.03934	1.9
66.63747	1.4
67.05504	7.9
69.03421	5.9
69.07069	1.8
69.85495	8.6
71.04993	1.4
73.02930	2.2
77.03935	2.1
79.05510	10.6
81.03432	3.5
81.07069	12.0
83.04963	1.8
91.05476	17.2
93.07044	11.5
95.04983	6.6
95.08624	6.8
97.06527	2.4
103.05479	2.4
105.07045	21.5
107.04955	2.0
107.08591	6.6
109.06522	16.0
109.10153	1.8
111.04510	1.4
111.08099	2.1
115.05460	13.9
116.06249	10.2
117.07038	13.8
119.04944	2.7
119.08577	19.2
121.02843	1.4
121.06518	18.4
121.10150	2.8
123.08113	1.6
125.05955	1.5
126.59052	1.5
128.06223	14.9
129.06038	2.4
129.07016	43.2
130.07806	4.1
131.08580	21.4
133.06482	5.1
133.10123	5.6
135.08037	11.8
137.05984	23.0
141.06990	9.2
142.07793	10.6
143.08577	18.5
144.05725	10.9
144.09358	4.2
145.06508	13.2
145.10143	20.7
147.08052	8.3
147.11687	5.3
148.08832	2.4
149.09673	1.6
151.07549	2.6
152.06261	2.4
153.07008	18.1
154.07765	9.8
155.08566	79.7
156.09331	2.7
157.06496	37.4
157.10130	17.3
158.07326	8.9
158.10950	1.5
159.08054	17.7
159.11708	12.6
161.06024	8.1
161.09624	4.7
162.06802	14.5
163.07501	2.5
163.11198	2.0
165.06998	12.0
165.09070	2.9
167.08600	3.6
168.05734	17.0
168.09373	11.3
169.10178	4.2
171.08118	5.7
172.08807	3.3
173.06021	16.7
173.09645	18.7
173.13283	12.2
175.07565	55.4
175.11206	5.9
181.06586	2.2
182.07246	2.8
183.08067	100.0
183.11685	23.9
184.08629	2.1
185.05989	2.5
185.09642	5.5
185.13257	2.3
186.06813	5.4
186.10393	3.4
187.07558	9.1
187.11189	10.3
187.14919	2.2
188.08386	1.6
189.07025	2.8
189.09128	4.5
191.07040	2.9
191.10602	1.9
193.10164	3.5
196.08907	4.1
201.05463	5.8
201.09116	82.5
201.12741	30.0
203.10611	2.7
205.12267	5.4
211.07570	57.6
211.11118	15.3
214.06406	1.7
219.10170	2.8
219.13736	2.8
229.08629	59.9
229.12187	31.5
247.05962	5.2
247.07722	2.1
247.09697	24.5
247.13329	43.7
247.17024	4.6
247.20641	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
53.03941	3.6
55.05502	5.1
57.07071	1.7
65.03926	2.1
67.05497	8.6
69.03410	2.8
70.05594	2.2
70.06611	3.0
70.72238	3.1
78.97664	2.1
79.05499	23.3
81.03419	4.4
81.07056	15.9
88.07656	3.1
91.05485	34.1
93.07050	18.7
95.04987	4.4
95.08635	3.6
103.05471	3.9
105.07033	31.2
107.04962	5.1
107.08601	23.2
109.02888	4.7
109.06548	2.8
115.05460	8.6
117.07027	25.7
119.04916	1.9
119.08582	19.9
121.06576	10.2
124.09137	1.8
128.06190	9.6
129.07008	27.9
130.07797	3.8
131.04916	4.4
131.08569	40.5
133.06491	6.1
133.10136	2.6
135.04405	3.3
135.08087	3.2
141.06999	19.7
141.68083	1.9
142.07813	10.8
143.08577	18.4
144.09349	4.6
145.06490	13.3
145.10139	19.9
147.04390	2.1
147.08090	3.7
149.06001	6.0
151.07568	3.6
153.07002	16.3
154.07828	6.1
155.08560	42.1
156.09357	2.9
157.06548	3.4
157.10139	29.1
159.04456	5.2
159.08055	18.6
159.11713	12.6
161.05977	2.5
161.09650	3.0
163.07600	2.2
165.06927	3.1
166.07915	2.0
167.08577	4.0
168.09367	20.7
169.10175	4.4
171.08049	2.4
171.11713	3.6
172.08807	3.3
173.06000	7.0
173.09691	12.0
173.13246	18.4
175.11212	3.1
181.10083	2.4
183.08150	4.8
183.11705	61.8
185.09654	5.7
185.13261	5.5
186.10445	3.5
187.07567	6.8
187.11203	7.9
193.10167	6.1
196.08827	2.7
201.09081	9.1
201.12753	100.0
211.11185	17.1
229.12260	46.7
231.35312	1.8
247.13258	28.1
247.24670	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.5
60.05647	2.5
67.05500	1.8
69.03417	3.0
70.06602	7.8
70.23690	2.2
70.24079	2.4
71.05009	2.2
72.08166	14.5
73.02895	1.1
74.02447	1.2
79.05494	2.1
81.03455	1.7
81.07053	3.1
83.04958	2.8
84.04498	4.3
84.08140	3.1
85.02893	2.8
86.09726	5.9
89.70926	1.2
91.05468	4.4
93.07046	3.0
95.04961	1.7
97.02875	2.1
98.06029	1.7
101.00878	2.5
102.05571	1.4
103.02431	1.4
105.07021	5.2
107.08575	2.4
109.06485	3.7
116.07098	2.2
117.06982	3.7
119.01926	4.6
119.08560	3.8
121.01674	2.7
121.06522	1.4
123.04436	1.2
127.03881	1.7
128.65860	1.3
129.06978	2.3
131.01929	2.3
131.08588	6.4
133.01657	1.7
133.03438	1.6
133.10062	1.7
135.08040	5.2
141.06987	1.6
142.07674	1.3
142.08690	1.7
143.08546	2.5
144.06535	2.6
145.03448	4.2
145.06483	2.0
145.10136	4.8
147.07983	2.1
147.11687	1.8
148.06030	3.3
155.08575	3.2
157.10138	3.7
158.09242	1.5
159.08040	1.7
159.11708	2.2
163.03961	1.4
163.07588	2.1
167.03171	1.5
168.09390	2.5
173.05975	2.0
173.09636	3.4
173.13271	3.4
175.11908	2.6
183.02177	1.6
183.11746	5.9
187.02507	2.5
187.11113	2.3
199.02742	1.4
201.09071	3.0
201.12729	12.0
203.11343	4.5
211.11211	1.3
217.03671	1.3
219.13850	1.4
229.03198	34.4
229.05357	2.5
229.12207	14.0
247.04239	100.0
247.08025	4.5
247.10072	4.6
247.13228	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	246.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
56.05032	0.5
57.07071	0.3
67.05513	4.3
69.07072	2.0
70.06564	0.4
72.08161	0.3
75.82370	0.3
79.05504	2.3
81.07063	5.5
83.08614	0.5
84.08121	0.4
91.05465	1.2
93.07048	2.9
94.06553	0.9
95.08614	8.1
96.08128	0.6
98.09688	0.3
98.21117	1.9
105.07031	3.0
107.08612	3.1
108.08115	0.9
109.06535	0.4
109.10162	10.5
110.09690	0.7
117.07041	0.6
119.08575	2.1
120.08106	0.5
121.06522	0.4
121.10149	2.3
122.09667	0.9
123.11739	1.8
131.08575	1.3
133.10153	2.7
135.08044	0.8
135.11690	3.3
136.08368	0.4
136.11200	0.7
145.06519	0.3
145.10085	1.3
147.11674	1.6
148.11168	0.5
149.12141	0.3
149.13258	4.7
150.12778	0.6
155.08600	0.3
157.10060	0.3
158.50099	0.3
159.07877	0.4
159.11679	0.5
161.09094	0.3
161.13261	1.4
162.12775	0.6
163.13553	0.3
163.14816	0.4
164.14342	1.2
172.12013	0.4
173.09587	0.3
173.13251	0.9
174.09924	1.0
176.14359	0.4
178.15845	0.4
183.11678	0.6
187.14786	0.5
188.14346	1.7
189.16408	5.4
190.15939	0.9
193.68668	0.3
200.11572	1.3
201.12762	1.0
202.16005	0.4
203.16762	0.6
204.17484	14.2
205.19572	1.8
210.09793	0.4
216.17529	2.0
228.11021	0.8
229.19577	0.5
230.19211	0.5
230.27298	0.3
231.19859	0.8
246.12248	1.6
246.22183	100.0
247.13303	1.3
247.22536	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.145
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
52.65081	1.9
55.01868	2.9
55.05500	2.8
56.05035	2.5
56.96560	8.1
58.06604	3.7
64.59811	2.0
66.56937	1.9
67.05490	4.8
69.03429	5.7
69.07069	61.5
70.02963	14.6
70.03723	2.0
70.06593	15.3
70.99754	2.0
72.08147	13.0
73.02897	4.7
73.06569	5.3
74.06085	3.4
79.05495	3.3
81.03423	4.8
81.07060	2.5
82.02956	3.0
83.04985	3.2
84.04511	10.0
84.08147	30.7
85.02905	7.2
85.04031	21.1
85.06498	2.1
86.09708	88.1
87.05594	83.6
88.03999	3.4
91.05479	6.4
93.07015	2.4
95.04984	4.4
96.04476	3.5
96.08125	4.0
97.02897	5.6
97.06519	6.6
98.02428	28.7
98.97573	7.6
100.07624	11.0
103.03864	2.1
105.07050	3.7
107.04937	2.2
109.02879	3.9
110.02407	77.4
110.03162	4.3
110.97542	2.4
111.04398	3.8
113.10767	53.5
116.07083	3.7
116.98601	4.5
117.10252	5.9
119.08589	2.6
120.08094	13.2
123.04421	2.9
124.03941	16.4
124.07576	3.8
125.07951	3.2
126.05546	5.8
128.98680	2.5
130.04974	2.0
130.08630	2.6
131.08591	2.4
132.10210	23.3
135.08058	2.7
136.08403	6.1
138.09157	5.6
139.03908	4.9
141.10229	97.2
143.08557	2.3
143.11801	12.1
145.06464	3.9
146.06859	2.6
146.10442	4.8
147.08060	2.6
150.05489	3.2
155.11792	12.1
160.08490	3.7
161.09207	7.3
166.07431	3.7
166.08643	96.8
167.08122	3.3
169.09714	8.2
172.08615	3.3
172.12164	2.9
173.09630	3.2
174.09958	16.4
177.00713	2.9
182.08078	4.5
182.10429	4.1
183.11342	15.6
185.09157	10.0
187.10791	68.9
200.06987	2.7
200.11525	19.0
200.13986	30.3
201.12619	4.3
211.10799	12.3
212.09184	100.0
213.08655	3.0
225.07066	3.4
228.08946	3.5
228.10992	17.6
228.13165	4.0
229.11867	50.2
246.04803	10.2
246.07591	4.7
246.09706	2.7
246.11902	23.0
246.14438	3.8
246.15446	3.2
246.18086	15.0
247.06026	13.0
247.10834	5.1
247.13239	3.4
253.06340	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.53181	0.2
55.05505	0.8
56.05022	0.4
56.53994	0.2
57.05804	0.3
59.05007	0.2
60.75731	0.2
61.26976	0.2
67.05501	0.4
69.03429	0.6
69.07072	11.6
69.70142	1.1
69.70557	0.3
70.06564	0.2
70.75027	0.2
79.05498	0.2
81.03447	0.3
83.05000	0.7
85.02916	0.4
86.09710	100.0
87.10030	0.3
90.44610	0.2
91.05493	0.7
93.07046	0.4
95.04980	0.2
95.08627	0.2
97.02888	0.4
105.07059	0.7
107.04980	0.3
109.06548	0.2
115.05434	0.4
117.07069	0.4
119.08592	0.3
121.06511	0.2
128.06277	0.4
129.06978	0.5
130.06531	1.9
130.07448	0.2
130.07777	0.2
131.08589	0.4
132.10219	2.1
133.10153	0.2
135.08041	1.3
141.07024	0.3
142.03239	0.2
142.07808	0.3
143.08560	0.8
145.06516	0.7
145.10162	0.8
147.08096	0.3
151.03941	0.5
155.08560	0.6
156.09366	0.5
157.06477	0.5
157.07619	2.6
157.10144	0.7
158.06064	1.6
158.07220	0.3
159.08101	0.6
160.08868	1.2
161.09671	0.3
166.07803	0.4
169.10217	0.2
171.04431	0.4
171.08029	0.4
171.11752	0.8
173.09628	2.9
175.08711	0.4
181.10165	0.7
184.08850	1.1
185.07162	0.8
188.44867	0.2
197.09576	0.2
199.03992	0.4
199.08849	1.0
199.11171	3.6
199.18114	0.7
203.08157	0.3
209.09621	0.6
212.08379	0.3
217.08656	0.2
217.12180	0.4
227.10661	2.4
231.07686	0.3
245.04459	6.6
245.09196	1.2
245.11844	3.1
245.18646	3.2
263.80252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05513	14.8
57.07065	2.1
67.05508	13.1
68.79076	0.8
69.02909	0.8
69.07073	16.1
71.18172	1.7
71.18516	1.5
79.05492	11.5
81.07061	36.9
83.08609	5.1
91.05470	8.5
91.54601	0.9
93.07048	27.2
95.08608	38.3
95.36064	0.9
97.10172	20.0
105.07040	18.4
107.08600	30.4
109.06448	1.1
109.09457	1.8
109.10161	22.5
115.05422	1.1
117.06998	1.5
119.06035	1.0
119.08579	15.6
121.06483	1.9
121.10146	32.8
123.04340	1.0
123.07992	1.1
123.11713	19.5
128.06230	1.7
129.07053	2.2
130.07831	1.5
131.08574	2.7
133.10146	10.6
135.08069	6.4
135.11696	18.0
137.13251	6.9
141.06929	0.9
142.07710	1.3
143.08612	5.4
145.06509	2.6
145.10117	3.1
147.11691	10.8
149.13268	48.7
155.08565	2.7
156.09369	4.5
157.10159	3.0
158.07236	1.9
159.08093	2.7
159.11644	1.4
160.08876	5.9
161.13274	12.5
162.80855	0.9
163.14825	15.3
165.07056	1.8
166.07767	2.8
169.06441	1.1
171.08084	2.5
171.11681	5.7
173.09648	15.6
175.14838	21.3
181.10219	1.7
183.08046	2.0
184.08844	5.1
185.09471	1.0
186.10248	1.1
189.16412	17.5
199.11194	16.2
203.17932	3.4
209.09682	2.7
212.08350	2.0
217.12230	1.1
227.10706	10.3
245.04517	2.1
245.09425	1.9
245.11737	17.4
245.15604	2.1
245.22665	100.0
246.22989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01862	3.4
55.05264	2.7
55.05513	35.4
57.03437	2.9
59.05004	2.4
60.15258	1.7
65.03917	2.9
67.05513	20.0
67.56761	1.8
69.03430	15.5
69.07069	19.0
69.24307	8.1
69.24729	11.1
71.04988	7.1
79.05488	6.8
81.07058	20.6
83.04981	36.5
83.08624	4.0
85.02901	2.7
85.06544	23.5
86.09695	4.3
91.05465	8.1
93.07043	22.2
95.04971	6.4
95.08611	60.6
97.06543	4.4
98.21486	4.9
99.04440	5.2
99.08114	13.7
101.06025	6.9
105.07058	11.4
107.08593	20.3
109.06499	6.0
109.10162	21.8
111.08089	2.4
113.09644	27.0
117.07022	2.6
119.08583	7.0
121.10161	20.8
123.08083	15.1
123.11690	3.5
125.09641	7.9
128.06206	2.0
129.07002	4.4
131.08585	5.3
133.10104	5.4
135.08034	7.7
135.11678	10.2
137.09650	12.5
137.13240	5.9
139.11240	12.3
141.07028	1.9
141.09099	2.0
142.07802	2.5
143.08572	6.0
144.06822	1.9
145.06496	3.1
145.10091	5.8
149.05972	2.4
151.11145	2.1
153.12767	13.2
155.10695	20.6
156.09355	3.9
157.10143	4.5
159.08078	3.7
160.08829	4.8
161.13280	6.5
163.14973	3.2
167.10683	4.4
171.08105	3.1
171.11673	6.0
171.13829	6.0
173.09637	18.6
179.14310	27.1
181.10143	4.0
183.13802	6.9
184.08807	7.0
185.09567	3.7
197.15385	100.0
199.11201	19.8
203.10605	3.2
209.09650	4.1
209.15349	1.9
212.08342	3.3
215.16458	19.9
227.10608	12.7
227.16374	4.4
245.04469	22.8
245.08112	3.6
245.11806	18.0
245.15244	2.8
251.53166	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1174
Annotation	Hypocretenolide
Peak:m/z	Relative Intensity
53.03936	2.7
55.01868	2.0
55.05498	2.8
65.03940	1.7
67.05495	5.9
68.24539	1.2
69.03425	3.1
71.46336	2.4
79.05494	22.7
81.07065	13.6
91.05482	16.8
93.07058	6.9
95.04952	4.9
97.02866	1.8
97.06546	3.7
103.05465	2.8
105.03360	1.8
105.06387	2.6
105.07036	31.7
107.04951	4.0
107.08582	2.6
109.02878	1.8
115.05434	6.0
117.07019	11.1
119.04941	1.8
119.08609	6.4
121.06490	4.0
128.06229	21.0
129.07008	33.2
129.07918	2.8
130.07805	3.5
131.08577	13.7
133.06500	7.8
133.10100	1.4
135.08078	14.0
137.05939	1.8
141.06990	14.4
142.07788	9.8
143.08569	42.2
145.06496	8.9
145.10141	9.4
147.08066	4.9
149.09549	1.5
151.07561	4.0
153.06963	7.1
154.07858	2.3
155.05969	2.0
155.08571	15.7
156.09358	18.5
157.06499	6.5
157.10165	6.9
158.07272	7.9
159.08064	11.2
160.08844	12.2
165.06999	12.8
166.06418	1.8
166.07790	21.0
168.09427	2.7
169.06487	5.4
169.10167	2.9
171.08052	8.3
171.11702	38.9
173.09636	36.5
175.07581	1.9
179.08620	2.6
181.10129	27.1
183.08067	6.1
183.11665	6.0
184.08827	16.7
185.05960	2.3
185.09631	2.9
197.09494	1.7
199.11191	100.0
206.98886	1.4
209.09579	13.8
212.08276	3.9
217.08629	2.0
217.12204	2.7
227.10675	39.9
229.12326	1.8
245.11751	41.2
245.19037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1176
Annotation	Hypocretenolide
Peak:m/z	Relative Intensity
53.03938	0.8
54.72281	0.7
54.95724	0.7
55.01865	2.1
55.05497	1.5
55.74261	0.7
67.05492	3.1
69.03448	5.0
69.07064	1.0
71.09973	1.1
79.05508	5.9
81.07050	1.7
83.04969	3.3
91.05485	6.7
93.07030	2.3
95.04974	1.9
105.07040	7.0
107.04941	1.3
107.08605	4.4
109.06507	1.9
111.04431	0.7
115.05479	3.4
117.07022	3.3
119.08597	5.4
121.06496	3.8
123.04463	1.3
123.08081	1.3
128.06192	3.8
128.32111	0.8
129.07028	6.7
130.07741	1.3
131.08592	4.7
133.06499	1.8
133.10098	1.6
135.08067	69.3
141.06979	4.2
142.07762	3.1
143.08575	10.2
144.05685	1.0
144.09375	0.7
145.05414	0.8
145.06509	13.3
145.10150	11.7
146.07207	1.1
147.04402	0.8
147.08052	10.4
148.08844	1.1
149.06023	1.0
149.09637	2.8
153.07010	2.7
155.08572	7.9
156.09357	8.9
157.06520	2.9
157.10155	4.4
158.07314	8.3
158.65849	0.9
159.08081	16.5
159.11723	0.9
160.08856	27.4
161.05994	5.8
161.09653	4.0
162.02850	0.6
163.07523	1.6
165.07025	5.2
166.07816	8.1
167.08574	0.7
168.09395	0.9
169.06514	7.9
169.10162	1.1
170.07294	0.9
171.08072	8.5
171.11708	10.8
172.08852	5.3
173.06007	2.3
173.09639	73.8
174.10245	2.2
175.07555	3.0
175.11168	3.9
179.08553	1.2
181.10118	7.9
182.07518	0.8
183.08043	8.0
184.08862	39.2
185.05862	0.7
185.09692	4.3
186.10428	3.5
187.07555	0.8
187.11195	4.2
189.09134	10.3
189.10869	0.8
189.11189	0.9
189.12755	9.7
194.07190	0.7
195.08061	0.7
197.05992	2.0
197.09628	3.4
199.11197	100.0
200.11800	3.1
201.09113	0.9
201.12804	5.5
203.10719	5.4
209.09627	19.4
212.08331	18.4
217.08575	2.9
217.12265	7.3
227.10686	65.5
228.11029	0.9
230.09415	1.8
245.11755	88.7
246.11951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Hypocretenolide
Peak:m/z	Relative Intensity
51.02385	0.7
51.66085	0.6
55.01870	1.3
61.80391	0.7
67.05502	1.8
70.27998	2.6
79.05489	3.3
90.48242	0.6
91.05485	4.5
105.07014	2.2
107.08623	0.8
109.06509	0.9
111.36479	0.6
115.05389	1.3
116.46420	0.7
117.07017	2.6
119.08566	0.8
121.06497	1.0
121.10145	1.0
128.06213	2.3
129.07028	4.0
130.07771	1.5
131.08577	3.2
135.08061	41.5
141.06985	4.1
142.07759	1.8
143.08582	6.7
144.05713	0.7
145.06494	18.5
145.10129	13.1
147.08122	1.4
148.08823	1.0
149.09621	2.5
153.07002	3.2
154.07755	1.1
155.08572	7.9
156.09361	5.9
157.06467	2.0
157.10143	1.5
157.72804	0.7
158.07288	12.7
159.06822	1.2
159.08051	12.8
160.08850	38.1
161.09572	1.5
165.07008	4.3
166.07799	6.3
168.09418	0.7
169.06500	9.1
171.08055	6.3
171.11674	4.5
172.08832	3.1
173.09633	100.0
174.10059	0.9
175.11130	0.7
181.10146	5.4
182.07361	1.4
183.08054	10.1
184.08849	33.3
185.09587	4.3
186.10416	2.1
189.09111	2.1
189.12772	3.1
194.07307	1.8
197.06001	1.8
197.09735	3.4
199.11195	79.7
200.11847	1.8
201.12738	3.6
203.10686	1.3
209.09633	19.0
212.08347	13.0
215.34282	0.7
217.08649	3.1
217.12285	2.1
227.10672	54.5
245.11754	48.2
245.14362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1174
Annotation	Hypocretenolide
Peak:m/z	Relative Intensity
53.03939	3.6
55.01864	3.8
55.16313	1.7
65.03928	2.2
67.05503	5.9
69.03426	10.5
71.11726	3.1
79.05471	7.3
81.03417	3.6
81.07060	2.3
90.02840	1.4
91.05482	20.9
93.07023	5.0
95.04949	4.8
103.05489	1.5
105.07049	9.4
106.35542	1.6
107.04934	4.6
107.08576	3.8
109.02879	5.6
109.06492	3.1
115.05446	5.6
117.07021	7.7
119.04958	3.0
119.08605	5.4
121.06526	11.9
122.07295	2.8
123.08060	3.7
128.06209	11.7
129.07019	16.9
130.07761	2.4
131.04933	2.5
131.08580	6.7
133.06476	2.3
135.04433	1.5
135.08043	29.4
137.05978	2.2
141.06989	7.1
142.07750	3.7
143.04933	2.0
143.08578	19.0
145.06505	10.5
145.10144	16.1
147.08035	9.0
149.09642	3.3
153.07040	3.2
155.08533	8.6
156.09348	12.3
157.06480	4.5
157.10162	7.8
158.07225	6.6
159.08046	10.0
160.08856	15.3
165.06990	10.4
166.07791	8.7
167.08530	2.2
169.06438	3.7
171.08031	13.1
171.11705	15.8
172.08792	3.5
173.09627	37.9
175.07538	2.8
175.11206	1.8
181.10130	19.1
183.08034	5.9
184.08852	17.4
185.09637	3.5
189.12691	2.5
197.09650	3.0
199.11186	67.3
200.11765	1.9
201.12775	1.9
209.09586	12.3
212.08334	5.9
217.12210	5.2
227.10674	35.7
245.11751	100.0
248.79909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1175
Annotation	Hypocretenolide
Peak:m/z	Relative Intensity
56.16629	1.3
58.78960	1.0
63.21798	1.1
63.24528	1.2
69.37280	1.3
70.10769	4.6
70.11113	1.4
78.09819	1.1
79.05522	2.5
91.05473	3.6
93.07028	1.4
98.20811	1.3
105.07043	1.6
109.06557	1.2
115.05463	2.5
116.12943	1.1
116.18570	1.3
117.06949	2.4
119.08591	1.6
121.06530	1.9
128.06317	1.4
129.06995	5.2
131.08578	4.4
135.08067	23.7
141.07022	3.4
142.07838	1.8
143.08611	6.1
145.06509	15.4
145.10127	11.2
147.08080	3.3
153.07014	3.6
155.08592	7.9
156.09369	7.6
157.06555	1.3
157.10184	3.1
158.07263	10.7
159.08063	14.1
160.08864	36.7
165.07002	4.7
166.07857	7.3
169.06476	6.3
169.52142	1.1
171.08096	6.6
171.11717	6.7
172.08844	4.5
173.09639	100.0
174.09958	1.6
176.02156	1.1
181.10132	7.0
181.26515	1.1
183.08067	9.6
183.11732	1.4
184.08868	34.3
185.09592	4.4
189.06944	1.7
189.09117	1.2
189.12793	2.7
197.06044	1.6
197.09621	5.1
199.11198	92.4
201.12741	3.3
209.09630	23.8
212.08333	15.4
217.08609	4.2
217.12242	3.4
224.59389	1.3
227.10686	59.5
245.11763	58.8
246.12013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1175
Annotation	Ferulin
Peak:m/z	Relative Intensity
52.54135	1.0
55.01874	1.3
66.42598	1.1
67.05470	1.1
69.03436	6.4
71.39230	1.7
73.71797	1.0
79.05515	5.3
91.05489	8.2
93.07056	3.9
95.04998	1.5
96.30161	1.1
97.02890	4.0
103.05460	2.5
105.07038	26.5
113.07502	1.0
115.05433	4.0
117.07043	1.8
119.04945	3.9
121.06516	4.5
128.06241	28.0
129.07016	17.4
130.07788	1.6
131.08577	10.2
133.06493	3.0
141.07014	11.1
142.07808	14.4
143.08577	98.6
145.06456	3.4
145.10127	4.5
147.08104	1.7
153.07001	3.8
154.07808	3.0
155.06055	2.4
155.08574	12.2
156.09367	50.3
157.06538	2.4
157.10138	8.4
158.07349	1.5
159.08002	2.5
160.08838	2.2
165.07040	13.8
166.07797	19.9
169.06487	2.1
169.10152	3.8
171.08032	4.1
171.11716	100.0
173.09656	7.4
181.10147	28.7
183.08044	1.7
184.08855	7.6
185.09575	1.7
189.12805	1.1
199.11206	41.2
209.09601	5.2
217.12198	1.3
227.10681	16.0
245.11754	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	245.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01860	2.2
55.05502	2.9
55.24410	1.1
56.05029	2.6
56.96576	27.0
57.03429	3.3
57.07053	1.3
58.06594	2.3
58.99848	2.2
61.02919	1.8
67.05495	2.7
68.05042	9.0
68.98294	1.5
69.03432	9.5
69.07066	1.3
69.81177	4.8
69.81587	2.7
69.90135	1.1
70.06590	8.5
70.98109	3.3
70.99824	1.6
71.04987	3.1
71.95258	2.9
72.08145	3.8
73.02895	4.5
74.02451	1.5
77.00903	3.0
79.05466	3.1
81.03427	8.0
81.07067	2.5
82.06572	1.5
82.99857	2.9
83.04975	5.3
84.04509	8.4
84.08145	9.7
84.96038	2.8
85.02919	12.8
86.06078	44.5
86.09737	7.6
86.99348	1.8
88.07609	1.5
88.99146	1.5
91.03972	1.4
91.05466	1.2
94.06509	1.2
95.04971	2.0
97.02898	13.1
98.06047	2.1
98.97599	18.6
99.04463	3.6
100.07592	3.2
101.00887	32.8
101.07900	1.5
103.00626	1.9
103.02446	2.5
105.00397	1.9
105.07015	1.9
107.01440	1.3
107.05026	1.3
108.56475	1.2
109.02854	3.1
110.07177	1.5
110.97584	1.6
111.04428	1.8
112.05096	2.0
113.00855	4.3
115.02422	4.7
116.07077	3.6
116.98618	12.0
117.06993	1.5
119.01937	90.7
120.02006	2.1
121.01638	5.4
121.03459	2.5
123.04434	1.9
123.81993	1.3
124.07514	1.7
124.95464	1.6
126.03752	1.5
127.02451	2.2
127.03906	4.7
128.98619	2.7
129.04005	2.3
129.10243	1.7
130.04973	4.1
130.08607	1.4
131.00081	1.4
131.01920	21.3
132.02049	1.5
132.06595	15.1
133.01630	2.5
133.03500	9.1
134.99683	8.0
137.02962	18.0
139.02489	5.0
139.03918	2.2
141.03850	1.7
142.03348	1.6
142.96541	3.3
143.01917	28.5
145.01711	1.8
145.03482	24.4
145.05055	2.3
147.01352	2.0
147.05017	2.4
149.01131	1.7
149.02937	3.3
150.88106	1.2
151.04497	1.5
153.00725	1.5
155.01900	18.0
156.02678	4.4
157.01581	1.4
157.03477	24.3
158.99651	1.9
159.01425	1.9
159.04993	4.4
161.02974	73.1
163.02771	1.6
163.04506	4.3
165.05608	1.9
167.01903	4.5
169.03484	3.7
170.96016	2.0
171.04997	1.3
173.01495	1.9
173.02979	24.5
173.06445	1.6
175.03053	1.8
175.04552	13.0
177.00632	2.3
177.06058	2.3
179.01915	1.7
179.04013	4.5
181.03603	2.2
183.04939	1.8
184.04533	3.1
184.97612	1.8
185.01315	2.6
185.02957	28.8
186.02988	1.9
187.04532	9.3
188.97090	9.8
189.06039	1.4
191.04036	7.7
193.00215	2.6
197.02974	13.5
198.59999	1.9
199.00836	2.2
199.04350	5.3
201.06087	4.7
202.98703	3.1
203.02193	6.7
203.04012	40.0
203.07243	1.4
205.03647	1.5
206.98187	8.2
215.03978	7.8
217.05452	5.2
220.99649	2.2
221.03391	2.0
221.05112	20.9
227.03896	3.7
227.13916	1.7
230.98044	1.7
233.05052	4.2
245.04950	100.0
245.11301	24.6
245.15053	2.6
246.05247	1.8
263.03189	2.6
263.06073	14.1
264.89984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2063
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
55.05502	3.2
55.49321	0.7
57.07075	1.2
58.06605	5.6
65.03946	0.6
67.05509	3.7
69.07068	6.2
70.06566	1.3
71.05505	1.7
79.05503	4.1
81.07065	10.1
82.06570	1.1
83.08624	1.7
84.08150	7.9
91.05486	16.3
93.07059	7.7
95.08617	8.6
96.08137	2.8
98.09713	9.2
105.07040	20.9
107.08615	6.1
108.08104	1.9
109.10155	3.0
110.09692	15.0
117.07040	2.4
119.08584	9.6
120.08136	0.8
121.10148	9.6
122.09659	2.1
123.11731	1.0
124.92948	0.7
128.92946	0.7
129.07004	1.9
131.06395	0.7
131.08595	11.8
133.10139	5.1
134.09673	1.0
135.08022	1.0
135.11729	0.9
136.11201	1.5
142.07811	0.9
143.08549	2.7
145.10124	12.5
146.09639	2.0
147.10530	1.9
147.11700	28.0
148.11188	2.0
149.13211	0.9
156.09262	0.9
157.10129	1.5
159.10506	0.9
159.11696	4.0
160.08783	1.2
160.11203	1.0
161.13260	4.5
162.12793	6.4
163.13553	1.4
164.14429	1.0
171.11702	2.6
173.09596	2.6
173.13249	0.9
175.14822	1.2
181.10106	1.4
184.08849	1.2
185.13354	1.1
186.12718	1.0
187.13403	0.8
187.14856	9.7
188.14406	2.3
199.11235	4.1
200.14395	1.2
202.15874	4.2
203.17967	10.2
216.17482	2.5
227.10692	2.3
227.18022	0.8
229.18239	0.8
244.20625	100.0
245.11731	4.7
245.20882	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05504	1.6
60.05650	11.6
67.05491	1.0
69.03406	1.0
69.07071	30.0
70.06207	0.6
70.06593	12.5
71.04997	35.1
71.57568	0.8
72.08156	0.6
79.05502	0.6
81.03416	0.9
82.06566	0.7
83.04975	1.2
85.02898	0.7
86.09715	0.9
88.07655	2.9
90.60229	0.5
91.05491	1.6
92.05835	0.9
95.04990	0.9
98.97585	4.7
99.04447	2.3
105.07042	2.2
107.08598	0.6
109.06559	0.7
115.05370	0.6
116.98595	2.7
117.05495	6.7
119.08600	2.9
123.08069	0.6
129.07018	0.9
130.09772	55.9
133.10175	1.0
134.08134	13.7
134.99725	0.9
135.08076	1.7
143.08534	0.8
145.06541	1.0
145.10112	0.8
152.07915	1.4
156.07385	0.9
158.07274	0.7
158.99710	2.7
159.07729	1.6
160.08807	0.8
161.13266	4.2
162.13680	0.9
173.09618	2.6
176.10313	66.3
176.55582	0.7
177.00722	1.7
181.08614	1.3
181.10129	1.2
182.05284	0.7
182.08891	5.2
191.04489	2.4
196.10680	0.7
198.16083	4.5
199.11189	3.3
199.55972	0.8
201.07852	1.1
212.08057	0.6
213.08755	0.7
223.09142	2.2
227.10699	2.5
227.14624	0.8
229.03741	1.8
229.07338	4.3
231.84894	0.6
235.03694	0.6
244.06145	1.9
244.09705	9.0
244.16583	100.0
245.04489	2.9
245.11786	1.5
245.16968	1.4
245.19620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.2
55.01877	14.0
55.05511	10.2
56.34096	3.1
57.03444	31.8
59.05022	3.7
61.02930	33.4
65.03927	6.3
67.05506	11.9
69.03435	91.5
70.06623	3.9
71.01344	8.0
71.04991	11.2
71.55027	3.0
71.55418	3.7
73.02930	30.9
75.04495	5.7
79.05513	19.9
81.03423	89.0
83.04988	42.2
84.04498	8.9
85.02910	81.7
86.09711	7.9
86.99337	3.6
87.04486	9.4
91.05478	8.5
95.04981	28.8
97.02901	100.0
97.06538	7.2
98.75054	3.4
98.97584	7.1
99.04456	32.0
100.02680	3.9
101.00896	19.1
101.02354	3.9
102.02433	4.4
103.03945	32.6
107.04977	17.8
109.02876	17.0
109.06551	6.8
111.04449	65.0
112.05096	4.2
112.76755	3.1
115.02510	3.7
115.03931	19.3
117.05502	7.5
119.01945	25.5
121.11075	3.0
123.02924	13.5
123.04440	20.8
125.02373	4.0
125.06004	5.8
127.03958	18.9
129.05482	17.2
131.01904	21.8
132.03445	8.6
133.03520	6.5
133.04987	4.2
135.04453	9.4
136.02083	3.8
137.05986	7.3
139.02263	3.2
139.03926	9.3
140.04713	34.5
141.03970	21.3
141.05453	14.3
143.01918	36.7
144.02078	3.5
144.03488	3.4
145.03477	8.5
145.05005	8.1
147.01414	7.8
147.05061	4.8
149.02849	10.3
150.04527	4.1
153.04010	8.3
153.05486	19.2
155.01874	21.7
155.07059	27.0
156.03502	3.6
157.03520	16.7
157.04930	6.5
158.03433	4.7
159.04028	11.3
159.06529	8.3
161.02945	30.4
161.05573	3.7
162.06329	4.0
163.04416	3.7
165.04002	14.6
165.05444	6.7
167.01964	9.0
168.01823	3.2
168.04536	13.9
169.03532	7.5
169.04991	6.0
171.06528	31.1
173.03001	25.3
174.04559	11.4
175.04567	4.9
179.01877	4.0
179.07005	3.8
180.04393	14.3
181.03636	3.8
181.05006	21.5
183.05017	13.1
185.02951	33.4
186.04477	8.5
187.04480	5.2
189.05093	10.2
191.04057	3.8
193.04990	8.8
195.06570	8.0
197.03033	16.5
197.08174	4.0
197.09991	8.2
197.12860	4.2
198.05585	22.5
203.04025	13.7
204.05617	7.0
207.06668	6.2
207.08655	14.0
209.03180	4.7
210.05536	3.5
213.06062	4.1
215.04066	13.3
215.51828	4.1
225.05937	5.1
225.09755	6.0
233.05025	7.2
234.06654	18.4
234.56799	3.7
243.04707	4.3
243.07028	12.0
243.10583	11.3
243.16275	5.2
245.05078	9.0
251.06163	7.8
263.06110	32.1
264.06445	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	243.1594
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.95573	1.1
55.05511	4.1
57.03446	1.1
59.05009	9.6
59.22460	1.0
61.02929	25.7
65.03926	1.7
67.05511	2.9
69.03078	1.4
69.03436	21.3
69.07074	3.3
71.04985	3.1
71.57893	1.8
76.73011	1.1
79.05502	6.1
81.03419	3.9
81.07062	8.2
83.04980	9.3
85.02898	2.3
85.06541	1.9
86.09713	2.4
87.04477	20.6
91.05487	3.3
91.39666	1.0
93.07050	9.8
95.05000	2.9
95.08604	8.4
97.02904	1.9
97.06522	6.0
99.04481	5.7
105.07054	8.4
107.08589	6.4
109.06547	3.9
109.10161	5.0
111.04454	3.6
111.08077	2.1
113.05981	1.6
117.07091	1.4
119.08573	5.8
121.10155	46.3
123.08080	12.4
123.11706	3.2
125.06001	1.4
125.09689	1.7
131.08572	1.4
133.07654	1.5
133.10323	1.1
135.04440	1.1
135.11711	1.7
137.06018	1.2
137.09627	3.8
137.13344	1.1
139.11191	100.0
140.04718	1.8
141.06989	1.3
141.09128	2.2
143.08577	2.0
144.08032	1.5
145.10144	2.5
147.11697	2.0
149.09679	6.7
151.07642	1.2
151.11188	1.4
153.05545	1.1
155.07039	3.7
155.08559	2.4
159.11722	1.7
161.13231	2.5
163.11208	7.1
165.12790	2.6
167.10696	3.8
169.08640	1.6
169.10115	1.8
169.12233	4.7
171.11746	1.2
173.09639	1.5
181.04953	2.5
181.12318	1.6
183.11659	2.2
189.12782	3.4
197.06017	2.1
197.09676	2.1
197.13176	1.2
201.09166	1.1
207.13824	12.7
215.07117	1.6
225.14822	5.3
243.06563	4.8
243.10342	4.6
243.13637	1.7
243.15796	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1019
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
53.03936	3.3
55.01878	4.5
55.05501	2.5
57.03426	1.4
63.59907	1.0
67.05512	7.7
69.03438	6.9
69.07063	2.1
71.56239	1.4
71.56623	1.3
77.38656	0.9
79.05492	8.6
81.03405	3.7
81.07043	4.7
83.04989	1.2
91.05487	16.5
93.07056	4.9
95.04979	14.0
95.08598	1.2
97.06528	3.0
98.10839	1.0
103.05453	4.1
105.07036	18.3
107.04964	7.0
109.02912	1.7
109.06520	1.9
111.04420	1.2
115.05460	8.2
116.06281	1.5
117.07020	12.7
119.04932	1.9
119.08567	5.0
121.06534	11.6
123.04417	1.3
123.08059	1.9
128.06232	9.8
129.07013	16.0
130.07750	3.6
131.04939	15.3
131.08582	15.5
133.06487	3.6
133.10129	3.4
141.06998	22.0
142.07767	5.4
143.08562	12.7
144.05705	1.9
144.09348	5.2
145.06502	15.7
145.10133	12.6
146.07288	2.6
147.04422	2.1
147.08098	2.1
147.11751	1.2
149.02325	1.2
149.05986	1.5
152.06221	2.7
153.07001	13.6
154.07800	22.5
155.04924	2.0
155.08562	15.1
156.09312	3.6
157.06543	6.6
157.10175	9.3
158.07292	9.6
159.04433	12.3
159.08063	19.5
159.11681	11.7
161.06033	2.3
161.09633	7.7
165.07031	4.9
166.07765	2.9
167.08563	5.7
168.05692	2.3
168.09335	11.0
169.06503	5.5
169.10135	30.4
170.07298	1.5
171.08107	9.1
171.11688	4.3
172.08830	16.5
173.05984	6.5
173.09647	21.8
178.07759	3.0
179.08575	10.2
181.06505	3.8
181.10123	3.8
182.07277	15.4
183.04486	2.0
183.08038	3.9
183.11726	23.1
185.06010	3.9
185.09662	4.6
186.06735	1.7
187.03802	1.4
187.07585	12.4
187.11183	30.5
189.09254	1.2
193.10085	2.6
196.08926	1.7
197.05997	3.9
197.09633	49.4
199.07506	5.1
199.11189	3.4
200.08337	13.7
201.05463	2.5
201.09113	16.3
210.06781	2.0
211.11150	7.8
213.09074	1.2
215.07179	2.9
215.10683	70.9
225.05629	1.7
225.09113	31.4
228.07796	4.7
243.10181	100.0
243.13701	5.8
243.17474	2.5
243.21159	1.6
244.10509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
51.02375	2.0
52.92250	1.7
53.03958	9.3
55.01854	7.3
65.03944	2.8
67.05502	11.6
68.37180	1.6
69.03436	8.5
69.07056	2.4
69.55447	7.2
69.55852	4.0
71.04990	2.1
79.05488	13.2
81.03424	10.6
81.07053	4.8
83.04965	2.1
91.05482	29.8
93.07058	16.1
95.04970	20.4
103.05457	5.9
105.03337	2.1
105.07039	49.6
107.04951	8.5
107.08589	1.8
109.02885	16.5
109.06518	2.8
111.04452	2.7
115.05463	13.5
116.06217	3.8
117.07034	18.3
119.04918	7.4
119.08578	7.3
121.06514	91.1
122.06886	2.0
123.04443	5.9
128.06221	17.5
129.07001	23.1
130.07774	6.4
131.04924	6.2
131.08582	35.8
133.06502	15.0
133.10124	7.5
135.08022	2.0
137.13040	1.9
141.06996	30.0
141.81871	1.7
142.07759	6.6
143.08572	22.6
144.05798	4.0
144.09360	8.4
145.06497	19.6
145.10138	15.8
146.07236	3.7
147.04416	4.5
147.08058	8.8
152.06204	3.6
153.07005	12.7
154.07780	39.9
155.07339	1.7
155.08546	12.4
156.09341	3.8
157.06508	8.5
157.10104	5.6
158.07285	12.7
159.04451	6.2
159.08081	27.1
159.11693	27.1
161.05978	4.2
161.09645	4.9
165.05536	3.0
165.07001	6.0
166.07808	2.4
167.08527	8.7
168.05771	3.1
169.06485	7.6
169.10130	49.9
170.07172	2.6
171.08041	21.0
171.11696	7.0
172.08842	11.9
173.05998	6.4
173.09628	16.9
178.07780	6.7
179.08548	17.4
181.06468	7.1
181.10237	2.2
182.07295	22.2
183.08011	4.5
184.08949	2.2
185.05922	2.6
185.09641	5.2
187.07585	21.2
187.11188	35.8
189.09026	2.0
197.05978	2.6
197.09628	67.1
199.07527	3.5
199.11130	3.6
200.08266	5.9
201.09117	11.3
207.61401	1.7
210.06645	1.9
214.63472	1.7
215.07047	5.4
215.10687	77.1
215.12729	4.1
216.10950	1.9
225.09129	33.0
228.07707	3.1
243.06470	3.9
243.10172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.23204	0.8
53.03938	3.4
54.23870	0.9
55.01862	1.6
61.02929	10.3
65.03947	5.6
67.05496	4.8
67.15112	0.9
69.03433	2.2
69.82853	3.4
69.83270	1.9
73.60003	0.9
77.03921	1.4
79.05475	5.5
81.03432	1.5
81.07052	3.7
82.04187	2.3
85.02898	3.8
86.09621	0.9
91.05488	14.8
93.03422	2.4
94.04182	2.6
95.04974	14.4
97.02881	1.8
97.06495	1.9
98.21445	1.3
105.03395	2.3
105.04513	0.9
107.04947	9.2
109.06522	15.4
110.03651	3.9
111.04422	1.8
113.08030	0.9
119.04958	6.3
121.06538	1.7
122.03689	1.1
123.04426	17.0
125.02352	6.5
125.05973	2.5
133.02853	12.5
135.04414	3.6
137.05986	25.2
138.03104	2.3
140.04689	100.0
142.02600	3.7
146.03667	1.4
147.04405	7.4
151.05222	0.9
152.04680	2.6
153.05449	4.1
155.07039	90.8
163.03912	3.4
165.01779	1.1
165.05481	20.6
167.07037	1.9
171.06529	4.9
173.08125	4.8
179.07054	12.0
180.04185	17.3
181.04968	76.4
183.06535	4.3
183.32611	1.0
184.03577	1.2
192.04193	1.7
193.04971	25.2
195.06548	11.8
197.08084	9.4
207.06535	25.9
225.07607	19.0
243.08609	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	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03951	2.5
61.02931	9.1
61.51480	1.0
63.90768	1.0
65.03947	8.2
67.05502	3.6
69.03426	1.2
70.99866	1.5
71.03110	1.2
79.05508	6.0
81.03436	1.5
81.07062	4.0
82.04205	2.3
85.02908	4.6
91.05492	14.0
93.03411	2.2
93.89845	0.9
94.04174	2.2
95.04983	14.1
97.02899	1.0
97.06575	1.4
103.05468	1.2
105.03407	3.6
107.04978	8.6
108.02080	1.9
109.06518	13.2
110.03674	3.6
111.04440	1.9
119.04942	5.9
121.06525	1.2
122.03628	2.3
123.04435	17.0
125.02351	6.6
125.06004	2.9
133.02863	11.9
135.04434	4.0
137.05986	22.1
138.03140	2.1
140.04697	100.0
142.02629	1.8
146.03586	1.6
147.04424	6.4
152.04686	2.0
153.05476	4.9
155.07043	86.2
160.41168	1.1
163.03912	2.7
164.04858	1.2
165.01897	1.2
165.05489	18.6
167.07059	1.4
171.06554	3.8
173.08073	4.9
179.07080	9.5
180.04192	15.4
181.04980	69.6
183.06612	2.9
184.03697	1.3
193.04982	25.7
193.06715	1.7
195.06549	12.4
197.08058	7.1
207.06554	23.5
221.37671	1.0
225.07613	20.7
243.08665	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	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.8
57.03417	1.0
69.03433	1.2
69.92117	1.3
69.92512	2.7
81.03424	1.0
84.08126	2.3
84.96024	1.0
85.02943	1.2
96.08092	0.8
98.21483	1.5
98.97584	9.7
98.98463	1.6
101.00891	4.2
109.02876	1.0
110.07165	1.4
116.98633	6.3
119.01936	13.5
125.33449	0.7
127.80827	0.8
131.01939	1.0
134.99739	2.7
136.99077	1.0
137.02905	2.3
138.96410	0.9
147.96964	2.6
154.16719	0.8
154.94165	1.3
155.00121	1.2
156.97508	5.5
157.03456	1.0
157.47519	0.9
158.97282	4.4
158.99901	2.4
168.97469	3.0
172.95279	1.5
176.96686	1.1
176.98349	3.1
177.00958	21.2
177.96573	0.9
177.98010	2.9
179.99022	1.0
185.96983	1.9
186.47104	1.3
189.98019	3.6
191.97415	0.9
196.94531	1.1
197.00594	1.0
197.47827	2.7
197.98032	0.9
200.98160	1.8
201.00815	2.1
201.02490	1.1
210.98553	2.4
214.96384	7.5
215.01656	0.7
216.94765	2.1
217.04059	2.3
218.99689	1.3
219.02003	25.4
219.97000	1.4
219.99059	6.6
220.02161	2.3
220.49176	1.3
225.00742	1.5
225.95299	0.9
226.95013	1.1
228.45239	1.2
228.99608	2.7
232.96651	3.5
237.45724	0.9
237.97183	4.5
238.03423	1.1
241.67523	0.9
242.95935	1.5
243.01958	9.2
246.98155	0.8
255.98239	1.9
261.03085	100.0
262.03204	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.18
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.03941	2.6
55.01870	15.1
55.05505	19.7
57.03436	5.5
57.07067	6.0
59.04985	3.2
67.05509	37.5
69.03429	14.3
69.07069	19.3
69.90794	14.6
71.04990	17.3
71.08620	2.7
79.05495	28.7
81.03408	7.4
81.07060	73.9
83.04980	29.9
83.08612	11.6
83.91236	2.8
85.06541	7.4
86.96028	2.9
91.04987	2.5
91.05488	33.6
93.07043	46.7
95.04962	7.4
95.08609	66.7
97.02892	6.5
97.06515	10.8
97.10167	9.1
98.21412	3.6
99.04453	9.5
99.08141	3.9
101.06022	30.4
105.06383	4.7
105.07034	54.6
107.04942	2.9
107.08595	40.4
109.06522	6.5
109.10162	42.5
111.04422	5.2
111.08081	7.5
113.05966	5.7
115.05424	3.4
115.07558	12.5
117.07019	11.6
119.08585	40.9
121.06522	5.0
121.10152	35.3
123.08059	7.3
123.11720	35.8
127.07580	4.4
128.06224	4.5
129.07007	8.2
131.08575	17.0
133.10150	17.4
135.08099	4.8
135.11661	13.7
137.13245	4.5
141.07150	3.0
141.09077	5.3
141.54114	2.8
142.07794	5.6
143.08533	13.4
145.06447	3.3
145.10115	32.8
147.07942	2.5
147.11687	32.9
148.05161	6.4
149.13269	13.0
151.11200	6.4
152.06186	4.1
153.06998	5.9
153.09126	3.4
156.09328	2.9
157.10149	15.4
159.11693	14.1
161.13274	11.4
163.11194	4.1
163.14862	3.9
165.07011	11.6
165.12787	7.4
166.06509	2.6
166.07738	12.2
167.08582	7.4
169.10114	5.0
171.08101	4.0
171.11681	10.9
173.13188	2.7
175.14778	12.5
177.05438	5.0
177.12778	3.1
177.16403	5.5
179.14320	28.9
180.05754	2.6
181.06465	6.1
181.08591	26.7
181.10136	18.3
181.12074	3.9
183.11685	5.8
183.13861	3.9
185.09679	7.5
185.13254	11.1
187.14851	16.2
192.07852	10.5
193.15895	7.6
195.08110	4.7
195.11778	3.8
197.13326	6.1
198.06752	5.1
199.11182	4.9
199.14793	6.7
205.12263	10.5
205.15904	12.1
209.09898	2.5
213.05367	3.3
213.09186	5.4
213.12711	2.9
213.16432	4.4
223.09547	5.2
223.13329	7.5
223.16942	100.0
223.64546	2.6
224.17322	3.7
226.06236	7.5
241.04863	4.5
241.08673	19.4
241.12350	15.5
241.15817	22.8
241.17981	31.3
241.19934	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	241.1799
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.03957	3.0
55.01870	9.0
55.05514	11.5
57.03448	2.6
57.07071	2.1
67.05511	29.3
68.22633	1.7
69.03432	5.1
69.07076	18.5
69.48272	11.9
71.04989	9.4
75.95090	1.8
79.05496	27.0
81.07065	58.0
81.47058	1.9
83.04988	23.6
83.08622	6.5
85.02896	2.8
85.06542	4.6
91.05481	23.3
93.07045	31.8
95.04974	5.5
95.08607	54.0
97.06538	6.5
97.10189	4.2
99.04477	6.9
101.06020	27.5
105.07040	44.5
107.08599	31.2
109.06523	3.9
109.10165	32.2
109.10847	3.4
111.08096	6.3
113.06020	4.5
115.05460	2.3
115.07571	8.4
117.07009	9.5
119.08588	31.5
121.06536	3.4
121.10148	20.2
123.08106	3.4
123.11723	27.0
125.06033	3.1
125.09687	2.0
127.07521	3.1
129.07007	3.3
131.08578	18.1
133.10143	16.3
135.11734	10.4
137.09575	3.3
139.07555	2.1
141.09149	4.9
142.07811	3.6
143.08542	3.9
145.10135	28.0
147.11705	26.7
149.13303	10.6
151.11166	4.8
155.08615	3.1
157.10156	4.6
159.11732	9.9
161.13255	13.6
163.11259	2.5
163.14812	2.6
165.12776	5.4
171.11734	4.9
175.14799	13.1
177.05502	2.4
177.16446	3.4
179.14304	18.3
181.08632	14.0
183.11610	1.9
183.13951	2.2
185.09576	3.3
187.14764	18.1
192.07884	7.2
193.15916	5.9
198.06491	2.3
205.15921	12.1
223.09645	5.2
223.16939	100.0
224.17340	3.0
226.06230	3.4
241.05014	5.4
241.08574	9.4
241.12279	3.8
241.15845	4.1
241.17728	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1799
Annotation	Chokol F
Peak:m/z	Relative Intensity
55.01868	9.3
55.05515	14.7
55.95678	2.6
57.03449	4.8
57.07077	3.2
67.05511	26.9
69.03429	7.1
69.07066	8.8
70.72387	7.3
71.05000	13.3
79.05511	22.4
81.07068	55.9
83.05000	23.4
83.08622	6.8
85.06548	4.7
88.18593	2.5
91.05479	20.4
93.07059	27.3
95.04971	5.5
95.08610	48.5
97.06533	3.9
97.10181	6.9
97.28234	2.1
99.04444	3.9
101.06020	28.4
101.30964	2.4
105.07035	38.8
107.08599	25.6
109.06548	7.0
109.10157	30.0
111.08099	4.2
113.06001	3.1
115.05437	3.4
115.07570	10.6
117.07027	5.8
119.08609	29.7
121.10149	20.7
123.08060	4.5
123.11723	27.8
127.07571	3.9
128.01822	2.9
128.06020	2.4
129.61238	2.3
131.08583	15.2
133.10178	14.1
135.08072	3.7
135.11693	7.8
141.09142	7.8
142.08699	2.8
143.08582	2.9
145.10101	21.9
147.11714	27.0
149.13293	9.8
151.11143	4.0
153.32387	2.7
157.10187	2.9
159.11697	8.1
161.13237	14.9
163.11185	2.6
163.14879	3.2
165.12762	5.9
167.08595	2.9
175.14841	15.3
179.14330	16.8
181.08604	7.7
181.10048	3.1
185.13182	3.3
187.14764	13.8
192.07907	4.4
193.15921	8.1
205.15872	11.4
211.16951	3.0
213.09070	4.3
223.16943	100.0
241.05080	12.2
241.08597	9.8
241.12267	4.5
241.15855	5.0
241.17767	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.75178	0.3
56.96564	0.3
57.03417	0.3
57.38926	0.2
58.06604	17.5
63.27185	0.2
69.03419	0.3
69.70847	0.2
69.85983	0.2
70.06599	3.4
71.04980	0.3
71.54217	0.4
72.08148	0.5
75.70802	0.2
76.88960	0.2
81.03402	0.7
84.08149	10.2
85.02924	0.4
96.08114	1.4
97.02897	0.6
98.03191	0.3
98.09692	1.3
99.93598	0.2
100.07607	0.4
101.00903	0.3
104.10739	0.4
108.96376	0.2
114.05513	0.5
114.09164	1.5
116.07083	0.6
119.01920	0.3
126.05509	0.4
126.09124	0.5
128.10732	3.6
131.01903	0.6
133.03508	0.3
134.05995	0.2
144.10182	1.3
152.07112	0.3
168.10280	1.3
196.09700	5.9
198.98634	0.3
213.15877	0.4
224.07584	0.3
241.15483	100.0
242.08542	0.4
242.15732	1.3
260.09821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.155
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.16479	0.2
53.03942	0.3
55.05510	0.3
56.11506	0.2
56.96554	0.5
57.03420	0.3
58.06603	17.7
61.02921	0.3
66.51411	0.2
67.05489	0.3
69.03413	0.5
69.86468	0.7
69.86879	0.5
70.06253	0.3
70.06600	3.6
70.35934	0.2
72.08151	0.6
73.06561	0.3
75.71534	0.2
81.03408	0.5
84.08148	9.9
85.02905	0.6
85.06540	0.6
95.83916	0.2
97.02884	0.6
98.06081	0.4
98.09708	1.6
98.21443	0.4
98.97598	1.2
99.04462	0.2
100.11231	0.4
103.86803	0.2
105.99212	0.2
114.05542	0.4
116.07161	0.3
116.98618	0.5
119.01913	0.5
124.04745	0.4
126.05512	0.4
126.09175	0.4
128.10721	3.5
134.06012	0.7
144.10205	1.3
148.05138	0.2
152.07072	1.6
152.10674	0.4
155.04692	0.7
160.06535	0.3
161.02974	0.4
163.08612	0.3
168.10225	1.1
177.11040	0.3
181.08545	1.1
192.07816	0.7
195.12083	0.8
196.09711	5.9
213.16060	0.5
241.15482	100.0
242.10217	0.8
242.15788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
53.87519	0.6
55.01882	0.7
55.72255	0.6
67.05489	1.0
68.99781	0.7
69.03428	1.5
70.06614	0.6
70.87297	1.1
73.02904	1.2
74.09987	0.6
79.05502	2.4
81.07089	0.8
83.04962	1.0
91.05495	5.3
93.07046	1.8
95.04987	1.5
97.02900	1.1
103.05469	2.6
105.03414	0.6
105.07024	1.9
107.04946	3.3
107.08524	0.7
109.06542	1.8
110.75664	0.6
118.04112	0.6
119.04943	1.3
120.05723	1.9
121.06522	7.8
123.04422	2.3
123.08064	1.0
127.04025	0.7
131.04926	1.0
133.02863	1.1
133.06525	1.2
134.07294	0.8
135.04405	2.1
135.08054	1.9
136.05220	2.8
137.06003	6.8
137.09691	1.2
138.06749	2.4
139.03961	0.8
145.02811	1.0
147.04411	2.4
148.05211	17.7
149.06003	11.0
150.06752	1.6
151.03931	2.8
151.07578	6.2
152.08273	0.7
153.05498	0.7
154.06267	7.3
160.05249	1.1
161.05981	1.3
162.06781	2.0
163.07544	4.3
164.08360	8.1
165.05489	6.8
165.09161	1.9
166.06282	3.7
167.07063	2.6
169.08644	2.1
177.05492	31.8
178.06235	0.8
179.07022	4.5
180.07829	6.5
181.08609	100.0
182.09048	0.8
190.06265	2.1
191.07022	4.7
192.07831	71.7
193.04971	2.8
193.08530	2.0
194.09497	0.7
195.10179	7.2
208.07304	4.1
211.09685	1.0
223.09676	27.7
226.08325	0.7
241.04987	1.4
241.08600	1.1
241.10789	4.1
264.18103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1072
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03947	0.7
65.03953	0.7
69.90455	2.6
73.02910	0.5
76.06412	0.5
78.04762	0.5
79.05485	1.5
91.05495	3.4
98.21387	1.1
105.07047	1.1
106.04218	0.7
107.04975	1.3
109.06507	1.4
119.04915	1.0
120.05744	1.1
121.06516	5.5
123.04447	2.4
133.02856	0.7
133.06520	0.9
135.04425	1.5
135.08093	1.4
136.05193	1.6
137.06004	5.7
137.23424	0.6
138.06779	2.1
139.03909	1.1
146.37367	0.6
147.04333	0.6
148.05200	17.6
149.06007	6.6
150.06792	1.3
151.03958	2.1
151.07556	4.0
153.05521	0.7
154.06250	6.0
156.22467	0.5
161.06032	1.2
162.06860	0.7
163.07536	2.1
164.08344	5.9
165.05496	4.3
165.09131	1.5
166.06271	3.6
167.07059	1.9
169.08609	2.1
176.04665	0.7
177.05487	19.7
179.07016	2.9
179.52562	0.5
180.07851	3.7
181.08607	100.0
182.08849	0.6
186.37892	0.7
190.06227	0.9
191.07071	3.1
191.53322	0.6
192.07828	43.2
193.05005	1.9
193.08559	0.9
194.09250	0.6
195.06621	0.7
195.10197	6.0
196.07402	0.6
199.43907	0.6
208.07382	2.2
223.09657	19.0
226.08441	0.6
241.10719	5.0
253.29715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2371
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03963	1.2
55.05518	22.5
57.07081	100.0
61.66775	0.6
65.03950	2.1
67.05512	51.8
69.07076	23.7
71.05003	1.3
71.08638	62.4
74.81023	0.7
79.05488	5.1
81.07064	56.5
83.08627	29.2
83.09121	1.3
85.06558	3.5
85.10194	30.0
89.06032	0.7
91.05468	0.7
93.07070	3.5
95.08615	71.3
97.10178	13.4
97.10766	0.9
99.08135	1.4
99.11744	0.8
105.07063	0.7
107.08625	1.1
109.10165	24.0
111.11772	1.1
119.08601	0.7
120.11828	0.6
123.11700	8.2
123.12431	0.6
130.72717	0.6
133.10124	0.7
137.13315	2.9
155.08557	1.1
165.07039	0.9
169.10246	0.7
183.11734	1.5
195.11838	0.7
221.18874	0.7
239.14432	1.5
239.17961	3.5
239.23787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01865	1.2
55.05516	7.2
57.03430	1.0
57.07069	2.2
67.05172	1.1
67.05505	11.8
69.06721	1.1
69.07070	15.9
71.04994	1.9
71.56152	0.6
79.05511	3.7
81.07060	27.2
83.04974	1.0
83.08636	4.1
85.06551	1.0
89.06018	0.9
91.05512	3.4
93.07044	6.2
95.04969	2.0
95.08610	19.5
97.06535	4.4
97.10184	6.5
99.04465	1.0
99.08087	0.9
105.07032	5.1
107.04968	0.9
107.08598	7.9
109.06509	1.7
109.09459	1.4
109.10161	18.6
111.08086	4.8
111.11744	3.2
119.08583	5.5
121.06545	0.9
121.10138	5.5
123.08077	1.5
123.11716	11.5
125.09660	4.8
131.08546	1.3
133.10115	4.9
135.08052	2.9
135.11702	2.8
137.09688	0.9
137.13254	3.9
139.11159	1.6
140.93376	0.7
141.06999	1.0
145.06548	0.8
145.10135	1.0
147.11720	6.9
149.13229	1.9
151.11241	1.1
153.06944	0.7
155.08568	3.7
157.10172	0.7
159.11713	1.1
161.09648	0.7
161.13263	4.9
163.14854	8.7
165.07021	0.9
165.12746	1.0
167.07092	1.0
167.08519	0.8
168.09372	0.9
169.10133	2.9
175.14813	1.5
177.87683	0.7
178.07738	0.8
181.10176	1.1
183.08025	2.1
183.11688	2.3
193.10287	1.0
193.12100	0.8
197.13213	1.8
203.17944	6.6
211.07550	3.4
211.11078	0.7
221.19025	100.0
222.19344	1.2
239.06958	4.4
239.10825	2.0
239.14316	3.0
239.17978	4.3
239.20105	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	239.2008
Annotation	Pleocarpenene
Peak:m/z	Relative Intensity
53.03947	0.9
55.01872	0.6
55.05516	6.2
57.03410	0.7
57.07064	1.1
57.55709	0.7
67.05167	0.9
67.05510	11.8
69.03414	1.0
69.06724	1.0
69.07075	15.7
71.04975	1.8
71.57384	0.8
79.05481	4.3
81.06587	1.3
81.07065	24.4
83.04984	0.7
83.08633	3.5
85.06554	0.6
89.71839	0.5
91.05479	1.6
93.07041	5.7
95.04967	2.0
95.08611	17.3
97.06548	4.6
97.10186	5.1
99.08112	0.6
100.79026	0.5
105.07043	5.8
107.08606	7.9
109.06547	1.3
109.10168	16.2
111.08100	4.0
111.11714	3.9
119.08582	4.7
121.10158	4.4
123.08095	1.2
123.11729	10.7
125.09643	4.8
127.07554	0.5
129.07008	0.7
133.10158	3.7
135.08043	1.3
135.11691	2.5
137.09593	0.7
137.13263	3.7
139.11163	2.1
143.08530	0.7
145.10178	0.8
147.11694	5.8
147.38391	0.6
149.13223	0.8
151.11183	0.8
155.08530	1.9
161.13260	3.7
163.14848	9.1
165.06985	1.1
165.12791	0.6
169.10115	1.4
175.14848	1.3
180.09315	0.7
183.08131	1.0
183.11711	1.3
185.31693	0.5
197.13268	1.3
203.17993	5.0
211.07605	2.7
214.07581	0.6
216.26376	0.6
221.19023	100.0
222.19350	1.9
239.07040	1.8
239.10765	1.3
239.14282	1.4
239.18022	2.1
239.20081	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05510	14.4
57.07067	6.2
59.04994	2.9
60.43661	1.5
67.05512	25.4
69.03430	4.0
69.07069	22.6
70.06564	1.7
71.04995	4.3
71.56438	2.7
77.78024	1.6
79.05489	12.7
81.07061	51.1
83.04974	1.8
83.08622	8.5
85.06541	5.9
91.05469	15.0
93.07043	27.9
93.93794	1.6
95.04981	3.2
95.08609	96.5
97.06502	2.6
97.10144	4.8
99.08092	3.3
103.05462	1.7
105.07029	60.8
107.07861	3.0
107.08595	48.1
109.06513	6.0
109.10160	42.8
111.08073	2.8
112.39901	2.1
119.08587	56.8
121.10152	32.8
123.08041	1.8
123.11711	20.5
125.09610	3.4
131.08617	2.6
133.10123	29.5
135.08093	1.9
135.11688	17.9
137.09605	5.9
137.13280	4.6
139.11171	3.3
145.10094	3.9
147.11693	69.5
149.13260	11.5
151.11166	7.3
152.06244	3.0
153.06955	5.8
155.08556	2.8
159.11687	4.5
160.12390	2.5
161.13258	23.4
163.14828	19.7
165.06989	3.1
165.12762	7.0
168.05806	3.0
169.10078	2.3
173.13193	1.7
175.14850	5.7
177.16411	24.8
181.06558	2.7
183.08022	4.5
190.15665	1.7
196.05307	1.9
197.13266	2.0
203.17969	100.0
204.18274	2.8
209.06114	2.6
211.07545	6.0
211.11208	2.3
221.15405	4.8
221.19008	41.3
224.08148	2.9
239.07039	31.3
239.10728	9.3
239.18031	2.4
239.20041	14.4
246.11638	1.7
246.57797	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01875	2.0
55.05510	8.9
57.07062	2.4
60.23056	0.8
65.50784	0.9
67.05508	13.0
69.07070	22.0
70.03616	4.2
70.86298	0.8
71.05001	1.6
79.05512	4.7
81.03378	0.8
81.07064	35.8
83.04990	1.8
83.08624	5.7
85.02935	1.1
85.06554	3.0
91.05470	4.1
93.07049	11.6
95.04976	1.6
95.08614	25.0
97.06561	5.1
97.10154	6.7
99.08109	1.5
101.90446	0.9
105.07040	9.5
107.08595	11.9
109.06499	1.2
109.10167	21.1
111.04348	0.9
111.08090	6.6
111.11717	4.9
117.06993	1.9
119.08588	10.4
121.10134	6.3
123.11716	19.4
125.09648	7.3
129.07024	2.3
131.08598	1.0
133.10132	5.9
135.08081	1.1
135.11687	3.7
137.09653	3.8
137.13242	4.3
139.11171	2.0
141.06993	2.6
143.08568	2.0
145.10130	3.1
147.11717	6.9
149.09666	1.1
149.13248	2.1
151.03893	1.6
151.11140	0.9
153.06938	0.9
154.07784	1.0
155.08569	4.4
157.10179	2.2
159.11757	2.1
161.13284	8.8
163.11176	1.4
163.13579	1.1
163.14830	9.8
165.06923	0.9
165.09167	2.7
165.12839	1.9
167.08585	1.0
168.09372	1.0
169.10112	5.2
171.11728	2.7
175.14825	2.4
175.71007	0.9
177.12608	1.1
179.14366	1.9
181.10165	1.5
182.10954	1.1
183.11720	7.1
185.13298	1.3
193.15906	1.4
195.11671	1.4
197.09598	1.1
197.13301	5.1
203.14349	3.6
203.18016	7.5
211.07605	1.2
211.11163	1.7
211.14954	1.3
221.15414	8.1
221.19025	100.0
222.19371	1.5
239.08806	1.4
239.10808	1.9
239.14241	2.5
239.17969	9.6
239.20105	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	239.1643
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03939	2.5
55.01883	3.3
55.05513	13.3
57.03442	3.2
57.07075	5.8
59.05002	5.7
67.05511	20.4
69.03440	4.4
69.07073	35.4
71.04996	24.5
71.08645	1.9
79.05502	14.9
81.03419	2.3
81.07064	43.0
83.04987	6.0
83.08632	6.4
85.02950	2.0
85.06544	4.6
87.04485	1.7
91.05489	19.0
93.07049	29.0
94.07388	1.5
95.04971	7.9
95.08618	41.7
96.08944	2.5
97.06535	13.8
97.10181	4.7
99.04472	3.6
99.08101	5.2
99.96019	1.4
105.07037	35.6
107.04948	3.0
107.08596	39.6
109.06532	10.0
109.10165	25.3
111.04477	1.4
111.08099	3.9
115.05461	1.5
117.07058	3.7
118.00840	1.5
119.04935	1.4
119.08598	30.1
119.09453	1.6
121.06512	4.6
121.10159	16.3
123.08085	19.0
123.11714	11.7
125.09692	3.7
127.07576	3.0
128.06226	1.4
131.08574	4.7
133.06529	2.6
133.09221	2.4
133.10149	22.5
133.11121	2.7
135.08058	16.2
135.11690	10.0
136.12045	2.9
137.05971	3.4
137.09637	9.0
137.13290	5.9
139.11163	2.0
141.06970	1.9
141.09175	1.6
143.08574	8.2
145.10118	6.6
147.08034	7.3
147.11699	14.9
149.09656	3.7
149.13287	1.9
151.07620	3.3
151.11195	13.4
151.14871	6.4
154.07866	1.4
155.08574	4.6
157.10170	3.1
159.11693	3.8
161.09641	19.2
161.13322	10.9
163.11221	7.9
165.07053	2.4
165.09196	2.8
165.12767	2.7
167.08536	2.2
168.09322	1.7
169.06447	1.4
169.10126	4.2
175.11301	2.7
175.14888	17.0
177.12743	2.1
179.07088	1.9
179.10736	3.5
179.14323	60.4
181.06503	2.7
183.08102	3.9
183.11720	5.5
185.13286	8.0
193.10161	2.2
193.12265	2.5
193.15909	15.0
196.05231	1.5
197.09689	2.6
197.13271	2.0
199.51065	1.4
203.14325	26.2
203.17819	2.9
211.07564	5.1
211.11212	3.2
221.11801	4.6
221.15376	100.0
224.08249	1.9
229.51149	1.4
239.06978	14.0
239.08685	2.3
239.10922	8.3
239.14296	4.5
239.16302	41.7
239.18312	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	238.1077
Annotation	Funebral
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	0.5
55.05496	0.9
56.96544	1.6
61.01119	0.6
62.02376	0.4
69.03406	1.4
69.07052	0.8
70.06579	1.2
70.31192	0.8
70.31558	1.5
71.04990	0.5
71.19640	0.4
72.08144	0.8
79.05490	0.5
81.03419	0.8
81.07056	0.5
84.04469	0.5
84.08125	1.3
85.02899	0.9
85.06528	0.8
91.05489	4.4
95.04974	0.6
97.02895	1.1
98.97579	1.0
103.05448	0.6
105.06997	1.3
106.06538	1.4
107.04937	1.6
111.04446	0.7
114.05550	0.6
114.31118	0.5
115.05466	4.2
116.98605	1.1
117.07036	6.2
118.06528	1.6
119.01945	0.6
119.04955	3.2
127.03921	0.6
131.01891	0.6
132.08127	0.8
133.06487	1.5
134.99635	0.5
135.04477	1.0
136.93111	0.6
137.06003	4.5
139.03899	0.7
143.04921	5.3
144.05655	0.7
145.06500	7.5
146.05978	2.8
146.09674	0.6
147.04361	0.8
147.06351	1.3
150.05499	0.9
150.09167	0.6
151.07550	11.8
154.94182	1.5
160.05226	3.9
160.07562	0.9
161.03079	0.5
161.05995	6.6
162.06836	0.5
163.06319	10.9
163.07547	0.7
164.07076	35.5
166.04918	0.6
167.07010	0.8
171.04469	0.7
172.95255	2.0
173.02911	0.7
175.07558	14.9
176.07042	1.1
177.07771	0.7
177.09099	4.6
178.08646	100.0
179.07066	1.2
179.09036	1.2
182.69633	0.4
189.05544	1.0
190.96326	1.3
191.07095	0.6
192.06538	2.4
192.10213	6.1
193.08604	0.8
194.11775	1.4
202.08569	1.4
203.07036	3.9
209.08221	0.6
220.09685	4.1
221.08046	3.9
238.06995	0.9
238.10789	34.6
238.14531	1.0
239.11058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.13139	2.0
54.17617	1.7
55.05516	12.4
56.50777	1.6
57.07077	3.7
65.04533	1.6
67.05516	14.6
69.07055	12.2
69.92255	5.0
69.92651	2.8
71.04997	29.6
79.05499	13.5
81.07063	53.6
82.07380	1.7
83.04994	11.5
83.08611	6.1
85.06555	2.2
89.06017	1.6
91.05493	19.6
93.07045	34.0
95.04971	4.9
95.08614	24.3
96.08949	2.0
97.06542	10.9
97.10145	2.3
97.82800	1.6
99.04436	3.0
99.08105	9.2
105.07039	27.6
107.08599	100.0
109.06525	11.5
109.10160	19.6
117.07006	4.3
119.08575	21.1
121.10157	10.8
123.08037	7.9
123.11707	16.5
125.06016	2.2
125.09650	6.7
127.07555	9.6
129.07005	2.1
131.08530	3.3
133.10147	36.3
133.11093	1.4
134.10229	1.9
135.08061	44.5
135.11719	5.0
137.09636	4.8
137.13257	2.4
141.07056	1.8
143.08539	4.4
145.06512	2.3
145.10121	7.0
147.08046	2.8
147.11746	13.6
149.09668	3.5
149.13339	1.7
151.11188	30.6
153.07033	2.6
153.09082	1.9
155.08583	4.9
157.10130	4.0
159.11691	3.3
161.09641	7.0
161.13277	6.4
163.11240	3.9
165.07008	2.9
165.12808	1.8
167.08563	2.3
169.10133	6.5
175.14842	36.2
176.70346	1.5
179.14334	3.3
181.10170	1.8
183.08069	2.0
183.11742	6.3
185.13307	2.7
193.10168	2.8
193.15923	24.9
195.11674	1.5
196.12306	1.6
197.09668	2.3
197.13293	7.4
199.91505	1.9
201.83789	2.0
203.14343	12.8
203.18034	1.9
211.07585	3.3
211.14906	2.8
221.15388	28.3
221.18983	7.3
239.06999	6.0
239.10805	6.3
239.14244	4.4
239.16263	5.7
239.18187	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	238.1076
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
53.03947	0.8
55.05528	1.2
56.96576	0.8
59.04995	0.5
67.13805	0.4
68.05027	0.6
69.03433	0.6
69.07079	4.2
69.62878	0.9
69.63291	2.0
70.06584	1.3
71.04986	1.6
72.08162	1.3
73.02920	0.9
73.06565	1.7
79.05495	4.6
80.05035	1.2
81.07072	0.6
83.74525	0.4
84.08147	1.2
85.02893	0.7
86.09742	0.4
88.07642	0.6
91.05503	1.5
93.07044	0.5
95.04972	0.8
96.04528	0.7
97.06512	0.6
98.97581	0.7
103.05476	2.4
105.07047	5.6
106.06567	13.3
107.04968	2.9
107.08551	0.5
115.05495	0.4
116.98707	0.5
117.05788	0.9
118.06560	2.6
119.07342	4.2
119.08605	0.6
120.08113	3.8
121.06520	0.9
121.08462	1.9
122.06022	0.6
124.03963	17.6
124.07554	0.5
127.96270	0.6
128.06201	0.6
129.07011	2.4
129.10211	0.6
130.06544	0.8
131.04926	1.0
131.07317	1.0
132.04439	1.4
132.08096	1.8
133.06491	1.7
134.06126	0.5
134.07265	0.7
135.04430	4.0
135.08063	0.7
137.05978	0.6
145.06523	0.5
146.06017	1.7
146.09657	23.3
148.03963	0.5
148.05138	0.7
148.07588	2.9
150.06735	4.1
151.07581	1.8
153.09067	0.5
160.07620	1.0
161.06085	0.8
161.08401	4.8
162.09108	1.1
163.06313	1.1
163.07542	5.8
164.07053	1.3
165.09131	13.7
166.08684	1.2
172.95345	0.4
174.05457	0.8
174.09129	0.6
175.07579	0.9
176.07062	6.9
177.05482	0.6
177.07881	5.1
178.08624	1.7
190.96414	0.5
191.07088	5.5
192.06584	7.2
192.10204	100.0
193.10585	1.5
194.11790	2.0
203.10695	1.1
206.05363	0.5
209.08131	2.9
220.09598	1.0
220.13316	1.3
238.10744	31.9
238.14355	6.4
238.18465	0.9
256.42752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.14909	3.9
55.05514	22.9
55.11805	3.4
57.03421	3.6
57.07069	6.0
59.04995	6.2
67.05502	26.6
68.98456	3.6
69.07063	34.7
70.82607	9.4
70.82942	5.1
71.04987	18.4
79.05494	21.8
81.07060	73.7
83.05002	7.5
83.08613	15.3
85.06553	48.7
86.12779	4.5
91.05478	17.9
93.07044	75.4
93.51804	4.5
94.07952	4.6
95.04984	22.1
95.05514	4.7
95.08613	73.9
95.09171	7.5
97.06522	17.8
97.10187	11.4
99.08109	5.2
105.07041	56.4
107.08591	64.4
109.06515	12.4
109.10162	60.9
111.08080	17.5
113.06001	9.8
117.07071	5.6
119.08594	56.6
121.10159	87.7
123.08112	9.4
123.11700	14.4
125.09631	15.8
131.08565	17.4
133.10115	21.7
135.11693	52.8
137.09552	6.3
139.11186	12.5
145.10130	30.7
147.11684	6.7
149.09554	7.9
149.13231	12.6
159.11705	76.4
159.13007	5.3
161.13275	71.1
163.11211	13.3
163.14832	6.4
167.10646	4.8
173.13274	8.9
175.14859	19.3
177.12717	5.6
177.16432	21.3
179.14317	5.9
181.12221	8.4
191.17953	60.8
201.16402	70.7
219.17461	85.3
219.19600	4.6
225.53502	4.1
237.18512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
51.25015	0.8
55.05520	6.3
56.88673	1.0
57.03429	1.7
67.05505	10.9
69.07069	10.7
70.06138	4.3
71.04977	2.4
71.89960	0.9
79.05502	9.3
81.07066	27.6
83.04984	2.3
83.08624	2.2
85.06538	2.3
91.05490	8.2
93.07056	13.4
95.04971	43.5
95.08611	24.1
97.06534	16.7
97.10159	5.3
105.07037	24.6
107.08596	14.5
109.06518	14.3
109.10164	19.5
111.11718	6.0
117.07026	1.4
119.08604	10.9
121.06520	1.2
121.10142	12.5
123.08069	7.3
123.11707	4.2
125.09655	1.8
131.08588	3.9
133.10132	5.9
135.08096	2.9
135.11676	9.2
137.09615	11.0
141.09152	1.6
145.10121	7.6
147.11676	4.2
149.09599	7.0
149.13286	4.1
151.11198	1.2
159.11700	7.9
161.13268	41.7
161.14607	2.5
163.11224	2.1
163.14862	7.2
173.13203	3.6
175.14833	2.5
177.12762	1.3
177.16420	1.5
179.14317	2.5
191.17946	5.4
201.12590	1.9
201.16371	14.2
219.13924	3.0
219.17444	37.5
237.14734	4.4
237.18507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Russujaponol C
Peak:m/z	Relative Intensity
55.05513	6.2
57.07072	5.1
65.03934	1.4
67.05516	8.7
69.03432	1.7
69.07079	8.8
69.76535	1.3
70.75492	3.1
71.05010	1.9
79.05504	9.5
81.07063	21.6
83.04973	2.7
83.08623	3.2
85.06560	2.6
91.05486	10.0
93.07044	19.4
95.04976	5.7
95.08615	17.6
97.06538	6.0
97.10202	2.1
99.08113	2.1
103.05491	1.6
105.07037	29.7
107.08608	36.2
109.06541	4.9
109.10165	15.4
111.04427	3.5
111.08134	3.5
111.11713	1.6
117.07040	7.2
119.08588	25.8
121.10153	19.0
123.08086	2.0
123.11703	7.1
125.09633	2.0
131.08578	6.3
133.10133	16.7
135.06744	1.3
135.08020	2.2
135.11713	8.9
137.09645	3.0
139.11172	1.4
144.09410	2.0
145.10141	11.9
147.11702	13.9
149.09630	4.5
149.13272	3.8
151.11191	9.3
157.10132	1.6
159.11705	46.6
159.13033	2.4
161.13271	29.0
162.52119	1.4
163.11214	17.3
163.14842	10.8
173.13318	1.7
175.14824	2.1
177.12773	11.4
177.16489	1.4
179.14262	1.5
181.12286	5.3
191.14270	2.1
191.17963	6.8
201.16403	29.2
209.11731	8.5
219.17456	100.0
220.17781	2.4
237.18510	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	237.185
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
51.41171	1.0
55.05503	4.2
65.03942	1.1
67.05509	11.1
69.07076	11.5
71.04987	1.5
71.15598	2.8
79.05492	4.6
81.07060	20.3
83.04955	1.4
83.08616	2.2
91.05465	3.6
93.07037	9.6
93.67129	1.2
95.04976	38.2
95.08051	1.8
95.08612	21.6
97.06521	14.7
97.10162	4.6
105.07037	21.6
107.08605	10.1
109.06519	10.3
109.10170	16.3
110.43115	1.1
111.08078	1.7
111.11732	5.7
119.08577	5.2
121.10152	9.0
123.08051	5.6
123.11713	3.6
131.08572	2.5
133.10124	4.1
135.11711	6.9
137.09633	8.0
139.03816	1.3
145.10110	5.3
147.11665	1.7
149.09642	6.9
149.13264	3.0
151.11186	1.4
159.11719	6.6
161.13269	38.8
163.14809	6.3
173.13258	2.6
179.14333	2.3
191.17920	3.7
201.16362	11.7
219.17464	31.1
237.18506	100.0
238.18765	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Carissone
Peak:m/z	Relative Intensity
55.05514	7.9
57.07095	1.9
59.05000	2.1
67.05511	8.3
69.03426	1.6
69.07070	13.3
70.72742	3.2
71.04998	31.5
71.08659	1.0
79.05501	5.7
80.44944	1.2
81.07062	21.0
83.04977	7.1
83.08636	7.3
85.06554	6.0
86.67049	0.9
91.05473	4.0
93.07050	13.7
94.67565	0.9
95.04970	5.4
95.08612	27.2
97.06523	4.3
97.10188	1.8
99.04459	16.3
99.08080	1.4
101.06015	3.3
105.06384	1.4
105.07037	16.0
107.07957	1.4
107.08614	15.9
109.06537	5.3
109.10170	14.2
111.08083	5.7
116.68289	1.0
117.06961	1.1
119.08581	15.5
121.06476	1.3
121.10138	16.5
123.08096	10.8
123.11710	8.4
131.08603	2.5
133.10121	5.8
135.08075	1.2
135.11708	7.9
137.09612	3.4
137.13255	3.4
145.10156	5.4
147.11710	1.8
149.09618	4.5
149.13219	3.9
151.11194	33.5
151.14813	2.5
159.11729	9.9
159.12938	1.8
161.13258	19.9
163.11200	6.1
163.14824	1.5
167.10701	3.9
167.14322	18.5
173.13260	1.5
175.14876	1.3
177.16414	1.5
179.14320	100.0
181.12280	3.0
191.17957	3.1
201.16377	7.2
219.13821	1.1
219.17447	21.2
237.18500	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
55.05511	2.7
55.11000	0.5
57.03442	3.1
67.05511	6.8
68.08548	0.5
69.07076	5.5
70.77285	1.5
71.04996	0.9
72.73515	0.6
75.04477	2.2
79.05499	5.4
81.06579	1.2
81.07063	20.7
83.04984	0.7
83.08617	1.9
83.20049	0.6
85.06555	0.9
91.05491	2.6
93.07054	10.4
95.04977	18.6
95.08613	15.7
97.06538	2.0
97.10175	2.2
105.07048	9.2
107.08602	14.2
109.06511	4.1
109.10167	7.6
111.08092	1.3
111.11752	3.3
117.07021	1.4
117.50612	0.6
119.08569	3.2
121.06485	0.9
121.10149	7.8
123.08066	2.7
123.11678	2.0
127.07535	0.7
131.08580	2.4
133.10156	3.1
135.03375	0.6
135.08130	1.2
135.11732	4.1
137.09604	3.4
141.09117	1.6
145.10136	4.2
147.11665	1.3
149.09628	2.1
149.13243	1.6
159.11700	4.1
160.87297	0.6
161.13275	10.4
163.11195	2.0
163.14828	15.7
173.13272	1.6
175.14804	1.0
177.12663	0.9
191.14441	0.7
191.18051	1.3
201.16383	5.7
219.17464	43.6
220.17894	0.8
237.18512	100.0
238.18721	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
55.05518	4.4
56.08760	0.7
57.03432	1.0
66.36405	0.7
67.05511	9.3
69.07066	8.1
70.78468	1.8
71.04977	1.1
79.05481	3.4
81.07063	18.2
83.08614	1.7
91.05490	3.9
93.07047	7.0
95.04975	32.3
95.08607	15.1
97.06537	13.5
97.10177	6.3
105.07036	16.8
107.08610	7.3
109.06524	10.3
109.10162	10.7
111.08044	1.7
111.11698	4.7
117.07003	1.3
119.08580	6.7
119.09300	1.2
121.10143	7.0
123.08088	6.0
123.11729	4.0
131.08617	1.6
133.10129	3.1
135.11700	4.2
137.09624	9.8
145.10107	4.8
147.11670	1.4
149.09622	4.3
149.13266	2.7
159.11694	4.0
161.13268	36.2
163.00114	0.7
163.14847	7.5
173.13226	1.5
175.14885	0.9
179.14307	3.2
191.17996	5.1
201.16412	11.2
219.17448	31.9
237.18503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
53.03925	0.5
54.12321	0.5
55.05509	5.8
57.03429	1.6
57.07063	1.0
62.71467	0.4
65.03931	1.1
67.05173	0.8
67.05503	11.3
69.07071	9.8
70.78428	1.0
71.04982	1.5
72.26432	0.5
79.05483	4.9
81.07060	24.3
83.04963	0.9
83.08615	2.0
85.06567	1.1
87.04446	0.9
91.05486	4.2
93.06481	0.8
93.07050	10.2
95.04974	42.6
95.08611	22.7
95.09245	0.8
97.05907	0.9
97.06535	16.6
97.10175	6.7
98.20809	0.6
105.07041	20.1
107.08599	10.6
109.06524	13.9
109.10161	16.5
111.08083	1.6
111.11719	7.2
113.06035	0.6
116.56043	0.4
117.06986	1.2
119.07793	0.6
119.08585	7.1
121.10142	9.6
123.08066	7.2
123.11716	4.0
125.09634	0.8
127.07507	0.8
131.08556	2.4
133.10115	4.2
135.11681	6.3
137.08652	0.8
137.09628	9.8
137.13263	0.6
141.09102	1.2
145.10130	6.9
147.11679	1.9
149.09618	5.3
149.13260	3.5
151.11200	1.0
159.11702	5.3
161.13263	41.1
163.11220	1.2
163.14828	8.3
173.13249	2.1
175.14767	1.0
179.14328	3.1
191.17923	5.0
201.16399	11.5
219.17447	33.4
237.18504	100.0
238.18732	1.2
258.39761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
50.50851	0.9
52.71825	0.7
55.05507	5.9
55.39500	0.7
57.03431	1.2
57.07072	0.9
63.06198	0.8
65.03952	0.9
67.05509	10.6
69.06779	0.8
69.07072	9.8
69.18057	0.8
70.50811	2.1
71.04995	1.4
79.05508	4.7
81.07059	21.2
83.08604	1.9
85.06548	1.0
87.04444	0.8
91.05463	4.5
93.07042	9.1
95.04974	43.8
95.08611	20.1
97.06535	14.8
97.10184	7.1
105.07038	23.8
107.08600	8.5
109.06522	13.7
109.09464	1.1
109.10166	14.6
111.08070	1.2
111.11731	6.7
119.08577	7.8
121.10160	10.7
123.08085	8.0
123.11723	4.7
131.08566	1.9
133.10153	3.9
135.11678	6.6
137.09615	9.3
141.09079	1.4
145.10127	7.4
147.11674	1.4
149.09659	6.0
149.13226	2.4
153.16142	0.8
159.11742	5.0
161.13263	40.2
163.14833	7.7
175.14731	1.1
179.14343	2.5
185.39342	0.8
186.91660	0.9
191.17960	4.2
195.32890	0.8
201.16396	12.3
219.17453	32.2
224.73451	0.7
237.18504	100.0
238.18832	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03930	1.6
55.05507	6.2
57.07055	1.9
57.80417	1.5
65.03884	1.5
65.48634	1.5
67.05508	11.6
67.95393	1.6
69.03436	1.6
69.07059	7.4
70.82516	3.4
70.82867	2.1
71.04987	6.1
79.05488	10.4
81.06585	2.5
81.07054	26.4
83.08612	3.8
91.05470	12.5
93.06481	2.2
93.07051	35.1
95.04935	1.7
95.08608	26.4
97.06515	2.8
97.10148	2.2
99.08080	1.8
103.05515	1.9
105.07047	22.1
107.08600	34.2
109.06494	2.2
109.10159	25.6
111.08089	18.9
117.07002	3.1
117.22420	1.3
119.08586	65.2
121.10152	100.0
123.08073	1.8
123.11703	4.7
125.09616	4.3
131.08560	5.7
133.10150	9.9
135.11668	7.1
137.09602	1.8
139.11099	2.4
145.10144	21.0
149.09608	1.9
149.13246	3.3
159.10464	2.3
159.11705	29.3
161.13274	38.7
163.11224	8.4
163.14859	4.1
173.13245	2.6
175.14780	1.5
177.12819	2.8
177.16335	3.8
179.14359	4.0
181.12207	6.0
191.18025	3.5
201.16394	41.9
219.17508	16.3
237.18491	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03929	3.1
55.01873	1.7
55.05514	13.1
57.07063	3.2
59.04993	3.9
67.05508	17.4
69.03426	3.0
69.06726	1.5
69.07071	20.2
70.03931	4.3
71.05004	2.6
71.31214	1.3
77.03924	1.7
79.05060	1.7
79.05498	22.4
81.07062	95.1
83.04968	2.7
83.08613	4.9
85.02940	1.2
85.06516	2.1
87.04469	2.9
90.45013	1.4
91.05482	20.4
92.61918	1.2
93.07047	53.2
95.04971	4.5
95.08614	73.5
97.06526	5.6
97.10178	3.7
98.20788	1.6
99.04459	1.8
101.06049	1.6
103.05479	1.6
103.75566	1.2
104.06258	1.6
105.07045	13.3
107.04956	4.8
107.08601	47.2
109.06509	2.9
109.10160	19.0
111.08089	2.8
111.11736	2.7
113.09638	1.5
115.05474	13.6
116.06249	4.1
117.07035	7.9
119.08586	24.4
121.06469	3.2
121.10151	44.3
121.11039	2.5
123.08020	3.3
123.11719	5.4
125.09621	3.4
127.11249	1.3
128.06184	3.8
129.07005	18.4
129.09123	4.5
130.07883	1.7
131.04982	3.4
131.08582	23.8
132.05743	2.4
133.06447	1.2
133.10144	15.1
134.63576	1.2
135.08070	2.2
135.11700	100.0
139.11192	3.6
141.06985	7.8
143.04919	2.5
144.05702	13.2
145.06502	8.6
145.10129	24.4
146.07222	2.9
147.08070	7.6
147.11732	2.0
149.02397	1.6
149.09651	3.8
149.13228	5.2
151.11168	3.7
157.06511	2.3
158.07309	3.4
159.04498	1.4
159.08064	36.5
159.11728	10.8
160.05223	6.8
161.05948	1.8
161.13243	6.4
163.04070	1.2
163.07599	1.4
163.11140	3.1
165.07037	7.8
165.42017	1.3
166.07796	3.8
167.07071	2.1
169.07626	5.3
172.05194	2.7
173.13274	2.1
174.06802	2.8
175.07564	18.6
176.06262	4.1
177.05513	3.8
177.06992	27.6
177.09106	3.6
177.12711	3.2
177.16444	1.9
186.06752	1.8
187.07556	29.3
187.25029	1.5
191.06998	2.6
191.08557	2.9
191.14221	1.6
191.17946	15.2
192.07831	30.5
193.06517	3.6
193.08301	1.4
194.07283	37.0
194.09091	1.8
201.16376	12.9
204.07845	4.5
205.06537	24.0
205.08594	3.7
207.08255	2.3
207.10161	15.3
209.09583	2.6
219.10178	16.9
219.17445	30.4
221.05963	2.0
222.06784	28.1
237.09079	70.1
237.11267	44.3
237.14839	4.2
237.18491	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	237.1851
Annotation	Carissone
Peak:m/z	Relative Intensity
55.01883	1.8
55.05513	6.9
57.07071	1.3
59.08452	1.4
67.05515	13.2
69.07067	13.4
71.04971	2.4
71.11068	2.3
71.11388	1.2
79.05501	8.2
81.07061	26.9
83.04996	3.2
83.08608	2.4
85.06539	2.5
88.09103	1.3
91.05475	5.4
93.07056	16.0
95.04370	1.9
95.04974	36.9
95.08054	1.9
95.08618	25.7
97.06538	14.3
97.10192	6.6
105.07040	23.8
107.08611	17.3
109.06516	14.6
109.10168	17.1
111.08103	2.8
111.11713	6.2
117.07069	2.2
119.08590	13.7
121.06485	1.6
121.10133	14.1
123.08073	8.0
123.11684	5.9
131.08601	6.5
133.10117	5.0
135.08070	3.0
135.11726	12.1
137.09637	10.9
141.09149	1.5
145.10165	11.8
147.11664	3.6
149.09631	5.4
149.13284	3.6
151.11089	1.7
159.11682	8.4
161.13275	36.4
163.07582	2.2
163.11156	2.8
163.14853	8.4
167.98073	1.1
175.14796	3.3
177.12784	3.2
177.16438	3.1
179.14339	3.7
189.16408	1.7
191.17976	7.3
195.11725	1.2
201.16414	13.9
219.13860	3.7
219.17458	34.7
219.19588	1.9
237.14690	2.8
237.18512	100.0
238.18753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03946	3.0
55.05264	2.0
55.05515	30.3
57.03438	3.1
57.06823	2.5
57.07079	29.5
57.07347	3.1
59.05017	3.5
65.03936	1.8
67.05514	19.8
69.06721	2.1
69.07076	27.9
69.90529	7.8
71.05003	3.5
71.08634	2.8
75.04468	2.5
79.05499	26.3
81.07065	71.1
83.04988	100.0
83.08624	17.5
83.12315	1.8
85.02923	1.9
85.06553	17.8
91.05473	14.6
93.07054	46.6
95.04973	27.2
95.08614	41.6
97.06548	12.7
97.10168	7.2
99.08144	1.6
105.07040	49.1
105.76562	1.9
107.07863	2.9
107.08604	57.6
108.17577	1.7
109.06517	15.7
109.10164	28.1
109.10886	1.2
111.08075	9.0
111.11736	2.8
113.09703	2.4
117.07025	6.0
119.08579	30.0
121.06512	2.4
121.10146	38.4
123.08076	10.7
123.11715	10.7
125.06007	3.2
125.09646	3.4
127.11211	1.8
131.08572	8.3
133.10144	13.3
135.08063	4.2
135.11705	28.9
137.09636	8.1
137.13269	2.3
139.11157	4.5
145.10150	21.8
147.11667	6.2
149.09639	12.0
149.13251	4.0
151.11243	4.5
153.09186	2.5
157.10161	1.6
159.11703	18.4
161.13274	69.4
163.11200	13.0
163.14841	39.9
163.15898	0.9
167.10701	17.7
173.13284	7.2
175.14842	1.8
177.12729	4.3
179.14320	11.7
181.12263	14.3
189.12801	2.7
191.14204	1.8
191.18002	11.4
201.16412	22.9
204.15179	4.2
209.52139	1.6
219.14014	2.3
219.17456	73.2
220.17642	1.8
237.14798	2.6
237.18513	91.8
238.19009	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
53.03952	1.0
55.05512	7.4
57.03437	1.9
57.07069	0.9
67.05507	13.5
69.06763	1.2
69.07072	11.0
69.73544	4.8
71.04990	2.6
79.05507	6.6
81.07060	29.8
82.45358	1.0
83.04985	1.6
83.08607	3.2
85.06546	2.6
91.05488	6.0
93.07050	13.2
95.04973	40.0
95.08611	22.2
97.06538	17.0
97.10169	6.7
105.06391	1.5
105.07042	24.7
107.08604	13.6
109.06538	10.0
109.10173	16.7
111.08093	1.9
111.11738	5.8
113.05997	1.1
117.07016	2.8
119.08591	8.4
121.06497	1.2
121.10149	14.7
123.08080	8.3
123.11710	5.5
125.05987	1.3
125.09661	1.6
129.07013	1.3
131.08612	6.0
133.10153	7.5
135.08052	3.2
135.11676	7.0
137.09641	9.8
141.09088	1.9
145.10138	8.0
147.11710	3.6
149.02304	1.1
149.09552	5.6
149.13246	3.7
151.11186	1.7
153.12782	1.1
159.08047	2.0
159.11691	7.9
159.43094	1.1
161.09662	1.1
161.13264	39.7
163.11151	3.1
163.14853	7.4
165.07031	1.5
166.07732	1.0
173.13284	2.7
175.14839	1.3
177.07010	4.8
177.12764	1.7
177.16359	1.7
179.10594	1.2
179.14288	4.3
187.07562	2.2
191.14270	1.7
191.17984	6.0
193.04811	1.0
194.07272	7.9
201.16403	13.6
205.06522	4.3
209.09633	1.2
219.08273	1.0
219.10197	4.3
219.13794	2.7
219.17433	36.7
222.06737	5.7
237.09187	13.1
237.14677	2.5
237.18506	100.0
238.18840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0912
Annotation	trans-4,5-Dihydroxy-4,5-dihydropyrene
Peak:m/z	Relative Intensity
55.01863	0.8
55.05510	0.3
60.50697	0.3
63.14896	0.3
67.05508	0.5
69.49507	1.9
71.04988	0.3
79.05486	0.5
81.07043	0.6
83.05022	0.3
83.48201	0.2
91.05482	1.2
93.07043	1.0
95.04986	0.4
95.08618	1.0
104.52066	0.2
105.07034	1.0
107.04971	1.1
107.08587	0.9
109.06510	0.5
109.10174	0.4
115.05437	1.3
116.06252	0.4
117.07018	0.6
119.08566	0.7
121.10128	0.4
129.07007	1.1
131.08560	2.0
133.10136	0.7
135.11667	0.6
141.06998	0.6
144.05733	1.4
145.06538	0.5
145.10110	0.4
147.08018	0.4
149.13226	0.3
152.06226	0.6
153.06937	0.6
158.07256	0.3
159.08073	2.1
159.11691	0.6
160.05159	0.4
161.13297	0.5
163.11195	0.3
165.07016	11.0
166.07809	6.3
167.08569	0.4
168.05731	0.7
169.06502	0.9
172.05162	0.3
175.07552	1.1
176.04826	0.5
176.06236	5.6
176.09982	0.2
176.96368	0.3
177.07011	40.9
178.07690	1.5
179.08569	1.2
179.10693	0.4
181.06476	0.8
181.10129	0.7
187.07570	2.0
189.06918	0.5
190.07811	0.7
191.08618	1.5
192.07829	1.5
193.06499	3.6
194.07289	58.7
195.07813	1.5
201.16422	0.5
204.05827	0.7
205.06502	31.1
206.07259	3.9
207.08151	0.7
207.10216	1.1
209.05981	0.4
209.09662	2.0
218.07339	0.4
219.08078	0.9
219.10191	1.9
219.13773	0.5
219.17464	0.9
220.08670	0.3
221.05977	3.1
222.06778	37.5
223.07170	0.9
236.08194	0.3
237.09123	100.0
237.10927	3.7
237.18558	1.1
238.09390	2.2
253.46738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
53.03946	0.9
55.05515	6.6
57.03424	1.2
67.05513	11.6
69.07069	9.9
70.92373	1.3
70.92718	1.9
71.04994	2.0
74.24973	0.7
79.05490	5.0
81.07064	23.0
83.04984	1.3
83.08621	2.7
85.06567	0.9
91.05489	4.7
93.07057	12.2
95.04975	37.6
95.08616	19.0
97.06539	16.2
97.10182	8.1
102.38940	0.9
103.34418	0.9
105.07040	21.7
107.08614	9.4
109.06522	13.4
109.10164	17.0
111.08076	1.1
111.11724	6.8
112.59858	0.9
117.07028	1.3
119.08614	8.2
121.10145	9.7
121.57310	0.8
123.08057	6.2
123.11700	5.2
131.08574	3.5
133.10135	4.0
135.11736	5.8
137.09624	8.0
145.10094	6.5
145.11964	0.9
147.11700	1.9
149.09607	6.8
149.13313	2.5
159.11713	5.2
161.13266	38.8
163.11214	1.1
163.14850	5.7
173.13255	2.9
179.14337	3.6
191.17998	5.3
201.16400	11.9
219.17462	28.9
237.18517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51186	0.2
55.01859	0.6
55.05508	0.4
56.23288	0.2
57.60249	0.2
63.52172	0.2
64.04120	0.2
67.05513	0.4
69.07059	0.3
79.05486	0.4
81.07056	0.9
83.04966	0.5
91.05487	2.3
93.07051	0.6
95.04936	0.2
95.08612	0.5
97.06535	0.3
105.07039	1.2
107.04966	1.4
107.08592	0.7
115.05472	2.4
116.06260	1.0
116.25055	0.2
117.07049	1.3
119.08598	1.1
121.06495	0.2
121.10139	0.4
126.04690	0.2
128.06229	0.7
129.07019	3.3
131.04936	0.7
131.08565	3.8
133.06406	0.3
133.10132	0.6
135.08043	0.3
135.11717	0.4
139.69807	0.2
141.06976	1.9
143.04929	0.6
144.05717	4.5
145.06468	1.3
145.10138	0.4
147.08069	0.7
149.09662	0.4
152.06227	0.8
153.07001	0.5
155.04927	0.3
157.06491	0.7
158.07269	0.4
159.08069	6.2
159.11688	0.5
160.05254	0.4
161.05963	0.3
161.13268	0.5
163.11235	0.2
165.07018	10.5
166.07796	6.9
167.08464	0.5
168.05704	0.7
169.06404	1.1
169.07666	0.7
172.05209	0.6
173.05887	0.3
175.07574	1.8
176.04660	0.2
176.06227	6.0
177.07008	41.0
178.07684	1.4
179.08549	0.8
181.06464	0.5
181.10158	0.6
187.07564	6.1
189.06993	0.8
190.07777	0.6
191.07045	0.7
191.08571	1.5
192.07851	0.7
193.06526	4.5
193.08342	0.2
194.07289	56.0
195.07808	1.2
201.16342	0.6
204.05748	0.7
204.07797	0.4
205.06508	30.2
206.07245	3.5
207.07997	0.8
207.10191	2.0
209.09619	1.8
211.07472	0.3
219.08128	1.0
219.10155	8.3
219.13617	0.4
219.17418	1.2
221.06004	2.2
222.06776	35.1
223.07063	0.5
236.08231	0.3
237.09120	100.0
237.18417	1.3
238.09456	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	237.091
Annotation	trans-4,5-Dihydroxy-4,5-dihydropyrene
Peak:m/z	Relative Intensity
55.01842	0.8
55.05494	0.4
57.03421	0.3
64.08181	0.2
67.05475	0.9
69.03395	0.5
69.07052	0.3
70.04535	1.2
71.04979	0.3
79.05471	0.7
81.03410	0.4
81.07059	1.5
83.04930	0.8
84.08129	0.7
85.02881	0.6
89.04172	0.3
91.05435	0.9
93.07004	1.2
95.04973	0.5
95.08620	1.4
97.06504	0.4
105.07023	1.6
107.04924	0.3
107.08597	1.6
109.06462	0.3
109.10146	0.6
111.04437	0.3
115.05477	0.5
117.07022	0.3
119.08572	0.8
120.05239	0.3
121.10097	1.2
121.10883	0.3
124.34554	0.3
125.09599	0.4
131.04886	0.4
131.08556	0.9
133.10121	0.6
135.08049	0.6
135.11664	0.6
141.06937	1.2
143.08575	0.3
144.05632	0.5
145.10118	0.6
147.04393	0.4
147.11632	0.3
148.04759	0.4
149.13255	0.4
152.06180	1.0
153.05768	0.3
153.06987	1.9
159.08005	0.3
159.11700	1.0
161.09573	0.6
161.13344	0.5
163.11153	0.4
163.14870	0.3
164.09448	0.5
165.06996	11.1
166.07796	9.9
167.08542	1.5
168.05687	1.2
169.06506	0.4
173.94946	0.3
176.06192	1.1
177.05544	0.5
177.07002	3.8
177.12881	0.3
178.07784	3.1
179.08583	3.6
179.10228	0.4
180.05719	0.4
180.09334	0.4
181.06465	3.1
181.10106	4.8
182.07176	0.4
189.07022	3.8
190.07790	8.5
191.08566	28.7
192.09099	0.8
193.06474	5.9
194.07283	21.5
195.08038	3.1
201.12648	0.3
201.16432	0.6
202.07814	0.3
202.17511	0.4
204.05804	0.5
205.06499	6.8
206.07213	0.9
207.08109	2.3
208.05310	0.6
208.08807	3.2
209.06203	0.6
209.09628	17.1
218.07307	1.1
219.08084	13.3
219.10080	0.6
219.14922	1.9
219.17433	0.8
220.08688	0.7
221.05995	8.7
222.06769	62.6
223.07425	2.9
229.07542	0.4
236.08224	0.3
236.10745	0.7
237.09116	100.0
237.18494	1.1
238.06934	0.3
238.09393	2.2
255.10139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1282
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
54.03423	0.2
55.01874	0.3
55.05502	0.4
56.96569	1.4
57.03438	0.9
60.04511	0.3
61.02916	1.0
62.56384	0.3
69.03439	1.7
70.06590	0.8
71.04967	0.5
71.55587	0.3
72.08148	0.5
73.02918	1.0
73.39233	0.3
77.21233	0.2
81.03406	0.8
81.07025	0.3
82.06582	5.4
84.08110	0.4
85.02914	2.8
85.06544	0.5
85.67512	0.3
87.04458	0.6
91.04973	0.4
91.05484	5.1
95.04961	0.3
95.06103	0.7
97.02894	2.3
98.03212	0.4
98.97565	1.0
99.04428	0.4
100.07623	7.2
101.00824	0.4
109.06478	0.4
110.07171	0.7
111.07519	0.5
117.07027	0.4
119.01885	0.7
119.04963	3.5
120.08080	0.3
123.04422	0.5
124.91199	0.3
125.04489	0.5
126.02694	0.3
127.03923	0.7
129.06947	0.3
131.00137	0.4
131.01904	0.7
131.08598	0.4
137.05983	18.0
143.01862	0.4
145.01753	0.6
145.06453	0.7
146.05028	1.8
147.05148	1.9
148.03830	0.6
148.05107	0.5
149.05966	0.6
151.07588	0.3
154.53989	0.3
155.05597	1.7
155.08469	0.3
157.03397	0.5
161.02994	0.3
161.05650	0.4
163.02832	0.6
163.04404	1.2
163.07545	0.4
163.54597	0.8
164.07057	0.3
165.06129	0.4
166.08611	0.3
170.05057	0.6
173.02831	0.3
175.06313	0.4
177.07822	0.4
178.04939	1.0
181.03659	0.4
189.06158	1.6
189.09151	0.5
190.08626	30.2
191.08835	0.3
201.09167	0.3
216.10202	1.5
217.72491	0.3
218.11766	17.5
219.12114	0.5
235.56650	0.8
236.12820	100.0
237.02739	0.3
237.13156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0872
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
54.17498	0.2
55.01871	0.3
55.05511	0.4
56.84638	0.2
56.96555	0.5
57.12451	0.2
61.26472	0.2
61.93839	0.2
62.72759	0.2
65.71115	0.2
67.05497	0.4
69.03411	0.5
69.07052	0.4
70.03393	0.8
70.06568	0.5
71.04988	0.3
72.07797	0.3
72.08161	3.5
73.02894	0.3
74.02445	6.2
79.05488	0.3
81.03413	0.3
81.07069	0.9
82.06580	0.3
84.08128	0.6
85.02903	0.5
86.09688	0.2
91.05471	1.0
92.05812	0.2
93.07046	0.5
94.06556	0.6
95.04980	0.5
95.08604	0.5
97.02886	0.6
98.20903	0.3
98.97575	0.8
100.07583	0.3
101.00880	0.2
105.07022	0.5
107.08577	0.4
109.02892	0.3
109.10127	0.2
110.07184	0.2
116.98597	0.3
118.06533	1.4
118.22684	0.2
119.01910	0.6
119.04935	0.2
119.08600	0.2
120.08058	0.4
121.10176	0.2
127.03979	0.3
128.04967	4.3
128.98610	0.2
129.28822	0.2
130.06532	0.9
131.03392	0.2
132.03413	0.2
132.04471	0.9
137.05981	0.9
138.06310	0.6
143.01921	0.3
144.44736	0.2
145.03447	0.3
146.06012	100.0
147.06305	1.0
148.03932	1.1
155.04637	0.6
155.54781	0.2
157.07640	0.5
158.06023	1.0
161.02948	0.3
161.13255	0.3
164.07077	0.4
173.07140	0.8
174.05577	0.5
174.12779	0.8
175.08725	0.3
177.00671	0.2
178.08693	0.6
190.08771	0.4
191.03816	0.2
191.08897	1.8
192.04794	0.2
192.06552	0.4
205.76595	0.2
214.05602	0.2
217.10596	0.3
219.05751	0.4
219.07645	1.9
219.12126	1.4
219.17426	0.3
220.06581	0.2
220.13321	0.6
232.06702	0.3
237.06847	0.2
237.08838	3.8
237.13162	7.3
237.18318	0.5
237.22241	0.3
238.10898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Terrecyclol
Peak:m/z	Relative Intensity
53.03931	1.9
55.05501	4.7
57.07071	4.6
59.05003	1.4
67.05515	7.7
69.03426	1.7
69.07081	7.8
71.04996	4.6
71.34178	2.3
79.05502	6.1
81.07065	20.4
83.04974	4.8
83.08603	2.7
85.06528	1.3
90.18665	1.1
91.05477	11.4
93.07043	14.7
95.04967	4.8
95.08620	12.9
97.06527	4.6
99.04442	1.6
101.54822	1.2
105.07047	20.1
107.08607	22.9
109.06522	11.2
109.10150	9.3
111.04424	1.9
111.08086	4.4
113.06013	1.5
116.25184	1.1
117.07002	2.4
119.08590	26.1
121.06519	2.4
121.10154	19.3
123.08067	5.0
123.11730	11.4
125.06022	2.5
125.09649	1.2
127.07600	1.2
127.44693	1.0
128.06212	1.6
129.07001	3.6
131.08586	9.2
133.06509	2.6
133.10139	22.0
135.08070	4.5
135.11687	5.7
137.09641	3.7
142.07765	3.2
143.08588	5.4
145.10143	5.3
147.08055	4.8
147.11708	12.2
149.09648	3.2
149.13260	4.5
151.11249	1.3
153.58504	1.4
157.10149	12.1
159.11696	14.0
161.09662	13.1
161.13269	5.0
163.11198	6.4
163.14850	2.5
165.12813	1.7
171.11746	2.3
173.13275	4.1
175.07559	1.2
175.11205	10.6
175.14835	10.1
177.09189	1.2
177.12778	5.7
179.10660	5.6
184.12402	1.7
189.12759	2.9
189.16397	21.9
191.14316	3.9
193.15857	1.7
199.14839	10.9
217.15894	27.6
226.91061	1.1
227.87279	1.1
235.16954	100.0
236.17348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.37399	3.4
55.01856	4.6
55.05513	12.8
57.07050	5.5
59.04999	3.5
61.02914	3.8
63.69643	3.3
65.98032	3.5
67.05495	21.6
69.07073	18.4
70.63006	9.1
71.05002	16.1
79.05487	17.3
81.07063	50.1
83.04955	4.3
83.08635	8.2
91.05486	26.4
93.07055	29.9
95.04975	17.7
95.08592	32.2
97.06551	6.9
98.21413	4.1
99.04436	4.0
105.07034	47.0
107.04919	3.3
107.08597	50.6
109.06538	21.9
109.10149	25.1
111.08096	5.3
117.07025	9.4
119.08591	61.7
121.06522	6.3
121.10135	24.0
123.08067	8.0
125.09650	4.4
129.07031	6.9
131.08559	20.6
133.10132	38.1
135.11682	7.9
137.09648	13.1
142.07755	14.0
143.08629	16.0
144.09422	5.5
145.10110	10.3
147.08060	5.1
147.10573	3.8
147.11662	20.1
149.09590	3.9
149.13257	5.9
156.09351	7.1
157.10143	52.8
159.11688	54.9
161.09633	12.1
161.13293	16.8
165.12717	6.0
170.10962	5.6
171.11691	15.9
173.13228	19.3
175.11197	11.2
175.14833	67.9
177.07056	6.4
177.12779	15.4
179.10669	6.1
189.16414	16.1
199.14815	53.8
217.15887	65.5
217.52583	3.4
235.16919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
52.66926	1.3
53.03941	2.8
53.91165	1.1
55.01859	4.5
55.05518	20.2
57.03433	3.0
67.05511	17.7
69.03437	2.1
69.06789	1.2
69.07081	16.2
69.91544	6.3
71.04987	5.0
79.05502	19.7
79.36723	1.2
81.07063	52.7
83.04983	6.2
83.08624	4.0
91.05484	20.9
93.03391	3.3
93.07049	24.8
95.04979	6.9
95.08614	45.0
97.06546	32.1
97.10186	28.4
105.07031	36.0
107.04952	2.9
107.08602	30.2
109.06519	5.6
109.10167	26.1
111.04454	10.8
111.08092	9.1
111.11733	2.4
115.05397	1.5
117.07008	7.8
119.07793	2.4
119.08587	32.5
121.06503	7.6
121.10145	10.1
123.08099	3.4
123.11715	9.3
125.05984	3.0
125.09651	3.0
128.06209	2.8
129.06998	5.6
131.08582	9.8
133.10141	21.2
135.07108	2.4
135.08066	31.1
135.11690	4.2
137.09604	3.0
139.07565	8.9
142.07790	3.3
143.08572	16.4
145.10117	7.7
147.08057	6.5
147.11685	16.1
149.09608	1.6
149.13255	8.5
149.72485	1.4
153.09126	1.5
157.10127	19.8
159.10428	1.8
159.11690	13.4
161.09651	4.7
161.13266	23.1
163.11360	1.2
163.14836	2.3
169.06548	1.7
169.10168	1.4
171.11719	8.4
173.13257	6.6
175.11203	2.5
175.14833	5.1
176.06238	4.7
177.07047	15.7
177.12804	3.6
178.07799	4.1
179.08626	2.0
184.12363	2.1
187.14818	4.0
189.12775	1.7
189.16411	20.3
199.14841	39.8
205.06448	12.7
205.15825	2.0
207.08183	1.5
207.17413	2.6
217.15877	26.9
227.46896	1.6
235.07559	32.6
235.16946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Valerenic acid
Peak:m/z	Relative Intensity
51.05837	1.3
53.03956	1.7
54.49023	1.3
55.05515	7.4
57.07072	3.7
67.05511	9.0
69.07081	7.4
70.66797	4.4
71.05009	4.4
79.05502	9.3
80.05836	2.2
81.07059	37.2
82.07402	6.5
83.04978	1.8
83.07726	1.5
83.08622	4.0
84.26151	1.3
91.05481	10.2
92.05811	3.2
93.06135	2.0
93.07049	17.8
94.07359	3.4
95.04963	2.8
95.07726	1.7
95.08612	19.2
96.08936	5.0
97.06531	4.4
97.09309	1.8
97.10141	1.6
105.07043	73.0
106.07366	6.8
107.07817	2.6
107.08601	19.0
108.08924	5.6
109.06516	2.8
109.09392	2.3
109.10156	8.8
110.10535	1.4
111.08025	1.4
117.07022	4.1
118.07352	2.3
119.07796	1.6
119.08587	31.3
120.08927	4.7
121.06532	3.0
121.09257	4.4
121.10156	13.8
123.08076	2.6
131.08600	10.7
132.08934	8.6
133.06497	1.8
133.09225	8.3
133.10147	18.0
134.10385	1.8
135.07996	3.2
135.10812	2.6
135.11737	2.0
139.06487	1.7
139.07558	2.2
143.08553	2.8
145.10152	10.3
146.10490	6.2
147.08052	1.4
147.10690	6.6
147.11804	6.7
149.09660	1.9
157.10185	3.1
159.11732	15.7
160.11987	2.0
161.13298	100.0
162.13634	3.1
163.13908	3.9
165.09294	1.5
175.11273	2.5
175.14854	5.5
177.12791	5.2
179.09445	2.1
179.10791	2.9
182.10950	1.4
184.11548	1.7
185.43384	1.4
187.14854	17.9
188.15132	7.6
189.12926	2.0
189.15352	40.8
191.14276	2.0
199.13786	2.0
199.14940	2.3
207.16516	2.4
215.14336	2.2
217.15121	11.4
235.16594	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Rishitinol
Peak:m/z	Relative Intensity
55.05502	3.7
65.03952	1.0
67.05505	12.6
67.44846	1.0
69.03424	1.1
69.07069	5.0
70.48779	2.9
71.04609	1.2
71.05000	22.9
79.05502	10.0
81.07063	30.3
83.04991	1.9
85.06535	1.7
88.85195	1.2
91.05498	10.6
93.07050	15.2
95.04957	3.0
95.08613	30.4
97.06527	2.6
105.07040	19.0
107.08611	23.9
108.09373	1.7
109.06532	13.3
109.10175	6.6
111.08076	7.5
117.06998	3.8
119.08602	15.9
121.10133	5.6
123.08079	32.9
127.07582	5.4
128.06218	2.5
129.07001	3.1
131.08560	11.2
133.10147	16.0
135.08076	4.1
135.11668	4.1
137.09628	13.8
142.07793	4.8
143.08586	9.7
144.09351	3.8
145.10138	3.7
147.08076	1.9
147.11687	7.8
149.13219	1.7
151.11157	2.6
156.09341	1.8
157.08981	0.8
157.10135	26.2
159.11714	40.9
161.09622	3.8
165.12738	15.9
169.10144	3.0
170.10951	1.1
171.11714	3.7
173.13274	4.2
175.11212	11.1
175.14818	19.2
177.12778	7.2
179.10634	2.5
184.12503	1.7
184.24432	1.1
189.16385	3.0
193.15956	5.3
199.14841	100.0
217.13815	2.5
217.15906	48.4
235.13303	1.8
235.16940	37.1
257.67380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Rishitinol
Peak:m/z	Relative Intensity
51.94832	2.4
52.62478	2.3
55.01868	4.1
55.05507	20.4
57.03416	4.2
57.07070	5.9
59.86085	2.5
67.05517	21.6
69.03427	3.5
69.07063	15.0
71.04979	10.7
71.15522	5.6
72.03497	2.3
79.05495	25.4
81.07065	62.7
83.05017	3.3
83.08609	6.1
85.06513	2.6
90.82997	2.4
91.05488	23.6
93.07046	28.1
95.04971	8.0
95.08611	47.6
97.06539	30.1
97.10188	26.0
99.64742	2.9
105.07031	54.7
107.08597	48.0
109.06491	11.0
109.10161	27.1
111.08084	8.4
117.07018	9.9
119.08585	47.0
119.09363	4.4
121.06532	8.7
121.10148	23.5
123.08057	8.3
123.11713	9.3
125.09615	3.8
128.06247	2.7
129.07011	10.4
131.08565	22.7
133.10152	28.5
135.08058	18.5
135.11708	9.6
137.09612	4.0
139.07559	7.2
142.07774	7.2
143.08588	22.1
144.09351	9.9
145.10121	12.0
147.08063	7.8
147.11699	23.6
149.13264	11.0
151.11252	3.5
157.10130	37.5
159.11705	98.7
161.09637	9.6
161.13292	15.7
163.11182	4.2
171.11676	10.8
173.13303	8.4
175.11212	10.0
175.14786	12.5
177.12776	13.9
179.10655	3.4
189.16426	22.5
199.14835	62.6
207.17473	4.4
217.15895	63.9
235.16945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
55.05510	10.6
57.07069	8.9
67.05510	17.5
69.03443	2.1
69.07072	13.9
70.60203	4.5
70.60568	4.7
70.71195	2.2
71.04987	5.2
74.95550	2.0
75.49410	1.9
79.05495	16.7
81.07062	28.8
83.04978	9.5
83.08626	3.4
85.06544	4.8
91.05504	20.8
93.07045	37.8
95.04957	6.5
95.08603	28.7
97.06544	6.0
98.20834	3.0
99.04440	4.2
105.07040	45.2
107.08600	39.6
109.06524	14.1
109.10165	18.1
111.08073	4.1
117.07007	7.7
119.08589	43.2
121.06487	6.4
121.10148	36.8
123.08059	9.6
123.11693	8.6
128.06256	3.0
129.07025	3.6
131.08580	14.9
133.06506	3.2
133.10144	41.2
135.08058	9.2
135.11703	13.9
137.09631	5.4
142.07803	4.5
143.08560	7.6
144.09338	3.3
145.10127	8.6
147.08040	7.3
147.11703	19.1
149.09648	15.7
149.13261	8.1
151.07547	4.3
151.11250	3.5
157.10112	18.4
159.11696	21.6
160.12360	2.1
161.09615	30.1
161.13249	7.4
163.11195	3.8
165.12790	2.3
171.11755	3.5
173.13289	7.8
175.11252	10.9
175.14825	21.2
177.12764	9.0
179.10664	9.0
189.12737	4.0
189.16391	22.0
191.14290	4.6
199.14804	21.5
207.17435	3.0
217.15887	41.5
235.16942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	alantolactone
Peak:m/z	Relative Intensity
55.05499	5.2
67.05518	6.5
69.07056	5.0
69.79819	5.9
79.05499	8.9
81.07062	22.2
83.08621	1.2
91.05491	13.2
93.07059	19.2
95.08613	20.1
97.06528	1.1
97.10153	1.3
101.71190	1.0
105.07041	33.8
107.08618	15.5
109.06547	1.3
109.10143	5.9
116.31173	1.3
117.07021	9.4
119.08598	16.8
121.06475	2.5
121.10143	4.3
125.05999	2.3
129.07019	1.5
130.07811	2.5
131.08582	33.6
133.06488	1.7
133.10164	10.8
135.04454	1.2
135.08023	1.5
135.11708	1.5
137.06044	1.3
139.07564	2.9
143.08553	4.6
144.09370	1.3
145.06482	1.6
145.09039	2.4
145.10139	36.1
145.11292	1.7
147.11690	7.6
149.06026	2.3
155.08582	2.8
156.09361	1.4
157.10191	3.5
159.08070	4.4
159.11696	17.1
161.13255	12.5
163.07588	2.5
165.09106	1.2
167.08545	1.3
169.10150	3.0
171.11751	1.4
173.09618	3.2
177.09126	9.6
182.10919	2.9
187.14838	100.0
191.10712	2.6
197.13295	9.4
205.15891	3.5
215.14343	24.5
233.15387	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(+)-12-Hydroxy-alpha-cyperone
Peak:m/z	Relative Intensity
51.05800	1.4
51.22371	1.6
55.05502	9.4
57.03431	2.1
57.07074	4.1
63.15360	1.6
65.03915	1.8
67.05226	1.5
67.05509	17.8
69.03429	6.3
69.07091	7.7
70.50249	3.6
70.50621	3.7
71.04994	11.2
77.29908	1.7
79.05489	10.4
81.07064	36.1
82.75854	1.8
83.04981	3.5
83.08627	2.1
85.06549	3.2
91.05486	16.6
93.07056	30.5
95.04984	26.7
95.08055	2.9
95.08620	41.8
97.06532	13.8
99.04458	6.3
105.06375	3.0
105.07037	33.9
107.04942	2.2
107.07880	2.2
107.08602	34.6
109.06525	15.1
109.10165	24.6
111.08081	5.1
117.07015	6.5
119.07793	2.9
119.08586	39.2
121.06518	6.2
121.10149	18.8
123.08080	21.3
123.11677	2.4
125.09676	2.4
128.78601	1.6
129.06973	3.2
131.08597	10.4
133.10124	24.0
135.08083	10.4
135.11694	6.5
137.09627	13.0
142.07841	4.0
143.08560	10.4
145.10133	9.7
147.08022	3.3
147.11713	16.5
149.09621	5.7
149.13261	3.9
151.11183	3.3
153.09076	2.8
157.10143	28.5
159.11705	50.6
161.09570	6.6
161.13260	22.4
165.12770	3.9
167.10669	10.6
170.10867	1.7
171.11699	5.0
173.13228	4.4
175.11188	6.4
175.14870	11.9
177.12762	18.2
179.10666	5.4
184.12471	3.2
189.16397	15.4
193.15829	2.8
199.14851	28.3
207.17397	2.1
217.15927	39.2
235.16943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43155	1.2
53.03936	2.4
55.01871	2.2
55.05494	5.5
57.07075	1.5
63.22887	1.1
67.05508	9.2
67.05807	2.0
69.03421	2.1
69.07057	5.3
69.63615	1.5
70.68130	2.9
70.68468	2.1
71.04980	3.9
79.05058	1.9
79.05495	23.1
79.59909	1.2
81.07060	56.8
83.04963	2.2
85.06546	2.3
91.05482	20.3
93.07045	14.3
95.04977	5.2
95.08619	9.3
98.41307	1.3
103.05453	2.1
105.07034	46.9
107.08598	14.7
109.06508	23.7
109.10098	3.1
111.08100	2.0
115.05458	2.7
116.06219	1.5
117.07021	9.7
119.08589	19.0
119.50198	1.4
121.06499	5.8
121.10212	6.1
123.08110	7.8
125.02377	1.2
127.07569	20.6
128.06293	2.0
129.06985	5.8
130.07748	2.6
131.08578	27.3
133.06546	1.5
133.10135	81.3
135.08049	9.2
135.11697	1.8
137.09598	3.8
141.06990	3.6
142.07759	6.6
143.08572	7.1
144.05614	1.4
144.09378	2.0
145.06467	3.1
145.09052	1.7
145.10138	27.4
147.08026	2.8
147.11707	11.7
149.09647	2.9
153.07050	2.3
154.07697	1.8
155.08539	9.2
156.09386	3.1
157.10129	36.2
158.10898	4.0
159.08078	6.3
159.11697	14.5
161.09665	1.7
161.13278	2.9
163.07568	1.6
163.11194	4.6
167.08575	3.2
168.55632	1.4
169.10114	8.4
171.11702	6.7
172.12517	1.4
173.09680	9.8
173.13284	27.9
175.11191	32.8
182.10918	9.1
185.13271	4.6
187.11197	10.8
187.14827	12.7
189.12726	2.4
191.10747	1.8
191.14343	16.0
197.13261	33.3
205.06595	1.6
205.15891	2.7
215.14326	100.0
233.06030	2.4
233.08061	3.1
233.11841	2.7
233.15381	48.1
233.22166	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03939	4.8
55.05498	6.9
67.05502	16.2
69.07061	7.7
70.73608	5.2
71.04997	12.7
79.05502	22.4
81.06647	3.6
81.07063	47.7
90.71693	2.3
91.05486	39.6
93.07041	29.3
93.45228	2.1
95.04970	2.7
95.08611	44.1
100.46638	2.7
105.07035	64.5
107.08593	30.1
109.06514	3.7
109.10143	11.9
117.07001	18.8
119.04928	3.4
119.08589	38.4
121.06495	8.8
121.10141	14.1
123.08105	2.6
125.05988	3.9
129.07042	4.2
130.07756	5.3
131.08563	54.9
133.06500	6.8
133.10144	20.0
135.08025	9.5
135.11729	4.5
137.05954	4.3
139.07544	4.7
142.07832	2.6
143.08568	4.0
144.09383	3.5
145.10124	85.2
147.08037	23.9
147.11635	13.7
149.09595	3.0
151.07567	10.7
153.09099	3.4
155.08531	9.2
157.10129	9.0
159.08072	10.2
159.11697	32.0
161.13260	27.5
163.07504	5.5
163.11223	2.9
169.10165	4.2
171.11700	2.5
173.09647	7.0
173.13255	7.7
177.09105	13.6
182.11014	2.9
187.11217	4.3
187.14827	100.0
191.10588	5.8
197.13222	10.2
205.15851	17.1
215.14319	50.8
233.15367	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	233.1537
Annotation	alantolactone
Peak:m/z	Relative Intensity
51.21032	0.3
53.03938	1.4
55.01869	0.7
55.05261	0.4
55.05516	5.7
55.32400	0.3
57.07069	1.4
58.31844	0.3
65.03936	1.3
67.05177	0.6
67.05513	8.9
69.03439	0.4
69.07076	4.6
70.67390	0.4
70.67747	0.8
73.02909	1.2
77.03918	0.6
79.05499	11.5
81.07064	25.7
83.04944	0.5
83.08632	1.9
83.09041	0.3
91.05489	20.7
93.03416	0.4
93.07053	21.5
95.04982	1.9
95.08615	20.9
97.06554	0.8
97.10158	0.4
103.05462	1.7
105.07040	36.7
107.05000	0.8
107.08604	16.7
109.06538	0.9
109.10164	6.3
111.08118	0.8
113.06001	0.4
113.73218	0.3
115.05464	1.4
116.06247	1.3
117.07030	10.4
118.07695	0.3
118.10815	0.3
119.04951	1.1
119.08590	19.0
121.06515	2.1
121.10168	6.0
123.04420	0.4
123.08069	0.6
123.11678	0.6
125.06000	2.6
127.07571	0.5
128.06203	0.6
129.06982	2.0
130.07808	2.5
131.08582	40.1
132.09331	0.5
133.06497	1.4
133.10143	11.1
134.10895	1.1
135.04393	1.3
135.08060	1.8
135.11711	2.0
137.06003	2.8
139.07562	3.9
141.06953	0.5
142.07791	0.7
143.08597	3.6
144.09341	1.8
145.06503	1.1
145.10136	36.9
146.10822	0.6
147.08049	0.9
147.11713	7.4
148.12517	0.5
149.05968	1.5
149.09602	1.0
149.13263	1.1
151.07607	2.3
153.09167	0.7
154.07668	0.4
155.08568	3.3
156.09378	1.1
157.10141	2.5
158.07355	0.4
158.10944	1.1
159.08084	4.5
159.11702	18.7
161.13271	13.7
163.07529	2.8
165.08983	0.7
167.08566	1.6
168.09315	0.4
169.10147	2.3
171.11694	1.9
172.12471	1.5
173.09639	3.8
173.13307	1.8
177.09116	8.6
179.10658	0.6
182.10947	2.3
185.13251	1.4
187.11397	3.4
187.14836	100.0
188.15205	0.6
189.16495	1.6
191.10666	2.4
197.13277	6.9
205.15907	4.2
215.14333	23.8
217.34628	0.4
233.15387	43.0
234.15811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03945	2.9
55.05511	9.5
57.03433	2.0
67.05510	22.8
69.07073	11.2
70.52673	5.3
73.02881	2.0
79.05141	1.7
79.05505	21.8
81.07060	56.2
83.04949	2.9
83.08624	3.2
83.09416	2.0
91.05482	42.0
92.05386	1.8
93.03373	2.5
93.07047	45.8
93.29463	1.8
95.04977	8.1
95.08613	54.3
97.10143	2.0
99.04410	2.5
103.05495	2.4
105.07036	70.1
107.08601	32.9
109.06519	8.6
109.10138	12.0
111.08089	2.4
115.05415	5.5
116.06286	3.3
117.07030	25.6
119.04945	7.5
119.08586	40.2
121.06508	8.1
121.10158	17.2
123.08076	4.2
127.07537	3.0
128.06270	2.3
129.07019	5.3
130.07796	4.7
131.08575	57.5
133.06464	9.6
133.10138	26.0
134.10909	4.1
135.04359	2.9
135.08043	13.5
135.11696	2.3
137.05998	6.1
139.07532	5.6
141.07048	2.3
142.07738	3.0
143.08566	6.4
145.06505	5.3
145.10126	58.9
147.08080	4.6
147.11703	14.9
149.05911	2.1
149.09627	5.0
151.07561	14.8
155.08551	11.0
156.09346	2.6
157.10153	10.3
158.07259	2.4
159.08115	12.1
159.11703	40.9
161.09621	3.6
161.13263	44.6
163.07480	5.9
165.09111	3.2
167.08542	3.6
169.10133	7.8
171.11740	5.6
173.09634	13.1
173.13214	7.5
175.11142	6.5
177.09122	18.4
182.10965	4.3
187.11208	5.9
187.14836	100.0
189.16412	2.6
191.10699	7.8
191.14293	2.9
197.13257	16.9
201.09030	2.2
205.15891	7.4
215.12263	3.2
215.14326	56.9
233.08115	2.4
233.11768	3.6
233.15372	81.7
233.36142	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.05515	10.1
65.03945	2.4
67.05508	20.9
69.03421	3.6
69.07066	8.9
70.43758	4.3
70.44080	2.1
77.03941	2.7
79.05495	20.2
80.86562	1.7
81.07065	48.2
82.40482	1.6
83.04964	3.7
91.05484	41.3
93.03392	2.4
93.07052	37.7
95.04972	4.2
95.08614	52.3
97.06525	2.2
103.05483	3.0
105.07034	57.5
107.04975	2.8
107.08613	25.6
109.06499	3.6
109.10149	13.2
111.08067	2.0
115.05446	4.1
116.06228	1.9
117.07030	25.3
119.04950	6.6
119.08585	40.0
121.06519	5.2
121.10155	15.3
123.04539	1.9
123.08065	4.9
123.11720	2.3
124.76176	1.6
125.05938	2.8
129.07013	7.2
130.07764	2.6
131.08575	54.5
133.06479	6.2
133.10147	21.5
135.08086	11.0
135.11688	3.8
137.05966	7.3
139.07539	5.9
141.07019	4.4
142.07829	2.3
143.08572	6.6
144.09326	3.2
145.06500	4.7
145.09065	3.4
145.10139	52.1
147.08037	6.8
147.11693	14.2
149.06012	3.6
149.09653	3.5
151.07570	8.4
153.09117	4.2
155.08568	7.9
156.09341	3.8
157.10156	7.1
159.08080	12.8
159.11700	35.8
161.09610	5.1
161.13264	39.7
163.07567	8.6
163.11179	2.1
165.09123	2.1
168.09261	2.0
169.10153	8.5
171.11708	4.8
173.09642	12.8
173.13268	7.3
175.11214	3.8
177.09120	14.9
182.10973	3.9
187.11354	8.3
187.14839	100.0
191.10736	4.9
197.13284	14.4
205.15799	5.9
215.14314	49.7
233.15378	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.30575	0.4
50.42770	0.4
51.33795	0.5
52.75355	0.4
53.40981	0.4
55.05513	1.0
56.05038	17.7
56.96565	0.6
57.03442	3.4
58.06604	3.4
62.73967	0.4
62.90337	0.4
63.42035	0.4
67.05495	0.8
69.03419	0.5
69.07072	0.9
69.24614	0.4
70.73415	0.4
71.15971	0.7
72.08150	0.4
74.06082	100.0
75.04491	1.2
79.05503	1.1
81.07057	2.8
84.04512	3.5
84.08195	0.4
85.02906	0.8
86.09708	22.0
87.24255	0.4
90.94832	0.5
91.05480	1.8
93.07045	1.4
95.04986	0.5
95.08620	2.0
97.02895	0.6
98.97586	1.1
101.07150	1.6
105.07047	3.1
107.08604	1.7
107.22891	0.3
109.06496	0.4
109.10175	0.4
117.07013	0.9
118.06277	0.6
119.08601	1.9
121.06545	0.8
123.08086	0.4
131.08533	2.3
132.10213	16.5
133.10144	1.1
135.08060	0.4
137.06058	0.5
142.12250	0.6
144.05821	0.4
145.06537	0.6
145.10121	2.2
147.11731	0.7
151.07602	0.5
153.30132	0.4
159.11739	1.3
160.07608	0.7
161.13263	1.1
169.13425	1.4
173.09715	0.4
177.09119	0.8
187.08693	1.2
187.14566	13.7
191.03461	0.5
194.42178	0.5
197.13210	0.6
204.07318	0.7
205.08598	0.5
212.06378	0.5
215.14064	5.4
233.08116	0.7
233.10083	0.9
233.15108	11.8
234.07568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1546
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
52.11455	0.2
55.05500	0.2
56.64479	0.2
56.96557	0.3
57.03440	1.6
58.06617	0.3
60.08169	7.9
60.96210	0.2
67.05506	0.2
69.03437	0.3
69.07076	0.3
70.06605	1.4
71.04988	2.1
71.39012	0.3
72.08161	0.5
73.08494	0.5
79.05519	0.2
81.07078	0.2
84.08154	0.4
85.02911	100.0
86.03229	0.2
86.09708	0.3
91.05467	0.3
95.04959	0.3
102.85342	0.2
124.11234	0.2
144.10229	1.7
168.06598	0.2
169.28519	0.2
170.11774	3.2
173.08110	9.0
174.12801	0.4
186.02290	1.3
186.13600	0.3
203.07054	0.4
204.06680	0.3
214.05017	0.5
214.08774	0.2
214.10695	0.3
215.07045	0.3
217.10944	0.5
232.06258	0.4
232.10062	1.1
232.13449	1.8
232.15439	20.7
233.15588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.5
57.07064	11.5
67.05488	15.3
69.07077	22.9
69.85597	19.3
79.05489	19.6
81.07059	50.9
83.08627	18.2
85.06568	8.2
91.05460	11.6
93.07041	38.0
95.08614	80.7
97.10170	9.7
99.08130	3.7
105.07039	11.6
107.08605	55.1
109.10161	28.4
111.08085	4.4
111.11710	5.0
117.07030	5.3
119.08565	6.1
121.10139	62.7
123.11693	11.6
128.06140	5.7
129.06999	6.2
131.08571	9.4
135.11693	20.6
137.13281	9.8
142.07788	5.5
143.08604	20.3
145.10123	16.3
149.13217	7.3
157.10098	6.9
159.11665	8.4
160.47771	3.7
161.09593	3.9
163.72424	3.4
165.16367	7.5
171.07861	4.2
173.09631	6.4
175.07558	5.2
177.16396	100.0
185.13245	37.5
195.17487	24.5
198.37944	3.5
213.12709	8.0
231.13779	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	232.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95568	4.0
55.01871	6.1
56.96572	19.1
57.03439	5.8
57.07061	3.7
60.08167	4.5
67.05519	7.6
69.03429	13.0
70.06602	28.3
70.53292	3.6
71.04973	7.1
71.54382	4.7
72.08168	6.1
73.02916	5.2
74.27711	4.2
74.77909	3.7
79.05471	6.0
80.05042	4.5
81.03423	5.1
81.07090	4.5
82.05882	3.6
83.04984	3.8
84.04490	8.6
84.08151	11.7
85.02911	100.0
85.06522	5.0
86.09721	4.0
91.05460	7.8
93.11414	3.7
94.06575	4.9
96.08163	6.7
97.02891	16.4
98.06082	4.4
98.97588	15.8
105.07049	5.6
110.06037	3.9
112.07583	3.9
114.09196	5.4
116.98615	8.9
117.07059	6.5
124.11255	5.7
128.98602	8.8
130.06534	6.1
134.06065	6.4
134.99673	5.3
140.07054	4.7
142.08641	5.5
144.08958	5.3
144.10208	5.2
158.99628	4.6
161.05981	7.2
162.06392	9.5
170.11801	12.7
173.08176	7.3
174.12802	7.4
175.07373	7.0
186.02164	22.4
186.09169	9.2
186.11278	5.0
186.13527	5.0
204.07347	6.2
214.10661	7.2
226.98656	8.7
232.03900	6.1
232.07127	25.3
232.09734	28.3
232.11737	11.7
232.13516	17.3
232.15445	12.7
232.17209	9.2
237.02760	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	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77411	1.4
54.06971	1.4
55.05511	17.4
57.03441	3.1
57.07079	8.8
59.04981	2.6
62.43016	1.5
63.29995	1.5
67.05510	14.6
67.76957	1.5
69.07066	24.2
70.85378	3.0
71.04988	5.6
79.05493	19.7
81.06584	2.4
81.07063	46.2
83.08627	17.2
85.06547	15.3
91.05499	6.4
92.32654	1.4
93.07050	34.4
95.08612	76.7
97.10168	11.4
99.08087	4.5
101.01411	1.5
105.07046	6.1
107.08604	54.1
109.10165	31.6
111.08094	2.3
111.11703	2.8
117.06992	2.0
119.08588	2.7
121.10148	68.8
123.11716	8.8
125.09650	3.8
129.07004	2.6
135.11708	18.6
137.13277	8.3
139.11183	5.6
143.08539	2.8
145.10144	3.1
149.13268	7.1
151.14812	3.2
157.10146	3.0
165.16431	5.6
171.11711	1.8
176.40173	1.8
177.16394	100.0
183.17451	5.3
185.13289	5.5
195.17456	28.6
213.12941	2.0
213.18402	2.6
231.13881	3.5
240.10527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05589	0.9
53.03934	2.2
55.01878	1.6
55.03667	1.1
55.05262	1.1
55.05514	13.7
57.03432	1.1
57.07087	7.8
59.05026	1.2
65.17299	0.9
67.05226	1.0
67.05515	11.9
67.29856	0.9
69.06722	1.5
69.07075	21.0
71.04986	3.7
71.08627	1.4
71.40427	1.5
79.05502	13.7
81.07064	45.3
83.04974	1.1
83.08624	15.5
85.06553	9.0
85.10240	1.4
91.05501	5.6
93.07047	31.4
95.08613	68.2
96.08945	1.3
97.06513	1.7
97.10188	8.8
99.08089	7.6
105.07035	4.3
107.08601	43.5
109.10164	29.1
109.10928	1.4
111.08080	4.3
111.11687	2.8
113.09647	2.3
121.10153	58.3
123.10873	1.7
123.11685	8.8
123.79304	1.0
125.09644	2.7
129.06967	1.0
131.08566	1.0
133.10127	2.0
135.11705	17.8
137.13264	9.0
139.11183	4.4
145.10135	1.3
149.13269	6.8
151.14888	2.1
165.16406	6.4
177.16403	100.0
178.16747	1.2
183.17488	5.5
193.30852	1.2
195.17474	26.6
213.18489	2.1
213.76945	1.0
231.13821	2.2
231.19667	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
55.05497	5.0
65.03944	1.9
67.05521	9.5
68.52662	1.3
69.03420	1.7
69.07054	3.1
70.00130	5.3
70.96029	1.5
71.04998	1.8
79.05504	13.5
81.07059	35.0
91.05489	35.6
93.07046	17.7
93.43382	1.5
95.04955	4.2
95.08609	14.1
103.05460	4.3
105.07030	40.9
106.34973	1.5
107.04963	1.5
107.08606	8.6
109.06480	2.3
109.10152	1.9
115.05441	5.3
116.06263	1.8
117.07024	25.4
119.04937	2.4
119.08578	19.6
121.06491	4.9
121.10152	3.4
123.04425	2.0
128.06227	22.4
129.07028	33.5
130.07799	7.0
131.08577	51.6
132.09343	6.4
133.06477	5.0
133.10150	9.4
135.04391	1.6
135.08104	1.5
137.05965	6.7
140.41586	1.7
141.06990	6.3
142.07782	18.0
143.08572	74.6
144.09352	3.7
145.06502	3.4
145.10133	34.5
146.07344	2.0
146.10895	6.6
147.08037	4.9
147.11670	2.1
147.47105	1.6
149.06020	2.6
151.07524	5.5
155.06030	1.9
155.08549	7.3
156.09329	7.3
157.06557	7.1
157.10146	52.2
159.08093	2.5
159.11702	23.8
161.05972	6.4
161.09621	7.8
163.07520	2.4
165.07010	6.4
167.08565	3.4
169.06558	1.5
169.10168	4.2
170.10925	9.1
171.08093	10.5
171.11667	12.8
173.09618	14.0
175.07559	18.8
175.11168	2.7
180.09386	4.3
183.08116	1.7
183.11697	2.6
184.08870	2.0
185.09669	23.6
185.13272	100.0
187.14807	4.0
189.09134	9.5
189.12761	13.2
195.11687	11.7
195.97127	1.7
195.98982	1.6
198.10352	2.8
203.10655	8.9
203.12350	1.5
203.14340	6.2
213.12758	26.0
231.13808	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03945	0.6
55.05517	12.1
56.05019	0.3
57.05814	1.0
67.05508	0.5
69.03443	0.5
69.07076	0.3
70.06575	0.2
70.87152	0.5
71.02516	0.2
71.05002	0.3
72.08160	100.0
73.02916	0.2
73.08493	0.4
79.05507	0.8
79.30295	0.2
81.07058	1.6
83.04964	0.2
85.02917	0.4
86.09715	5.5
89.28652	0.2
91.05488	2.0
93.07061	1.0
95.04995	0.3
95.08619	0.7
97.02934	0.3
103.05487	0.3
105.07037	2.4
105.25908	0.2
107.08591	0.5
109.06548	0.2
115.05499	0.7
117.07053	0.7
119.08585	1.8
121.06506	0.3
121.10205	0.3
123.04470	0.2
128.06233	1.1
129.07014	1.9
130.07797	0.2
131.08568	2.6
132.09331	0.4
132.10222	3.1
133.06476	0.3
133.10190	0.4
137.05998	0.3
141.07024	0.5
142.06801	0.3
142.07768	1.2
143.08572	4.0
144.09373	0.2
145.06517	0.3
145.10135	2.2
147.04468	0.3
147.08072	0.3
149.06020	0.3
153.07088	0.2
155.08536	0.2
156.09373	0.8
157.06538	0.5
157.07678	0.3
157.10143	2.6
159.11674	1.6
161.05994	0.4
161.09647	0.3
165.07043	0.4
169.10138	0.4
170.06042	0.3
170.10927	0.5
171.08099	0.7
171.11725	0.5
173.09625	0.4
175.07571	1.0
180.09413	0.2
183.11722	0.3
185.07164	1.9
185.09688	0.4
185.13264	7.0
185.14851	0.4
185.16447	1.0
186.13533	0.2
187.08778	0.5
187.11194	0.3
187.14925	0.5
189.09174	0.6
189.12701	0.3
195.11789	0.9
203.10733	0.5
203.14326	0.5
211.49408	0.2
213.12741	1.7
224.08037	0.2
231.07639	2.7
231.10242	0.5
231.13890	5.5
231.17116	2.2
240.26921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03941	1.8
55.01885	1.4
55.05516	5.6
65.03928	1.7
67.05506	6.9
69.07067	2.9
70.97601	1.9
70.97936	0.9
79.05499	9.5
81.07063	19.5
91.05479	20.0
93.07047	11.2
95.04974	3.3
95.08609	13.5
96.53971	1.0
100.36345	0.9
101.28699	0.9
103.05467	3.2
105.07037	29.0
107.04980	2.3
107.08598	8.2
109.06486	1.0
109.10136	1.6
115.05468	4.3
116.06207	1.0
117.07018	15.7
119.04917	3.0
119.08593	11.4
121.06496	2.8
121.10202	2.0
128.06219	14.9
129.07022	25.0
130.07779	3.4
131.08569	25.8
133.06503	3.4
133.10138	5.3
135.08104	2.1
137.05983	3.4
141.06969	3.7
142.07790	14.4
143.08572	46.4
143.09703	2.3
144.09406	2.2
145.06494	2.6
145.10132	28.8
146.10814	1.9
147.08057	5.8
149.05957	1.9
151.07547	3.7
153.07042	1.5
155.08528	7.2
156.09344	5.9
157.06480	4.0
157.10136	37.2
159.10457	1.3
159.11707	23.2
161.05975	5.8
161.09618	3.0
161.13258	1.6
163.07573	1.4
165.07042	4.8
167.08540	1.6
169.10115	2.4
170.10919	8.9
171.08080	6.3
171.11671	5.3
173.09628	4.7
175.07562	18.7
175.11208	1.9
177.16371	1.2
180.09352	3.6
183.11699	3.6
185.09721	3.3
185.13271	100.0
186.13713	1.9
187.14850	4.7
189.09142	7.9
189.12762	1.5
195.11708	8.5
198.10342	1.6
203.10687	2.3
203.14307	6.4
213.12746	21.7
231.13814	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
55.05501	5.1
61.36994	1.0
64.91760	1.1
67.05508	6.9
69.07062	3.3
70.19699	5.2
79.05492	8.5
81.07055	14.6
81.46723	1.0
91.04963	2.1
91.05481	25.2
93.07049	13.1
95.04985	1.5
95.08607	18.5
97.06586	1.3
103.05466	4.3
105.07032	25.0
107.04951	4.1
107.08611	8.4
115.05458	3.8
116.06244	1.9
117.07030	17.3
119.04942	4.4
119.08585	17.1
121.06528	4.4
124.75760	1.1
128.06235	15.2
129.07007	28.1
130.07771	5.3
131.08572	29.2
132.09328	1.5
133.06499	5.2
133.10129	4.2
135.08069	2.2
137.05980	4.5
141.07019	4.1
142.07784	15.8
143.08568	49.5
144.09302	2.9
145.06497	2.2
145.10118	24.8
146.10936	3.7
147.08041	4.0
148.36415	1.3
149.05923	2.1
151.07520	2.5
153.07002	2.7
155.06085	1.4
155.08571	7.7
156.09372	11.5
157.06497	3.5
157.10132	37.3
158.10826	1.3
159.08141	1.9
159.11696	30.5
161.05989	12.5
161.09637	2.7
165.07007	3.8
168.09349	1.4
169.10205	2.4
170.10872	8.0
171.08058	8.2
171.11717	4.3
173.09621	2.9
175.07570	19.0
175.11203	1.4
180.09355	3.0
183.08177	2.1
183.11667	1.7
185.09689	4.1
185.13271	100.0
186.13760	1.5
187.14818	2.8
189.09079	10.0
195.11729	8.3
198.10443	3.1
203.10748	1.4
203.14331	3.8
213.12746	17.0
231.13821	56.4
231.31381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Kauniolide
Peak:m/z	Relative Intensity
55.05503	4.3
57.07050	1.7
63.38633	1.2
65.03960	1.4
67.05500	7.5
69.07052	4.3
70.18851	1.8
70.19229	2.4
79.05505	8.6
81.07062	19.0
91.05488	19.9
93.07050	14.8
95.04967	2.8
95.08607	11.2
103.05476	2.4
105.07039	35.4
105.22233	1.4
107.08598	9.6
109.06502	1.7
115.05446	2.7
116.06216	1.4
117.07030	14.8
119.04888	2.0
119.08589	18.2
121.06485	3.1
121.10169	2.1
128.06215	17.9
129.07013	21.7
130.07767	4.1
131.07602	1.6
131.08580	30.7
133.06512	3.9
133.10149	6.6
137.05986	2.5
141.06926	2.7
142.07793	14.4
143.08568	51.7
144.09297	5.3
145.06454	2.3
145.10141	27.2
146.10837	2.5
146.97905	1.2
147.08043	3.7
149.05997	2.9
151.07529	3.9
155.08574	8.6
156.09340	7.6
157.06511	7.7
157.10141	42.5
158.10579	1.2
159.11700	34.9
161.05972	1.9
161.09619	3.2
163.07516	4.0
165.06969	3.1
169.10126	1.8
170.10953	13.4
171.08076	9.4
171.11696	4.1
175.07571	12.6
175.11343	1.5
180.09361	3.6
183.11719	2.7
185.13268	100.0
186.13672	1.3
187.14833	7.7
189.09172	10.0
195.11696	14.0
198.10370	1.7
203.10606	1.8
203.14348	5.3
213.12741	27.9
231.13811	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03945	3.0
55.05507	6.5
58.02849	1.4
62.36187	1.5
65.03940	1.7
65.23988	1.5
67.05507	7.6
69.07079	3.1
70.88657	2.4
71.05005	1.7
71.19011	1.6
77.07626	1.6
79.05499	11.6
80.05818	3.7
81.07065	22.2
82.03763	1.4
91.05485	21.9
92.05815	4.1
93.06151	3.0
93.07045	17.7
95.04974	4.8
95.08612	11.6
97.06499	1.8
103.05466	3.1
105.07042	41.1
106.07370	3.7
107.08589	5.1
109.06544	2.5
115.05456	4.5
116.06207	2.3
117.07027	17.3
118.07370	2.6
119.04976	3.9
119.07784	3.2
119.08589	21.5
121.06499	3.2
128.06230	14.8
129.07033	27.2
130.07727	5.7
131.07706	3.5
131.08577	31.0
133.06566	2.4
133.09218	2.3
133.10089	7.4
135.08049	2.7
137.05994	2.4
141.07007	6.6
142.07817	15.2
143.08595	54.9
144.08418	1.6
144.09328	2.8
145.06544	2.4
145.10146	58.4
147.08040	5.4
151.07550	4.3
153.07028	4.3
155.08630	13.6
156.09372	9.4
157.06500	8.0
157.10237	37.8
158.07109	2.3
158.10513	3.0
159.08060	2.3
159.10617	3.8
159.11842	16.8
161.09656	3.5
161.13257	4.5
165.07040	4.2
168.09334	4.6
169.10196	3.7
170.09952	6.0
170.10989	5.7
171.08044	6.7
171.11678	6.2
172.12144	1.6
173.09636	30.6
174.10081	1.8
175.07590	9.1
180.09401	2.5
183.11739	9.3
184.12044	3.9
185.09750	3.2
185.13358	100.0
186.13605	2.4
187.11179	1.6
187.14873	8.4
189.09123	6.4
189.12810	4.1
193.10072	1.7
195.11902	11.7
202.09453	3.1
203.09584	13.8
203.14264	6.8
213.12903	22.2
231.13965	69.3
231.17374	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	231.138
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03941	1.4
55.01879	1.2
55.05499	4.3
67.05513	1.5
70.75433	2.9
79.05488	5.2
81.07069	20.2
85.18430	1.1
91.05487	14.7
93.07065	11.4
95.04993	1.6
95.08608	6.0
97.06494	1.6
103.05473	2.4
105.07039	31.0
105.80488	1.1
107.08588	3.7
115.05449	2.8
116.06229	1.3
117.07028	9.1
119.08578	14.2
121.06500	2.6
128.06235	11.5
129.07016	18.4
130.07793	3.4
131.08572	28.0
133.06479	1.8
133.10135	1.4
141.07002	3.3
142.07759	8.5
143.08571	44.3
143.09702	2.3
144.09323	3.2
145.10130	29.2
147.08037	5.5
151.07567	2.5
155.08559	4.9
156.09354	6.3
157.06561	7.6
157.10153	23.1
159.07983	1.2
159.11711	13.5
161.09615	4.1
165.06987	3.9
169.08510	1.1
169.10091	2.8
170.10933	4.9
171.08051	5.0
171.11713	3.0
173.09576	1.7
174.43234	1.4
175.07558	8.9
175.14821	1.3
180.09352	4.3
183.11678	2.4
185.13277	100.0
187.11212	2.4
187.14792	6.6
189.09126	8.6
195.11713	9.2
198.10420	1.6
203.10660	2.3
203.14343	4.7
213.12775	16.3
231.13815	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	231.138
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03941	2.7
54.36538	1.4
55.05498	5.6
67.05499	3.4
69.03394	1.5
69.07095	1.5
73.02949	1.6
75.73534	1.7
79.05492	12.6
81.07060	62.4
91.05479	21.8
93.07047	21.0
95.04972	2.5
95.08614	11.2
96.10043	1.5
103.05449	2.3
105.07041	45.0
107.08623	9.5
115.05518	1.9
116.06216	1.8
117.07024	14.0
119.04996	1.8
119.08597	11.4
121.06502	2.3
125.06004	2.1
128.06230	16.3
129.07007	24.1
130.07794	5.6
131.08577	38.9
133.06505	9.4
133.10086	2.2
137.05968	2.5
141.06987	3.7
142.07761	11.2
143.08560	67.4
144.09421	1.8
145.10133	40.6
147.08069	5.6
151.07542	13.3
155.08551	5.3
156.09317	4.5
157.06459	6.2
157.10138	24.4
158.10803	1.7
159.08093	2.2
159.11728	12.8
165.06944	1.9
170.10918	7.0
171.08076	6.2
171.11688	2.8
175.07608	14.0
180.09364	3.1
183.11684	1.8
185.13271	100.0
186.13615	2.3
187.14857	9.4
189.09137	11.4
195.11705	7.1
203.14360	6.2
213.12755	48.5
220.19348	1.5
231.13811	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	231.1379
Annotation	Kauniolide
Peak:m/z	Relative Intensity
53.03932	3.3
54.14665	1.4
55.01852	2.0
55.05517	8.0
57.07070	1.4
65.03932	1.4
67.05511	10.2
69.03422	2.2
69.07050	6.0
69.78738	7.5
71.04968	1.2
79.05489	14.1
81.06595	1.4
81.07057	21.2
83.08624	2.0
91.05483	20.4
93.07043	15.9
95.04971	3.5
95.08046	2.3
95.08614	25.7
97.06525	1.7
103.05434	4.3
105.07033	27.2
107.04939	2.2
107.08601	13.9
108.15730	1.3
108.72685	1.2
109.06499	3.6
109.10130	5.7
115.05433	3.5
116.06197	1.3
117.07024	17.6
119.04929	1.9
119.08578	19.3
119.74240	1.3
121.06497	5.6
121.10156	12.4
123.11673	1.8
128.06232	15.0
129.07014	29.3
130.07755	4.1
131.08577	30.9
133.06479	5.0
133.10141	7.4
135.11702	3.7
137.05965	4.4
141.06982	3.8
142.07802	11.2
143.08565	47.4
144.09332	3.3
145.06482	1.7
145.10124	29.7
145.11258	1.5
146.10884	2.9
147.08060	6.3
147.11670	1.5
148.11932	1.9
149.05972	2.3
151.07544	4.4
155.08592	6.8
156.09402	6.6
157.06468	5.3
157.10141	32.3
159.08058	2.8
159.11705	31.8
161.06010	8.3
161.09561	4.1
163.07542	1.9
165.06950	3.9
167.08595	1.8
169.10149	3.3
170.10966	8.0
171.08070	8.4
171.11641	7.4
173.09656	5.1
173.13258	1.3
175.07547	26.9
175.14803	1.4
177.16400	12.5
180.09311	4.7
182.21317	1.2
183.08191	1.7
183.11595	2.2
185.09671	4.6
185.13269	100.0
186.13553	1.6
187.11092	1.7
187.14795	3.6
189.09123	7.2
189.12737	3.0
190.13092	4.0
195.11702	11.3
195.17444	2.9
198.10359	2.8
203.10632	1.6
203.14273	7.3
213.12747	26.1
225.06126	1.3
231.06499	3.0
231.13785	75.2
231.15610	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	231.138
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.18399	0.8
55.05519	4.7
67.05503	3.7
69.07069	1.6
70.88443	2.2
76.44604	0.7
79.05503	4.6
81.07061	12.9
91.05489	13.1
93.07059	8.6
95.04976	2.0
95.08609	5.7
103.05455	1.6
105.07037	21.0
107.08614	4.0
115.05455	2.1
117.07021	10.6
119.04909	1.0
119.08580	13.9
128.06218	9.5
129.07022	16.9
130.07800	2.8
131.08580	29.2
133.06477	1.0
133.10133	2.6
137.05936	1.6
141.06996	2.4
142.07808	7.2
143.08574	43.9
144.09325	3.4
145.06490	1.1
145.09041	1.6
145.10136	24.6
147.08018	5.3
149.06010	1.5
151.07582	2.1
155.08606	3.9
156.09361	5.8
157.06487	6.6
157.10147	24.1
159.08112	1.4
159.11685	12.1
161.06044	1.5
161.09650	1.1
165.06998	4.0
168.09329	1.3
169.10115	1.7
170.10889	4.1
171.08057	6.1
171.11728	3.7
175.07555	9.1
177.09106	1.1
180.09293	4.8
183.11731	2.3
185.13277	100.0
186.13773	1.6
187.14861	7.8
189.09131	5.8
195.11714	12.8
198.10449	0.8
203.10670	1.5
203.14354	2.9
213.12758	14.9
218.23366	1.1
218.54413	1.1
231.13823	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
50.44904	1.1
53.03945	1.4
55.05500	4.9
67.05502	3.7
69.07070	1.7
69.50224	6.3
79.05500	6.0
81.07064	16.6
86.37805	1.1
91.05489	18.2
92.38715	1.0
93.07050	11.4
95.04974	1.1
95.08612	7.5
97.06512	1.2
98.21476	2.1
100.18445	1.1
103.05482	2.3
105.07039	30.1
107.08604	5.3
109.06549	1.2
115.05444	3.8
116.06297	1.4
117.07042	12.0
119.04937	1.3
119.08595	11.5
121.06509	1.4
122.88692	1.0
123.09506	0.9
128.06233	12.3
128.28860	1.0
129.07019	23.3
130.07774	4.1
130.98164	1.0
131.04749	1.0
131.08585	36.3
133.06488	1.8
133.10173	2.0
137.06059	1.8
141.06984	1.7
142.07796	8.6
143.08575	46.7
143.09700	2.3
144.09314	2.9
145.06517	1.4
145.10143	27.3
147.08070	4.9
149.06012	1.5
151.07556	1.9
155.08537	6.6
156.09361	4.3
157.06477	9.5
157.10136	25.1
159.08099	2.0
159.11693	15.9
161.09720	1.6
165.06989	3.1
167.08592	2.0
169.10109	1.5
170.10928	5.6
171.08058	5.4
171.11679	2.5
175.07596	10.6
180.09370	5.1
183.11714	2.1
185.13280	100.0
186.13803	1.3
187.14832	9.1
189.09117	8.6
195.11726	13.7
198.10451	1.2
203.10681	1.2
203.14293	4.2
205.55885	1.0
213.12752	16.4
231.13817	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	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03942	4.3
55.05496	7.9
67.05491	7.6
69.03437	2.3
69.07069	3.3
70.43792	6.4
71.35505	1.9
79.05510	11.4
81.03403	2.6
81.07056	30.1
83.69732	1.8
91.05480	21.1
93.07035	19.9
95.04961	4.7
95.08601	15.1
102.39349	1.9
103.05454	3.5
105.07034	45.8
107.04934	3.5
107.08598	12.8
109.02862	2.6
109.06505	3.1
109.10130	2.9
111.87508	2.1
115.05428	5.3
117.07021	16.6
119.04926	2.4
119.08593	22.9
121.06500	5.7
121.10145	5.3
123.08051	2.3
127.90045	2.0
128.06226	15.8
129.06145	2.6
129.07022	28.0
130.07765	5.6
131.08582	41.0
133.06467	3.9
133.10124	9.9
135.04480	2.7
137.05923	2.4
141.05962	1.9
141.06999	5.4
142.07770	13.2
143.08572	53.3
144.09351	3.9
145.06522	4.6
145.10133	43.6
146.10881	5.1
147.08038	5.8
149.05920	2.1
151.07518	5.6
155.08618	8.9
156.09346	7.2
157.06473	5.2
157.10146	33.9
159.08081	5.0
159.11702	23.5
161.05959	4.1
161.09630	8.5
161.13150	2.8
163.07570	2.4
165.07024	2.6
169.10094	3.8
170.10886	10.1
171.08040	8.9
171.11769	9.2
173.09637	10.6
175.07578	17.7
175.11172	2.8
179.72406	1.8
180.09262	3.1
185.09636	3.7
185.13280	95.9
186.13689	3.7
187.14865	4.6
189.09151	10.3
189.12801	10.8
192.82129	1.7
195.11711	9.9
198.10501	2.8
203.10622	7.4
203.14346	11.4
213.12756	29.1
231.13805	100.0
253.63873	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03931	2.9
55.05497	4.9
67.05496	1.8
69.07060	2.2
69.64244	7.6
79.05495	13.3
81.07065	34.7
88.82879	1.3
91.05479	17.6
93.07047	18.2
95.04969	2.5
95.08614	12.5
97.06558	1.6
103.05476	3.3
105.07036	31.6
107.08594	13.1
109.10210	1.7
115.05432	3.0
117.07043	13.1
119.04966	2.1
119.08594	17.8
121.06542	2.6
123.04432	1.6
128.06204	11.0
129.07007	18.9
130.07764	2.7
131.08574	31.8
133.06473	4.3
133.10143	3.5
137.06001	5.5
139.44005	1.4
142.07802	9.2
143.08568	51.8
144.09270	2.5
145.10127	32.0
147.08054	4.7
151.07562	7.2
155.08560	3.5
156.09322	5.6
157.06497	6.3
157.10135	29.4
157.11299	1.0
158.56529	1.6
159.11705	14.8
161.05972	2.8
170.10930	4.9
171.08058	5.1
171.11652	4.2
175.07535	15.9
175.11095	1.6
180.09332	4.3
183.11731	3.0
185.13268	100.0
186.13586	2.0
187.14815	8.3
189.09122	9.6
195.11688	9.5
203.10648	4.0
203.14334	4.5
213.12769	29.8
231.13814	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03944	3.5
55.05509	5.0
65.49955	1.3
67.05508	10.4
69.03425	1.9
69.07085	2.6
70.66356	4.3
79.05488	13.4
81.07064	52.9
85.82422	1.6
88.37804	1.3
89.06179	1.3
91.05486	19.6
93.07051	18.3
95.04965	3.6
95.08617	19.2
97.06516	1.5
98.20818	1.8
105.07040	33.5
107.08619	12.2
109.02904	2.2
109.06506	5.6
109.10161	4.3
110.55488	1.3
115.05466	2.7
116.06116	1.8
117.07031	13.0
119.08588	18.6
121.06480	7.0
121.10154	4.3
123.04427	2.2
125.50887	1.6
128.06238	16.2
129.07028	19.2
130.07791	3.9
131.08580	32.2
132.09340	2.0
133.06497	4.4
133.10146	7.6
135.08000	1.5
137.05969	2.7
141.06995	3.0
142.07736	9.9
143.08575	49.4
144.09315	2.6
145.10126	35.2
146.10889	5.3
147.08057	8.7
147.11768	2.7
149.05994	2.3
151.07530	4.8
155.08612	3.1
156.09361	4.2
157.06482	3.5
157.08929	2.9
157.10144	29.3
159.08090	3.4
159.11700	21.7
159.31035	1.5
161.06004	5.5
161.09653	5.9
163.07480	2.1
165.06984	4.0
169.09941	1.7
170.10913	7.9
171.08058	9.1
171.11664	4.2
173.09566	3.4
175.07555	19.2
175.11177	3.7
175.14856	2.4
180.09355	3.1
183.11693	2.8
185.13281	89.3
187.14845	3.5
189.09128	13.5
189.12727	1.9
195.11707	10.5
198.10413	2.8
203.10587	1.9
203.14333	15.0
213.12766	22.1
231.13828	100.0
232.14137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
55.05512	6.0
67.05508	7.9
69.07076	3.5
71.37944	1.5
75.07544	1.2
75.21199	1.1
79.05482	7.8
81.07059	13.3
91.05483	17.4
93.07050	10.9
95.04980	3.0
95.08608	8.9
103.05452	1.5
105.06380	2.0
105.07036	26.6
107.08587	7.5
115.05455	4.5
116.06290	1.2
117.07032	13.9
119.08585	15.5
121.06494	2.1
121.10097	2.4
128.06204	10.3
129.07007	26.0
130.07829	2.9
131.08572	30.0
133.06500	2.3
133.10106	4.8
135.04424	2.2
135.34541	1.2
137.05937	1.8
141.07005	4.2
142.07774	13.1
143.08569	49.7
144.09297	3.3
145.06509	2.3
145.10132	29.7
147.08072	5.6
149.06049	1.6
151.07602	1.6
155.06093	1.6
155.08594	6.6
156.09369	6.2
157.06514	4.3
157.10129	29.5
159.11697	20.3
161.05980	2.1
161.09647	2.7
163.07579	2.8
165.07034	3.4
167.08553	1.9
168.09393	1.4
169.10066	1.9
170.10895	9.5
171.08023	5.0
171.11667	3.3
172.08728	1.2
175.07582	10.4
180.09364	3.9
183.11690	4.2
185.13268	100.0
186.13649	3.1
187.14822	7.2
189.09132	7.4
189.12714	1.5
195.11697	9.1
198.10408	2.2
203.10695	2.3
203.14371	5.8
213.12759	21.5
220.85913	1.1
231.13809	77.3
232.14305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03957	1.3
55.01862	1.1
55.05513	6.2
67.05484	3.5
67.52230	0.9
69.03435	1.1
69.07081	1.8
71.37069	1.4
73.02940	0.9
79.05487	4.7
81.07065	11.1
83.08584	1.0
89.35584	0.8
91.05474	13.8
93.07053	9.4
95.04958	2.2
95.08610	8.6
103.05465	1.5
105.06380	1.6
105.07031	20.4
107.08577	3.5
109.10218	1.2
115.05447	2.3
116.06229	1.3
117.07021	8.2
119.08594	14.3
121.06483	3.6
128.06221	10.0
129.07002	19.0
130.07774	3.4
131.08569	27.4
133.06490	1.8
133.10197	1.9
135.04352	1.2
135.08063	1.5
137.06020	1.6
141.07008	2.5
142.07756	9.2
143.08562	45.1
144.09279	3.6
145.06552	1.5
145.10129	27.3
147.08040	4.0
147.11644	0.8
149.05959	2.2
151.07556	2.0
155.06010	1.0
155.08604	5.1
156.09363	4.7
157.06476	6.3
157.10127	25.5
159.11707	10.7
161.05914	1.1
161.09576	2.0
162.38132	0.8
163.07536	2.3
165.06960	3.2
167.08640	1.4
168.09314	1.8
169.10143	1.5
170.10899	4.3
171.08078	6.0
171.11697	3.0
175.07550	11.1
177.09158	1.1
180.09329	3.9
183.11636	2.1
185.13266	100.0
186.13658	1.1
187.14850	8.1
189.09117	8.3
189.62675	0.9
195.11725	10.8
198.10504	1.5
203.10696	1.8
203.14355	5.1
213.12756	14.8
214.04578	1.0
231.13808	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	231.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01860	0.6
55.05517	0.5
56.05037	2.2
57.03408	0.5
69.03403	0.6
69.07076	0.6
69.53416	1.5
69.53842	1.9
71.05023	0.4
71.68673	0.4
72.08155	0.8
74.02448	6.5
79.05482	0.9
81.03427	0.6
81.07060	0.9
83.04991	0.7
83.47477	0.5
85.02902	1.1
90.74144	0.5
91.05498	1.5
93.07027	0.8
95.05003	0.6
95.08608	0.5
98.97607	0.6
102.05551	2.8
105.07025	2.4
109.06506	0.6
115.05440	1.3
117.05738	0.6
117.07037	2.7
118.06561	9.2
119.08585	1.6
123.55994	0.4
128.04968	0.5
128.06215	0.9
128.62801	0.5
129.07016	2.0
130.06544	26.8
131.08594	1.6
132.08109	1.3
133.10161	1.0
141.07011	1.4
142.06529	1.1
142.07773	0.7
143.07333	16.6
143.08549	2.8
144.08099	9.8
145.10135	1.1
146.06029	21.2
147.08078	0.8
154.06509	9.0
155.07256	0.6
156.08112	3.2
156.09253	0.8
157.06538	0.7
157.08882	3.1
157.10138	1.6
158.09668	100.0
159.04353	0.6
159.11809	0.6
160.07649	0.7
161.09698	0.8
168.08113	23.4
169.08920	2.1
170.06059	1.6
170.09689	1.7
171.11737	1.2
172.07542	1.4
173.09639	0.9
175.07565	0.8
185.06024	1.1
185.09439	0.8
185.10867	1.0
185.13408	2.5
187.12323	1.1
188.07088	26.7
189.12831	0.5
196.07608	2.0
213.05495	1.1
213.12711	1.3
214.08643	21.3
225.27206	0.5
231.06480	6.0
231.11301	11.5
231.13823	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	231.1017
Annotation	Naproxen
Peak:m/z	Relative Intensity
53.03933	1.0
55.01860	3.2
55.05511	2.2
67.05498	3.1
69.03426	2.5
69.07072	1.7
70.85259	2.1
72.50457	0.6
74.29684	0.8
79.05493	5.5
81.03431	1.7
81.07056	8.5
83.04990	1.1
85.02910	0.7
89.14867	0.6
91.05482	12.5
93.07047	5.6
95.04951	2.7
95.08603	4.0
97.41821	0.6
103.05485	3.0
105.04514	0.8
105.07033	13.0
107.04961	1.7
107.08597	2.2
109.06561	1.5
109.10154	1.3
111.04374	0.8
115.05469	5.2
115.07806	0.7
116.06227	1.1
117.07024	10.4
119.04922	1.4
119.08570	6.9
121.06506	9.2
121.10133	1.5
123.08064	0.9
128.06236	9.2
129.07019	21.4
130.07802	1.3
131.04932	4.1
131.08568	17.1
133.06523	1.6
133.10117	2.2
135.08031	1.5
137.05981	1.7
141.06993	11.9
142.07784	25.8
142.93236	0.8
143.04874	0.7
143.08575	20.5
143.09697	1.4
144.05725	4.1
144.09354	1.8
145.06497	10.5
145.10133	9.8
146.07281	9.0
147.08041	2.2
149.05934	1.2
152.06218	8.6
153.06996	2.7
154.07759	1.4
155.04939	1.1
155.06085	0.8
155.08615	4.4
156.09354	3.0
157.06511	6.6
157.10136	27.1
158.07220	1.8
159.08063	60.1
159.11665	6.9
161.05991	3.8
161.09641	3.6
165.07031	6.4
166.07777	1.9
167.08582	17.2
169.06470	7.2
169.07684	1.4
169.10132	1.8
170.07280	28.6
170.10927	2.3
171.08096	6.0
171.11678	3.4
172.08894	0.9
173.09628	3.9
175.07603	5.6
175.11174	2.9
177.16425	1.3
180.09329	0.9
183.08061	4.5
184.08870	1.6
185.09633	100.0
185.13226	28.5
187.11162	2.1
189.09119	4.3
189.12718	1.4
195.08061	13.3
195.11755	3.3
198.06787	8.9
203.10687	5.5
203.14328	2.2
213.09125	43.8
213.12540	8.4
225.11156	0.7
231.06685	1.6
231.10208	20.5
231.13792	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	230.9905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40549	3.9
55.05503	5.4
57.07043	4.9
67.05499	5.7
69.07046	4.7
70.06593	37.0
71.25234	9.3
79.05479	11.8
81.07054	17.7
84.04491	7.1
84.08138	6.2
86.09733	6.1
88.04005	21.2
88.55774	3.8
91.05489	23.8
93.07039	10.3
93.61282	4.1
95.05003	5.8
95.08626	8.8
97.02940	6.4
98.97601	6.4
101.00887	9.1
105.07043	28.8
107.08601	4.0
116.07092	44.4
117.07050	13.3
119.01905	25.8
119.08599	17.0
121.01694	4.9
125.07104	8.2
126.02924	4.2
128.06218	11.0
129.07054	21.7
131.01927	8.6
131.08589	24.9
133.01672	4.3
133.03482	9.6
142.07791	8.9
143.01953	8.0
143.08585	44.0
145.03351	4.6
145.06438	5.8
145.10130	29.6
147.08051	9.2
157.03476	6.7
157.06483	7.6
157.10115	31.6
159.11708	16.0
161.02948	12.2
170.10944	5.8
170.99518	4.8
171.07785	14.5
173.02962	5.7
175.07552	11.9
184.10703	4.2
185.13272	100.0
187.14902	7.9
189.02477	6.5
189.09102	6.6
195.11652	9.0
196.06073	25.2
213.12700	23.6
231.04433	4.6
231.06586	6.0
231.09895	9.3
231.13806	72.4
231.16142	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	230.154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84872	1.7
67.05516	2.2
67.72483	2.3
71.55916	1.6
81.07047	2.6
91.05475	9.9
93.07040	5.0
105.07061	16.3
107.08576	3.0
109.06512	3.3
115.05489	2.0
117.06996	4.8
119.08595	29.1
120.46091	2.0
128.06242	3.0
129.06981	3.2
130.07846	2.6
131.08565	9.1
133.06497	13.7
133.10138	3.9
141.06989	3.9
141.08026	1.7
141.09962	1.7
142.33594	1.6
142.34975	1.8
143.08542	7.3
144.08862	3.0
145.10136	32.5
146.10553	2.1
147.08006	4.0
147.11702	45.6
156.09380	10.7
157.10088	3.6
158.10567	4.0
159.08015	3.1
159.11662	3.1
169.09746	2.5
171.08110	1.9
171.11697	9.8
174.10370	2.5
175.07529	1.8
184.09508	3.8
184.12054	7.4
185.13252	5.4
188.11461	2.8
189.12746	100.0
202.13112	1.7
206.34326	2.0
212.11429	3.4
213.12654	2.3
230.05406	2.5
230.12640	5.7
230.15430	81.3
231.06493	3.5
231.13820	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	229.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78015	0.2
55.01874	0.6
56.96579	0.3
58.06601	5.9
59.07379	1.5
60.07875	0.5
60.08164	8.3
61.47859	0.3
68.05036	1.1
70.06593	38.4
71.06956	0.4
71.15072	0.5
72.08181	0.8
77.50836	0.2
84.04520	0.7
85.02910	0.3
86.09703	0.4
88.05402	0.2
96.08133	1.6
98.06060	1.0
98.97582	0.6
101.00896	0.7
114.05536	4.8
114.09147	1.9
115.24786	0.3
116.07104	1.0
116.98603	0.5
119.01911	1.9
124.07610	3.5
126.09109	0.6
129.07007	0.4
131.01848	0.3
137.02959	0.5
141.06950	0.3
142.08640	32.8
144.99841	0.3
155.08559	0.3
157.10107	0.6
165.04071	0.3
168.09332	0.6
170.08092	2.1
183.11684	1.2
187.00888	0.4
199.02467	0.3
201.09160	0.3
211.11217	0.5
229.15477	100.0
230.15697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29449	0.8
53.03928	0.9
53.48484	0.7
55.01860	2.2
55.05499	2.8
56.05031	1.7
56.96549	1.6
57.03419	3.4
65.03938	1.5
66.91643	0.9
67.05510	5.9
68.05026	1.9
69.03410	2.5
69.07072	5.2
69.59077	4.2
70.06604	5.3
71.04988	3.1
72.08131	2.4
73.02894	0.9
74.68054	0.8
75.04456	1.0
79.05495	4.6
80.05006	1.4
81.03382	1.1
81.07040	3.4
82.06575	6.9
83.04980	1.1
84.04510	5.6
84.08121	2.8
85.02906	1.4
85.06533	1.4
86.09698	3.5
91.05482	7.1
93.07038	3.5
94.06031	1.0
94.06577	15.1
95.04993	6.1
95.08585	2.8
96.04484	0.8
96.08118	3.0
97.02908	1.6
97.06535	1.3
98.06026	2.6
98.21476	1.3
98.97597	2.1
105.07037	5.9
106.06571	4.4
107.04945	1.2
107.07345	0.9
107.08577	3.4
108.08121	6.0
109.06506	5.3
110.06048	14.5
110.09669	2.4
111.04427	0.8
111.06814	2.6
111.08053	2.3
112.07605	3.6
113.05978	3.0
115.05487	0.9
116.06171	0.8
116.98597	1.1
119.04902	0.9
119.08595	1.7
120.08072	3.0
121.06502	3.0
121.10118	1.5
122.06038	30.8
122.09648	5.0
123.04424	1.4
123.06801	3.0
123.08088	1.2
124.07610	11.3
125.08400	1.0
126.05492	1.4
126.09160	2.2
129.06975	1.3
130.05026	1.4
130.40340	0.9
131.08568	3.5
132.08060	1.4
133.08868	2.6
133.09987	1.2
134.09685	4.6
135.04439	1.6
135.08037	2.3
136.07590	11.2
136.11171	4.3
137.05986	1.2
137.08325	1.8
138.09134	12.0
139.07562	4.2
140.07071	42.4
140.10693	1.0
142.08624	2.3
146.09691	1.6
147.08044	1.2
148.07593	1.9
148.11211	10.8
149.09616	6.5
150.09143	3.6
152.07036	2.2
153.75772	0.8
154.08635	54.1
155.08884	1.1
156.10226	3.2
158.97484	0.9
159.11369	0.8
161.08336	1.3
161.86815	1.0
162.39716	0.8
166.08659	1.4
166.12289	16.5
167.10663	4.2
168.02399	0.9
168.10344	4.0
169.03130	1.3
175.07547	1.0
176.10724	11.5
177.09103	1.3
179.29761	0.8
193.53679	0.8
194.08087	0.9
194.11775	28.2
195.08206	0.7
195.10258	1.2
198.07077	0.9
201.08090	0.9
212.09258	1.0
212.12836	20.3
213.05847	1.2
230.04613	1.3
230.12038	4.0
230.13876	100.0
231.06517	2.1
231.14131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
51.03970	0.2
55.01880	0.5
57.03422	0.3
57.14956	0.2
58.06602	5.9
59.07392	1.1
60.08171	7.2
66.70889	0.2
68.05035	1.0
70.06596	38.5
70.21231	1.0
72.08170	0.5
78.30094	0.3
85.02924	0.3
96.08133	1.6
98.06069	0.6
100.07635	0.3
114.05548	4.0
114.09187	2.8
114.38039	0.3
116.07110	0.8
119.01932	0.8
124.07591	3.8
126.09161	1.1
142.08641	34.1
143.08995	0.4
161.02939	0.3
170.08157	1.6
187.00929	0.3
229.15483	100.0
230.15723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03946	1.4
55.01866	1.6
55.05515	2.0
67.05508	6.7
69.03431	1.6
69.07050	0.8
70.37727	1.2
70.38052	2.0
71.04980	0.9
73.02914	1.1
77.01389	1.0
79.05502	4.8
81.07053	2.4
85.06523	0.9
91.05484	8.7
93.07047	4.6
95.04961	2.9
95.08624	1.2
98.97543	0.9
103.05470	1.9
105.07041	11.4
107.04944	1.8
107.08589	3.8
109.06497	1.1
109.10185	1.1
115.05440	3.3
117.07027	7.4
119.04886	1.3
119.08590	14.6
121.06493	4.2
123.04430	2.4
125.46194	0.9
128.06227	7.2
129.07025	14.0
130.07791	1.3
131.08585	11.2
133.06490	6.9
133.10141	2.5
138.36813	0.9
141.07011	9.1
142.07800	17.1
143.08580	16.2
144.09352	5.4
145.06502	4.0
145.10098	6.2
147.08095	1.0
147.11678	3.8
149.05991	1.8
152.06215	1.6
153.07002	16.8
154.07745	2.7
155.08578	27.6
156.09375	2.2
157.06546	1.6
157.10138	65.8
158.07256	1.1
158.10886	1.3
159.08073	3.5
159.11684	3.1
161.05998	3.3
165.07031	1.9
166.07799	2.6
167.08569	9.0
168.09363	47.2
169.06488	1.5
169.10161	6.1
170.10915	1.1
171.08044	2.1
172.08817	1.8
173.06010	4.8
173.09619	3.9
173.13295	4.5
175.11122	1.3
178.07738	2.9
181.06488	2.8
181.10146	9.3
183.11711	100.0
184.12195	1.1
185.09630	2.4
185.13333	5.0
187.07523	2.6
187.11131	7.4
193.10152	15.2
196.08836	7.6
201.09103	3.9
201.12738	9.9
211.11195	41.2
214.09946	1.4
229.04929	5.2
229.12253	67.2
230.12627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.01876	2.9
55.05507	3.0
62.34898	1.1
67.05508	11.3
70.96030	2.7
70.96362	1.4
79.05500	7.9
81.07070	7.1
83.85436	1.3
90.70129	1.3
91.05486	16.5
93.07042	6.5
95.04989	2.0
103.05449	3.3
105.07047	18.0
107.08607	4.3
115.05466	5.9
117.07028	8.4
118.28800	1.2
119.08595	19.8
121.06474	1.4
123.04436	3.0
123.08146	1.6
128.06235	10.6
129.07025	20.0
130.07793	2.3
131.08580	18.3
133.06529	6.9
133.10153	2.3
135.04402	1.6
141.06996	16.3
142.07805	17.3
143.08574	21.5
144.09337	6.3
145.06502	6.0
145.10141	8.9
147.08023	1.7
147.11693	3.8
149.06021	3.1
153.07018	17.0
154.07790	2.3
155.08583	45.6
156.09366	3.4
157.10147	51.0
158.10905	2.4
159.04445	1.8
159.08092	5.3
159.11693	3.0
161.06047	1.7
165.07024	1.9
166.07773	1.8
167.08603	6.8
168.09366	45.4
169.10190	7.8
170.11035	2.3
171.08034	3.0
172.08849	1.8
173.06009	4.6
173.09593	4.4
173.13283	8.2
178.07765	5.6
181.06503	3.0
181.10150	7.9
183.11719	100.0
185.13222	6.9
187.07541	5.8
187.11209	5.0
193.10153	11.8
196.08873	6.1
201.09131	8.4
201.12753	21.7
211.11203	41.1
229.12262	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03941	1.8
55.01864	3.1
55.05504	3.9
57.03418	1.6
57.49767	1.1
65.03953	1.2
67.05523	5.5
69.03424	4.2
69.07053	3.1
71.04990	1.4
71.45525	1.0
73.02900	3.6
75.03341	1.5
79.05120	1.0
79.05503	10.0
81.03395	3.2
81.07069	8.7
83.04980	2.3
85.06516	1.8
86.47173	1.1
89.73822	1.0
91.05485	16.7
93.07055	12.3
95.04980	6.1
95.08611	6.1
97.06521	1.1
99.08114	5.9
103.05438	3.4
105.07041	20.0
107.04945	2.8
107.08617	8.4
109.02866	1.5
109.06506	2.4
109.10120	2.2
115.05454	5.8
116.06262	1.5
117.07021	10.2
119.04926	1.4
119.08585	14.6
121.06510	6.9
121.10096	2.6
123.04447	2.0
123.08057	1.7
123.11720	2.7
127.05440	1.2
128.06236	13.0
129.07011	16.7
130.07736	2.0
131.04932	1.4
131.08578	17.2
133.06462	3.4
133.10132	7.2
135.04346	1.9
135.08037	2.9
135.11665	4.0
140.04680	3.2
141.06999	18.6
142.05124	3.6
142.06761	1.7
142.07793	19.3
143.08585	22.1
144.09396	5.0
145.06491	8.2
145.10132	9.8
147.08063	3.3
147.11676	2.1
149.05963	1.7
151.03822	1.5
152.06256	1.8
153.07002	16.8
154.07802	5.4
155.04918	1.4
155.07196	2.5
155.08562	37.2
156.07396	1.7
156.09299	2.5
157.07512	4.6
157.10141	35.5
158.10881	1.4
159.08070	12.1
159.09250	2.0
159.11652	5.3
161.05963	1.7
163.14850	8.0
165.07031	2.1
165.09198	1.5
166.07732	1.3
167.07173	2.1
167.08498	8.5
168.09358	42.5
169.06444	1.3
169.10135	5.7
170.10846	1.6
171.08087	5.2
171.11635	1.2
172.08842	2.7
173.05994	8.0
173.09639	7.8
173.13243	7.4
175.07401	1.2
175.11143	4.1
175.14835	4.5
178.07741	3.6
181.05104	2.0
181.06461	3.7
181.10095	4.6
181.15938	1.6
182.05267	2.0
183.05507	11.8
183.09111	2.9
183.11710	100.0
184.12042	1.2
185.09595	3.7
185.13228	5.1
186.10382	3.0
187.07497	6.7
187.11232	10.5
193.10136	8.2
193.15796	2.5
196.08858	6.2
199.07329	1.3
201.06792	2.5
201.09067	6.4
201.12752	24.5
211.09325	1.3
211.11201	30.4
211.16936	2.9
229.04953	2.6
229.07042	3.3
229.10092	2.9
229.12222	87.6
230.12427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03951	2.2
54.05336	1.5
55.05512	2.1
58.07554	1.6
67.05489	6.4
71.45509	2.3
79.05508	8.8
81.07047	5.4
91.05480	14.7
93.07037	7.8
95.04977	3.0
103.05466	3.8
105.07044	16.8
107.04949	2.6
107.08604	5.6
109.02876	3.7
115.05455	6.8
116.85119	1.5
117.07032	9.6
119.04944	1.5
119.08585	31.1
121.06477	3.5
123.04455	2.7
123.86843	1.7
128.06210	9.3
129.07025	18.5
130.07643	2.2
131.04958	1.6
131.08583	19.2
133.06497	10.0
133.10143	1.8
141.06996	14.5
142.07782	18.2
143.08572	21.4
144.09328	7.1
145.06493	4.9
145.10112	12.7
147.11693	3.4
149.05977	2.7
153.07008	19.3
154.07733	4.2
155.08562	44.0
156.09314	4.4
157.10139	65.3
158.10921	2.0
159.08090	5.3
159.11703	5.2
161.05994	2.3
165.07021	3.0
166.07797	4.2
167.08559	9.4
168.09363	56.2
169.10135	7.2
171.08006	3.8
173.05991	5.7
173.09607	3.0
173.13228	9.3
175.11206	1.9
178.07735	3.6
181.06535	2.6
181.10144	9.6
183.08240	3.0
183.11710	100.0
185.09735	2.9
185.13243	7.9
187.07590	4.8
187.11122	2.8
193.10132	17.0
195.07904	2.3
196.08794	9.7
201.09109	12.1
201.12753	23.3
211.11206	46.6
211.13214	2.5
218.61850	1.6
229.12250	91.1
241.80756	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
51.89540	0.9
53.03946	2.3
55.01863	1.7
55.05505	2.3
65.37052	1.0
67.05510	6.8
69.07069	1.5
71.10989	1.7
75.36316	1.2
79.05487	5.6
81.03416	1.5
81.07057	4.4
91.04968	1.5
91.05482	16.8
93.07065	6.2
95.04952	4.4
103.05482	2.9
105.03381	1.4
105.07034	20.5
107.05017	1.7
107.08576	6.7
109.02863	1.2
109.06516	1.1
115.05445	4.8
116.06192	1.6
117.07043	6.9
119.08589	34.4
121.06492	1.8
123.04429	3.7
128.06233	8.8
129.07001	19.0
129.23972	1.1
130.07791	2.3
131.05006	1.2
131.08578	21.0
131.38539	1.3
133.06500	12.0
133.10121	1.4
141.06993	13.0
142.07796	22.3
143.08578	20.5
144.05791	1.2
144.09358	6.0
145.06499	4.7
145.10150	11.2
147.08057	1.5
147.11678	6.7
149.05960	1.5
152.06157	1.8
153.07007	18.7
154.07787	3.9
155.08575	40.3
155.09871	1.9
156.09355	3.3
157.10143	52.6
158.07274	1.5
158.10918	2.3
159.08087	6.2
159.11653	5.6
165.07056	1.6
166.07780	2.1
167.08540	8.0
168.09352	46.9
169.10139	6.7
170.11044	2.2
171.08073	2.4
173.05968	4.7
173.09608	5.9
173.13283	10.1
175.11116	1.3
178.07813	3.3
181.06512	2.4
181.10114	10.1
183.11703	89.1
185.09694	3.1
185.13286	5.1
186.10410	1.4
187.07530	5.6
187.11189	5.0
193.10147	15.6
195.08075	1.4
196.08853	8.5
200.08307	1.3
201.09138	6.6
201.12753	25.6
211.11186	42.9
214.09967	2.0
229.12247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03956	1.6
53.56386	0.6
55.01870	1.8
55.05511	2.0
65.03944	1.0
65.46568	0.7
67.05508	10.0
69.03412	0.7
70.68500	0.6
71.32316	0.9
71.32668	0.7
72.18530	0.6
73.02907	1.5
77.03904	0.7
79.05493	6.2
81.03429	1.0
81.07063	3.5
83.04979	0.8
87.82964	0.6
91.05481	13.9
91.06012	1.2
93.07047	7.1
94.37554	0.6
95.04999	2.4
103.05501	1.6
104.44367	0.6
105.07031	12.0
106.36733	0.6
106.58965	0.6
107.04955	1.3
107.08618	4.9
109.02900	1.5
109.06553	0.8
111.04448	0.7
111.94454	0.6
115.05451	4.7
115.06203	0.8
116.06242	1.2
117.07017	8.6
119.04923	0.7
119.08595	18.4
121.06491	1.3
123.04401	1.1
128.06218	10.7
129.07021	15.3
130.07803	1.8
131.04964	1.5
131.08575	14.2
131.09521	0.9
133.06491	5.2
133.10146	1.4
135.04388	0.9
137.06023	0.8
141.06987	14.4
142.07785	20.4
143.08568	21.8
144.09352	6.8
145.06503	5.1
145.10156	5.9
147.08069	1.0
147.11714	2.3
149.05980	1.9
152.06204	1.7
153.06998	16.0
154.07806	3.3
155.08563	38.2
156.09338	3.0
157.10136	64.2
158.10889	1.9
159.04434	1.7
159.08046	5.3
159.11707	3.5
161.05978	1.3
165.07007	2.6
166.07806	3.7
167.08571	10.2
168.09352	54.5
169.06404	0.8
169.10121	6.4
170.10870	1.7
171.08034	5.9
171.11748	1.0
172.08839	1.8
173.05974	4.7
173.09615	4.0
173.13280	5.6
175.11099	0.9
178.07796	4.4
181.06502	4.2
181.10121	10.1
182.10872	0.9
183.11705	100.0
184.12152	1.2
185.09763	1.5
185.13292	5.4
187.07527	3.6
187.11130	5.2
193.10141	16.2
195.08147	1.0
196.08881	7.9
200.08372	1.6
201.09177	3.7
201.12752	15.6
201.14497	1.3
211.11183	45.5
214.09862	1.0
229.12247	74.2
230.12497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03943	1.7
55.01862	2.4
55.05500	3.3
67.02753	1.1
68.64521	1.1
69.03445	2.7
70.38540	4.1
79.05489	3.3
81.07059	2.0
91.05486	7.5
93.07052	5.7
95.04961	1.4
99.58372	1.1
102.53895	1.1
105.07034	6.6
107.08563	2.1
109.06516	1.8
115.05501	2.9
117.07011	3.4
118.59528	1.1
119.08537	2.7
120.18067	0.9
121.06512	12.2
126.10520	1.3
128.06218	6.8
129.07043	7.3
131.08577	10.7
131.73099	1.2
135.04416	1.3
135.08055	13.1
141.07024	8.6
142.07797	8.4
143.08568	14.2
144.05737	1.8
144.09315	2.0
145.06505	11.0
145.10143	5.4
146.07320	1.8
147.08047	2.7
149.06123	1.7
153.07016	7.6
154.07785	2.0
155.08565	16.8
157.06535	2.0
157.10155	9.6
158.07275	4.1
159.08078	20.9
159.11617	1.5
161.06007	1.9
161.09651	3.4
165.07001	2.9
167.08562	5.1
168.09349	18.6
169.06422	1.3
169.10095	1.9
171.08069	12.9
172.08870	4.6
173.05988	30.4
173.09604	13.7
173.13246	4.3
174.06764	2.5
175.07549	4.2
175.11192	8.6
178.07753	5.3
181.06494	14.2
181.10130	2.4
182.07324	1.6
183.11708	44.4
185.09625	7.6
185.13269	3.2
186.10406	2.1
187.07562	16.1
187.11235	2.9
193.10117	13.3
195.08072	2.8
196.08850	24.6
201.09088	3.2
201.12738	18.4
211.11191	80.3
229.12251	100.0
230.12589	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
52.92587	1.5
53.03943	3.7
55.05523	2.3
55.96317	1.5
65.69287	1.7
67.05499	6.0
70.72011	4.9
79.05506	12.2
81.03403	1.9
81.07061	9.6
91.05486	25.0
93.07040	12.3
95.04980	2.9
98.36120	1.8
103.05463	4.7
105.07037	19.5
106.58401	1.6
107.04952	2.7
107.08595	5.8
109.02889	2.2
115.05448	4.7
117.07018	11.5
119.04943	1.7
119.08588	35.7
121.06532	4.6
123.04486	2.8
128.06233	14.3
129.07014	19.7
130.07780	1.9
131.04916	3.0
131.08574	20.0
133.06514	5.2
133.10141	5.2
135.04439	1.7
141.06999	15.0
142.07803	22.3
143.08566	21.6
144.09315	7.2
145.06491	4.8
145.10121	12.8
147.11679	1.9
149.06017	3.7
152.06197	1.7
153.07010	21.2
154.07758	4.6
155.08563	55.3
156.09291	2.0
157.06532	2.1
157.10130	64.4
158.10892	2.5
159.04451	3.4
159.08110	8.0
159.11661	4.4
161.06007	3.2
164.09801	1.9
165.06985	2.1
166.07817	3.3
167.08580	12.4
168.09364	54.4
169.06471	2.3
169.10104	9.1
170.10921	2.7
171.08026	4.2
172.08913	2.2
173.05991	6.4
173.09654	6.5
173.13266	9.7
178.07811	5.6
181.06474	4.5
181.10110	9.4
183.11707	100.0
184.12340	2.6
185.13289	4.7
186.10318	2.5
187.07573	6.2
187.11185	4.7
193.10168	15.1
196.08855	8.7
201.09143	7.1
201.12743	21.2
211.11198	43.9
218.98703	2.0
229.12248	85.8
246.60295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1226
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03939	3.1
55.05500	3.9
59.06984	1.7
63.80974	1.7
64.38843	1.8
67.05489	7.0
69.03429	4.5
70.71039	4.3
79.05508	8.6
81.07061	12.6
91.05497	22.9
93.07043	21.8
95.04977	4.6
103.05492	2.2
105.07050	21.5
107.04927	2.5
107.08646	2.4
109.02883	2.1
109.06535	52.9
115.05454	4.2
116.06261	2.8
117.07026	9.1
119.04966	2.0
119.08596	23.6
121.06518	50.6
123.08044	2.6
128.06218	7.4
129.07019	15.4
130.07762	2.4
131.08574	26.1
133.06456	4.7
135.04417	2.3
135.08063	12.9
141.06976	12.4
142.07790	21.0
143.08582	17.4
144.09367	2.9
145.06485	12.4
145.10158	20.1
147.08054	17.2
153.07001	16.8
154.07767	3.0
155.08566	33.1
156.09315	2.9
157.10139	39.6
158.07234	2.9
158.10957	2.0
159.08078	25.1
159.11728	4.5
161.06033	4.4
165.07002	3.0
167.08595	9.8
168.09364	44.8
169.10144	6.0
171.08054	9.2
172.08904	5.9
173.06007	28.7
173.09592	11.4
173.13261	11.3
175.07556	2.9
175.11165	2.9
178.07727	8.7
181.06537	9.1
181.10182	6.6
183.11717	90.8
185.09657	4.9
185.13246	3.5
186.10454	3.2
187.07605	12.6
187.11093	5.6
193.10149	20.6
195.08072	2.6
196.08847	16.8
197.73415	2.1
201.09186	9.1
201.12758	37.0
211.11197	54.9
228.93623	1.9
229.12267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03939	1.5
55.01876	1.6
55.05512	2.3
67.05504	7.3
69.03423	2.2
69.07056	1.3
70.39100	3.0
71.70976	1.0
73.02926	1.7
76.15591	1.1
79.05502	5.8
81.07072	5.0
83.04977	1.1
90.30952	1.0
91.05486	15.0
93.07059	8.3
95.04974	2.1
103.05446	3.8
105.07036	16.4
107.04959	3.3
107.08581	3.2
109.02913	1.3
109.06526	1.3
115.05417	5.8
116.06246	1.3
117.07015	10.4
119.04960	1.1
119.07810	1.3
119.08599	18.2
121.06490	2.8
127.39378	1.0
128.06212	13.0
129.07011	21.4
130.07777	1.3
131.08589	16.2
133.06511	3.8
133.10149	2.1
135.04414	1.4
135.08023	1.5
141.07008	18.0
142.07780	21.3
143.08566	27.1
144.09367	5.6
145.06514	5.7
145.10129	11.1
147.08011	2.0
147.11696	2.7
149.05983	2.1
152.06303	1.5
153.06999	18.3
154.07784	5.1
155.08565	44.5
156.09349	3.6
157.06558	1.7
157.10144	57.8
158.07275	1.7
158.10562	1.4
159.08075	8.0
159.11725	3.9
161.06056	1.5
165.07016	2.6
166.07770	2.4
167.08589	7.5
168.09364	46.6
169.06468	1.8
169.10127	7.4
170.10893	1.9
171.08072	4.7
171.11708	1.3
172.08806	2.0
173.06001	3.9
173.09645	7.7
173.13306	6.4
175.07541	1.3
175.11107	1.6
178.07809	3.4
181.06471	4.0
181.10110	8.9
183.08267	2.2
183.11710	100.0
184.12085	1.9
185.09625	4.4
185.13234	4.3
186.10463	3.1
187.07579	6.0
187.11192	6.5
193.10170	17.0
195.08076	1.6
196.08862	7.0
199.70601	1.1
201.09081	5.3
201.12755	20.5
211.11195	41.1
214.10088	1.4
229.04970	1.4
229.08594	3.5
229.12256	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03936	2.7
55.01864	4.2
55.05499	4.3
55.42865	1.1
60.83869	1.1
65.03932	1.4
65.36635	1.2
67.05511	8.7
68.08218	1.2
69.03424	2.4
69.35837	9.8
69.36240	2.3
79.05491	11.4
81.07072	8.1
83.04968	1.1
91.05479	19.3
93.07030	11.7
95.04942	3.6
95.08604	3.7
103.05455	2.7
105.03363	1.6
105.06397	1.6
105.07039	21.2
107.04938	2.6
107.08601	7.7
109.02864	2.5
109.06502	1.7
115.05466	6.7
117.07029	12.6
119.04963	1.3
119.08578	21.4
121.06512	4.8
123.04430	2.5
128.06216	15.7
129.06155	2.1
129.07016	23.7
130.07788	2.1
131.04973	1.6
131.08582	25.4
133.06487	3.5
133.10107	3.4
135.08145	1.4
137.05978	2.0
141.06993	24.0
142.07785	19.8
143.08566	29.3
144.09369	6.2
145.06473	6.2
145.10109	12.3
147.08052	1.7
147.11696	2.9
149.05997	3.2
152.06180	1.5
153.07001	16.7
154.07808	5.7
155.07249	2.3
155.08551	47.7
156.09323	3.4
157.06502	2.2
157.10132	44.4
158.07263	1.6
158.10942	1.6
159.04393	2.1
159.08084	12.1
159.11719	9.8
161.05988	2.3
165.07051	3.2
166.07784	2.1
167.08588	11.2
168.09360	43.0
169.06429	2.7
169.10098	9.2
170.10983	1.5
171.08083	5.2
172.08806	4.2
173.05966	4.0
173.09653	8.0
173.13277	12.4
175.07538	1.2
175.11131	2.8
178.07756	4.1
181.06427	2.3
181.10086	5.9
183.08081	4.1
183.11702	99.8
185.09669	3.2
185.13242	5.7
186.10483	2.3
187.07556	6.6
187.11215	13.8
193.10107	9.9
195.08112	1.5
196.08856	5.5
199.11150	2.0
201.09105	6.1
201.12747	27.0
211.11180	29.4
214.09752	1.7
229.04893	1.9
229.12242	100.0
231.12080	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03944	2.2
55.01873	1.7
55.05502	3.5
65.03908	1.3
67.05505	5.2
69.03413	3.5
69.07050	2.2
69.35973	0.9
70.38690	1.7
70.39046	2.5
70.48879	1.2
70.49254	1.0
79.05480	5.9
81.07044	4.9
83.04978	2.4
91.05480	13.9
93.07053	7.1
95.04968	3.2
105.07036	13.6
107.04955	2.3
107.08598	4.5
109.06506	3.2
111.88045	0.9
114.74051	1.1
115.05449	3.3
117.07047	7.0
119.08603	7.8
121.06499	4.3
125.09603	3.4
128.06238	9.7
129.07011	13.9
130.07767	1.1
131.08583	16.4
131.58499	1.0
133.06561	1.8
133.10139	2.3
135.04393	1.7
135.08005	1.7
141.06981	15.1
142.07773	14.7
143.08565	23.8
144.09361	3.5
145.06487	7.7
145.10132	9.8
147.08038	1.8
147.11624	2.0
149.05957	2.4
152.06172	1.9
153.07016	13.7
154.07799	3.5
155.08568	33.4
157.06540	1.4
157.10143	29.3
158.10890	2.1
159.08075	8.8
159.11699	7.1
161.09616	1.5
166.07820	2.1
167.08527	5.6
168.09361	35.5
169.10074	4.8
171.08099	5.6
171.11746	1.5
172.08844	3.2
173.05986	5.3
173.09673	6.7
173.13292	6.7
175.11182	3.8
178.07823	2.9
181.06508	3.1
181.10112	4.3
183.11708	100.0
184.12183	2.1
185.09706	2.2
185.13272	5.5
186.10426	3.6
187.07567	5.7
187.11227	9.5
193.10153	7.8
196.08850	4.9
201.09189	3.1
201.12735	23.2
211.11212	24.4
229.12257	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1226
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
55.01866	2.5
55.05497	5.0
57.55652	1.5
67.05519	3.7
69.03412	2.9
69.07058	2.4
70.79401	4.4
79.05471	6.0
81.07039	4.3
91.05486	13.5
93.07038	7.7
95.04974	2.4
105.07033	13.8
107.04963	1.8
107.08604	5.1
109.06512	2.4
115.05441	5.8
117.07069	7.8
119.08591	9.8
121.06512	11.8
121.33075	1.7
128.06230	11.4
129.07008	16.5
130.07773	1.7
131.08586	15.5
133.06491	3.8
135.08047	11.9
141.06985	13.6
142.07791	15.4
143.08575	23.3
144.09323	4.1
145.06508	12.2
145.10129	9.6
147.08118	3.4
149.05960	3.3
153.07048	15.0
154.07845	2.1
155.08563	31.6
156.09312	2.6
157.06505	2.2
157.10153	33.7
158.07266	5.3
159.08057	21.1
159.11656	3.4
161.09630	2.8
165.07097	2.6
165.51910	1.7
166.07729	2.1
167.08568	10.4
168.09355	36.8
169.10098	5.4
171.08052	13.2
172.08835	3.1
173.06010	30.8
173.09624	12.5
173.13255	5.9
174.06778	2.2
175.07535	4.7
175.11208	7.3
178.07799	8.0
179.08554	2.2
181.06538	11.5
181.10121	7.2
183.11703	81.2
185.09604	5.9
185.13245	4.6
186.10324	2.5
187.07588	12.3
187.11172	6.5
193.10136	19.7
196.08853	25.5
201.09079	8.9
201.12724	17.3
207.35934	1.7
211.11188	78.8
214.09982	2.8
229.12241	100.0
229.15880	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	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
52.62733	0.9
53.03934	1.3
53.83788	0.9
55.01852	1.3
56.07323	0.8
67.05504	1.8
71.00044	1.5
73.02930	2.6
74.24606	0.8
79.05487	4.0
81.03431	1.9
81.07059	2.3
91.05479	5.8
93.07041	3.5
93.43510	1.1
105.07050	4.2
107.04958	2.3
109.02892	2.1
113.50036	0.9
113.50832	0.9
115.05459	2.1
117.07010	3.5
119.08596	9.3
121.06522	0.9
126.72488	1.1
128.06221	3.8
129.07001	8.7
131.08566	3.5
141.06964	7.8
142.07791	18.1
143.08575	10.4
144.09349	4.2
145.06410	1.9
145.10139	2.8
152.06218	1.3
153.06998	15.6
153.25972	1.1
155.07375	2.0
155.08582	22.7
156.09338	1.6
157.10143	82.7
158.10652	1.0
159.08080	2.2
159.11716	1.4
165.06993	2.4
166.07794	3.0
167.08589	9.6
168.09361	52.5
169.10077	4.0
171.08098	1.1
173.06003	2.1
173.09668	3.3
173.13284	2.2
178.07820	2.7
181.06467	2.7
181.10149	11.6
183.11710	100.0
184.12057	1.1
185.13252	2.6
187.07497	1.0
193.10153	16.2
196.08841	6.8
201.09129	13.1
201.12735	4.7
211.11203	42.2
229.12262	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1226
Annotation	Dehydrolindestrenolide
Peak:m/z	Relative Intensity
53.03951	6.2
55.05508	7.6
59.04999	1.5
63.73544	1.1
65.03929	1.3
67.05510	6.9
69.03069	1.9
69.03429	20.5
69.07072	3.2
70.05860	3.9
71.04979	1.7
79.05499	5.9
81.03439	1.4
81.07055	5.0
83.04980	8.1
83.08615	5.0
85.06537	3.7
91.05487	10.3
91.28648	1.1
93.03371	1.6
93.07052	11.4
95.04974	1.5
95.08607	2.4
99.08149	2.0
103.05470	1.2
103.80864	1.1
105.07040	8.5
106.75361	1.2
107.04919	1.1
107.08591	4.2
109.02886	15.7
109.06508	1.7
109.10169	9.1
111.08092	2.1
115.05456	2.6
117.07043	6.3
119.04988	1.4
119.08599	12.6
121.06519	7.3
121.10136	2.7
123.08053	1.4
123.11705	4.4
127.11182	4.4
128.06223	5.4
129.07011	9.4
130.07800	1.8
131.08577	15.7
133.10149	9.5
135.08139	1.4
135.11700	3.6
141.06990	5.0
142.07814	6.0
143.08568	17.6
144.09351	4.8
145.06470	4.1
145.10135	11.4
153.07008	6.8
155.08578	15.7
156.09328	1.8
157.10161	15.7
158.07272	2.3
158.10915	13.3
159.08078	10.0
159.11708	11.9
167.08582	3.1
167.14371	3.2
168.09383	13.3
169.10144	2.9
169.12262	4.2
170.10909	6.6
171.08052	7.5
172.08871	7.3
173.06105	1.8
173.09639	37.4
173.13272	35.3
178.07840	1.8
181.06555	2.6
181.10170	2.1
183.11725	29.3
185.09639	1.9
185.13293	4.5
186.10414	23.0
187.07584	2.6
187.11195	60.0
193.10185	6.7
193.15941	2.6
196.08891	9.5
199.07555	1.6
201.09052	1.8
201.12764	52.6
211.11191	17.3
211.16931	8.5
214.09875	4.7
229.12256	100.0
229.15910	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01878	0.9
55.05513	0.7
67.05500	1.5
69.03415	1.0
70.03348	1.5
70.03738	1.2
70.06583	1.2
71.04971	0.6
72.93776	1.3
78.04708	2.5
79.05489	2.4
81.03410	1.2
81.07068	1.5
83.05007	0.8
84.08145	0.5
90.94833	1.0
91.05486	4.3
91.70318	0.5
93.07060	3.0
95.04990	2.8
95.08620	0.6
97.02897	0.6
98.21410	0.6
103.05460	2.0
103.84072	0.5
105.07059	3.0
106.04180	2.2
107.04962	2.1
107.08604	1.2
108.43605	0.5
109.02873	1.1
109.06515	0.7
115.05431	0.8
117.07025	1.7
119.08591	2.1
121.06509	3.4
123.04443	7.6
124.05229	3.0
125.06015	1.1
128.06247	1.8
129.07028	2.8
131.08591	2.5
132.95865	0.6
133.06509	1.0
135.08002	0.5
137.05994	1.5
139.07535	0.8
140.07977	0.7
141.07016	2.7
142.07803	2.3
143.08578	3.0
144.09334	0.7
144.95885	0.8
145.06483	1.3
145.10146	1.9
149.05991	3.0
151.03891	2.0
151.07576	1.4
152.04730	2.3
153.07028	1.4
155.08572	4.9
157.10175	6.1
158.97429	1.4
159.08066	1.1
159.11681	0.8
161.05980	1.3
166.06253	0.8
167.07063	100.0
168.07390	2.3
168.09351	6.3
169.10130	1.6
171.08150	0.7
173.06027	1.5
173.09653	1.4
173.13345	0.8
176.98555	0.7
178.07806	1.0
179.06897	0.6
181.06537	0.8
181.08614	6.0
181.10069	1.1
182.09332	0.8
183.11728	12.6
183.13246	1.1
185.09644	0.6
185.13290	0.8
187.07578	1.4
187.11238	2.3
192.07863	2.5
193.08603	2.4
193.10240	1.8
196.08844	1.4
201.05447	0.7
201.09070	3.0
201.12747	2.6
211.07690	0.5
211.11258	5.5
223.09657	0.9
229.04985	1.8
229.08591	1.1
229.12234	15.6
229.15697	0.8
234.99069	2.4
241.10751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05511	29.0
57.03433	9.2
57.07065	19.2
61.02926	21.1
66.04375	5.6
67.05498	30.0
69.03430	39.6
69.07061	22.0
70.85699	15.5
71.04982	11.2
71.16856	5.6
73.02917	10.3
77.27790	5.3
79.05492	19.4
81.03409	21.4
81.07066	31.6
83.04987	11.5
83.08633	11.2
85.06548	44.3
86.64933	6.7
91.05502	28.2
93.07049	45.2
95.04959	41.9
95.08633	35.6
97.06535	19.4
100.11252	31.9
103.05492	6.8
105.07020	38.2
107.08615	75.0
109.06531	22.6
109.10168	22.9
111.04431	11.3
111.08057	8.1
113.09633	7.0
115.03932	23.1
116.39919	6.4
119.08578	39.3
121.06522	10.7
121.10135	45.2
123.08049	15.2
123.11671	7.9
125.05978	7.1
125.09660	13.0
129.05467	10.2
131.08572	20.4
133.10135	78.6
135.08031	9.1
135.11740	15.0
137.09607	9.5
140.04672	12.6
143.08615	8.3
145.10187	10.3
147.11687	24.8
149.05923	7.3
149.09627	6.6
149.13290	40.6
151.11234	12.3
153.09129	14.9
155.07016	11.2
161.13274	14.8
163.14787	22.6
165.12712	6.9
167.07019	21.8
173.13283	53.6
179.14317	12.1
181.04984	27.2
181.10229	8.3
183.09171	16.0
191.14302	67.0
197.15300	6.5
209.08157	8.3
209.15329	100.0
222.90836	6.0
227.09109	6.1
227.16245	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32444	2.9
53.03942	6.1
55.01869	6.3
55.05519	33.6
57.03422	10.2
57.07060	11.0
67.05507	25.8
69.03426	11.1
69.06721	3.4
69.07071	38.6
70.24896	6.9
71.01346	4.3
71.04995	22.4
73.02905	10.3
75.85186	2.8
79.05493	18.6
81.07058	54.1
83.01344	3.7
83.04993	21.4
83.08606	13.2
85.02866	2.6
85.06529	8.8
91.05474	28.8
93.07054	52.7
95.04974	15.4
95.08610	69.6
97.06521	13.3
97.10143	7.8
98.20773	3.0
99.04448	6.3
99.08091	9.9
100.11248	5.6
105.07017	32.2
107.04941	5.6
107.08601	67.0
109.06519	11.6
109.10168	50.8
111.08074	15.4
115.07607	3.4
117.07028	4.0
119.08564	17.3
121.06542	15.9
121.10149	76.7
121.71837	2.8
123.04409	5.5
123.08105	20.2
123.11731	18.5
125.05972	6.3
125.09622	16.5
127.07573	7.9
127.11192	40.8
128.06215	5.3
129.07004	3.9
131.08565	10.4
133.10133	49.7
135.08102	22.7
135.11702	21.8
137.05969	6.8
137.09641	21.9
137.13271	27.8
139.07529	7.3
139.11201	8.5
140.04712	15.1
141.06996	8.0
143.08546	15.0
145.10106	12.9
147.11707	14.8
149.06013	7.4
149.09631	96.5
149.13278	46.4
151.11203	25.9
152.06221	9.6
153.09131	11.9
155.07016	14.9
155.08499	4.3
156.09344	13.2
157.10075	6.1
158.10896	6.5
161.13290	10.3
163.11137	5.1
163.14835	34.6
163.44617	2.7
165.07002	12.6
165.12810	20.9
166.07771	20.1
167.07060	50.7
167.08583	41.0
167.10707	8.5
167.14302	5.7
169.06516	7.4
171.08026	4.8
171.11734	10.6
173.13269	44.2
177.05495	17.2
177.06917	3.8
179.14273	6.9
181.04999	27.1
181.08685	6.8
181.10188	10.1
183.08125	3.2
184.08850	12.4
185.09662	5.9
191.14308	56.9
194.07283	5.1
195.07988	27.8
196.08885	3.2
197.05911	19.1
199.11206	18.2
209.08063	7.4
209.09760	7.0
209.15353	52.3
212.08331	15.0
227.07056	8.0
227.10699	100.0
227.16383	36.4
228.10995	4.0
238.43893	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.67411	1.2
51.85563	1.2
55.01866	1.8
55.05517	7.9
57.03434	4.9
57.07074	4.1
59.04989	4.5
60.38101	1.1
64.25684	1.2
67.05506	6.9
69.03426	2.4
69.07073	10.3
70.38428	1.1
70.65569	3.7
70.65923	1.6
71.04996	26.5
71.96561	1.2
73.06543	2.1
75.04475	1.2
79.05489	6.5
81.07066	12.3
82.35494	1.2
83.04972	3.5
83.08640	3.1
85.06536	9.3
86.50378	1.3
91.05499	9.0
93.07050	18.6
95.04977	100.0
95.08609	15.1
97.06535	21.1
97.10165	4.2
99.04462	23.1
99.08103	36.7
100.11256	2.9
105.07029	9.8
105.24663	1.4
107.04941	1.6
107.08607	25.1
109.06534	12.6
109.10172	11.8
111.08108	6.3
113.09658	1.7
115.07562	7.1
119.08591	8.3
121.06500	1.8
121.10158	18.4
123.08105	2.6
123.11720	7.1
125.09636	8.5
127.07577	16.8
131.08565	4.7
133.10146	37.0
135.08047	6.5
135.11713	5.1
137.09639	2.7
139.11194	16.0
141.06975	1.6
143.08621	2.3
143.10686	6.0
145.10152	3.8
147.11653	6.8
149.09578	2.3
149.13246	8.8
151.10146	1.5
151.11211	7.7
153.07124	1.6
153.09116	27.7
155.07069	1.5
156.09373	2.2
157.06458	1.4
158.10986	1.8
161.05972	2.0
163.14816	5.7
165.06911	1.4
165.12761	1.3
166.07774	2.3
167.07036	5.2
171.10188	9.0
173.13292	14.2
174.83627	1.4
177.05524	2.1
181.05022	2.8
181.10141	3.0
191.14354	10.5
199.11218	2.5
209.08078	2.0
209.09793	2.0
209.15416	12.4
217.92899	1.3
227.10664	8.4
227.16435	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.32444	2.9
53.03942	6.1
55.01869	6.3
55.05519	33.6
57.03422	10.2
57.07060	11.0
67.05507	25.8
69.03426	11.1
69.06721	3.4
69.07071	38.6
70.24896	6.9
71.01346	4.3
71.04995	22.4
73.02905	10.3
75.85186	2.8
79.05493	18.6
81.07058	54.1
83.01344	3.7
83.04993	21.4
83.08606	13.2
85.02866	2.6
85.06529	8.8
91.05474	28.8
93.07054	52.7
95.04974	15.4
95.08610	69.6
97.06521	13.3
97.10143	7.8
98.20773	3.0
99.04448	6.3
99.08091	9.9
100.11248	5.6
105.07017	32.2
107.04941	5.6
107.08601	67.0
109.06519	11.6
109.10168	50.8
111.08074	15.4
115.07607	3.4
117.07028	4.0
119.08564	17.3
121.06542	15.9
121.10149	76.7
121.71837	2.8
123.04409	5.5
123.08105	20.2
123.11731	18.5
125.05972	6.3
125.09622	16.5
127.07573	7.9
127.11192	40.8
128.06215	5.3
129.07004	3.9
131.08565	10.4
133.10133	49.7
135.08102	22.7
135.11702	21.8
137.05969	6.8
137.09641	21.9
137.13271	27.8
139.07529	7.3
139.11201	8.5
140.04712	15.1
141.06996	8.0
143.08546	15.0
145.10106	12.9
147.11707	14.8
149.06013	7.4
149.09631	96.5
149.13278	46.4
151.11203	25.9
152.06221	9.6
153.09131	11.9
155.07016	14.9
155.08499	4.3
156.09344	13.2
157.10075	6.1
158.10896	6.5
161.13290	10.3
163.11137	5.1
163.14835	34.6
163.44617	2.7
165.07002	12.6
165.12810	20.9
166.07771	20.1
167.07060	50.7
167.08583	41.0
167.10707	8.5
167.14302	5.7
169.06516	7.4
171.08026	4.8
171.11734	10.6
173.13269	44.2
177.05495	17.2
177.06917	3.8
179.14273	6.9
181.04999	27.1
181.08685	6.8
181.10188	10.1
183.08125	3.2
184.08850	12.4
185.09662	5.9
191.14308	56.9
194.07283	5.1
195.07988	27.8
196.08885	3.2
197.05911	19.1
199.11206	18.2
209.08063	7.4
209.09760	7.0
209.15353	52.3
212.08331	15.0
227.07056	8.0
227.10699	100.0
227.16383	36.4
228.10995	4.0
238.43893	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	227.1068
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.01863	2.9
67.05483	1.1
69.03421	2.3
71.15143	2.0
78.04776	1.0
79.05513	1.9
81.07051	0.9
91.05472	5.0
93.07010	1.2
95.04936	1.5
95.08608	1.2
98.35313	0.9
100.11253	1.1
103.05458	2.2
105.07030	3.4
115.05447	2.9
117.07015	1.5
121.06480	2.6
123.04449	1.6
124.05237	1.3
128.06221	6.3
129.07034	6.4
131.08556	2.0
135.08058	2.3
137.05992	1.6
140.04767	1.1
141.06982	9.0
142.07773	3.7
143.08557	12.9
145.06465	2.2
145.10139	10.6
149.05957	2.7
152.06223	1.7
153.06993	9.6
154.07768	2.5
154.86887	1.0
155.08540	12.4
156.09352	15.0
157.06558	1.5
157.10168	5.6
158.06122	1.2
158.07304	14.4
159.08052	4.3
165.07018	36.9
166.07802	31.7
167.07083	18.7
167.08540	3.3
168.05757	4.3
168.09415	1.3
169.06503	18.2
169.10176	1.8
171.08072	10.7
171.11707	10.7
173.09639	82.9
177.05469	4.6
179.08569	6.9
181.04970	1.7
181.06497	1.8
181.08511	1.1
181.10129	27.2
182.07283	3.4
183.08063	42.1
184.08844	51.6
185.09616	5.1
191.08577	2.2
194.07251	6.9
195.08084	1.7
197.06003	9.8
197.07587	1.2
197.07909	1.5
197.09622	13.1
198.10333	1.5
199.11200	68.5
200.11551	1.4
209.09631	82.6
210.10185	2.1
211.07565	5.5
212.08336	63.7
227.10680	100.0
227.17961	2.6
228.10968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1068
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
53.03940	1.2
55.01859	3.2
55.05499	3.3
58.30072	1.0
67.05502	2.6
69.03420	4.3
69.07084	1.3
71.04996	1.7
71.17384	1.9
79.05466	3.6
80.75920	0.9
81.03429	1.5
81.07036	2.7
83.04952	1.2
91.05506	6.7
93.07037	3.0
95.04973	2.5
95.08598	2.6
98.97587	2.3
99.04447	2.6
100.11248	1.7
103.05510	1.6
105.07040	7.7
107.04964	2.0
107.08600	2.7
111.08111	1.0
114.09328	0.9
115.05416	4.9
117.06992	2.8
119.04955	0.9
119.08556	1.9
119.31728	0.9
121.06512	4.5
121.10146	1.7
128.06241	13.8
129.07007	11.1
130.07758	2.5
131.04912	2.2
131.08530	2.5
141.06998	14.7
142.07799	11.4
143.08574	21.1
145.06494	3.5
145.10121	10.8
152.06232	2.4
153.07010	7.3
154.07822	2.3
155.08578	12.2
156.09366	33.5
157.06537	7.8
157.10136	14.3
158.07268	6.9
159.08051	2.3
165.07033	16.8
166.07806	18.6
167.07030	3.8
167.08441	1.9
168.09366	3.0
169.06490	9.6
170.07338	2.5
171.08075	15.1
171.11702	26.0
173.06035	1.4
173.09644	17.7
173.13232	1.1
177.05478	1.9
179.08580	2.2
181.06508	1.2
181.10133	32.2
183.08055	8.8
183.11707	4.1
184.08853	27.8
185.05995	5.5
185.09642	8.2
185.13155	1.2
194.07315	1.9
197.06017	2.4
197.09630	3.6
199.07486	3.2
199.11200	56.6
209.09653	21.1
212.08331	11.4
227.10680	100.0
228.10980	1.3
230.14008	1.0
245.11789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.01856	2.5
57.01966	1.4
66.27478	1.0
69.03400	1.3
70.62443	3.1
91.05537	1.1
101.28919	1.0
102.08759	1.2
115.05428	2.7
117.07024	2.4
128.06224	6.2
129.06992	3.7
130.07750	1.2
141.06970	7.7
142.07739	3.9
143.08571	9.2
145.06430	1.7
145.10103	8.2
153.06946	7.3
155.08533	8.9
156.09338	11.2
157.10138	2.5
158.07303	9.0
159.08060	4.6
165.05623	1.3
165.07008	21.4
166.07802	17.7
167.08427	2.1
168.05730	3.0
169.06482	15.6
171.08084	9.8
171.11664	9.2
173.09630	76.0
174.09929	1.6
178.07806	1.7
179.08612	4.8
181.10129	16.2
182.07294	3.4
183.08067	33.4
183.11630	1.5
184.08847	43.7
185.09518	3.4
191.08551	1.1
194.07233	5.6
195.08076	2.1
197.05919	8.1
197.09648	12.2
199.11186	62.4
209.09619	57.2
210.10077	1.9
211.07555	3.7
212.08333	49.4
227.10678	100.0
228.11052	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	227.1068
Annotation	Pinosylvin methyl ether
Peak:m/z	Relative Intensity
53.03948	1.2
55.01854	2.4
55.05516	1.3
58.72506	0.7
63.18294	0.7
67.05486	1.8
69.03416	2.4
69.25865	1.6
69.26270	6.4
78.04694	1.0
79.05515	3.8
81.07050	3.1
91.05482	9.6
93.07059	2.1
95.04961	1.4
100.11216	1.6
103.05456	2.8
105.06397	0.9
105.07040	11.7
107.04960	2.1
115.05449	2.8
117.07013	3.0
119.04931	0.8
121.06497	4.0
128.06227	15.5
129.07033	14.6
130.07715	2.2
131.04900	2.2
131.08551	2.7
131.21301	0.8
137.05975	1.5
140.04710	1.2
141.07005	16.8
142.07784	17.8
143.08566	28.6
143.09695	1.4
145.06485	3.1
145.10135	8.9
149.06000	2.1
152.06149	0.9
153.07013	9.0
154.07806	4.9
155.06042	2.0
155.08565	20.0
156.09358	28.0
157.06497	6.7
157.10141	15.6
158.07242	2.3
159.04416	1.6
159.08044	1.5
165.07013	15.2
166.07794	22.6
167.07047	13.6
167.08514	2.9
168.09378	5.7
169.06480	4.3
169.10114	6.0
170.07251	2.4
171.04430	1.2
171.08073	10.7
171.11705	31.4
173.09645	13.0
177.05457	4.5
178.07771	1.1
179.08597	2.5
180.09412	1.2
181.10129	36.5
182.10625	1.7
183.08057	2.6
183.11713	4.3
184.08842	15.9
185.05939	4.9
185.09610	6.1
194.07356	1.6
197.09622	2.9
199.07492	2.9
199.11191	60.8
200.11494	1.0
209.09644	33.0
210.09886	0.9
211.07307	0.8
212.08316	4.0
227.10681	100.0
227.14348	3.1
228.10983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1068
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.01871	1.4
55.05501	1.1
57.03419	0.4
58.48890	0.4
67.05495	1.1
69.03426	1.2
69.07045	1.0
70.27520	1.5
71.04989	0.9
72.02705	0.5
78.04723	0.6
79.05477	1.5
81.03402	0.9
81.07044	0.9
81.66325	0.5
83.04964	0.5
91.05467	2.2
93.07047	1.4
94.12565	0.4
95.04972	1.1
95.08588	0.6
99.04437	0.6
100.11224	1.4
101.48748	0.4
102.71914	0.4
102.94738	0.4
103.05475	1.0
105.07030	3.0
107.04955	0.9
107.08608	0.9
107.43436	0.5
109.10188	0.5
115.05460	1.1
117.07005	1.3
118.18559	0.5
119.08598	1.4
121.06541	2.4
121.10127	1.0
125.05959	0.5
128.06213	6.3
129.06992	4.5
130.07771	0.7
131.04900	0.9
131.08575	0.9
137.06001	0.6
140.04678	1.2
141.06992	12.1
141.12704	0.5
142.07806	8.7
143.08563	18.7
145.06458	0.8
145.10130	18.7
149.05963	1.9
152.06210	0.6
153.06987	4.1
154.07774	1.0
155.05910	0.7
155.07227	0.9
155.08557	8.9
156.09352	55.0
157.06517	1.7
157.10139	14.5
158.07259	1.1
159.04384	0.6
159.08028	0.7
165.05615	0.6
165.07004	9.8
166.06363	0.8
166.07791	17.2
167.07085	10.0
167.08527	2.0
168.09358	2.9
169.06488	5.1
169.10136	2.4
171.08063	10.9
171.11696	38.2
173.09630	3.7
177.05482	2.9
179.08516	0.7
181.04984	1.1
181.10127	40.2
183.08026	4.2
183.11682	2.2
184.08847	33.3
185.05974	1.3
185.09599	3.7
185.13216	0.7
197.09608	1.6
199.11192	43.0
200.11609	0.7
209.08017	0.6
209.09642	10.6
209.13148	0.4
209.15147	0.6
212.08316	6.5
221.64413	0.5
227.10672	100.0
227.17940	2.2
228.10995	2.2
246.24698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
50.50927	0.6
51.56700	0.7
54.74713	0.7
55.01876	1.1
55.05508	1.0
55.62666	0.7
61.62454	0.8
61.67197	0.7
69.03410	0.8
71.15559	0.7
71.16306	1.8
79.05497	1.4
82.39948	0.8
91.05504	1.9
105.07028	1.1
115.05455	2.9
121.06503	1.5
128.06250	3.4
129.07036	4.6
131.04922	1.0
137.06029	1.1
141.06999	9.1
142.07791	6.8
143.04895	0.7
143.08572	10.0
145.06502	1.4
145.10115	4.6
149.06049	1.0
152.06236	1.4
153.07051	4.5
155.08551	8.7
156.09348	9.9
157.06516	1.1
157.10130	14.0
158.07288	4.7
159.08067	2.0
165.05611	0.9
165.06996	14.8
166.07793	27.9
167.07054	8.2
167.08554	2.4
168.09286	1.7
169.06459	5.6
169.10129	1.0
170.07251	1.4
171.08115	4.2
171.11696	9.6
173.09625	15.4
177.05502	2.0
179.08607	2.4
181.04919	0.9
181.10127	43.2
182.10449	0.8
183.08046	6.1
183.11714	0.8
184.08849	10.5
185.09659	7.9
191.08604	1.3
193.95172	0.8
194.07307	1.8
195.08018	0.7
197.05984	1.0
199.07497	1.4
199.11189	42.7
209.08080	1.0
209.09627	30.3
212.08324	13.5
227.10677	100.0
228.11067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	1.6
55.01656	0.6
55.01879	6.0
57.32290	0.5
61.11364	0.5
65.03944	6.5
67.05502	3.1
69.03429	0.8
69.07074	0.6
70.71784	1.0
70.72124	1.3
73.02923	37.5
79.05492	1.6
82.04187	2.4
85.02915	4.9
88.70737	0.7
91.05466	1.9
93.03394	2.9
93.07053	1.7
95.04974	5.7
97.02855	0.9
97.06534	2.3
103.05459	0.8
107.04949	1.0
108.02112	2.1
110.03672	3.2
111.04475	1.2
114.03193	0.6
115.03970	0.7
121.06525	1.8
123.04442	8.6
125.02363	3.4
125.05995	1.9
138.03093	2.1
140.04694	50.9
142.02609	2.6
145.61504	0.6
149.06004	1.1
153.05476	3.1
155.07047	59.1
156.07372	1.0
162.05023	0.6
166.06154	0.6
167.07056	2.2
171.06552	3.7
173.08113	2.4
177.05487	1.8
179.07057	3.1
181.04974	100.0
181.08391	4.5
209.08121	19.5
227.09143	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	227.0915
Annotation	Genipin
Peak:m/z	Relative Intensity
52.72081	1.0
53.03943	5.0
55.01878	3.5
55.05511	3.9
60.66677	1.0
65.03933	1.2
67.05508	3.0
69.03445	1.6
69.07069	1.7
70.10205	4.3
70.46840	1.0
71.04996	2.1
75.42574	1.0
79.05493	6.3
81.03378	1.0
81.07059	3.9
83.04990	8.7
85.06518	1.1
91.05489	20.0
93.07049	24.6
95.04976	16.6
95.08625	4.6
97.06539	1.7
98.08002	1.1
98.97565	1.0
100.02795	1.2
100.11277	1.4
103.05472	19.6
105.04515	1.9
105.07031	1.8
106.04206	1.5
106.68432	1.0
107.05020	2.0
107.08597	4.0
109.06544	2.0
109.10164	4.3
119.04951	1.5
119.08637	1.6
120.05682	1.8
121.06512	87.9
121.10144	3.3
121.37264	1.0
122.06827	1.3
123.04452	4.9
123.11738	1.8
124.05212	1.6
125.09624	1.4
127.13018	1.1
131.04912	1.9
133.10112	4.3
134.03624	1.1
137.06004	3.3
139.11162	1.1
140.04698	19.5
141.07074	1.0
147.04424	3.5
148.05173	1.4
149.05994	28.0
149.13313	1.5
151.03949	1.1
151.11217	3.2
152.15993	1.1
153.09106	2.0
155.07048	13.1
159.05598	5.4
161.13335	2.3
163.07663	1.2
163.14812	1.3
165.05486	1.7
166.06303	3.3
167.07060	21.7
173.09543	1.3
173.13275	1.2
177.05482	100.0
181.05019	2.6
181.08617	33.3
181.10217	1.9
191.14375	1.9
209.08086	17.4
209.15355	9.1
227.14421	1.4
227.16423	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03939	1.5
55.01868	0.9
55.25633	0.6
56.39736	0.7
56.96552	0.6
65.03931	0.5
69.03452	0.5
69.07014	0.6
71.50868	1.1
78.04718	3.4
79.05495	1.9
81.07035	0.7
88.97171	0.5
89.03915	1.0
91.05489	6.1
93.03506	0.6
93.07043	3.8
94.04206	0.6
95.04984	2.9
97.02892	0.9
98.97597	1.0
101.00898	0.5
103.05481	7.0
105.03374	1.0
106.04171	2.3
106.86092	0.5
107.04982	3.0
109.73501	0.5
117.03387	1.4
118.01239	0.6
119.01968	1.2
121.06516	11.1
122.03628	1.2
123.04453	8.4
124.05244	2.8
131.04941	5.9
133.02863	1.2
134.03604	2.4
135.04410	1.2
137.05981	10.2
140.04718	2.7
145.02733	0.5
145.03511	0.7
147.04453	1.6
148.05176	2.5
149.06000	16.7
151.03934	1.3
152.04688	2.5
153.05493	1.0
155.07001	1.6
156.03342	1.7
157.03543	0.7
158.99783	0.5
159.04446	3.9
163.03975	1.0
165.05542	0.8
167.07057	100.0
168.07669	2.6
174.04437	1.5
176.04738	0.8
177.05486	30.0
178.05997	0.7
181.08585	1.0
185.02815	0.6
186.04404	1.7
191.07083	1.2
194.05806	1.4
203.04102	0.5
204.05455	1.0
209.08093	7.6
209.09895	0.7
227.10953	0.7
244.04237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03937	1.1
55.01878	5.7
55.05505	1.0
65.03945	7.2
67.05512	2.9
69.03420	1.7
71.04982	0.6
71.57778	1.2
73.02923	36.1
79.05508	1.4
81.07051	1.7
82.04199	2.6
85.02893	4.2
86.09689	0.8
91.05473	2.5
93.03394	1.9
93.07043	2.2
95.04975	8.1
95.05573	1.0
97.02889	0.9
97.06522	2.6
98.97585	1.1
99.04449	1.7
100.11266	1.5
103.05466	1.6
105.07062	1.3
107.04942	0.9
107.08590	1.4
108.02102	1.0
109.06496	1.1
109.10126	0.7
110.03663	3.5
116.98643	1.0
119.08572	1.1
121.06496	2.8
121.10130	1.3
123.04440	8.8
123.11688	0.9
125.02344	2.7
125.05978	2.4
125.09631	1.6
128.06226	0.8
131.08566	0.9
133.10129	1.4
138.03123	2.1
138.05772	0.6
139.03893	0.7
140.04694	51.5
142.02618	2.7
149.06024	1.4
152.06223	2.2
153.05479	2.4
153.09090	1.4
155.07043	56.3
156.09378	1.5
157.10175	1.0
165.06969	1.3
166.07774	1.7
167.07047	4.7
167.08598	4.8
169.06467	1.1
171.06586	5.2
171.11688	0.6
173.08098	2.7
173.13139	0.7
177.05518	1.7
179.07034	2.5
181.04973	100.0
182.05319	1.8
184.05104	0.7
184.08852	1.3
195.08032	4.9
197.05951	1.8
199.07388	0.7
199.11180	1.3
209.08099	20.4
209.15375	1.7
212.08331	1.9
227.07111	0.7
227.09111	9.4
227.10736	10.1
227.14177	0.8
227.16322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.253
Annotation	(2R-trans)-2-Butyl-5-heptyl-pyrrolidine
Peak:m/z	Relative Intensity
50.98086	0.4
53.03943	0.7
55.05516	15.1
57.07080	4.1
67.05493	0.7
69.03401	0.4
69.07075	23.4
70.92050	0.9
70.92395	0.4
71.08621	1.9
75.34187	0.4
79.05484	1.0
81.07044	1.0
83.08147	0.7
83.08627	12.7
85.10175	0.7
86.09221	0.6
86.09716	9.1
91.05511	0.8
93.07057	0.4
95.08620	0.6
97.10176	6.6
100.11247	2.0
105.07043	1.0
107.04946	1.1
111.11712	1.6
117.07009	0.7
120.05576	1.4
121.06529	1.0
128.06216	1.2
128.14371	6.1
129.06990	1.2
137.05936	0.5
141.07002	1.2
142.07777	0.9
142.15862	0.6
143.08563	1.5
145.10136	1.2
154.06438	0.4
155.08559	1.2
156.09311	1.4
157.10103	1.0
165.07010	1.5
166.07764	1.4
167.07047	1.9
168.09248	0.5
169.10164	0.6
171.08076	0.7
171.11688	1.5
173.09630	2.8
176.31699	0.4
177.05441	0.7
179.08488	0.6
181.10156	2.8
183.08041	0.8
184.08859	1.9
197.09653	0.8
199.11183	4.7
208.06834	0.5
209.08051	0.5
209.09618	2.4
212.08284	0.7
226.09698	2.5
226.25314	100.0
227.07254	0.5
227.10681	9.4
227.14275	0.7
227.25635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
53.03945	5.9
55.01874	8.3
55.05512	14.7
57.03426	2.6
57.07057	3.2
59.04992	1.9
65.03918	8.3
67.05505	13.3
68.99784	1.7
69.03441	9.3
69.07068	11.5
69.50024	3.1
69.50438	10.4
71.04996	9.6
73.02554	2.5
73.02918	31.1
77.03953	1.5
78.04712	1.7
79.05513	12.0
81.03439	7.8
81.07057	13.4
82.04196	2.7
83.04992	10.5
83.08616	4.9
85.02905	5.8
85.06553	3.6
86.09688	7.2
91.05485	28.7
93.07044	41.0
95.04976	22.7
95.08616	14.1
97.02919	2.7
97.06528	6.7
97.10136	2.3
99.04456	7.1
99.08091	2.0
100.11254	18.8
103.05463	20.0
105.04507	2.1
105.07033	9.5
106.04176	2.3
107.04947	6.6
107.08597	15.7
109.02879	2.6
109.06529	7.6
109.10155	12.2
110.03680	3.1
111.04444	5.3
111.08073	9.1
115.05459	1.6
117.07014	1.8
119.08556	5.1
120.05714	1.7
121.06512	86.1
121.10156	14.6
122.03632	1.9
123.04428	14.1
123.08080	5.6
123.11663	2.8
125.02351	3.4
125.05984	3.2
125.09650	3.9
128.06216	3.4
129.06975	2.4
131.04930	4.3
131.08546	5.4
133.10129	17.7
135.04436	2.0
135.08031	4.7
135.11679	5.6
137.05995	5.2
137.09563	3.5
138.03134	2.6
138.09142	1.8
139.03894	3.7
139.07538	3.6
139.11189	3.9
140.04691	58.3
141.06990	2.3
142.02614	3.3
143.08594	1.7
145.06477	1.9
145.10106	4.1
147.04427	2.2
147.11720	1.9
148.05173	3.9
149.05989	36.4
149.09589	1.6
149.13232	4.7
151.11214	6.0
153.05513	1.5
153.06979	1.6
153.09135	4.3
153.12752	3.9
155.07039	56.0
156.09383	2.5
159.04414	2.5
159.05560	6.2
161.13264	3.4
163.07530	2.6
163.14806	6.2
166.06265	5.7
167.07047	37.7
168.07298	3.8
171.06554	4.9
171.08000	1.9
171.11636	3.7
173.08098	4.3
173.13235	6.7
177.05479	100.0
178.05815	2.6
179.14337	3.4
181.04968	78.3
181.08594	31.7
181.10109	2.8
181.15851	3.2
182.08989	3.0
182.11711	2.5
183.06595	2.1
183.09212	3.8
191.14304	6.7
192.10316	1.9
195.06554	2.6
199.11197	3.8
209.08095	42.9
209.13101	2.2
209.15407	8.0
212.08339	1.9
216.04625	1.5
227.06999	6.5
227.09161	14.8
227.10858	5.9
227.16252	23.5
228.10141	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.185
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
53.03949	2.9
55.01869	3.3
55.05514	14.3
57.03431	2.4
57.07087	12.1
59.05009	13.8
59.83183	1.7
62.92618	2.0
64.13480	1.7
67.05511	16.6
69.03429	4.4
69.07075	31.4
71.04996	71.0
71.55843	1.3
73.69577	1.6
79.05494	13.8
81.03438	3.2
81.06576	3.8
81.07057	63.6
83.04978	6.1
83.08630	11.4
84.56214	1.7
85.02898	3.7
85.06551	6.2
88.08639	1.9
91.05485	19.2
93.07050	92.8
95.04968	7.1
95.08612	67.8
96.20492	1.6
97.06551	5.3
97.10180	2.5
99.04449	7.5
99.08135	3.2
101.06014	3.2
101.95026	3.6
105.03403	6.0
105.07038	38.3
107.04949	4.6
107.08600	76.7
109.06533	7.2
109.10163	38.2
111.08086	27.6
119.04951	3.9
119.08599	17.2
119.96070	3.0
120.05579	2.3
121.10149	43.3
123.04462	2.5
123.08087	8.5
123.11719	46.5
125.06123	1.9
125.09641	12.8
129.07018	4.6
131.08560	4.0
133.10141	54.9
135.11682	4.2
137.09615	1.9
137.13274	16.2
139.07545	2.4
141.06984	8.3
143.08582	3.9
145.10155	1.9
147.04463	3.8
147.11694	38.2
149.13272	100.0
151.07565	5.3
151.11189	22.5
153.06987	5.4
154.07825	8.2
155.08566	10.4
155.14317	4.3
156.09311	1.7
157.61450	1.7
161.13330	5.9
165.05640	1.8
165.07031	5.5
165.09203	3.8
165.12799	3.7
166.07800	3.5
167.07072	3.5
167.08533	3.7
167.10661	2.6
167.14328	95.2
168.09312	2.6
169.10155	16.2
175.03966	1.9
179.08556	10.9
181.06474	3.4
181.10057	3.8
182.07271	9.4
182.10858	2.8
183.08134	2.2
183.11687	11.8
189.16394	64.9
192.04185	2.4
192.09236	2.8
193.05069	2.0
195.08031	2.8
195.11865	2.0
196.12544	2.1
197.09613	14.4
197.13292	4.6
207.06531	4.2
207.11842	2.4
207.13786	2.8
207.17421	36.7
210.06892	2.2
210.10536	2.9
211.64127	1.9
225.07138	3.9
225.09180	42.1
225.12982	21.3
225.14799	7.5
225.16423	18.5
225.18536	34.6
226.09721	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01883	2.0
55.05512	4.7
57.03440	1.7
59.05002	2.5
65.03951	1.6
67.05510	10.4
68.98763	1.2
69.03424	3.9
69.07083	3.3
69.35495	1.1
69.84866	6.0
70.14583	1.1
70.72436	1.1
71.04992	16.4
79.05509	8.0
81.03421	2.8
81.07059	9.4
83.04988	7.1
83.08626	2.3
85.02915	2.7
85.06541	1.6
88.95517	1.1
91.05485	10.8
93.07052	20.2
95.04965	4.3
95.08602	7.8
97.06541	6.3
98.21568	1.6
99.04471	4.8
99.08145	1.2
103.05466	1.2
105.07041	22.9
107.04970	1.5
107.08588	13.5
109.06516	6.7
109.10173	17.3
110.28292	1.2
111.08102	2.8
115.76166	1.1
119.04973	3.4
119.08589	17.9
121.06524	3.2
121.10150	45.9
123.08102	10.4
123.11717	3.8
125.05972	6.5
125.09669	1.4
128.06245	1.3
131.08588	2.8
133.10153	6.8
135.08032	3.4
135.11708	4.4
137.09612	25.4
137.13272	1.5
143.08629	2.7
145.10141	4.5
147.08069	4.9
147.11694	12.5
149.09624	100.0
151.07558	8.6
151.11195	1.9
155.10713	1.3
156.09369	2.3
160.08887	1.2
161.09657	3.7
161.13275	12.4
162.06778	1.7
163.11209	10.7
164.04742	2.3
165.09152	5.2
165.12764	4.4
167.07051	3.1
167.10733	1.9
168.07793	1.2
171.11627	6.7
174.10408	4.8
181.12233	2.3
182.02113	1.6
189.12741	22.2
192.04230	1.7
193.08577	1.6
197.05812	1.4
207.13841	13.9
210.05200	8.8
225.07393	7.6
225.09435	2.5
225.11188	2.2
225.14789	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.16281	0.7
53.03936	0.7
55.05515	4.9
56.33733	0.6
57.03439	1.1
59.05000	0.7
60.84824	0.7
64.22316	0.7
67.05508	1.9
69.03408	0.8
69.07055	1.1
69.16142	0.7
71.04998	36.6
71.56551	0.9
79.05495	3.0
81.03429	2.0
81.07065	6.6
83.04972	3.6
83.08627	6.1
85.02905	2.6
90.82658	0.7
91.05492	3.4
91.41829	0.7
93.07032	1.6
95.04971	1.7
95.08608	6.4
97.06550	1.6
99.04463	100.0
99.08144	1.1
105.07059	4.2
107.04982	1.2
107.08609	31.7
109.06535	22.2
109.10185	1.6
111.04478	1.6
113.09646	3.7
119.08581	2.7
121.10155	8.4
123.08079	16.8
123.11719	12.4
125.06010	2.2
125.09633	8.3
131.08595	1.4
137.09641	1.6
139.11163	2.7
141.12775	1.1
147.11713	4.6
149.09636	8.8
151.07582	1.4
154.33044	0.8
161.13239	0.9
163.04004	1.0
165.12770	8.0
167.10692	23.9
169.10196	1.1
182.07295	1.3
183.13821	28.4
189.12791	2.2
197.09637	0.8
207.13799	2.7
225.09123	2.2
225.14868	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03946	5.1
55.01867	3.3
55.05268	2.2
55.05516	31.9
56.05026	2.9
57.03433	4.2
57.07085	10.2
59.05004	17.4
65.03940	5.9
67.05508	41.8
69.03425	7.3
69.07069	15.9
71.05009	9.3
71.08646	2.2
79.05502	45.0
81.03431	9.8
81.07063	45.2
83.05000	8.4
83.08633	15.9
85.02910	12.0
85.06549	3.9
89.57718	1.4
89.74635	1.5
91.05484	36.3
93.07057	44.3
95.04976	13.8
95.08614	85.7
97.02886	2.4
97.06540	8.0
97.10201	2.4
99.04470	11.2
101.09667	29.2
103.05462	2.8
103.31105	1.4
105.03400	5.4
105.07032	29.3
107.04959	11.8
107.08601	100.0
109.02888	4.5
109.06526	20.8
109.10154	25.2
111.04484	8.8
111.08085	4.8
113.06042	2.0
115.05431	1.6
117.07037	2.2
119.04944	9.8
119.05959	2.6
119.08589	34.6
121.06492	2.3
121.10151	43.9
123.04510	8.2
123.08079	36.7
123.11713	9.2
125.05988	18.9
125.09648	6.4
128.00798	8.1
131.08574	1.9
133.06499	3.3
133.10176	8.4
135.08063	13.3
135.11702	7.9
137.05984	11.9
137.09625	13.7
137.13223	11.8
139.07570	9.8
141.05490	3.4
141.06975	4.7
141.09108	3.7
143.08530	2.0
147.04401	9.2
147.08026	4.2
147.11713	5.6
149.09631	14.2
151.07549	54.9
151.11221	2.9
151.14812	4.5
153.05495	2.4
153.07115	2.3
153.09128	32.4
154.06432	1.6
154.07748	3.3
155.08476	1.5
161.09662	4.2
161.13269	42.6
163.11211	1.7
163.14934	3.8
164.04796	1.5
165.05470	2.2
165.06888	3.3
165.09109	7.8
165.12738	5.3
167.07092	5.4
167.10719	20.6
169.08615	4.6
169.10138	4.1
171.11702	2.9
175.03914	11.4
178.07736	2.3
179.07005	1.8
179.08585	5.0
179.14331	21.0
180.04236	3.9
181.08623	2.8
181.10110	1.8
182.07254	4.7
183.11632	2.6
183.13748	1.9
185.73720	1.8
189.12770	18.2
192.04208	5.0
196.08873	2.2
197.06003	3.3
197.09700	4.4
207.06592	14.1
207.13812	84.3
210.06743	3.5
225.05461	3.5
225.07355	3.1
225.09122	17.2
225.12730	2.7
225.14792	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.98759	1.2
55.05524	7.4
57.07058	2.1
67.05501	3.8
69.03413	3.8
69.07047	1.6
70.51206	3.1
70.51588	2.9
71.04996	34.9
71.87743	1.4
79.05485	5.3
81.03372	1.5
81.07062	12.1
83.04977	4.4
83.08610	6.3
85.02884	4.1
85.06541	2.1
91.05470	5.7
93.07071	6.7
95.04967	3.0
95.08014	2.1
95.08600	10.5
97.06531	4.0
99.04462	100.0
105.07038	11.0
107.08605	36.6
109.05801	1.9
109.06529	34.2
109.10149	2.6
111.08083	2.3
113.09615	4.0
116.17684	1.5
119.08592	11.6
121.10143	21.4
123.08078	25.9
123.11695	11.6
125.09627	10.2
131.08592	3.5
133.10127	2.4
135.11736	7.3
137.09648	2.3
141.09088	4.1
141.12715	1.8
147.08023	1.6
147.11736	8.2
149.09630	41.0
149.72385	1.3
151.07535	5.8
151.61194	1.6
156.09364	1.9
161.13257	8.5
165.06973	6.7
165.09201	1.9
165.12755	12.6
167.10703	21.3
171.11716	3.2
176.10701	2.2
179.14270	4.6
182.07303	1.7
182.61809	1.4
183.13818	26.9
187.21178	1.3
189.12787	4.7
194.11826	1.6
195.13945	1.7
207.13832	17.0
207.93857	1.6
210.06770	2.0
225.09120	18.2
225.14861	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.87246	0.9
55.05510	1.7
57.03415	0.9
57.07082	2.8
65.03946	0.9
67.05500	4.7
69.03434	1.7
69.07042	1.6
71.04978	1.9
71.46915	1.1
71.47257	0.9
77.57586	1.0
79.05508	2.8
81.07063	19.8
83.04994	2.5
85.02914	100.0
85.18478	0.8
91.05491	2.8
93.07065	3.2
95.05017	1.6
95.08617	5.2
97.06520	1.2
99.04460	1.2
99.30013	0.9
105.07056	3.9
107.08611	6.3
109.06532	3.2
109.10155	10.9
119.04943	1.5
119.08617	4.2
121.10162	9.1
123.08094	2.4
123.11722	75.1
125.05991	6.8
125.09627	2.5
131.08609	1.9
133.10190	1.2
135.42894	0.8
137.09663	1.5
139.11209	1.6
141.05400	1.0
145.10202	1.5
147.04417	1.0
147.08043	2.3
147.11717	4.2
149.09636	8.5
151.07538	4.1
161.13220	1.8
165.07051	2.9
167.10664	1.6
169.08595	1.2
175.03958	1.3
182.07236	1.6
183.13934	1.6
189.12776	5.3
207.06494	2.2
207.13802	16.9
210.06764	1.6
225.09171	3.8
225.14865	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	225.1487
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03941	1.1
54.30185	0.7
55.05514	4.6
56.93795	0.7
57.03434	0.7
57.07055	0.8
59.04996	1.2
67.05505	2.3
69.03419	1.2
69.07067	1.2
70.17392	1.8
70.17784	1.0
71.05000	38.7
79.05505	4.6
81.03429	1.8
81.07063	6.3
83.04999	1.7
83.08629	6.5
85.02908	1.3
85.06571	0.9
88.77154	0.8
91.05492	3.3
93.07057	3.7
93.23994	0.7
95.04994	1.6
95.08614	7.2
97.06547	1.9
97.10159	0.7
99.04464	100.0
99.08096	0.9
105.03433	1.9
105.07040	4.6
107.08607	32.1
109.06522	23.3
109.10163	1.1
113.09657	4.4
117.21970	0.8
119.08596	3.3
121.10153	11.7
123.08083	15.3
123.11723	11.2
125.09642	6.9
129.07054	0.8
131.08565	2.2
137.09604	2.1
137.13208	0.8
139.11217	2.5
141.07008	1.4
141.12759	1.4
143.08549	0.9
145.10129	1.4
147.11696	5.8
149.09633	15.9
151.07562	1.1
153.06944	1.2
154.07784	0.9
155.08585	2.0
156.09328	1.4
161.13338	1.2
164.16823	0.6
165.12762	9.6
166.07721	0.9
167.10693	24.9
169.10115	3.4
177.21889	0.8
179.14333	2.0
181.10155	1.2
182.11002	1.4
183.11803	2.6
183.13824	26.9
189.12775	2.3
197.13272	1.1
207.13812	3.9
225.09084	3.4
225.12772	3.6
225.14906	14.1
225.16525	3.9
225.19756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05511	2.4
57.07076	2.7
67.05508	6.2
69.03425	1.5
69.07079	0.9
70.79710	0.8
71.04999	1.1
71.07893	2.2
79.05493	4.4
81.07063	18.6
83.04989	1.9
85.02910	100.0
87.04470	1.0
91.05508	4.2
93.07053	4.0
95.04993	1.6
95.08614	9.7
97.06515	1.6
99.04447	1.0
105.07023	6.2
107.04975	1.7
107.08619	5.8
108.05745	1.2
109.06507	3.2
109.10165	11.6
111.04489	1.1
119.08582	3.9
121.06522	1.5
121.10155	11.0
123.08059	4.9
123.11714	78.1
123.63553	0.9
125.05998	8.8
131.08636	1.0
133.06496	1.4
133.10124	1.1
137.09662	2.6
139.07564	1.1
141.05470	1.1
142.33063	0.9
145.10138	1.7
147.04373	1.2
147.08069	3.6
147.11678	2.7
149.09645	10.7
150.06764	1.1
151.07547	16.1
151.11182	1.7
153.05481	2.0
161.13231	1.8
162.06812	1.4
163.11221	3.2
165.09108	6.8
165.12805	1.7
167.07066	5.5
167.08276	0.8
168.07860	3.4
189.12737	6.8
191.35501	0.9
192.07739	1.5
193.08656	4.2
207.06537	1.1
207.13829	15.6
210.06892	1.2
210.08871	1.7
225.09044	3.6
225.11261	6.4
225.14775	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	225.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.50895	0.2
55.01869	0.3
55.05499	0.8
57.03429	0.6
57.07068	0.4
59.04987	0.2
65.03934	0.6
67.05500	0.8
69.03433	1.2
69.07054	0.7
70.07444	0.9
71.04999	1.7
71.36593	0.2
73.02930	0.3
78.04713	0.4
79.05489	2.0
81.03408	0.9
81.07067	1.5
83.04993	2.4
83.08606	0.2
85.02906	0.8
85.06529	0.4
89.03922	0.2
90.04643	0.2
91.05490	2.7
93.07047	1.3
95.04974	2.7
95.08632	1.3
97.02900	0.4
97.06541	1.6
98.97585	0.3
99.04465	2.1
105.03381	0.9
105.07015	1.5
106.04179	0.6
107.04955	1.7
107.08606	3.4
108.05730	0.6
109.06522	2.2
109.10153	0.8
111.04425	0.4
111.08079	0.3
113.06017	0.3
115.03916	0.2
115.05427	0.3
118.04165	0.3
119.04950	0.6
119.08577	1.5
120.05706	0.6
121.06529	1.2
121.10158	1.6
123.04435	1.5
123.08065	2.1
123.11715	0.5
125.06001	3.2
125.09621	0.4
131.08565	0.6
133.06520	0.5
133.10147	0.8
135.04434	0.7
135.08029	0.7
135.11691	0.5
136.05193	0.8
137.05984	4.5
137.07037	0.3
137.09587	1.1
137.13271	0.3
138.06775	1.9
138.09239	0.2
139.07545	0.4
143.08498	0.2
145.10124	0.7
147.04333	0.3
147.07988	0.3
147.11734	0.9
148.05197	15.9
149.05969	0.8
149.09630	1.5
151.03940	2.0
151.07565	2.4
151.11166	0.6
153.05475	0.3
153.09059	0.3
154.06261	0.2
159.11699	0.3
161.05997	0.5
161.09561	0.3
161.13229	1.0
163.07416	0.3
163.11182	4.8
164.08305	0.7
165.05446	1.0
165.09145	0.6
165.12720	0.5
166.06242	1.6
167.07014	1.0
167.10648	0.5
168.05501	0.2
168.07867	0.2
169.08615	0.3
171.11729	0.5
176.08398	1.3
177.05486	0.2
177.12698	0.2
179.07150	0.3
179.11839	0.5
179.14307	0.4
180.04193	0.2
180.07802	0.9
181.08600	100.0
182.07414	0.3
182.08969	1.6
182.10394	0.3
183.13763	0.3
189.12758	1.4
192.07855	0.4
193.04996	0.3
193.08511	0.3
194.08336	0.4
195.10175	2.3
197.06105	0.4
207.06552	0.4
207.09937	3.1
207.13780	1.9
225.05640	0.5
225.09212	0.5
225.11169	0.7
225.12714	0.4
225.14711	3.3
228.14650	0.2
245.06009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01878	1.8
55.05509	4.9
57.03429	2.1
57.07068	1.2
59.05001	2.1
64.85538	0.8
65.03946	1.9
67.05512	6.3
69.03438	5.0
69.07058	2.9
70.85032	0.7
71.04989	1.8
71.09951	1.6
71.10293	1.4
78.04696	1.0
79.05127	0.9
79.05500	9.4
81.03424	2.0
81.06664	0.8
81.07079	8.1
83.04984	5.0
83.08615	1.9
85.02914	6.8
86.21624	0.7
91.05489	16.7
93.03412	1.3
93.07050	8.2
95.04967	7.2
95.08629	7.4
97.02855	1.1
97.06533	5.3
99.04440	3.5
99.08073	0.9
103.05473	2.6
104.06277	0.9
105.03384	1.7
105.07040	19.8
106.04186	1.1
107.04971	10.2
107.08607	16.2
108.05737	3.1
109.06516	8.8
109.10162	3.8
111.04446	2.4
111.08052	1.6
115.05463	1.1
115.32612	1.0
117.06996	1.6
119.04926	1.8
119.08596	11.4
120.05726	1.6
121.06515	11.4
121.10161	7.9
122.07272	1.7
123.04432	2.6
123.08090	14.0
123.11739	4.8
125.06004	6.7
125.09630	1.4
131.08533	1.1
133.06488	7.6
133.07387	1.3
133.10141	3.7
134.07182	1.9
135.04410	3.8
135.08072	7.7
135.11713	7.5
136.05199	3.5
137.06015	4.4
137.09616	8.7
137.13257	1.4
138.06754	1.8
139.07532	6.2
141.07011	0.9
141.09113	2.4
145.10107	3.3
146.07332	1.0
147.04387	3.5
147.08044	4.5
147.11702	5.0
148.05173	3.8
149.05930	3.3
149.09644	7.2
150.06792	12.3
151.07558	100.0
151.11070	4.2
152.04694	1.7
152.08342	5.2
153.05481	16.5
153.09061	2.4
154.07695	0.8
156.09320	0.9
159.11710	1.1
161.05998	4.8
161.09682	1.5
161.13255	8.6
162.06783	17.0
163.07521	3.3
163.11176	5.9
164.08336	3.1
165.05402	1.5
165.06889	2.1
165.09125	42.8
165.12733	2.7
167.07057	47.3
167.10660	1.3
168.07840	20.6
171.11652	1.4
174.10378	0.9
175.07471	1.1
176.08325	5.7
176.86267	1.1
177.05576	4.4
177.12769	1.2
178.06250	2.4
179.07062	1.5
179.08588	0.9
179.10689	1.8
179.14349	1.5
180.07835	3.4
181.08615	19.4
181.12151	2.7
182.09338	3.0
183.10172	4.8
183.13701	1.1
189.12727	5.9
192.07823	7.3
193.08630	41.4
194.09402	3.9
195.06453	1.1
195.10197	15.9
195.13753	1.5
197.06012	1.5
197.09647	1.1
207.06485	1.4
207.10207	6.1
207.13815	12.8
210.06900	1.3
210.08856	16.0
211.23969	0.9
225.05479	1.8
225.09140	5.1
225.11212	50.3
225.14552	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1123
Annotation	Myxostiol
Peak:m/z	Relative Intensity
53.03946	0.3
53.84448	0.2
69.02238	0.2
69.29247	1.9
74.34660	0.2
74.47746	0.2
78.04684	0.3
79.05488	0.6
81.03426	0.5
81.07038	0.2
81.56579	0.2
83.04964	0.5
85.21796	0.3
85.44821	0.2
89.03910	0.3
90.04690	0.2
91.05486	1.4
92.06295	0.3
93.07061	0.5
95.04989	1.0
95.08604	0.3
98.20763	0.4
99.04457	0.2
105.07030	0.3
106.04192	0.5
107.04958	1.2
107.08618	0.3
108.05762	0.4
109.06508	0.7
118.04170	0.3
119.04952	0.4
120.05739	0.3
121.06543	0.8
123.04433	1.6
123.08096	0.4
123.11640	0.3
125.05978	0.2
135.04446	0.4
135.07988	0.2
136.05237	1.4
137.06001	3.5
138.06792	2.1
145.74342	0.2
148.05208	13.8
149.05989	0.5
151.03900	1.4
151.07538	1.1
159.80319	0.2
161.05975	0.3
162.06668	0.2
163.07495	0.3
163.11200	0.6
164.08340	0.6
165.05493	0.8
165.09122	0.4
166.06285	1.6
167.07069	0.8
173.13695	0.2
176.08342	0.8
177.05508	0.2
179.05939	0.4
180.07858	0.7
181.08614	100.0
182.08980	1.4
192.07875	0.3
194.08350	0.4
195.10149	2.3
207.10199	3.5
207.13652	0.4
225.11404	1.1
225.15065	0.4
244.08466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1123
Annotation	Erigerenone C
Peak:m/z	Relative Intensity
53.03933	1.6
55.01878	1.8
55.05509	4.9
57.03429	2.1
57.07068	1.2
59.05001	2.1
64.85538	0.8
65.03946	1.9
67.05512	6.3
69.03438	5.0
69.07058	2.9
70.85032	0.7
71.04989	1.8
71.09951	1.6
71.10293	1.4
78.04696	1.0
79.05127	0.9
79.05500	9.4
81.03424	2.0
81.06664	0.8
81.07079	8.1
83.04984	5.0
83.08615	1.9
85.02914	6.8
86.21624	0.7
91.05489	16.7
93.03412	1.3
93.07050	8.2
95.04967	7.2
95.08629	7.4
97.02855	1.1
97.06533	5.3
99.04440	3.5
99.08073	0.9
103.05473	2.6
104.06277	0.9
105.03384	1.7
105.07040	19.8
106.04186	1.1
107.04971	10.2
107.08607	16.2
108.05737	3.1
109.06516	8.8
109.10162	3.8
111.04446	2.4
111.08052	1.6
115.05463	1.1
115.32612	1.0
117.06996	1.6
119.04926	1.8
119.08596	11.4
120.05726	1.6
121.06515	11.4
121.10161	7.9
122.07272	1.7
123.04432	2.6
123.08090	14.0
123.11739	4.8
125.06004	6.7
125.09630	1.4
131.08533	1.1
133.06488	7.6
133.07387	1.3
133.10141	3.7
134.07182	1.9
135.04410	3.8
135.08072	7.7
135.11713	7.5
136.05199	3.5
137.06015	4.4
137.09616	8.7
137.13257	1.4
138.06754	1.8
139.07532	6.2
141.07011	0.9
141.09113	2.4
145.10107	3.3
146.07332	1.0
147.04387	3.5
147.08044	4.5
147.11702	5.0
148.05173	3.8
149.05930	3.3
149.09644	7.2
150.06792	12.3
151.07558	100.0
151.11070	4.2
152.04694	1.7
152.08342	5.2
153.05481	16.5
153.09061	2.4
154.07695	0.8
156.09320	0.9
159.11710	1.1
161.05998	4.8
161.09682	1.5
161.13255	8.6
162.06783	17.0
163.07521	3.3
163.11176	5.9
164.08336	3.1
165.05402	1.5
165.06889	2.1
165.09125	42.8
165.12733	2.7
167.07057	47.3
167.10660	1.3
168.07840	20.6
171.11652	1.4
174.10378	0.9
175.07471	1.1
176.08325	5.7
176.86267	1.1
177.05576	4.4
177.12769	1.2
178.06250	2.4
179.07062	1.5
179.08588	0.9
179.10689	1.8
179.14349	1.5
180.07835	3.4
181.08615	19.4
181.12151	2.7
182.09338	3.0
183.10172	4.8
183.13701	1.1
189.12727	5.9
192.07823	7.3
193.08630	41.4
194.09402	3.9
195.06453	1.1
195.10197	15.9
195.13753	1.5
197.06012	1.5
197.09647	1.1
207.06485	1.4
207.10207	6.1
207.13815	12.8
210.06900	1.3
210.08856	16.0
211.23969	0.9
225.05479	1.8
225.09140	5.1
225.11212	50.3
225.14552	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33276	0.7
70.04244	3.6
73.25855	0.7
82.99879	1.1
84.96037	1.3
98.20821	0.9
101.00883	22.7
115.78853	0.8
116.98702	1.0
119.01929	72.6
119.75453	0.8
120.01986	1.1
134.99890	4.1
137.02959	16.1
140.98836	1.3
142.03500	11.1
153.00938	2.4
158.99905	7.3
160.04536	4.1
161.03027	4.8
175.02989	1.0
177.00966	100.0
178.01096	7.8
179.04018	6.8
182.99866	2.0
184.02254	1.0
184.04546	1.9
193.04109	1.7
195.01990	1.8
200.02518	1.2
201.00865	4.8
201.02507	3.1
202.02568	1.4
202.05565	1.5
217.04082	8.9
219.02019	87.3
219.94534	1.5
220.02127	9.3
225.00931	3.4
225.04356	1.1
234.00757	1.2
242.03535	1.5
243.01962	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	225.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23390	0.2
65.03916	0.3
67.05494	0.4
69.41184	1.3
69.41608	0.5
71.04987	0.4
77.03952	0.2
78.04696	0.4
79.05489	0.8
81.03402	0.4
81.07058	0.5
83.04962	0.4
89.03927	0.2
91.05486	2.1
93.07029	0.4
95.04942	1.0
95.08614	0.4
99.04469	1.2
105.07053	0.5
107.04933	1.3
107.08609	0.5
108.05711	0.5
109.06511	0.9
109.10155	0.4
119.04974	0.3
119.08549	0.3
121.06505	0.7
122.03671	0.3
123.04434	1.1
123.08067	0.5
125.06031	0.4
135.04417	0.2
136.05205	1.0
137.05974	3.8
137.09427	0.2
138.06770	2.0
148.05196	16.4
149.05942	0.4
149.09644	0.3
150.03075	0.2
151.03957	1.7
151.07579	1.5
161.05957	0.6
163.07649	0.3
163.11172	1.0
164.08342	0.6
165.05447	0.6
165.09204	0.3
166.06242	1.6
167.07016	0.9
167.10684	0.4
168.29155	0.2
169.61493	0.2
174.06786	0.2
176.08334	0.9
179.05923	0.3
180.07877	0.7
181.08598	100.0
182.08997	1.2
192.07805	0.3
194.08243	0.4
195.10204	2.3
207.10147	3.3
207.13783	0.3
225.11133	0.8
225.14871	1.3
249.50151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Anhalidine
Peak:m/z	Relative Intensity
51.36800	0.6
53.96266	0.5
55.01859	1.0
56.05026	0.6
56.96562	3.3
57.03432	0.7
59.11591	0.7
61.02919	0.7
67.05512	1.2
68.99050	0.6
69.03413	2.3
69.07061	0.8
70.06067	2.5
70.06564	1.1
70.07395	0.6
71.04985	1.1
72.42704	0.7
73.02917	1.0
74.06069	1.9
76.16994	0.5
79.05507	1.4
81.03406	1.8
81.07030	1.1
83.04979	1.3
84.08154	2.8
84.96020	0.9
85.02884	2.1
91.05499	4.3
93.07030	1.9
95.04956	1.5
97.02872	1.9
98.21612	0.5
98.97591	5.5
99.04460	0.8
100.07613	0.6
103.03877	0.8
103.05471	5.4
105.07039	9.2
107.04953	1.8
109.06528	1.6
110.97559	0.7
111.04424	1.9
115.05476	5.8
116.98642	3.6
117.07018	3.3
119.04945	2.0
119.08594	1.0
121.06528	3.2
123.04411	1.4
128.98595	0.8
131.04933	9.2
132.08090	5.2
133.06493	10.0
134.99629	0.7
135.04424	1.0
135.08055	1.2
136.07568	0.7
137.00586	1.4
137.05986	3.2
138.05586	0.7
143.04942	6.2
145.06517	3.7
146.09651	2.1
147.08051	1.2
149.05963	2.2
150.06697	1.3
151.07553	8.4
153.05504	0.6
158.99654	1.4
159.03148	0.6
159.06732	0.7
160.05240	2.9
161.04750	1.0
161.05994	7.9
163.03876	0.9
163.06306	1.2
163.07559	11.3
164.07042	2.6
165.05450	1.0
165.09129	21.6
167.07124	3.0
168.07472	0.9
174.09123	4.1
175.07553	7.9
175.09914	2.1
176.07124	2.0
177.00717	1.2
177.05438	1.0
177.09100	3.3
178.05971	0.9
178.07246	4.1
178.08644	8.2
178.12247	0.6
179.07065	0.6
180.04115	0.9
181.08603	5.6
189.09030	1.0
190.08580	0.7
191.09383	5.2
193.08609	12.3
195.10153	1.8
196.03535	1.0
196.09644	0.8
206.08205	1.9
206.11780	17.5
207.06499	0.8
207.10257	0.8
209.10381	0.8
219.01653	1.0
224.09218	3.5
224.12819	100.0
225.13104	1.5
226.04373	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.092
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
51.41943	0.3
55.01854	0.6
55.05508	0.5
55.74556	0.3
56.05027	0.3
56.96570	2.7
57.07067	0.4
57.43384	0.3
61.02927	0.5
67.05503	0.9
69.03436	1.5
69.07070	0.7
69.68681	1.8
70.06584	1.1
71.04998	0.6
72.08151	0.3
73.02922	0.8
74.06087	0.7
79.05504	0.6
80.47517	0.3
81.03416	1.1
81.07056	0.6
82.10274	0.3
83.04976	0.9
84.04529	0.3
84.08145	1.3
84.96056	0.4
85.02914	1.7
87.04473	0.4
91.05488	4.4
91.06024	0.5
93.07041	0.5
95.04972	1.6
97.02867	1.5
98.03224	0.6
98.20843	0.5
98.97583	2.4
99.04443	0.5
103.05459	0.5
105.07038	0.6
106.07367	0.3
107.02885	0.3
107.04957	0.8
107.08581	0.3
108.04441	0.3
109.02927	0.5
111.04427	0.7
112.07623	0.9
116.98630	1.6
118.06532	1.5
119.01902	0.8
119.04969	3.8
121.06528	0.7
122.06023	0.4
123.04418	0.8
123.08044	0.4
124.03944	0.3
127.03938	0.5
128.98596	0.5
129.10216	0.6
130.08640	0.4
131.01897	0.4
131.04950	0.6
132.08101	0.6
133.06491	0.4
134.05998	0.3
134.99652	0.7
135.04396	0.5
135.06792	0.9
136.05215	0.7
136.07579	0.6
137.05995	2.3
138.05507	0.3
143.00204	0.4
143.01895	0.4
146.05995	2.2
146.99677	0.5
147.04370	0.6
149.05960	3.6
150.09137	0.6
151.07547	11.5
152.07018	0.5
153.05487	0.4
158.08121	0.3
158.97183	0.6
158.99666	0.8
161.03001	0.5
161.04639	0.5
161.05930	0.7
163.06299	16.4
164.07074	18.7
165.06024	0.3
165.09074	0.8
167.07072	0.7
168.03477	0.4
173.02922	0.4
176.98305	1.0
177.00745	0.7
177.05479	3.8
178.08640	100.0
179.07007	0.3
179.08963	0.8
180.10229	0.8
181.08507	0.6
193.08549	0.5
195.06560	0.8
195.10367	0.3
201.00706	0.8
201.02458	0.6
201.04303	0.3
201.06097	0.5
206.08165	0.8
206.10104	0.6
206.11844	0.6
218.99637	0.4
219.01764	1.0
221.04880	0.3
223.55426	0.4
224.07423	0.7
224.09189	17.2
224.12592	4.1
226.04326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2058
Annotation	Laggerol
Peak:m/z	Relative Intensity
53.03955	1.3
55.05514	50.3
57.03442	4.8
57.07087	8.5
57.07327	1.6
58.94554	1.2
59.05002	1.7
65.03928	1.3
67.05130	1.8
67.05505	29.5
69.06718	2.2
69.07073	29.0
69.45080	1.3
69.76775	7.2
71.05011	2.3
72.54494	1.1
73.06547	2.8
76.55112	1.2
77.28375	1.2
79.05499	13.0
81.07063	59.0
83.08622	13.5
91.00189	1.1
91.05473	4.2
93.07051	34.2
95.04999	2.0
95.08611	72.5
97.06626	1.3
97.10177	100.0
98.21505	1.5
99.08122	2.0
105.07042	3.3
107.04942	1.4
107.08600	32.3
109.10163	83.6
110.10537	1.6
111.11737	4.9
113.09631	1.4
119.08575	4.1
121.06448	1.6
121.10155	27.7
123.11716	53.7
125.09602	1.9
125.13304	1.7
127.11198	13.8
133.10252	1.6
135.11700	45.2
137.09560	1.9
137.13271	2.5
147.11711	1.5
149.02359	3.6
149.13271	71.4
150.13594	2.1
151.14864	3.6
163.14865	5.1
165.07019	2.1
180.09447	1.4
181.10204	1.7
193.10007	1.8
195.11737	2.0
205.19530	61.6
208.12489	1.3
223.11261	3.8
223.14850	6.2
223.17010	3.8
223.20587	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2059
Annotation	(2Z,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03929	1.7
55.01870	1.3
55.05515	61.3
56.05043	0.8
57.07086	5.2
57.07326	1.2
59.05000	1.5
62.78324	0.8
67.05511	9.8
69.03429	1.9
69.07072	30.2
69.50808	6.2
71.04998	4.6
71.08637	1.0
79.05495	7.3
81.06584	1.2
81.07061	23.6
82.07378	1.1
83.04980	2.4
83.08624	17.1
85.06526	1.8
91.05460	3.6
93.07062	12.6
95.04968	2.3
95.08059	1.5
95.08615	22.6
97.06522	3.0
97.10177	100.0
98.10529	0.9
99.04450	1.2
99.08099	3.2
105.07035	3.0
107.04934	1.2
107.08601	17.3
109.06506	1.9
109.10162	23.6
111.04386	1.0
111.08083	1.5
111.11709	1.3
113.09629	1.3
117.07001	0.9
119.08579	3.2
121.06507	1.3
121.10146	10.2
122.10452	1.0
123.04456	0.8
123.08096	1.2
123.11720	33.5
125.06055	0.9
125.09646	5.0
126.01015	1.1
127.07522	1.0
127.11190	1.0
131.08582	2.9
133.10139	2.0
135.08063	2.1
135.11700	14.6
137.09639	1.3
137.13264	2.2
141.12756	8.4
145.06505	1.1
145.10109	3.6
147.11716	2.3
149.02325	4.9
149.09625	2.6
149.13271	13.4
150.53352	0.8
153.09137	0.8
153.12743	15.0
159.08006	0.9
161.13278	0.8
163.11237	2.9
163.14922	3.9
165.05562	0.7
165.06996	2.9
165.09096	1.0
165.12788	2.4
167.08609	3.2
167.14354	2.2
168.39484	0.8
177.09097	1.2
177.12741	1.1
177.16397	2.4
179.08612	1.7
180.09377	1.7
181.10100	4.0
187.14882	1.1
190.02550	0.9
191.07037	0.9
192.07829	1.6
193.10149	2.6
194.10767	0.8
194.98247	1.1
195.08098	1.5
195.11723	1.8
205.12216	2.1
205.15878	2.6
205.19559	12.3
208.08873	1.3
208.12587	2.2
211.26140	0.9
223.05826	1.6
223.11208	5.2
223.13057	1.5
223.14835	10.4
223.16974	9.2
223.20590	44.7
225.04280	1.8
227.02313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2058
Annotation	(Z,Z)-farnesol
Peak:m/z	Relative Intensity
55.01873	1.8
55.05513	15.6
57.07068	7.1
59.04992	3.3
59.39143	1.5
67.05179	1.7
67.05511	25.6
69.06729	2.1
69.07076	29.5
69.07444	1.6
70.93787	3.1
71.04965	2.8
79.05507	13.7
81.07066	78.3
81.08971	1.6
83.04951	2.2
83.08633	13.2
85.06522	2.3
88.39614	1.6
91.05490	7.1
93.06482	2.3
93.07050	37.4
95.04947	2.9
95.08614	100.0
97.06531	3.4
97.10190	9.8
99.08092	2.2
105.07042	6.8
107.04987	2.2
107.08606	43.1
109.06528	3.4
109.10164	90.7
111.08092	3.6
111.11703	3.7
113.09639	2.6
119.08564	4.7
121.10156	31.0
123.11721	37.9
125.13341	1.8
131.08563	3.1
133.10149	2.6
135.11696	42.1
137.09573	2.1
137.13278	3.2
140.81400	1.8
147.11671	1.8
149.02361	16.7
149.13271	58.1
159.11694	2.4
159.84346	1.9
163.07603	2.0
163.11197	2.0
163.14845	7.1
165.07008	6.3
166.07817	3.9
167.08595	6.7
167.10158	1.6
179.08539	4.9
180.09296	4.9
181.10172	10.5
192.07910	1.9
193.10127	7.2
195.07855	1.8
195.11678	9.4
205.12250	2.1
205.15921	4.6
205.17664	2.9
205.19543	53.6
205.21457	3.5
208.12370	5.4
223.11511	10.1
223.14828	28.3
223.16948	8.3
223.20581	25.4
225.04306	5.7
227.02203	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
50.75615	1.9
55.01855	1.8
55.05521	10.3
57.07064	4.3
59.04991	3.2
64.15663	1.6
65.03937	2.4
67.05177	2.4
67.05508	32.3
67.38620	1.9
69.03419	4.1
69.07072	22.0
71.01410	1.7
71.04996	80.7
71.35683	1.8
71.77926	1.8
73.06557	2.5
79.05498	16.5
81.07062	41.5
81.97570	1.7
83.05000	8.5
83.08624	6.3
85.06539	4.8
89.06039	10.7
91.05486	14.8
93.06478	2.9
93.07050	54.7
95.04948	5.4
95.08609	26.6
97.06528	26.6
97.10169	2.8
99.08080	9.4
105.07021	16.7
107.04898	1.8
107.08601	100.0
109.06512	6.3
109.09467	2.9
109.10164	38.9
111.08067	8.9
115.05425	2.5
116.48990	1.6
117.07028	3.4
119.08595	25.1
121.06487	6.2
121.09414	2.4
121.10158	22.0
123.08033	5.0
123.11733	3.3
125.09637	93.1
126.01035	2.4
131.08568	6.2
133.10141	33.0
135.08081	4.4
135.11703	51.5
137.09627	97.3
145.10136	21.8
147.07967	2.1
147.11745	9.0
149.02339	5.4
149.09627	9.6
149.13246	7.8
151.11165	4.1
153.12729	2.0
159.11642	3.1
160.27507	1.7
161.13252	3.1
163.11209	36.7
163.14816	5.5
165.06993	4.1
177.12732	2.6
177.16359	8.9
179.08578	1.9
180.09264	2.5
181.10054	4.1
187.14819	23.8
195.11678	3.1
205.15886	90.7
205.25778	1.8
208.08852	2.5
208.12469	2.7
223.05896	4.2
223.11162	5.7
223.13171	3.3
223.14923	6.5
223.16930	71.2
225.04245	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	223.1693
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03948	2.3
55.01865	2.4
55.05514	49.1
57.07072	7.1
59.04988	5.7
64.49525	1.2
66.22673	1.4
67.05504	17.4
67.26236	1.3
69.07071	52.5
71.02219	2.3
71.05002	18.0
71.08627	2.0
78.93013	1.3
79.05495	16.8
81.07062	63.6
83.04965	8.6
83.08624	19.3
85.06546	5.1
85.10182	1.6
90.02657	1.5
91.05487	10.1
93.07051	34.4
95.04945	3.6
95.08611	57.0
97.06555	7.8
97.10177	65.5
99.04477	1.5
99.08131	3.5
105.07033	20.8
107.08600	39.6
108.95083	1.5
109.06522	5.2
109.10163	33.6
111.08087	2.3
113.09620	1.4
117.07024	2.0
119.08572	13.1
121.06498	3.2
121.10152	74.9
123.08051	4.9
123.11708	29.7
125.09627	5.9
131.08562	10.6
133.10114	4.3
135.08066	5.4
135.11700	19.8
137.09636	3.9
137.13274	13.5
139.11192	4.4
141.12723	3.9
141.27089	1.3
145.10130	15.4
147.11696	31.7
147.15761	1.5
149.02342	1.4
149.09628	8.1
149.13269	15.6
153.09100	6.1
153.12740	16.1
159.11719	2.5
161.13214	3.0
163.11147	6.9
163.14871	7.8
165.12761	16.3
167.10693	6.5
177.12866	2.1
177.16373	14.4
178.90622	1.4
181.10141	3.5
187.14870	12.0
192.07822	2.5
205.12334	1.9
205.15903	36.6
205.19556	9.2
223.06013	3.7
223.14973	4.4
223.16948	100.0
223.20419	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
50.69566	2.3
53.00305	2.6
55.05513	14.2
57.03429	3.3
57.07055	4.6
59.05000	2.5
67.05171	3.1
67.05503	35.7
69.03426	6.5
69.07072	27.3
71.04996	98.5
71.36916	5.5
72.38139	2.2
79.05502	18.6
81.06581	3.0
81.07059	47.7
82.07392	3.0
83.04974	6.9
83.08610	6.7
85.06544	5.3
89.06015	9.4
89.59017	2.2
91.05486	18.3
93.06474	3.2
93.07053	57.1
95.04980	18.0
95.08608	45.3
96.08948	3.8
97.06538	24.6
97.10147	3.8
99.03939	2.8
99.04457	37.3
99.08105	13.6
105.07040	22.1
107.07873	5.2
107.08600	100.0
109.06501	7.7
109.10158	36.7
111.08092	14.7
119.08605	29.6
121.06487	7.8
121.09338	2.9
121.10149	29.3
123.08054	15.8
123.11691	6.9
125.08765	4.4
125.09638	79.3
131.08557	7.0
133.10138	32.3
135.08037	6.9
135.10692	3.3
135.11697	44.4
137.05954	2.7
137.09624	75.0
137.13202	3.9
145.10127	28.9
147.11699	22.5
149.02341	5.8
149.09630	14.0
149.13272	6.9
151.11176	5.0
153.09132	13.1
153.12756	3.3
159.11632	3.9
161.13287	6.0
163.11195	31.2
163.14790	7.4
165.07016	3.3
165.12808	21.0
177.12683	6.2
177.16418	12.8
181.10039	4.3
187.14842	23.9
192.07751	3.3
193.10130	3.7
195.11765	5.5
205.15898	88.3
205.17953	4.2
205.18674	3.8
223.06046	7.6
223.11128	6.8
223.13220	6.2
223.14861	10.9
223.16908	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.05509	16.5
57.07069	4.6
59.04990	4.8
65.03916	3.7
67.05509	42.7
69.03422	5.3
69.06763	3.2
69.07071	33.4
71.04997	86.9
71.18605	5.7
79.05496	19.9
81.07062	63.0
83.04970	14.0
83.08624	6.9
85.06555	5.8
89.06017	13.7
89.19114	2.9
91.05484	12.6
93.07052	64.9
95.04973	9.3
95.08058	3.8
95.08613	49.2
97.06541	29.0
97.10174	7.3
99.08074	9.8
105.07037	22.7
107.04923	3.6
107.08604	100.0
109.06522	9.5
109.10162	57.0
111.08088	8.0
117.06975	3.5
119.08588	26.2
121.06481	6.0
121.10136	26.1
123.08071	5.0
123.11686	13.8
125.08741	6.2
125.09629	81.0
131.08572	8.5
133.10139	33.0
135.08055	4.5
135.11685	54.5
137.09630	91.8
137.13263	3.7
145.10149	19.9
147.11725	10.8
149.02356	8.1
149.09637	14.8
149.13254	12.9
151.11137	3.0
153.12701	4.1
163.11174	31.0
163.14832	4.8
177.16359	12.3
180.09283	3.3
181.10143	5.2
187.14862	22.4
192.07779	5.2
193.10075	6.3
195.11800	3.7
201.45905	2.7
205.15886	83.2
208.08818	3.2
208.12596	3.8
223.05849	5.2
223.11305	5.0
223.13197	7.9
223.14899	12.9
223.16901	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03945	1.8
55.01877	1.7
55.05519	9.1
57.07067	5.4
59.04988	5.3
65.03959	1.6
65.25838	1.5
67.05511	11.2
67.05810	2.3
69.03445	1.9
69.07070	41.4
70.17908	6.5
71.04994	22.2
72.10649	1.5
79.05488	14.0
81.03416	1.8
81.07069	53.4
82.07378	1.6
82.52898	1.2
83.04971	5.9
83.08640	7.1
85.06554	3.4
91.05473	10.4
93.07050	29.0
93.59120	1.4
95.04964	4.6
95.08613	48.5
96.47689	1.8
97.06551	7.4
97.10150	2.7
97.20591	1.3
99.04449	3.5
99.08088	3.2
105.06377	2.3
105.07036	26.7
107.05005	2.2
107.08604	40.0
108.08945	2.3
109.06584	7.1
109.07183	1.3
109.10162	19.3
110.10506	1.7
111.08076	2.4
113.09707	2.3
115.78720	1.5
117.07016	4.2
119.08582	24.8
121.06503	4.4
121.09325	3.0
121.10151	39.1
123.08061	6.5
123.11695	8.6
125.09633	4.6
126.01089	1.8
131.08588	8.9
133.10109	6.5
135.08037	6.2
135.11696	12.0
137.09569	5.4
137.13251	14.0
139.11154	2.3
145.10143	20.6
147.11694	35.6
149.02315	5.3
149.09651	12.4
149.13251	4.8
151.11140	1.8
153.09105	4.8
153.12721	6.5
157.10237	1.7
159.11717	4.6
161.13263	20.9
163.11203	17.4
163.14833	24.5
165.06993	1.7
165.12787	19.9
167.08549	1.8
167.10660	5.7
177.05463	2.6
177.12743	4.5
177.16382	14.5
179.08511	2.6
180.09294	2.5
181.10161	4.1
186.31081	1.4
187.14816	16.0
192.07892	3.3
193.10161	3.1
195.11801	3.1
205.12288	2.5
205.15901	56.2
223.05960	4.4
223.11121	5.7
223.13211	3.8
223.14915	8.9
223.16919	100.0
225.04222	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
51.02372	1.7
53.03931	2.9
54.39159	1.7
55.01874	6.9
55.05510	15.1
57.07071	6.1
60.46423	1.8
65.03943	2.5
67.05172	2.7
67.05508	33.8
69.03424	2.9
69.07067	25.8
69.28257	14.6
69.28675	4.5
71.04989	14.1
73.72620	2.0
79.05499	29.0
81.03425	5.9
81.06577	3.6
81.07057	49.0
82.07384	1.9
83.04986	89.9
83.08604	5.9
85.02893	3.5
85.06542	5.6
85.69973	2.0
91.05490	23.5
93.07043	35.6
95.04974	12.5
95.08612	36.0
97.02914	2.1
97.06540	39.2
98.21539	3.0
99.04458	35.1
105.07034	26.5
107.04951	14.1
107.07864	3.2
107.08600	65.1
109.06536	26.6
109.09457	3.8
109.10162	49.0
110.10478	3.2
111.04459	2.8
111.08098	4.4
116.06333	1.8
117.07020	11.5
119.08576	22.3
121.06496	12.6
121.10146	36.7
123.08079	21.0
123.11713	24.0
125.05979	2.6
125.09629	4.4
129.07005	2.8
130.07690	2.0
131.08575	30.4
133.10147	10.3
135.04442	2.9
135.08070	22.1
135.11720	11.9
137.09590	7.6
137.13287	2.3
139.07536	4.2
143.08604	4.3
144.09293	2.3
145.10127	51.5
147.08067	2.1
147.11693	18.6
148.08896	2.0
149.02354	5.4
149.05945	4.1
149.09625	36.6
149.13232	5.4
153.09097	3.3
159.11696	14.0
161.09692	2.3
161.13281	8.8
162.10391	5.0
163.11168	15.0
163.14815	21.2
165.05676	2.5
165.07014	4.0
165.12743	31.5
167.10715	6.7
177.05417	5.7
177.12799	13.7
177.16400	6.8
179.08617	2.6
180.10896	2.5
181.10100	4.5
181.12296	2.6
187.11243	2.4
187.14825	39.4
192.07732	11.2
193.10104	4.6
195.08168	3.3
205.12250	8.1
205.15895	100.0
208.12439	2.5
223.05746	9.3
223.09573	4.8
223.11302	3.5
223.13026	13.7
223.14952	8.4
223.16887	55.1
223.20274	2.6
225.04356	5.6
227.02280	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0967
Annotation	Diethyl phthalate
Peak:m/z	Relative Intensity
50.15848	0.4
52.29830	0.4
55.01871	1.0
69.03445	0.4
69.38612	3.7
74.87713	0.4
75.45316	0.4
79.05490	1.2
83.92563	0.4
85.02904	0.7
89.03936	0.5
91.05500	2.6
93.07051	1.0
95.04960	0.6
98.21544	1.0
99.22916	0.4
100.29695	0.4
103.05473	1.8
105.07047	1.9
107.04971	1.7
107.08627	0.8
109.06557	0.7
115.05469	0.5
119.04939	1.6
119.08516	0.6
120.05710	0.6
121.02841	0.4
121.06518	4.8
123.40010	0.4
131.04929	1.8
132.05710	0.6
133.02873	0.8
133.06532	2.3
134.03633	1.0
134.07298	1.2
135.04414	1.3
135.08105	2.1
136.05135	0.6
137.05968	2.5
145.06516	0.6
147.04407	2.0
148.05183	1.8
149.05986	10.8
150.06729	0.7
151.07526	1.4
152.04665	0.5
159.04449	0.8
160.05209	1.6
161.05994	2.9
161.09218	1.3
162.03157	1.3
162.06703	2.9
163.03911	0.9
163.07550	3.0
163.11139	0.6
164.08360	1.9
165.05501	6.9
165.09076	1.7
166.06244	1.3
166.09447	0.8
175.03737	0.5
175.07556	0.4
176.04736	1.2
177.05484	50.6
177.08757	1.5
178.06075	1.1
179.07062	4.5
179.10530	1.1
180.07803	5.3
180.11008	3.6
181.08627	1.1
184.03633	0.5
189.05452	0.6
190.02696	0.6
190.06281	5.7
191.07042	6.5
191.10548	0.7
192.07826	100.0
192.10841	2.7
193.04984	6.2
193.08490	2.9
194.09424	0.4
194.12570	1.4
195.10173	4.3
205.12288	0.8
207.06427	0.7
208.03789	0.6
208.07312	5.7
223.06090	3.1
223.09666	46.9
223.15263	8.6
224.09937	0.6
225.04312	0.8
244.07817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0814
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
53.03925	2.9
55.01875	8.2
55.05514	5.5
57.03432	12.5
61.02926	6.7
67.05503	6.4
69.03434	53.6
71.01353	5.9
71.04981	6.7
71.35732	3.1
73.02933	14.3
75.21089	2.6
81.02983	3.6
81.03429	28.8
83.04987	16.6
85.02907	64.9
87.04482	4.8
93.03410	4.1
95.04963	13.9
97.02898	100.0
98.97594	5.7
99.04449	11.8
101.02375	4.5
102.00950	3.3
103.03944	6.7
109.02878	29.1
111.04457	26.3
115.03952	9.6
117.15671	2.6
119.01945	6.0
121.01678	5.4
121.06533	2.8
123.04444	8.6
123.52912	3.0
127.03923	43.5
134.02713	3.0
139.03926	11.7
141.05478	8.1
142.04825	4.6
143.01877	4.2
145.03502	2.8
146.03549	4.2
149.02365	3.4
151.03920	5.3
157.03777	4.1
157.04933	20.4
161.03026	2.8
162.03085	3.3
168.54562	3.0
169.05055	14.3
174.02988	3.0
175.02731	3.4
175.06186	2.9
177.05568	3.8
178.08679	3.4
187.05984	12.8
192.07835	10.5
214.21504	2.9
223.13177	3.8
225.04279	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	223.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15848	0.4
52.29830	0.4
55.01871	1.0
69.03445	0.4
69.38612	3.7
74.87713	0.4
75.45316	0.4
79.05490	1.2
83.92563	0.4
85.02904	0.7
89.03936	0.5
91.05500	2.6
93.07051	1.0
95.04960	0.6
98.21544	1.0
99.22916	0.4
100.29695	0.4
103.05473	1.8
105.07047	1.9
107.04971	1.7
107.08627	0.8
109.06557	0.7
115.05469	0.5
119.04939	1.6
119.08516	0.6
120.05710	0.6
121.02841	0.4
121.06518	4.8
123.40010	0.4
131.04929	1.8
132.05710	0.6
133.02873	0.8
133.06532	2.3
134.03633	1.0
134.07298	1.2
135.04414	1.3
135.08105	2.1
136.05135	0.6
137.05968	2.5
145.06516	0.6
147.04407	2.0
148.05183	1.8
149.05986	10.8
150.06729	0.7
151.07526	1.4
152.04665	0.5
159.04449	0.8
160.05209	1.6
161.05994	2.9
161.09218	1.3
162.03157	1.3
162.06703	2.9
163.03911	0.9
163.07550	3.0
163.11139	0.6
164.08360	1.9
165.05501	6.9
165.09076	1.7
166.06244	1.3
166.09447	0.8
175.03737	0.5
175.07556	0.4
176.04736	1.2
177.05484	50.6
177.08757	1.5
178.06075	1.1
179.07062	4.5
179.10530	1.1
180.07803	5.3
180.11008	3.6
181.08627	1.1
184.03633	0.5
189.05452	0.6
190.02696	0.6
190.06281	5.7
191.07042	6.5
191.10548	0.7
192.07826	100.0
192.10841	2.7
193.04984	6.2
193.08490	2.9
194.09424	0.4
194.12570	1.4
195.10173	4.3
205.12288	0.8
207.06427	0.7
208.03789	0.6
208.07312	5.7
223.06090	3.1
223.09666	46.9
223.15263	8.6
224.09937	0.6
225.04312	0.8
244.07817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
51.35341	0.4
53.03932	0.6
55.01852	0.7
55.05490	0.5
55.19979	0.4
65.03931	0.5
67.05490	0.7
69.07059	0.5
71.16888	0.7
73.08118	0.3
78.04718	2.9
79.05499	2.1
81.03391	0.5
81.07051	0.8
82.68858	0.5
83.04955	0.5
83.08600	0.5
85.02853	0.4
91.05460	1.4
93.07033	1.5
94.04272	0.4
95.04945	1.2
95.08590	0.9
97.02869	0.5
97.06537	0.6
105.03400	1.0
105.07025	1.1
106.04172	1.8
107.04964	16.7
107.08564	1.6
109.06519	0.4
109.10126	0.6
117.07024	0.4
118.04163	0.6
119.02623	0.4
119.04945	0.4
119.08553	0.6
121.02824	0.5
121.06521	1.2
121.10130	1.0
122.03595	0.4
122.88341	0.4
123.04414	0.5
123.08061	0.4
125.09672	0.4
133.02794	0.6
133.06517	0.6
133.10120	0.7
134.03638	4.2
135.04436	5.1
135.08014	0.7
135.11676	0.4
139.07547	0.4
145.03951	1.1
145.06491	0.5
145.10118	0.6
149.02298	1.3
149.06021	0.7
149.09602	0.4
150.03087	0.5
151.03806	0.5
151.80646	0.4
152.06236	0.6
157.43158	0.4
161.02460	0.4
162.03123	22.1
163.03929	10.2
163.07570	0.6
163.11169	1.0
165.05470	1.3
165.06998	1.3
166.07370	1.2
167.07085	1.0
167.08449	0.8
176.06123	0.5
177.05437	3.6
177.06892	1.0
177.12740	0.8
178.02762	0.6
179.03410	5.3
179.07050	0.9
180.04146	1.6
180.07796	1.4
181.06635	0.5
181.08743	0.6
181.12221	0.5
190.02626	25.8
191.03178	0.8
192.07826	7.5
193.01360	2.4
194.02135	2.5
195.07854	2.6
195.10121	1.3
205.01242	0.7
205.06525	0.6
205.12332	0.6
205.15862	0.5
207.02907	11.0
208.03667	15.1
223.05992	100.0
223.09593	2.8
224.06302	1.7
225.04312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03939	0.6
55.05497	0.4
57.26228	0.3
59.04966	0.3
62.06511	0.2
67.05511	0.4
67.71306	0.3
69.03412	0.8
69.07057	0.5
70.82531	0.3
70.82890	0.7
71.44396	0.3
77.83064	0.3
78.04714	2.4
79.05506	1.9
81.03423	0.4
83.05002	0.5
85.02913	0.5
89.03913	0.4
91.05474	1.7
93.07033	0.7
95.04967	1.1
95.08595	0.4
97.02878	1.0
98.97586	0.4
105.03387	0.7
105.07000	0.6
106.04184	1.9
107.04961	17.4
107.08590	0.9
117.07046	0.5
118.04134	0.4
119.08578	0.4
121.06507	0.9
121.10159	0.4
123.04430	0.5
123.08012	0.4
127.03916	0.4
133.02879	0.8
133.06535	0.3
133.10132	0.4
134.03648	5.6
135.04420	5.5
135.08055	0.7
135.11748	0.3
137.02303	0.4
137.09639	0.4
139.07570	0.4
144.02049	0.4
145.02869	0.5
145.03973	1.3
145.10141	0.3
147.04370	0.3
149.02327	1.2
149.09653	0.4
152.04590	0.4
159.11696	0.8
161.02354	0.7
161.09207	0.6
162.03139	21.8
163.03925	9.8
163.07581	0.4
163.11157	0.7
164.04521	0.3
165.01863	0.8
165.09024	0.6
166.07365	0.3
167.07115	1.4
168.74402	0.3
177.05434	0.6
177.12651	0.4
178.02623	0.6
178.06064	0.3
179.03394	5.8
179.06914	0.4
180.04199	1.9
180.11038	1.5
190.02628	24.6
191.03317	1.1
192.07915	0.4
192.11035	1.2
193.01349	2.0
194.02167	2.0
195.06522	1.4
195.08147	0.4
195.10104	0.3
205.12260	0.5
207.02907	10.2
208.03685	15.3
223.06021	100.0
223.15231	3.4
224.06429	1.5
225.04332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01619	4.8
53.03915	5.4
55.01877	16.2
55.05502	13.9
56.96573	45.0
57.03433	10.1
60.31160	4.5
61.02925	10.5
61.70002	4.3
67.05507	12.3
69.03431	54.1
69.91425	23.1
70.06588	7.4
71.04993	13.6
73.02914	14.0
74.64797	4.3
79.05494	11.3
79.65263	4.5
81.03422	26.5
81.07043	10.1
83.04974	21.6
84.08154	7.0
84.96027	5.2
85.02910	55.5
85.06574	4.6
87.04460	6.5
87.35123	5.3
90.36776	5.1
91.05486	17.3
93.07064	15.9
95.04961	26.6
95.08588	13.5
97.02889	94.1
98.21427	6.4
98.97589	100.0
99.04456	14.8
103.03944	7.5
103.05473	17.8
105.07044	14.6
107.04956	20.2
107.08611	13.0
109.02882	20.6
109.06504	9.6
109.10156	7.2
110.97564	10.4
111.04448	35.5
111.08105	4.9
115.03935	9.2
116.98624	58.5
117.05503	6.9
119.08638	7.1
120.05740	5.2
121.02893	6.3
121.06507	42.1
121.10168	7.8
123.04436	23.3
125.09632	5.4
127.03893	27.6
128.98593	14.6
129.05432	5.4
131.04913	16.1
134.99654	17.3
135.08058	7.0
137.05962	10.6
139.03943	5.1
139.07584	5.2
141.05476	12.4
145.04903	6.1
145.06535	9.6
146.99666	9.6
147.04478	7.0
149.02333	33.5
149.05991	50.4
151.03922	5.3
157.04997	10.4
158.99664	36.1
159.06566	10.1
159.11707	9.5
161.01135	6.0
161.06006	5.6
162.01320	7.4
162.03197	5.8
163.03891	8.0
163.07657	7.8
165.09158	10.3
167.07059	74.7
169.05016	13.8
177.00726	41.2
177.05438	61.9
177.09035	7.7
177.12717	5.8
178.06009	7.9
178.08728	9.0
181.04938	5.8
181.12163	4.9
187.06030	8.1
191.07149	7.5
192.07808	43.5
195.06265	5.8
196.03566	6.0
201.00778	5.4
205.06984	6.8
209.01196	9.5
209.08154	14.0
214.05078	5.9
219.01779	11.2
223.04004	10.2
223.05954	36.3
223.09607	14.2
223.11383	11.3
223.13387	13.8
223.16975	14.6
223.55232	6.1
224.09363	5.2
224.12860	17.4
225.04286	75.2
227.02240	23.6
232.06032	13.1
237.02814	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	222.1488
Annotation	(R)-(+)-Carnegine
Peak:m/z	Relative Intensity
51.20058	0.6
55.22074	0.6
69.62010	3.1
69.62408	1.1
73.98161	0.5
79.74905	0.6
83.40577	0.7
91.05494	1.5
98.20837	1.2
105.07021	0.9
117.07006	1.2
121.06497	1.9
133.06528	0.9
134.07260	1.1
135.04453	0.8
135.08066	0.9
144.05640	0.8
145.06467	2.3
147.08047	1.5
148.08804	0.9
149.05960	1.5
150.06726	1.3
151.07591	1.4
151.61333	0.7
159.08070	1.9
160.08842	11.5
161.05998	1.5
161.08353	1.5
163.07536	2.3
164.08357	6.3
165.09109	9.1
176.08299	5.8
178.08574	1.0
178.09958	4.8
179.10674	46.9
180.10971	1.1
189.68593	0.8
190.12296	1.2
191.10684	26.6
192.07855	1.0
193.10670	0.8
193.12260	12.1
205.12306	2.0
207.12535	1.1
222.14893	100.0
223.15277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.05499	1.0
53.03938	2.2
55.05516	12.1
57.07067	4.6
59.05005	2.9
67.05515	22.2
69.07072	22.2
70.38522	2.8
71.04993	3.9
79.05501	17.3
81.07066	92.8
82.91485	1.2
83.08612	5.7
85.06555	1.6
91.05490	10.2
93.06556	2.0
93.07064	25.1
95.04989	2.0
95.08620	100.0
97.06529	7.7
97.10185	4.7
99.08097	2.3
105.07047	36.4
107.08607	52.7
109.06516	2.7
109.10172	51.5
109.10922	2.5
111.08051	1.7
111.11702	2.6
117.07087	2.0
119.08597	54.3
121.10159	21.0
123.08054	2.4
123.11726	25.0
125.96310	1.2
127.11171	1.3
133.10143	25.8
135.11710	20.6
137.09602	2.6
137.13255	4.0
139.11180	3.5
145.10152	2.2
147.11699	40.0
148.12024	1.6
149.13297	4.2
151.11118	2.7
161.13298	10.4
163.14857	9.3
165.12813	4.3
175.14827	3.8
177.16386	2.5
179.14293	1.2
196.00905	1.2
203.17976	53.9
221.15471	3.1
221.19034	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1127
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.05035	1.1
56.96553	0.5
60.04531	2.5
61.47491	0.4
67.05492	0.9
71.04967	0.6
71.54623	0.4
71.55077	0.5
76.12223	0.5
77.03942	0.7
79.05502	0.8
79.46333	0.3
81.03455	0.4
81.07069	0.5
82.06603	0.4
84.04530	0.4
84.08149	0.5
87.04485	0.7
88.40557	0.4
91.05479	2.8
93.07069	0.8
95.04984	1.1
97.02942	0.9
97.75274	0.4
103.05479	30.7
105.07053	1.9
106.07362	0.4
107.04981	1.0
111.08064	0.5
115.05464	0.6
117.07053	1.5
119.08617	1.4
120.08115	1.0
121.06509	2.5
121.10132	0.5
123.08063	0.4
129.07021	0.7
130.06557	2.5
131.04942	64.6
132.05331	0.5
133.06505	1.0
135.04480	0.5
135.08084	1.2
136.11255	0.7
137.05994	9.3
138.05449	0.6
143.04959	0.8
144.05756	0.4
144.08119	0.4
145.06494	2.4
146.06007	0.7
147.04352	0.5
147.06967	0.5
147.08063	1.9
147.25722	0.4
148.05119	0.4
148.07573	4.8
148.08711	0.6
148.21748	0.4
149.05998	2.0
150.06715	1.0
150.09157	0.8
151.03970	0.4
151.07549	1.5
158.06003	1.3
159.06628	0.4
159.08101	1.9
160.07596	0.8
160.08849	10.6
161.06079	1.9
161.08379	7.6
161.09592	0.8
162.05545	1.2
162.06735	0.5
162.09178	1.2
163.07564	38.6
164.08339	5.7
165.09134	7.4
168.31081	0.4
174.10413	0.7
175.07565	0.9
176.07083	10.9
176.08403	5.3
176.10623	0.5
177.05463	2.8
177.09163	1.6
178.08612	1.5
178.09946	3.7
179.10692	32.1
180.10176	4.3
188.10846	0.4
189.07858	7.3
190.08647	7.7
190.12366	1.2
191.10703	18.8
192.07863	5.8
193.10686	0.6
193.12288	8.8
194.12035	0.4
204.10226	3.6
204.13884	0.7
205.12303	1.0
206.08173	1.3
207.02989	0.4
207.08926	11.0
207.12355	0.4
222.07706	4.1
222.11305	100.0
222.14838	61.6
223.06065	0.5
223.09718	2.5
223.11591	0.8
223.15254	0.5
238.67326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03940	2.1
55.05511	11.5
57.07054	3.1
65.03923	1.5
65.48717	1.5
67.05508	21.6
69.07079	18.1
70.70414	2.9
71.04989	4.8
79.05502	19.9
81.07062	90.6
83.08613	5.5
88.64542	1.5
91.05489	8.3
93.07050	20.3
95.08615	100.0
97.06546	7.2
97.10159	5.0
99.08096	2.6
105.06385	2.8
105.07044	32.4
107.08602	42.8
109.06535	2.0
109.10167	45.5
111.11723	2.4
113.09598	1.8
119.08596	47.9
121.10146	19.0
123.11720	22.2
133.10146	22.5
135.11708	20.6
137.09616	1.6
137.13254	5.0
139.11157	3.5
141.12823	1.8
147.11703	41.0
149.13251	3.8
151.11182	1.7
160.12491	1.5
161.13255	11.1
163.14787	8.3
165.12764	2.4
175.14864	2.6
177.16479	1.9
189.53084	1.4
193.19568	2.4
199.02820	1.4
203.17961	54.3
221.19025	76.4
235.79735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05510	15.2
57.07076	18.6
59.04998	1.7
67.05508	19.6
69.03461	1.6
69.07076	12.6
70.26602	2.9
70.26991	3.1
70.46728	1.7
71.05008	2.9
76.97989	1.4
79.05513	15.2
81.07066	38.6
83.04986	3.7
83.08615	7.2
85.06538	11.0
91.05482	16.8
93.07044	29.2
95.04948	4.3
95.08609	45.9
97.06516	3.4
97.10191	3.4
105.07037	65.0
107.07872	2.4
107.08598	49.5
109.06508	7.2
109.10164	37.6
111.08081	6.4
117.07008	2.4
119.08591	51.1
121.09315	2.8
121.10151	35.3
123.08074	11.4
123.11710	17.1
125.09641	4.9
127.07567	3.8
131.08566	1.8
133.10141	25.5
135.08041	2.0
135.11694	12.2
137.09607	10.8
137.13242	2.7
139.11237	2.3
142.07571	2.2
145.10141	6.7
147.11693	100.0
149.13269	9.9
151.11182	17.5
152.22975	1.7
154.85005	1.7
159.11696	1.6
160.12468	2.1
161.13280	23.6
163.11124	2.9
163.14862	18.0
165.06990	3.4
165.09134	3.8
165.12775	15.5
175.07637	2.0
175.14842	5.3
177.09171	10.2
177.16417	5.0
203.10762	1.6
203.17972	86.0
221.06049	4.8
221.15425	5.4
221.19025	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.56792	1.6
54.72782	1.4
55.05518	11.1
57.07069	5.0
59.04995	3.9
67.05507	13.8
69.07072	32.6
71.01412	3.5
71.05000	20.5
79.05491	16.6
81.06581	2.5
81.07063	44.5
83.04953	1.8
83.08624	6.3
85.06547	4.7
90.22968	1.7
91.05460	9.0
92.95908	1.4
93.07052	25.3
95.08611	59.4
97.06500	1.7
97.10194	2.9
99.08063	1.7
105.07035	46.9
107.08603	56.3
109.06538	2.6
109.10170	30.0
111.08087	2.7
111.11731	24.0
119.08592	33.9
121.10156	24.7
123.11708	15.4
125.09612	2.8
133.09227	3.1
133.10130	28.1
135.11716	10.9
137.08127	1.8
137.09674	2.3
137.13306	4.3
139.11185	1.9
145.10130	2.0
147.10504	3.2
147.11693	52.3
149.13206	3.7
161.13266	27.8
163.14827	38.2
163.16118	3.2
165.12749	2.3
175.14838	14.1
177.16402	10.5
196.90965	1.6
203.17969	100.0
221.15529	4.0
221.19025	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
55.05518	14.7
55.35996	1.7
57.07079	3.8
59.04975	1.7
62.07362	1.7
63.74759	2.0
67.05171	2.3
67.05508	30.2
69.06721	3.0
69.07071	40.6
70.61131	3.6
71.04992	3.7
79.05493	11.1
81.07061	90.3
82.36411	1.6
83.08628	14.2
91.05468	7.2
93.07044	17.2
95.08611	91.5
97.06522	6.5
97.10197	10.5
105.07041	21.4
107.08595	33.0
109.10159	100.0
111.08069	2.2
111.11728	20.2
113.09635	2.5
117.07035	2.4
119.08587	33.4
121.10159	13.1
123.08085	2.0
123.11719	34.8
125.09621	3.0
133.10130	20.7
135.11707	14.7
136.37267	1.8
137.13255	11.9
139.11197	5.7
147.11688	32.0
149.13280	5.8
151.11151	3.3
153.12772	2.9
161.13257	10.9
163.14847	6.4
165.12718	8.7
166.02429	1.6
175.14897	2.3
193.19604	5.7
203.17972	49.1
221.19026	99.6
238.26704	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.74440	1.6
52.96766	1.9
55.05515	12.5
57.03460	2.1
57.07081	4.7
59.04996	2.0
67.05515	23.2
69.07076	13.0
71.04997	4.7
71.22315	2.7
79.05512	10.5
81.07071	37.2
83.04978	2.1
83.08626	9.4
85.06543	3.8
88.43407	1.8
91.05476	12.5
93.07062	22.2
95.08620	52.6
97.06535	3.4
97.10180	2.4
99.08124	2.2
99.47500	1.8
103.22648	1.7
105.07041	47.4
107.08606	40.1
109.06553	2.6
109.10172	78.9
111.08100	3.7
113.09646	4.1
119.08595	39.9
121.10153	30.1
123.08078	5.1
123.11720	23.5
125.09620	6.2
131.08569	2.7
133.10147	31.7
135.08011	3.0
135.11722	12.2
137.09644	2.3
137.13272	2.8
147.11703	53.9
149.13269	18.7
151.11220	10.0
159.11775	1.9
161.13278	24.4
163.14857	12.6
165.12766	6.3
175.14868	5.9
177.16447	5.5
185.97401	1.9
203.17986	100.0
221.15440	5.6
221.19035	85.3
234.67203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.42129	2.0
55.05515	23.8
57.07065	7.2
59.05003	2.3
59.29089	2.2
62.76194	1.6
63.45401	1.6
67.05515	33.1
69.07072	16.6
71.04977	4.5
71.08208	3.9
79.05511	13.6
81.07067	37.7
82.77340	1.9
83.08623	19.1
85.06548	4.7
91.05479	13.6
93.07043	23.3
95.04971	5.0
95.08615	63.0
97.06552	3.4
97.10131	2.3
98.50213	1.7
99.08129	2.0
105.07037	44.9
107.08598	37.2
109.06556	4.5
109.10165	100.0
111.08086	5.9
113.09615	4.6
117.07065	2.5
119.08595	36.7
121.10169	28.5
123.08070	6.1
123.11729	20.8
125.09628	4.5
131.08632	2.5
133.10144	33.0
135.11723	11.5
145.10136	4.9
147.08102	2.0
147.11699	43.8
149.13266	23.5
151.11191	13.2
159.11703	2.1
161.13289	22.7
161.72252	2.0
163.14838	10.9
165.12766	8.0
175.14833	9.0
177.16417	5.3
179.10687	2.0
185.13252	1.8
198.89709	1.9
203.17967	98.0
221.13455	2.4
221.15718	8.8
221.19029	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01856	2.2
55.05506	11.0
57.07067	7.9
57.34836	1.7
67.05499	15.8
69.07070	22.8
70.33160	7.9
71.04991	15.1
74.33711	1.9
79.05502	19.6
81.07058	49.9
83.08614	5.7
85.06525	5.8
86.66196	2.0
91.05487	17.9
93.07047	38.0
95.04957	2.1
95.08611	53.7
96.36074	1.7
97.06521	7.3
97.10175	3.3
98.20796	2.5
99.08080	3.5
100.82813	2.3
105.07037	56.8
107.08599	86.3
109.06553	3.5
109.10159	33.8
111.08092	5.7
113.09650	1.8
117.06992	3.6
119.07710	2.5
119.08583	52.8
121.10158	34.2
123.08081	8.3
123.11723	16.8
131.08583	2.2
133.10136	33.0
135.08066	2.8
135.11676	32.0
137.09633	4.9
137.13345	1.8
145.10123	4.9
147.11690	67.9
149.13277	13.5
151.11180	7.1
157.10132	2.8
159.11679	4.0
161.05960	2.3
161.09558	2.6
161.13258	26.2
163.14813	32.6
165.12738	7.6
175.14825	10.4
176.12773	1.8
177.09140	2.4
177.16429	8.8
185.13313	2.6
193.08516	1.9
203.14375	13.9
203.17970	100.0
217.67294	2.1
221.15662	15.5
221.19014	72.9
223.83546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03959	2.4
54.93272	1.9
55.05513	17.5
57.03848	2.4
57.07074	8.5
57.30259	2.2
59.04992	3.8
67.05508	28.2
69.07072	23.2
71.00955	2.8
71.01285	3.7
71.04977	3.8
79.05498	16.1
81.07059	62.1
83.05018	3.0
83.08610	6.0
85.06541	5.0
89.37815	2.3
91.05470	15.8
91.19241	2.1
93.07049	37.1
95.08610	72.0
97.06528	9.1
97.10162	5.5
97.23863	2.2
99.08089	3.6
105.06384	3.9
105.07041	50.9
107.08604	54.1
108.69666	2.2
109.06540	4.6
109.09460	3.9
109.10165	52.0
111.08108	11.4
119.08593	47.5
119.09449	2.2
121.10141	27.5
123.08047	6.5
123.11730	25.8
125.09631	7.2
133.09137	3.0
133.10133	38.4
135.11728	12.1
137.09634	5.1
147.11700	53.2
149.13239	14.0
151.11194	6.1
157.10210	2.3
159.11705	3.0
161.13281	33.3
163.14821	18.3
165.12782	8.5
175.14911	10.6
177.16342	4.9
203.17969	100.0
221.15533	3.2
221.19025	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
53.03936	2.1
55.01874	1.2
55.05311	0.7
55.05519	9.9
57.03429	1.0
57.07070	5.6
59.05001	3.7
66.19271	0.8
67.05174	1.0
67.05512	19.6
69.03433	1.5
69.07070	12.5
69.07417	1.5
71.05009	3.7
71.08624	2.2
71.12093	1.0
71.12417	1.1
73.06553	1.8
79.05501	11.2
81.07063	40.8
83.04984	1.4
83.08627	7.6
85.06534	2.3
85.30354	0.7
87.08106	1.0
91.05479	9.6
93.06470	1.2
93.07053	20.0
95.04980	1.6
95.08611	54.1
97.06528	2.1
97.10197	3.9
99.08073	2.3
102.70227	0.7
105.07038	33.6
107.08600	30.1
109.06532	6.8
109.10165	38.9
111.08096	2.2
113.09606	1.5
119.08591	35.9
121.06490	0.8
121.09318	1.3
121.10155	25.0
121.11029	1.2
123.08076	7.3
123.11724	17.6
125.09647	9.6
127.07555	2.7
131.08565	1.9
133.10143	28.3
135.11705	22.9
137.08659	1.3
137.09634	20.0
137.13277	2.1
139.11179	3.1
145.10112	1.9
147.11699	36.5
149.13255	9.5
151.11192	24.6
159.11568	0.8
160.12489	1.7
161.13271	17.3
163.14853	14.6
165.12761	16.0
175.11238	0.8
175.14833	3.6
177.16418	9.4
179.14326	2.0
191.35515	0.9
193.19551	0.9
203.10750	1.5
203.17969	67.3
221.15425	2.9
221.19022	100.0
222.19356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
55.05519	13.3
57.07063	4.1
58.30915	1.2
59.04964	1.4
67.05186	1.6
67.05506	24.2
69.07069	36.6
70.44708	2.3
70.45111	2.5
71.04981	3.2
76.51331	1.4
79.05493	8.4
80.16051	1.5
81.07060	62.9
83.08627	12.0
85.06538	3.1
91.05507	6.2
93.07050	12.2
95.04948	2.0
95.08610	67.6
97.06529	1.9
97.10175	10.1
105.07052	14.0
107.08600	16.8
109.10164	89.7
111.08072	2.6
111.11725	24.1
119.08591	22.5
121.10156	12.8
123.11720	30.1
125.09624	3.1
133.09393	1.3
133.10162	13.0
135.11708	11.2
137.13263	10.1
139.11189	5.0
145.10201	1.8
147.11696	20.4
149.13263	5.0
151.11159	2.2
153.12714	2.4
161.13255	7.9
163.14827	5.8
165.12744	8.2
175.14839	2.3
177.16479	1.9
193.19551	6.4
203.17964	35.7
221.15469	3.3
221.19023	100.0
228.79691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05510	5.4
56.45228	0.7
57.07037	1.9
59.04980	0.8
67.05509	9.4
69.07071	9.7
70.70153	1.5
70.70489	1.4
71.04997	15.1
71.08607	0.7
78.94452	0.7
79.05499	8.8
81.07057	26.4
83.08638	4.0
85.06521	1.7
91.05490	5.8
93.06498	0.7
93.07054	16.7
95.08613	48.8
97.10153	1.8
105.07036	23.7
107.08601	48.5
109.06526	1.0
109.10159	22.9
113.09653	0.9
119.08590	21.8
121.09333	1.2
121.10154	17.2
121.11017	1.1
123.11718	5.7
125.09605	2.3
131.08562	1.7
132.35844	0.7
133.10136	19.0
135.11707	6.6
137.13266	1.9
145.10136	1.3
147.11699	37.3
149.13205	1.8
151.11169	1.2
151.14822	1.5
159.11696	1.2
161.13274	13.7
163.14827	19.7
165.12793	1.8
175.14870	7.9
177.16393	6.5
203.17966	100.0
204.18359	1.1
221.15657	1.3
221.19023	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.88822	1.7
53.03946	2.2
55.05504	7.0
57.07081	4.6
60.63094	1.9
67.05512	21.8
67.14130	2.0
69.07069	16.5
70.01306	2.1
70.01639	8.8
71.04984	9.0
79.05499	15.8
81.07061	63.3
83.04984	2.7
83.08622	6.3
85.06566	3.0
89.88852	2.0
91.05485	19.5
93.07052	23.2
95.04951	2.1
95.08609	60.0
97.06544	7.2
105.07036	39.5
107.08603	58.5
109.06472	2.9
109.10163	53.0
111.08057	4.2
119.08601	29.9
121.10143	28.9
123.08039	2.9
123.11707	13.3
125.09659	2.2
133.10133	34.2
135.11702	10.3
137.09654	3.3
137.13211	2.8
147.11702	48.6
147.12804	4.2
149.13263	4.1
151.11197	3.9
161.13272	16.1
163.14835	17.4
163.16029	2.9
165.12814	4.4
175.14790	13.6
177.16405	7.9
202.32257	2.6
203.17964	100.0
217.03119	1.9
221.15674	3.3
221.19028	64.0
226.75377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88822	1.7
53.03946	2.2
55.05504	7.0
57.07081	4.6
60.63094	1.9
67.05512	21.8
67.14130	2.0
69.07069	16.5
70.01306	2.1
70.01639	8.8
71.04984	9.0
79.05499	15.8
81.07061	63.3
83.04984	2.7
83.08622	6.3
85.06566	3.0
89.88852	2.0
91.05485	19.5
93.07052	23.2
95.04951	2.1
95.08609	60.0
97.06544	7.2
105.07036	39.5
107.08603	58.5
109.06472	2.9
109.10163	53.0
111.08057	4.2
119.08601	29.9
121.10143	28.9
123.08039	2.9
123.11707	13.3
125.09659	2.2
133.10133	34.2
135.11702	10.3
137.09654	3.3
137.13211	2.8
147.11702	48.6
147.12804	4.2
149.13263	4.1
151.11197	3.9
161.13272	16.1
163.14835	17.4
163.16029	2.9
165.12814	4.4
175.14790	13.6
177.16405	7.9
202.32257	2.6
203.17964	100.0
217.03119	1.9
221.15674	3.3
221.19028	64.0
226.75377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	2.2
54.73477	2.0
55.05518	23.7
57.07072	3.4
58.48433	1.7
59.04989	2.2
67.05509	30.8
69.07075	18.3
70.59477	5.9
70.76252	2.0
71.04987	6.6
76.03316	2.0
79.05494	14.0
81.07073	41.6
83.04984	2.5
83.08633	17.4
85.06566	4.4
91.05502	11.8
93.07054	24.7
95.04940	3.0
95.08618	62.3
97.06503	3.0
97.10165	2.9
104.74097	2.2
105.06395	3.2
105.07052	44.8
107.08601	48.8
109.06480	4.6
109.10165	100.0
111.08100	4.0
113.09657	6.6
117.07005	2.7
119.07787	3.5
119.08588	38.2
121.10155	25.1
123.08088	9.5
123.11728	19.9
125.09637	6.4
131.08545	2.2
132.36829	2.0
133.10153	29.5
135.11679	8.5
137.09593	2.7
137.13266	2.5
139.11157	2.0
143.08484	2.1
145.10112	3.8
147.11702	48.2
149.13278	23.5
151.11183	13.6
161.13287	21.3
163.14862	15.5
165.12758	7.0
175.14862	10.8
177.16484	2.3
185.13217	6.3
203.14336	8.6
203.17984	93.7
218.80666	1.9
221.15750	9.2
221.19022	70.2
229.56023	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.01316	1.2
54.18599	1.1
55.05520	7.2
57.07075	3.3
59.05005	1.1
59.26168	0.9
64.43922	1.1
67.05505	16.6
69.03434	2.6
69.07069	11.4
70.47401	4.9
71.04990	5.4
78.43606	1.2
79.05514	9.5
81.07066	43.3
82.07371	1.1
83.04986	3.2
83.08618	5.2
85.06557	1.6
91.05485	9.5
93.07057	19.0
94.08453	1.3
95.04986	1.6
95.08614	39.2
97.06536	4.8
97.10193	2.5
98.97594	2.4
99.08098	2.6
101.26424	1.2
105.07046	30.6
107.08605	26.2
109.06517	4.0
109.10169	28.9
111.08073	2.8
111.11705	1.7
113.09691	1.9
115.05463	3.0
117.07033	6.5
119.08598	31.4
121.10146	18.4
122.17002	1.2
123.08066	4.3
123.11715	15.9
125.09655	2.3
128.06284	2.3
129.06996	1.3
131.08548	1.9
133.06487	3.3
133.10129	19.7
135.08098	2.6
135.11691	15.4
137.09618	3.9
137.13240	2.3
143.08609	2.4
145.06503	1.3
145.10138	4.2
147.08075	4.3
147.11707	29.1
149.13277	4.9
151.11201	5.3
157.10147	1.7
159.11946	1.3
160.12486	2.6
161.06042	2.6
161.09633	3.3
161.13283	13.0
162.06783	6.0
163.11151	1.2
163.14828	8.4
165.06958	1.6
165.09206	2.4
165.12808	4.6
175.07574	3.1
175.11240	1.7
175.14859	3.3
177.09123	100.0
177.16434	9.4
178.09496	1.6
179.10660	1.4
203.10802	2.1
203.14366	4.1
203.17989	40.8
204.18130	1.3
221.06111	2.9
221.09673	2.7
221.11818	3.1
221.15643	8.5
221.19043	45.1
221.21962	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	221.1537
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03948	6.0
53.99770	1.6
55.01866	5.6
55.05515	22.5
57.03415	2.3
57.07064	5.2
57.22466	1.6
59.04991	3.5
63.09993	1.9
65.03933	2.6
66.37880	1.5
66.97834	1.6
67.05508	23.1
69.03436	42.3
69.07079	16.4
71.04995	7.1
79.05501	33.2
81.07067	56.6
83.04987	23.2
83.08615	7.6
85.02910	2.6
85.06526	2.5
91.05482	26.0
93.07051	25.7
95.04978	16.8
95.08613	29.1
97.06516	5.6
99.04483	4.6
102.56177	1.8
105.07038	37.4
107.04968	10.2
107.08599	25.3
109.06536	30.0
109.10168	37.2
111.08099	18.3
115.05442	4.6
116.06204	1.8
117.07063	14.0
118.06541	3.2
119.04968	2.4
119.06849	3.3
119.08592	53.3
121.06526	14.7
121.10155	27.0
122.07254	3.1
123.08082	33.8
123.11728	8.7
125.06044	3.5
125.09639	2.5
128.06219	5.9
129.07060	8.3
130.06567	1.9
131.04939	2.1
131.08572	6.8
133.06520	8.3
133.10159	29.5
135.08080	12.9
135.11705	13.2
137.06001	32.2
137.09618	28.7
138.10355	3.3
139.11214	3.7
142.07819	1.9
143.07634	1.8
143.08549	10.8
145.06465	3.9
145.10110	11.7
147.08070	17.1
147.09976	2.2
147.11703	17.9
148.06552	1.8
149.09639	6.3
149.13278	3.5
151.07533	9.7
151.11197	8.6
157.06432	2.7
157.10115	4.6
159.08032	2.4
159.11676	6.8
160.08853	2.1
161.06058	3.1
161.09644	14.8
161.13307	19.2
163.09740	3.0
163.11186	22.0
163.14771	1.8
165.07001	7.2
165.09138	26.5
165.12727	2.3
170.10886	3.4
171.08070	4.7
174.06828	4.5
175.07527	4.2
175.11186	5.4
175.14819	16.1
176.14351	4.0
177.09137	35.5
177.11147	3.4
177.12827	5.2
177.14685	18.8
179.10744	3.2
179.14314	11.8
185.13272	5.2
188.08350	2.6
189.09134	4.5
193.06543	4.6
193.12334	2.1
193.15868	11.8
194.07298	3.0
203.06964	2.1
203.10721	14.5
203.14362	19.0
203.17950	8.5
221.06081	10.7
221.07846	2.9
221.11707	11.0
221.15358	100.0
221.17349	91.0
221.18861	4.3
222.06757	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.60823	1.1
53.03942	3.7
55.01881	5.5
55.05516	15.2
57.03428	3.0
57.07079	7.4
59.05000	3.0
61.02908	1.0
65.03931	2.9
67.05176	1.7
67.05510	23.8
69.03435	9.0
69.07078	22.6
70.03127	1.0
71.05000	13.9
71.56494	1.5
73.06561	1.2
79.05053	1.8
79.05499	25.2
81.03415	2.0
81.07064	54.5
83.04984	7.8
83.08635	6.7
85.02868	2.6
85.06546	5.0
88.26071	1.1
91.05481	33.9
93.07053	46.4
94.07357	1.5
95.04982	11.7
95.08613	40.2
96.08938	1.5
97.06540	7.5
97.10170	1.5
99.04449	5.0
99.08094	2.0
103.05438	3.4
105.07040	66.8
106.07356	2.1
107.04975	6.3
107.08601	42.9
109.06522	20.0
109.09452	2.2
109.10168	30.5
111.04401	1.3
111.08086	8.5
113.06036	2.2
115.05455	4.0
116.06220	1.6
117.07021	13.8
119.04926	2.8
119.08591	66.7
120.98309	1.1
121.06503	17.4
121.10144	23.3
122.07399	1.1
123.04395	1.6
123.08073	20.5
123.11720	22.4
125.06013	8.8
125.09640	4.1
127.07537	1.5
128.06219	5.2
129.07027	11.7
130.07880	1.9
131.04915	2.6
131.08592	11.0
133.06516	11.5
133.10139	45.7
135.08046	12.1
135.10689	1.8
135.11702	32.5
137.05981	6.3
137.09653	12.3
137.13255	2.6
139.07533	1.7
139.11140	2.4
142.07782	3.3
143.04895	1.2
143.08575	17.6
144.09308	2.0
145.06499	4.6
145.10158	19.4
146.03671	1.3
146.07365	2.1
147.04398	2.4
147.06940	2.0
147.08072	20.2
147.10791	1.4
147.11707	25.7
148.11951	1.0
149.09628	6.3
149.13274	3.9
151.03917	4.6
151.07556	3.8
151.11197	7.9
151.14853	2.1
153.09140	1.9
155.08611	1.4
156.09444	1.3
157.06502	2.3
157.10127	7.6
159.08081	3.0
159.11716	9.0
160.05257	1.4
160.08894	2.1
160.12387	2.8
161.06006	9.3
161.09634	28.9
161.13283	29.9
163.07567	1.6
163.11211	19.8
163.14819	6.3
165.06987	3.6
165.09114	13.8
165.12779	2.5
167.71870	1.1
170.10988	1.8
174.81511	1.5
175.07588	3.4
175.11255	7.6
175.14847	36.2
177.09129	15.3
177.12733	3.2
177.16354	2.1
178.07841	2.1
178.09738	1.3
179.07117	1.4
179.10660	4.9
179.14326	17.4
185.13252	11.5
189.05453	1.9
189.09160	6.2
190.82112	1.1
191.09694	1.3
193.06610	2.3
193.08598	4.5
193.12292	1.3
193.15891	11.0
203.07004	2.4
203.10883	5.4
203.14342	32.5
203.18042	17.5
206.10852	1.5
206.16257	1.6
221.06007	5.6
221.08063	5.9
221.09761	2.8
221.12019	13.2
221.15385	100.0
221.18895	21.7
221.22226	2.2
222.15479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66721	0.2
52.52623	0.2
53.03913	0.2
55.05519	0.5
64.61627	0.2
67.05491	0.7
69.03423	0.2
69.07047	0.3
71.04985	0.7
71.30060	0.3
77.03937	0.3
79.05489	1.0
81.07073	1.2
83.04996	0.2
83.08611	0.4
91.05494	2.2
93.07076	1.1
95.04973	0.2
95.08595	1.1
99.04417	0.3
103.05446	0.4
105.07043	3.0
107.04940	0.3
107.08610	1.2
109.06537	0.4
109.10185	1.3
111.08116	0.2
115.05465	1.5
116.06239	0.8
117.06218	0.3
117.07017	5.1
118.60947	0.2
119.04898	0.4
119.08605	2.2
121.06489	0.6
121.10152	0.8
123.08081	0.5
123.11655	0.4
125.09612	0.3
128.06255	1.3
129.07050	0.7
131.04926	0.2
131.08563	0.6
133.06519	1.3
133.10138	1.9
134.07265	1.1
135.08064	1.1
135.11728	0.5
137.06017	0.3
137.09656	0.3
143.08566	1.4
144.05698	0.8
145.06534	1.0
145.10115	0.8
146.07298	0.2
147.04454	0.3
147.08026	0.5
147.11700	2.5
149.09633	0.7
151.11256	0.4
157.10141	0.7
159.11681	0.3
160.05193	0.4
161.05972	0.6
161.09628	1.0
161.13316	1.0
162.06776	6.1
163.07567	0.3
163.11188	0.8
165.07039	0.7
165.12805	0.4
166.56210	0.2
171.08112	0.5
175.07556	2.7
175.11206	0.6
175.14821	0.6
177.09119	100.0
178.09454	1.4
179.14290	0.2
185.13196	0.4
185.93748	0.2
189.09068	0.4
193.06490	0.2
203.10684	0.9
203.14339	0.7
203.18013	1.1
206.16420	0.2
213.33739	0.2
221.05960	1.1
221.08086	0.5
221.09895	0.4
221.11784	1.2
221.15437	1.3
221.17310	0.6
221.19179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
54.79306	0.5
55.05488	1.2
56.96519	0.5
57.07035	0.9
62.01595	0.5
66.40923	0.6
67.05459	1.8
69.07038	0.9
79.05463	1.1
81.07047	2.7
82.02896	2.3
83.04964	0.6
83.08590	1.2
85.02868	0.5
91.05434	1.9
92.62769	0.5
93.06994	1.5
94.06573	3.2
95.04941	0.7
95.08616	2.5
97.06497	0.7
98.97519	0.9
103.05445	0.6
104.04980	0.8
105.07036	2.8
107.04949	0.9
107.08588	2.4
109.06484	0.9
109.10110	2.2
111.08036	1.7
115.05470	1.0
117.07000	0.5
119.08537	1.6
120.08018	0.7
121.06490	1.1
121.10122	1.4
123.07995	0.7
129.06949	1.2
130.06532	52.1
131.04926	0.6
131.06879	0.7
132.04454	36.3
133.06480	0.9
133.10107	1.9
134.05959	0.9
135.08011	0.9
137.05963	1.2
137.09581	1.1
137.13281	0.7
147.08096	0.8
147.09164	1.3
147.11658	2.3
148.07564	1.5
151.07539	1.1
153.09064	1.0
156.06787	0.7
157.06567	0.8
157.07620	20.9
158.06020	67.9
159.06476	0.7
161.06010	1.6
161.09604	0.9
161.13286	0.5
162.05496	0.9
165.09038	0.8
175.08682	100.0
175.14775	1.2
176.07079	1.9
176.08963	0.8
177.09073	0.9
179.06949	0.5
179.10748	0.8
186.05528	1.7
193.15872	1.2
203.08162	1.8
203.17949	1.6
204.06578	4.7
221.09290	22.0
221.12910	2.8
221.15414	1.6
221.18877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.17562	0.5
52.37798	0.5
53.44434	0.5
71.00054	1.2
72.40311	0.6
74.02430	0.8
82.02940	1.6
87.12295	0.5
94.06573	3.1
94.40604	0.5
94.62141	0.5
98.97550	0.8
103.05478	0.9
104.05029	0.6
117.19374	0.6
118.11002	0.6
120.08121	1.4
130.06538	70.5
131.06889	0.8
132.04463	39.3
140.04904	0.8
146.05991	0.7
147.09204	0.9
148.07550	3.6
154.22540	0.6
156.06778	0.7
157.07626	36.6
158.06024	83.2
159.06381	1.4
162.14810	0.6
175.08685	100.0
176.07076	2.2
176.09058	0.9
185.07076	1.3
186.05518	3.0
203.08168	14.8
204.06581	4.5
221.09236	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	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05517	4.9
57.03429	3.3
60.25002	0.8
65.03943	1.3
67.05511	9.7
69.07069	5.8
70.08694	0.9
71.05013	1.2
71.09966	1.9
73.37880	0.8
79.05498	7.6
81.07066	19.9
83.04993	1.3
83.08616	1.1
85.06530	1.3
85.17155	0.8
91.05477	9.7
93.07060	15.5
95.04981	19.1
95.08624	26.1
97.06565	4.1
97.10217	1.0
105.07046	34.1
107.07874	1.1
107.08601	16.4
109.06534	10.9
109.09448	1.5
109.10168	19.2
111.08110	2.5
111.11717	2.4
117.07056	4.5
117.99745	0.8
119.08592	27.1
121.10160	10.3
123.08099	6.0
123.11713	3.8
130.07867	1.1
131.08583	11.8
133.10139	11.4
135.08122	4.1
135.11693	11.3
137.09653	6.1
144.09413	1.1
145.09044	1.7
145.10147	28.4
147.11707	17.6
149.09616	5.5
149.13264	2.9
159.11716	18.2
161.13277	39.1
162.13670	1.1
163.11232	2.6
163.14833	3.7
172.31221	0.8
173.13272	7.6
175.14854	7.8
177.12773	1.0
177.16461	1.2
191.14319	1.3
191.18008	5.0
201.16409	52.3
202.16714	1.4
216.98979	0.9
219.17468	100.0
220.17836	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.31347	1.3
55.05515	5.8
57.03454	6.0
67.05220	1.2
67.05508	13.5
69.03416	1.6
69.07072	7.7
71.04984	1.9
71.32031	2.2
71.97487	1.2
79.05504	8.9
81.06590	1.3
81.07069	25.1
83.08611	2.9
91.05482	10.4
93.07045	19.4
95.04984	14.3
95.08608	25.4
97.06538	4.4
97.10144	1.5
105.06517	1.7
105.07043	41.1
107.08611	21.2
109.06518	9.1
109.10170	20.2
111.08080	4.0
111.11711	2.5
117.07036	6.0
119.07794	2.1
119.08595	31.8
121.06486	1.6
121.10158	15.7
123.08075	5.4
123.11726	3.9
125.09634	2.1
130.25858	1.2
131.08598	11.0
133.10139	12.9
135.08063	4.6
135.11713	11.5
137.09636	5.6
144.09322	1.8
145.10136	32.7
147.10658	2.0
147.11708	27.7
149.09665	7.1
149.13210	3.1
151.11208	1.9
157.10158	1.5
159.11708	19.4
161.13274	49.3
163.11188	4.0
163.14867	3.6
173.13272	9.0
175.14809	7.2
177.12729	1.8
191.14281	1.9
191.18040	5.9
193.41888	1.2
201.16408	52.1
201.18271	3.0
219.17465	100.0
220.17821	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.01702	1.7
55.05496	6.9
57.03414	2.1
57.07057	3.1
59.04995	3.8
67.05511	11.7
69.03426	2.2
69.07075	22.3
70.46007	5.3
70.46338	1.8
71.05004	3.7
73.92563	1.8
79.05489	13.1
81.06647	2.4
81.07058	29.1
83.04950	2.7
83.08605	3.9
91.05485	22.0
93.07043	34.6
95.04973	11.1
95.08047	2.8
95.08611	33.8
97.06542	8.7
105.07032	48.9
107.04939	2.4
107.08604	33.5
109.06507	7.3
109.10159	16.8
111.08086	2.9
117.06994	14.8
119.07800	3.6
119.08585	51.7
121.06464	3.3
121.10148	22.9
123.08103	3.6
123.11709	5.6
125.09593	4.8
129.06987	2.9
130.07741	4.4
131.08563	26.0
133.10139	25.1
135.08092	4.2
135.11653	11.7
137.09563	2.6
143.08606	3.0
144.09256	3.3
145.09053	3.2
145.10132	44.9
147.11687	12.1
149.09604	8.3
149.13284	4.8
157.10069	2.5
159.11696	40.0
161.13248	26.8
163.11206	16.0
173.13263	12.5
175.14842	27.0
177.12759	5.7
177.16364	5.6
191.18085	4.1
196.83601	2.0
201.12724	2.1
201.16389	47.5
203.14235	3.2
219.13815	6.0
219.17436	100.0
220.17798	2.1
224.30981	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.41978	0.6
53.03938	0.9
55.01876	0.7
55.05513	6.1
57.03419	1.2
57.07063	1.4
59.05012	0.7
65.03902	0.7
67.05509	10.4
69.03416	1.7
69.06784	0.6
69.07072	7.3
70.45822	2.0
71.04978	2.6
79.05491	9.3
81.07060	30.1
83.04973	2.4
83.08602	2.8
85.06530	1.8
85.62347	0.5
91.05488	10.0
93.07048	20.6
95.04972	7.2
95.08611	23.2
96.30893	0.8
97.06523	3.4
97.10167	1.6
103.05445	0.7
105.07031	38.1
107.08598	22.7
109.06515	4.9
109.10158	13.6
111.08083	6.0
115.05470	0.8
116.06245	1.1
117.07020	6.0
119.08586	24.4
121.06521	2.4
121.10146	16.2
123.08066	4.0
123.11682	4.2
125.09608	2.7
128.06227	1.1
129.07004	2.5
130.07765	1.8
131.08569	16.1
133.09238	1.1
133.10147	13.4
135.08086	2.9
135.11697	11.9
137.09581	1.9
140.59477	0.6
143.08527	1.4
144.09340	2.2
145.10124	32.9
146.10855	1.3
147.11688	7.1
149.09583	3.8
149.13271	4.5
151.11192	1.4
157.10133	1.9
158.10883	0.9
159.08084	2.1
159.11697	34.5
160.12431	0.8
161.09634	1.6
161.13263	44.6
163.11200	6.8
163.14848	6.8
171.11668	0.8
172.12454	0.8
173.13254	8.9
175.14816	4.2
177.12717	2.2
177.16400	1.5
186.14110	0.8
189.12798	2.9
191.14221	1.3
191.17957	6.6
201.16386	52.0
202.16579	0.6
203.14311	1.4
204.15141	3.0
219.10172	1.9
219.17445	100.0
220.17749	1.7
231.31923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.75905	1.5
52.94081	1.3
53.03959	2.1
55.05516	6.9
57.03419	1.6
67.05515	13.5
69.07086	8.5
69.71832	1.6
70.67193	4.0
71.04996	2.9
79.05499	10.1
81.07063	28.1
83.04987	3.2
83.08607	2.2
85.06532	1.6
91.05049	1.3
91.05503	11.1
93.07056	24.2
94.79729	1.7
95.04977	11.1
95.08622	26.9
97.06522	5.3
97.10153	1.3
105.07042	40.4
107.08607	25.3
109.06520	10.9
109.10159	18.0
111.08070	4.5
117.07046	5.8
119.08595	32.9
121.06549	2.8
121.10159	16.6
123.08060	4.1
123.11726	4.4
125.09613	1.8
130.07780	2.4
131.08577	14.5
133.10136	15.4
135.08104	3.8
135.11703	12.6
137.09654	4.5
144.09315	1.8
145.09027	2.7
145.10138	36.3
146.07281	1.6
147.11739	15.4
149.09668	3.6
149.13266	3.0
158.47491	1.4
159.11722	24.1
161.13278	45.1
162.13608	1.6
163.11201	4.1
163.14813	3.6
173.13322	9.7
175.14836	8.5
177.16434	2.2
191.14366	2.5
191.17970	5.9
198.92422	1.8
201.16397	51.7
201.18266	3.0
202.16721	1.6
219.17465	100.0
220.17738	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.14196	1.1
53.03948	2.8
55.05508	6.0
57.03434	3.2
57.07070	3.6
57.56487	1.2
60.51857	1.1
67.05505	9.5
69.03426	1.7
69.07066	10.5
70.86030	2.6
70.86389	1.5
71.04985	2.4
79.05492	14.4
81.07058	39.1
83.04977	6.5
83.08614	3.2
85.06526	1.5
91.05478	23.0
93.07048	27.5
95.04950	5.2
95.08032	0.9
95.08607	25.4
97.06533	5.3
97.10211	1.3
103.05466	1.4
105.07034	43.0
107.08592	23.5
109.06522	7.2
109.10146	13.3
111.08086	4.9
117.07019	13.1
119.08584	37.8
121.06512	2.0
121.10149	21.6
123.08080	5.3
123.11713	5.8
125.09627	4.4
129.06979	2.8
130.07835	2.5
131.08568	18.7
133.10133	32.4
135.08058	3.9
135.11700	12.3
137.09608	4.6
139.11263	1.3
143.08594	1.2
144.09355	2.1
145.10135	31.6
147.11691	19.0
149.09628	7.4
149.13235	3.8
151.11185	9.3
157.10117	1.5
159.11699	48.5
159.79659	1.3
161.13261	44.0
163.11180	17.4
163.14816	2.8
173.13258	6.4
175.14807	7.2
177.12756	5.3
177.16396	6.5
191.14302	3.6
191.17931	6.3
201.16377	44.5
219.17451	100.0
220.17740	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03942	3.9
55.01859	2.2
55.05518	13.0
57.03424	1.9
57.07062	6.4
59.04995	5.3
67.05509	26.5
69.07070	23.8
69.80629	7.9
69.81046	4.4
71.04989	4.7
79.05497	27.9
81.07065	44.8
83.04981	4.9
83.08618	7.9
85.06537	4.1
91.05487	25.8
93.06468	3.0
93.07047	44.4
95.04944	5.6
95.08057	3.0
95.08611	39.1
97.06495	5.4
101.41572	1.7
105.07036	42.6
107.04962	15.2
107.08607	45.7
109.06514	17.8
109.09451	3.0
109.10157	34.9
111.08079	3.8
117.07009	22.6
119.08584	31.6
121.06515	9.1
121.10152	24.4
123.08102	14.4
123.11707	30.8
125.09625	4.0
129.07005	3.0
130.07774	5.4
131.08563	27.3
133.09233	3.0
133.10136	26.7
135.08057	6.6
135.11710	42.6
137.09625	6.9
143.08527	5.1
144.09325	2.4
145.10133	64.5
147.11682	10.7
149.09602	14.6
149.13220	3.6
151.11131	3.4
157.10239	2.1
158.10922	3.0
159.11703	45.5
161.13266	21.8
163.11195	51.9
173.13193	10.6
175.14816	7.4
177.12758	6.6
186.14055	2.9
191.17963	4.7
197.59813	1.9
201.16391	68.3
203.14427	2.3
216.91663	2.4
219.14053	4.2
219.17453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03939	2.3
53.62619	2.2
55.05494	5.7
57.07071	4.4
67.05499	16.2
69.07063	16.4
71.04990	11.7
71.06529	2.5
72.62398	2.1
79.05479	12.1
80.30904	1.8
81.07063	32.3
83.08610	4.7
85.06528	6.9
85.49530	1.8
85.94308	1.9
91.05476	21.4
93.07050	34.8
95.04968	3.6
95.08619	28.4
97.06536	15.4
99.08090	3.6
105.07037	53.2
107.08601	38.0
109.06507	5.2
109.10153	28.7
111.08083	7.2
117.07024	13.1
119.08591	56.0
119.09460	2.7
121.06518	4.9
121.10156	28.6
123.08060	6.3
123.11691	7.7
125.09650	13.2
126.69871	1.8
129.07019	4.5
130.07809	4.8
131.08574	24.1
133.10138	32.9
135.08034	3.7
135.11705	16.1
137.09602	4.5
139.11182	2.2
143.08630	2.9
144.09354	4.5
145.10133	54.0
147.11720	21.6
149.09659	6.6
149.13268	7.9
151.11198	3.3
157.10187	2.3
159.11702	87.2
161.13261	68.5
163.11183	20.9
173.13278	12.5
175.14861	10.8
177.12769	10.4
177.16393	8.8
189.09065	2.8
189.38887	2.1
191.14334	2.4
191.17932	6.6
201.16394	64.2
219.10106	5.4
219.17453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92585	0.8
53.03901	0.9
63.64088	0.8
66.80398	0.9
67.05491	2.0
70.15233	3.3
79.05500	1.2
81.68831	1.0
91.05483	11.8
95.08642	1.4
98.21513	1.0
103.05466	4.3
105.07047	2.6
107.08610	1.3
115.05451	11.5
116.06238	3.9
117.07001	3.7
119.04947	1.1
119.08586	2.4
128.06224	12.4
129.07016	44.4
130.07773	2.9
131.04942	8.0
131.08585	37.9
133.06502	1.0
133.10143	2.1
137.05998	3.7
141.07001	37.2
143.04935	2.5
143.08607	2.2
144.05725	8.3
145.06476	8.4
145.10130	1.5
146.07314	3.6
147.08005	1.2
148.05206	1.5
155.06085	1.4
156.05714	1.2
157.06517	22.5
158.07291	24.2
159.04430	3.9
159.08067	31.0
159.11702	1.7
160.05203	5.3
160.08647	1.0
161.05968	2.1
161.09631	5.7
163.07504	1.8
168.05803	1.6
169.06480	16.4
169.07690	1.4
170.07277	6.0
173.06007	6.2
173.09621	1.2
173.13356	1.1
174.06787	78.2
175.07564	13.6
185.06046	1.0
186.06779	18.8
187.07542	3.5
188.08307	5.0
189.09128	95.4
190.09505	1.9
191.07086	1.6
191.10646	7.2
201.09138	40.3
201.16359	1.7
203.14372	1.4
219.10181	100.0
219.17421	6.6
220.10431	1.9
235.40581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01863	0.9
55.05502	3.1
57.03433	1.8
57.07050	0.9
59.64710	0.8
60.92075	0.8
63.01503	0.9
65.03931	1.1
67.05503	4.7
69.03414	0.8
69.07071	3.7
70.26595	2.5
75.04458	0.7
79.05505	4.6
79.84697	0.7
80.30895	0.8
81.07061	7.9
83.04948	0.9
84.78442	0.7
91.05489	15.9
93.07050	9.5
94.73844	0.9
95.04981	1.4
95.08620	8.1
97.06529	0.8
103.05469	4.5
104.86374	0.8
105.07039	13.0
107.04915	0.9
107.08603	10.1
109.06504	2.1
109.10155	6.1
115.05458	12.8
116.06244	5.0
117.07041	4.9
119.08591	10.0
121.06480	1.9
121.10154	11.7
123.11721	1.0
128.06204	9.0
129.07018	40.6
130.04153	0.9
130.07878	4.3
131.04919	7.6
131.08577	45.6
133.06483	0.9
133.10158	6.9
135.08076	1.2
135.11703	5.3
137.05984	3.5
137.09581	1.2
141.06998	34.2
143.04944	2.0
143.08551	3.7
144.05711	10.3
144.09286	1.4
145.06480	7.8
145.10135	16.0
146.07320	5.2
147.11699	2.9
148.05208	1.5
149.09651	1.0
155.05997	1.4
155.08563	0.9
157.06503	20.6
157.10126	0.9
158.07281	25.8
159.04390	3.1
159.08078	28.8
159.11674	10.6
160.05212	4.9
161.06004	1.7
161.09627	3.3
161.13249	4.8
163.07521	2.1
163.11180	2.0
163.14760	1.3
169.06465	13.9
169.07628	1.4
170.07269	5.8
171.04349	0.9
171.08069	1.4
172.05151	1.2
173.05986	4.2
173.09677	2.6
173.13263	4.4
174.06775	68.2
175.07553	13.6
175.14818	1.8
177.09116	1.3
177.12665	0.9
178.29433	0.8
185.06042	1.0
186.06773	16.1
187.07523	7.3
188.08328	2.7
189.09116	83.6
190.09482	1.6
191.07071	1.1
191.10677	6.6
191.18024	1.4
201.09116	35.9
201.12758	2.0
201.16400	20.6
203.14276	3.4
204.07784	2.2
219.10175	100.0
219.13774	2.7
219.17429	31.8
220.10573	1.4
220.17015	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46194	17.1
69.94182	100.0
69.94490	30.1
71.73571	21.7
72.08160	45.5
77.22963	19.7
77.78629	17.6
84.08173	29.9
89.12953	22.0
98.20790	23.1
118.97578	18.5
130.18129	21.2
219.02834	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.0
55.05503	2.3
59.05004	2.3
59.95692	1.2
61.02642	1.9
61.02930	26.4
67.05490	1.3
70.72478	2.2
70.72810	1.5
70.82501	1.3
71.01359	41.8
75.04488	62.3
79.05498	1.8
81.07048	2.4
84.99256	2.4
85.02903	2.4
87.03998	1.6
87.04476	22.4
89.02393	10.9
90.05547	1.5
93.07040	2.3
98.97582	3.6
101.06001	2.2
103.03950	71.4
105.06995	2.5
106.84358	1.2
107.08577	1.4
111.04422	1.4
117.07047	1.4
119.08583	3.9
121.10171	3.0
129.77475	1.1
131.03410	16.3
133.10101	3.3
135.08130	1.2
145.10161	2.9
146.06032	1.9
159.02907	100.0
159.11678	1.9
161.04530	2.5
161.13304	2.5
174.06673	1.5
174.52266	1.4
187.02441	15.2
187.04111	1.9
202.10611	1.4
203.14308	14.9
212.42696	1.2
219.05037	12.4
219.11459	1.3
219.17453	51.0
237.03104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.01501	0.8
53.75893	0.7
55.05522	2.0
57.03421	1.6
59.04985	0.8
64.19452	1.0
65.03944	1.0
67.05486	3.9
69.03448	1.5
69.07043	1.1
70.69371	1.7
72.00443	0.8
79.05502	4.4
81.07063	5.1
83.04992	1.0
85.02893	1.1
91.05489	16.1
93.07060	4.4
95.04954	1.9
95.08579	3.3
103.05447	3.3
105.07046	7.7
107.04951	1.9
107.08566	3.4
109.06514	2.1
109.10156	1.3
115.05453	12.2
116.06224	5.1
117.07018	4.5
118.30279	0.9
119.08586	5.9
121.06488	1.4
121.10107	3.8
123.08088	1.9
128.06227	11.9
129.07013	42.1
130.07756	3.1
131.04932	9.2
131.08578	42.8
133.06494	0.9
133.10196	4.1
135.04379	1.8
135.08028	1.9
135.11650	2.2
137.05969	4.0
141.06998	39.6
143.04877	2.4
143.08516	3.4
144.05696	9.6
145.06477	9.7
145.10117	4.9
146.07283	5.7
147.08032	1.5
147.11652	1.7
148.05110	1.0
149.09584	0.9
153.07005	1.4
155.05984	1.5
157.06516	20.7
157.10048	0.9
158.07280	22.5
159.04364	4.0
159.08069	33.1
159.11671	4.6
160.05174	4.7
161.05930	1.3
161.09593	6.1
161.13225	2.8
163.07547	3.3
163.11253	1.7
168.05728	0.9
169.06474	14.6
169.07678	1.4
170.07310	5.3
172.05156	1.4
173.06023	5.0
173.09607	1.7
173.13249	3.3
174.06784	75.7
175.07579	11.9
175.14862	1.8
177.12730	1.4
183.08058	0.9
186.06772	19.2
187.07607	7.3
188.08299	4.0
188.18866	0.9
189.09119	92.4
190.07718	5.1
190.09477	2.1
191.07066	1.6
191.08522	9.9
191.10446	7.4
201.09129	40.0
201.16356	4.0
203.14333	5.0
218.07028	1.2
219.08066	13.6
219.10136	100.0
219.13725	5.4
219.17418	21.8
220.10234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.59151	1.2
67.05492	2.3
69.84562	4.8
78.14417	1.2
81.07037	1.7
88.60119	1.1
91.05495	11.2
93.07034	2.0
93.98407	1.1
94.84512	1.1
95.08608	2.6
103.05457	2.1
105.07024	5.3
107.08609	2.0
115.05448	12.5
116.06259	3.0
117.07011	5.4
119.08591	2.9
121.10107	1.4
128.06209	11.5
129.07002	44.6
130.07722	3.7
131.04915	10.2
131.08577	43.0
133.10153	2.3
137.05983	3.3
141.06998	39.0
143.04907	3.3
143.08617	1.7
144.05692	6.0
145.06482	8.1
145.10115	3.9
145.88203	1.2
146.07251	5.5
147.11668	1.7
147.36850	1.1
148.05154	1.3
151.03801	1.6
157.06493	22.2
158.07278	21.3
159.04405	4.0
159.08054	30.8
159.11697	4.0
160.05197	5.4
161.05992	1.5
161.09630	3.8
161.13289	2.2
162.06862	1.3
163.07472	2.8
169.06485	14.8
170.07294	8.2
173.05963	4.5
173.13278	4.4
174.06773	68.3
175.07536	12.7
183.11832	1.2
186.06781	19.4
187.07533	2.5
188.08322	4.6
188.88916	1.3
189.09113	95.1
190.09535	1.6
191.10667	8.6
201.09116	39.1
201.16344	2.7
203.14326	1.4
219.10167	100.0
219.17453	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	217.1589
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
55.05515	8.3
56.73639	1.1
57.07066	2.9
57.52751	1.2
59.05006	3.0
60.01096	1.5
65.03915	1.7
67.05498	3.8
69.03425	2.0
69.06722	1.5
69.07073	21.5
70.57334	4.1
71.40331	1.2
78.70960	1.3
79.05482	5.4
81.07052	8.5
83.04986	7.3
83.08595	2.0
85.06544	1.7
91.05481	10.0
93.07041	7.0
95.04974	4.8
95.08595	9.0
97.06526	2.3
101.06007	2.3
105.07036	26.6
107.08598	10.4
109.06523	5.2
109.10146	4.0
111.04441	9.5
117.07047	6.9
119.04947	2.2
119.08586	23.2
121.06523	4.0
121.10138	3.3
123.08084	3.3
128.06229	5.6
129.05516	2.1
129.07045	6.8
131.08574	21.9
133.06415	2.0
133.10133	16.7
135.08064	4.2
135.11742	2.5
135.87672	1.3
137.09604	1.9
141.06963	3.8
142.07787	30.3
143.08583	19.1
144.09363	3.9
145.10120	7.9
147.08073	8.1
147.11702	10.6
148.08781	1.8
149.09619	3.3
155.07031	10.4
155.08524	4.5
156.09349	15.0
157.10143	100.0
158.10559	1.7
159.11713	25.3
161.09651	23.0
161.13188	1.9
169.10143	3.0
170.10924	10.8
171.11690	36.5
173.08156	7.3
173.09485	1.8
173.13287	11.2
175.11227	14.2
175.14851	7.6
179.46199	1.5
184.12411	3.9
189.16393	11.2
199.14845	33.6
212.62354	1.5
217.08757	2.3
217.10698	4.5
217.12494	2.7
217.15894	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03922	2.5
53.85027	1.7
55.01889	1.8
55.05510	30.2
55.68746	1.5
59.04996	3.2
59.30515	1.6
60.05646	2.2
67.05505	16.3
68.05029	2.1
69.03410	3.1
69.04559	1.7
69.07079	12.0
71.04633	2.4
71.04979	3.8
79.05486	13.8
81.07059	30.8
83.04984	37.7
83.08605	3.7
85.06538	4.9
87.04476	4.9
89.02390	4.2
89.06017	6.3
91.05484	25.0
93.03398	2.1
93.07046	22.9
95.04969	5.4
95.08607	35.0
97.06543	2.9
99.04368	2.1
101.06024	19.0
105.07035	51.7
107.08607	30.0
108.05630	3.1
109.06509	9.4
109.10159	19.6
110.07166	4.7
111.04446	55.8
111.08061	4.0
111.15998	1.7
113.06000	7.3
115.05449	2.6
117.07019	9.4
119.08587	39.1
121.06522	7.7
121.10150	18.3
122.07153	2.1
123.08069	6.8
123.11714	5.4
127.07560	6.0
128.06236	6.9
129.05498	13.3
129.06975	13.6
131.08577	24.0
131.34164	2.0
133.06453	4.4
133.07613	3.3
133.10138	25.3
134.07135	3.1
135.06653	3.4
135.08020	4.0
135.11696	6.9
137.09721	2.3
141.06923	2.7
142.07767	13.2
143.08563	37.0
144.09366	3.3
145.10130	14.6
146.07303	2.1
147.08047	6.8
147.11688	21.1
155.07045	71.1
156.09369	5.7
157.10138	50.1
158.07137	2.3
159.06686	2.6
159.11707	34.7
161.09618	19.7
161.13258	20.3
162.10449	2.1
169.10124	3.6
170.10841	3.4
171.11700	12.1
173.08122	41.9
173.09459	1.5
173.13264	11.0
175.09785	7.7
175.11214	9.0
175.14888	8.2
176.09286	2.2
177.07762	2.7
187.14824	3.6
189.12782	2.8
189.16374	20.1
199.09718	2.7
199.14838	65.1
200.09206	1.9
217.10551	33.5
217.12422	10.1
217.15909	100.0
217.19354	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	217.1588
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03943	2.4
55.05510	6.7
67.05513	10.2
68.99871	1.5
69.07052	6.2
71.04988	2.0
71.18902	2.8
78.15960	1.5
79.05496	11.5
81.07056	30.5
83.04974	3.6
83.08598	2.0
91.05481	19.0
93.07053	20.2
95.04975	4.8
95.08615	23.3
97.06514	2.2
99.83159	1.2
103.05476	1.5
105.07035	46.8
107.04976	1.5
107.08612	19.3
109.06515	5.6
109.10166	7.6
115.05444	1.7
117.07027	8.7
119.08575	29.9
121.06489	6.1
121.10132	6.8
123.08054	4.1
128.06241	8.9
129.07004	11.2
131.08575	18.9
133.06499	3.5
133.10135	20.3
135.08058	4.6
135.11700	2.1
137.09554	3.2
141.07013	3.1
142.07782	16.1
143.08569	46.3
144.09328	3.8
145.10146	15.1
147.08044	3.6
147.11710	10.5
149.09650	2.6
153.26196	1.2
155.07117	1.3
155.08560	2.9
156.09383	3.6
157.10136	53.9
158.10904	2.2
159.11705	31.9
161.09631	21.0
161.13264	5.9
169.10095	3.2
170.10944	3.6
171.11688	11.9
173.08163	1.8
173.13284	7.7
175.11192	5.8
175.14807	3.8
178.74780	1.2
184.12527	4.4
187.14799	3.2
189.12732	3.8
189.16359	15.1
190.16519	1.3
199.14828	61.2
200.15205	1.7
217.15892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03939	1.8
55.01849	1.5
55.05513	18.7
57.03415	2.0
57.07062	2.0
59.04993	2.0
65.03939	1.5
67.05502	11.1
69.03427	2.2
69.07067	8.5
70.06599	1.7
71.05006	1.7
71.34338	1.7
79.05490	11.2
81.07055	30.4
83.04993	17.6
83.08614	2.4
85.06538	2.8
89.02364	1.6
89.06031	2.6
91.05481	21.4
93.06569	1.7
93.07058	20.6
95.04951	4.6
95.08614	23.7
97.06518	1.8
101.06004	5.7
103.05459	2.1
105.07039	47.0
107.04939	2.5
107.08601	21.0
109.06521	10.4
109.10149	9.3
111.04460	18.5
111.08060	1.8
113.06041	3.2
115.05459	2.1
116.20004	1.3
117.07047	8.7
119.07800	2.1
119.08591	31.5
121.06490	5.7
121.10171	8.4
123.08081	6.5
127.07483	1.8
128.06226	9.2
129.05536	2.5
129.07019	12.7
131.08585	21.3
133.06494	3.8
133.07506	1.4
133.10155	24.1
135.08064	6.6
135.11693	1.5
137.09612	1.8
141.06987	3.3
142.07800	13.6
143.08562	41.1
144.09300	5.1
145.10126	18.9
147.08055	7.5
147.11710	15.5
149.08331	1.3
149.09630	3.1
155.07045	27.9
155.08434	3.7
156.09329	5.2
157.10136	47.3
158.07178	1.6
158.10861	1.9
159.08070	1.6
159.09433	1.5
159.11702	33.5
161.09631	22.4
161.13249	5.7
169.10164	2.8
170.10881	3.3
171.11719	13.4
173.08112	15.1
173.13304	8.9
174.10397	1.9
175.09799	2.8
175.11154	10.5
175.14856	4.8
176.09319	2.2
184.12497	4.2
187.14845	3.3
189.12790	2.7
189.16354	12.6
197.13298	1.9
199.14827	63.4
217.10428	11.6
217.12320	6.9
217.15886	100.0
218.16162	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03944	2.1
55.05515	6.5
55.05740	1.3
57.03428	1.4
62.58482	1.2
65.03937	1.8
66.02493	1.1
66.74130	1.1
67.05502	9.3
69.03409	1.3
69.07071	7.3
71.04970	1.8
71.07525	2.6
73.65257	1.3
79.05487	11.1
81.07063	26.0
83.04986	2.8
85.06487	1.3
91.05482	15.6
91.86513	1.3
93.06544	1.8
93.07056	17.7
95.04948	3.8
95.08610	20.7
97.06512	2.8
98.65353	1.3
105.07040	41.8
107.08604	17.1
109.06519	6.2
109.10161	8.1
111.04442	1.3
115.05441	1.4
117.07017	8.1
119.07809	1.0
119.08578	27.6
121.06519	4.0
121.10149	7.1
123.08053	3.9
128.06233	6.9
129.07033	11.7
131.08577	14.2
133.06471	3.5
133.10146	17.6
135.08037	3.9
137.09598	1.7
141.07005	1.8
142.07784	15.1
143.08569	38.4
144.09331	3.9
145.10117	14.9
147.08064	5.1
147.11676	9.6
148.76305	1.2
148.77501	1.4
149.09607	2.1
155.07065	1.8
155.08521	2.8
156.09325	2.6
157.10138	48.7
159.11702	24.3
161.09639	19.1
161.13278	6.5
169.10110	3.4
170.10837	2.9
171.11700	12.7
173.13281	6.3
175.11217	8.0
175.14873	2.9
184.12581	3.1
187.14816	3.5
189.12738	3.6
189.16400	12.9
199.14839	60.9
217.15886	100.0
225.40834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
55.01876	1.4
55.05519	11.0
57.03437	2.1
57.07071	1.5
62.46898	1.3
65.03931	2.3
67.05511	12.5
69.03420	2.4
69.07066	8.1
70.46516	4.1
71.04982	2.8
79.05502	13.0
81.07059	26.4
83.04979	8.1
83.08637	2.3
87.44865	1.2
91.05483	24.9
93.07063	21.6
95.04976	6.6
95.08620	20.7
97.06538	2.2
101.06036	3.1
103.05450	1.3
105.07038	49.0
107.08596	17.1
109.06513	8.1
109.10168	7.0
111.04466	9.5
111.08078	2.6
115.05492	2.3
117.07024	10.3
119.07790	2.4
119.08592	31.4
121.06520	4.8
121.10162	8.8
123.08047	4.5
127.07598	2.9
128.06216	10.0
129.07027	11.7
130.07730	2.2
131.08571	22.0
133.06490	3.6
133.10147	22.1
135.08043	3.8
135.11757	1.6
137.09631	2.0
141.06992	2.3
142.07805	12.7
143.08583	40.8
144.09355	4.6
145.06508	1.3
145.10129	19.0
147.08041	4.6
147.11710	11.3
149.09654	2.7
155.06042	1.5
155.07079	12.0
155.08339	2.3
156.09361	6.2
157.10143	48.8
158.10852	2.4
159.11710	32.6
161.09634	23.4
161.13307	6.4
169.10130	2.9
170.10878	2.6
171.11702	17.5
173.08098	5.2
173.13271	9.4
175.11151	11.6
175.14819	5.7
184.12535	2.2
185.86986	1.6
187.14828	2.3
189.12659	2.4
189.16425	17.2
199.11174	1.8
199.14841	56.5
217.10571	3.4
217.12378	5.3
217.15894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03940	1.3
55.01864	1.1
55.05513	8.5
59.04990	1.0
60.62807	0.9
65.03955	1.0
66.15828	0.9
67.05514	6.7
69.03422	1.9
69.07056	4.4
71.04993	1.2
71.36668	1.2
79.05500	8.7
81.07063	20.2
83.04987	10.0
83.08619	2.4
85.06515	1.2
89.06034	1.1
91.05486	14.6
93.07057	12.1
95.04971	3.3
95.08598	16.5
97.06535	2.8
101.05991	1.6
105.07038	33.8
107.04936	1.1
107.08609	10.5
109.06527	8.6
109.10166	6.7
111.04468	10.2
111.08076	3.6
113.05987	1.3
115.05468	2.8
117.07025	11.9
119.08588	26.4
121.06493	3.5
121.10156	7.7
123.08070	5.5
127.07559	1.4
128.06212	4.9
129.05531	1.2
129.07002	8.5
130.07799	2.0
131.08569	21.8
133.06456	2.0
133.10147	14.6
135.08081	7.4
135.11694	1.8
137.09601	1.3
137.36961	0.9
141.06975	2.5
142.07787	10.3
143.08571	20.5
144.09370	7.7
145.10132	15.5
147.08037	6.5
147.11703	8.6
149.09666	2.0
155.07022	12.6
155.08458	2.0
156.09346	3.3
157.10135	48.7
159.11702	64.3
161.09628	10.7
161.13239	1.8
169.10081	1.9
170.10939	1.7
171.11691	19.1
173.08151	8.3
173.09563	1.3
173.13254	9.8
175.11224	7.4
175.14787	6.1
184.12486	1.9
189.12737	3.2
189.16380	7.8
199.14832	56.1
200.15106	1.0
217.08650	2.1
217.10364	5.3
217.12383	4.1
217.15889	100.0
218.16344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
55.05514	7.8
63.04082	1.8
64.89103	1.7
67.05514	11.2
67.59055	1.7
69.03436	2.0
69.07057	6.3
71.16247	2.4
71.16587	2.8
78.92741	1.8
79.05516	11.4
79.71064	1.8
81.07066	27.1
83.04964	5.7
83.08638	3.4
91.05496	21.9
93.07060	18.9
94.79288	2.1
95.08624	26.8
97.06557	2.3
105.07041	50.1
107.08604	17.2
109.06548	8.8
109.10187	11.8
111.08082	2.3
115.22823	1.6
117.07018	7.2
119.08593	27.4
121.06511	8.5
121.10166	6.9
123.08032	3.1
125.62549	2.0
128.06238	9.4
129.07014	11.1
131.08572	19.5
133.10138	23.7
135.08022	3.9
137.09605	2.3
141.06969	3.2
142.07777	14.2
143.08568	50.0
144.09344	3.6
145.10121	16.4
147.08070	3.8
147.11700	14.9
155.07123	2.8
155.08580	3.1
156.09294	4.8
157.10143	55.0
158.10855	2.6
159.11710	32.5
161.09653	20.8
161.13284	6.5
171.11740	12.8
173.08105	2.9
173.09607	2.2
173.13297	7.2
175.11234	7.2
175.14894	4.8
179.98972	1.8
184.12573	4.5
189.12846	2.2
189.16437	18.4
199.14847	69.1
212.06442	1.9
217.15913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03945	2.0
55.05518	10.7
57.07086	2.2
59.04994	1.4
59.93107	1.2
67.05509	10.3
69.03418	2.3
69.07075	8.9
70.27353	2.8
70.27753	3.0
79.05495	10.6
79.82715	1.5
81.07066	31.3
83.04978	8.0
83.08636	3.5
85.06529	2.0
91.04960	2.6
91.05486	24.3
93.07049	21.1
95.04965	5.4
95.08614	26.6
97.06520	3.4
98.21600	1.3
100.83002	1.5
101.06004	2.6
103.05486	1.6
105.07042	53.8
107.08601	22.4
109.06527	9.5
109.10168	9.9
111.04482	10.0
115.05451	3.7
116.06261	1.9
117.07012	8.0
119.07805	2.3
119.08598	33.9
121.06520	10.9
121.10136	8.9
123.08073	6.2
128.06235	12.7
129.05490	2.8
129.07024	15.8
130.07748	3.0
131.08575	23.5
133.06543	6.6
133.10139	30.9
135.08081	9.7
135.11665	2.7
137.09570	1.9
141.07007	4.1
142.07806	16.2
143.08582	43.7
144.09355	3.9
145.10136	25.2
146.07297	1.4
147.08089	7.8
147.11716	15.2
149.09628	3.1
155.07037	13.8
155.08437	3.6
156.09322	7.3
157.10141	52.7
159.08031	2.8
159.11711	36.6
161.09637	27.7
161.13216	7.2
167.25887	1.3
169.10187	2.7
170.10863	4.1
171.11703	24.2
172.27116	1.3
173.08173	8.4
173.09512	1.8
173.13303	10.5
174.10426	2.2
175.11189	15.3
175.14807	7.0
184.12497	4.0
187.14796	3.4
189.12767	4.9
189.16423	14.9
197.13275	1.8
199.11200	2.6
199.12961	3.3
199.14839	68.7
217.10651	4.3
217.12387	4.8
217.15898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1432
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
51.02381	1.2
53.03936	2.5
55.01861	1.3
55.05504	6.0
57.03429	2.3
57.07075	1.2
65.03925	1.1
67.05511	8.8
69.03414	2.6
69.07054	3.1
70.48336	2.7
71.04986	2.3
73.31069	0.9
77.03878	1.0
79.05502	9.5
80.64629	0.9
81.07059	17.9
83.05002	2.2
83.08625	1.3
85.06538	1.3
91.05486	20.7
93.07043	13.4
95.04956	4.9
95.08609	16.9
97.06507	1.0
99.08177	1.0
103.05478	1.6
105.06409	0.9
105.07032	23.5
107.04951	1.9
107.08604	8.6
108.36451	0.8
109.06523	5.1
109.10159	2.6
113.09611	1.4
115.05492	4.8
116.06268	1.6
117.07021	20.1
119.08583	36.1
121.06509	6.5
121.10166	5.1
123.08080	2.8
128.06213	6.4
129.07010	15.2
130.07777	4.3
131.08580	34.6
132.95844	2.4
133.06464	2.2
133.10138	6.0
135.08051	4.6
135.11766	1.1
141.07014	12.0
142.07803	9.9
143.08568	26.8
144.05647	1.1
144.09389	2.6
145.06509	6.0
145.09248	0.8
145.10124	34.9
147.08032	4.1
150.96890	3.8
153.07005	7.6
154.07784	6.8
155.08563	56.8
156.09380	7.8
157.10138	25.3
158.10916	2.2
159.08058	16.7
159.11711	16.9
161.13278	3.1
167.08583	13.8
168.09331	6.8
169.07642	4.0
169.10127	29.7
171.11720	11.1
172.12395	1.9
173.09631	18.5
173.13272	8.4
179.14297	1.6
182.10928	23.8
185.13203	2.2
187.11212	5.7
187.14821	14.8
197.13266	46.7
198.13538	1.3
200.12067	1.5
215.14326	100.0
216.12381	1.0
216.14502	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48800	0.9
53.03949	0.8
55.05518	7.3
65.03955	1.0
67.05503	7.1
69.03444	2.4
69.07075	3.0
71.05027	0.9
71.37202	1.6
79.05511	3.7
81.07065	7.3
83.04984	11.1
83.08635	0.7
85.06572	0.9
87.04476	1.2
87.10583	0.8
89.02403	1.2
89.06065	2.3
91.05490	16.4
93.07066	5.0
95.04983	3.7
95.08607	7.1
101.06015	4.4
103.05478	1.6
105.07034	25.1
107.08599	6.5
108.58971	0.8
109.06564	2.4
109.10183	2.9
111.04449	11.2
111.05109	1.0
111.08128	1.0
113.06040	1.8
115.05441	7.1
116.06216	1.4
117.07023	18.5
119.04922	0.9
119.08592	13.5
121.06516	5.8
121.10184	2.7
123.08099	2.8
124.29356	1.1
126.33403	0.8
127.07603	1.7
128.06219	11.4
129.05504	2.3
129.07013	14.0
129.07898	1.1
130.07811	8.2
131.08571	15.1
133.06509	1.1
133.10135	8.2
135.08055	14.0
135.08998	1.1
137.05948	0.8
137.09746	0.9
141.07030	2.7
141.98837	0.8
142.07753	5.6
143.08569	20.5
144.09402	1.9
145.06520	4.0
145.10132	80.5
146.07326	1.4
146.10400	0.8
147.08057	22.3
147.09184	1.1
147.11685	6.3
149.09680	2.1
153.06996	9.7
153.07982	0.8
154.07823	3.4
155.05969	1.0
155.07114	17.0
155.08615	40.9
156.05704	2.5
156.09375	5.6
157.06514	4.4
157.10129	16.6
158.07285	77.9
159.08073	5.3
159.11687	12.5
160.08899	3.5
161.06078	1.1
161.09637	13.0
161.13318	2.7
169.10207	1.5
170.10994	1.3
171.08083	9.9
171.11697	9.3
172.08875	3.7
173.08163	9.9
173.09621	100.0
173.13364	3.8
174.06808	2.5
174.10388	5.7
175.07637	3.4
175.11191	8.8
175.14865	2.8
181.10323	1.0
183.09293	1.0
183.14929	0.8
184.08885	7.2
187.11185	1.8
189.09145	7.6
189.12756	25.7
189.16383	4.6
199.07567	19.9
199.11206	15.0
199.14848	11.5
199.16566	1.0
201.09128	0.7
202.06332	3.0
207.24260	0.8
217.08817	20.1
217.10791	2.9
217.12367	34.2
217.15851	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.34132	1.0
52.22121	1.0
54.58115	1.1
55.01871	4.0
55.05515	10.9
57.07069	2.0
59.12684	1.2
63.41183	1.1
67.05515	6.5
69.03418	2.4
69.07071	16.9
70.25458	3.4
71.04995	4.3
79.05492	7.0
79.05904	1.1
81.07066	18.6
83.08614	10.1
85.06548	4.8
91.05490	3.7
93.07046	17.5
95.08618	39.8
97.10190	7.9
98.20721	1.2
99.08105	33.0
99.08755	1.9
102.44035	0.8
102.89439	1.1
105.07047	4.2
107.04956	2.4
107.08606	38.3
109.10169	10.8
111.08088	17.2
113.09664	3.2
117.07079	1.2
119.08589	3.1
121.10155	62.9
123.08106	1.2
123.11737	2.7
125.09650	5.7
128.06219	2.1
129.07031	2.9
135.11705	12.8
137.13252	9.1
139.11194	2.1
141.07005	2.1
142.07803	5.7
143.08560	7.1
145.10016	1.1
149.13277	3.6
153.05525	1.1
153.06960	2.2
155.08560	4.8
156.09366	2.8
157.10155	8.7
159.11765	1.2
165.07051	4.5
167.08583	1.6
169.10112	2.4
170.10950	2.5
171.08078	3.8
171.11755	1.9
177.16402	100.0
180.09396	4.4
183.08130	1.4
185.09663	3.7
185.13260	12.8
195.11728	11.2
195.17477	12.7
198.10435	1.9
213.09227	2.9
213.12761	14.0
213.18484	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	213.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.3
53.03948	2.5
55.01873	6.2
55.05516	47.2
57.03440	2.6
57.07080	11.2
59.05011	7.6
63.30421	1.1
65.03942	1.4
66.63960	1.0
67.05511	18.6
67.86575	1.3
69.03421	5.8
69.07074	98.7
69.87092	5.1
71.05003	14.5
71.08632	2.6
73.06534	1.3
76.80807	1.3
79.05492	15.2
81.07065	59.7
83.04992	7.9
83.08627	21.0
85.06553	36.0
88.07635	1.3
90.35072	1.1
91.05478	7.9
93.07055	36.7
95.04948	1.5
95.08614	100.0
96.08952	1.7
97.06536	7.9
97.10175	21.9
99.08097	22.6
105.07038	9.0
107.04967	3.4
107.08604	56.3
109.06533	1.4
109.10165	34.8
111.08099	6.8
111.11720	10.6
113.09646	12.1
115.05469	2.2
115.21788	1.1
119.08579	6.0
121.10157	77.4
123.11726	13.8
125.09656	11.3
127.11188	2.1
128.06212	6.6
129.07037	5.9
131.04947	1.3
131.08583	1.6
133.10132	2.2
135.08031	1.3
135.11708	38.2
137.13272	37.5
139.11177	12.0
141.06990	5.5
142.07779	13.6
143.08568	8.4
149.13263	7.8
151.14859	5.7
153.07132	1.8
153.12741	10.3
155.08559	8.0
156.09325	4.2
157.06519	3.0
157.10141	15.5
159.11635	2.3
165.06985	6.3
167.07048	5.4
167.08623	4.4
169.10178	4.3
170.07285	2.4
170.10924	6.2
171.08052	4.8
171.11688	5.1
177.16402	79.3
180.09325	6.5
185.07104	1.5
185.09644	23.0
185.13252	14.8
191.63866	1.1
195.06668	1.3
195.08330	5.0
195.10098	1.8
195.11726	12.8
195.17471	14.8
198.10411	1.9
213.05615	3.1
213.09248	16.5
213.12776	20.3
213.16481	2.6
213.18549	5.6
216.02234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58705	1.3
55.01857	3.2
55.05511	11.7
57.07063	3.7
61.57986	1.3
67.05495	5.7
69.03428	3.4
69.07069	19.9
71.02707	2.1
71.05001	3.7
73.13686	1.2
74.11808	1.3
79.05490	7.3
81.06584	1.8
81.07059	29.4
83.04961	1.4
83.08629	11.9
85.06530	5.5
91.05466	3.1
93.07052	18.9
95.08612	49.5
97.10184	11.2
99.08097	28.5
105.07040	4.8
107.08605	47.9
109.10166	12.4
111.08104	12.8
113.09653	3.6
119.08571	2.4
121.10152	71.9
123.11708	3.2
125.09643	8.0
135.11703	17.7
137.13275	10.1
138.09120	2.4
139.11194	3.3
142.07762	2.0
149.13222	5.8
157.10136	1.7
177.16402	100.0
178.16628	1.3
184.66054	1.4
195.11716	3.2
195.17476	10.9
208.37630	1.3
213.09096	1.8
213.12733	3.8
213.18524	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05514	16.2
57.03432	1.5
57.07074	5.7
59.50308	1.3
59.72990	1.4
65.67895	1.4
67.05507	11.3
69.03426	3.2
69.06778	1.7
69.07082	18.9
71.04996	4.6
71.15479	3.0
79.05502	13.5
81.07066	34.9
83.08620	18.7
85.02905	3.2
85.06553	9.0
91.05465	7.4
93.07055	27.7
95.04955	1.8
95.08613	64.0
97.06562	2.6
97.10170	8.3
99.08107	21.5
103.05476	3.6
105.07031	8.5
107.04955	14.9
107.08604	47.3
109.09463	1.9
109.10167	23.7
111.08094	13.2
113.09663	2.4
119.08600	3.4
121.10149	72.2
123.11695	5.2
125.09640	5.0
129.07005	2.2
135.08046	3.4
135.11728	16.9
137.13266	13.3
139.11192	6.5
141.07021	2.1
142.07788	2.4
143.08562	6.6
149.09673	3.1
149.13289	5.0
155.08569	3.8
156.09258	1.6
157.06555	2.0
157.10159	6.5
159.11714	1.6
163.07578	6.4
165.06996	3.0
165.16373	4.3
167.07065	21.5
167.08459	2.4
170.10931	2.1
171.08144	1.8
171.11681	2.4
177.16402	100.0
180.09386	3.2
185.13275	7.3
195.10164	3.5
195.11739	7.7
195.17456	14.3
200.79147	1.4
213.12762	11.1
213.18480	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.96065	0.9
53.03947	1.7
55.05514	16.3
57.07086	9.4
58.82607	1.2
59.05002	1.2
67.05513	14.5
69.03432	1.6
69.07073	26.3
71.04993	6.8
71.11749	2.3
79.05501	17.0
79.68195	1.2
81.06580	2.4
81.07063	50.0
83.08633	20.5
85.06553	11.7
90.70296	1.2
91.05487	7.1
93.07052	36.4
95.08615	85.8
97.10160	6.7
99.08114	8.1
105.07043	5.3
107.04974	2.2
107.08599	53.5
108.08897	1.3
109.10163	36.5
111.08093	4.6
111.11710	2.5
119.08599	2.2
121.10154	82.3
123.11697	10.9
125.09676	3.0
129.07010	1.4
135.11703	22.4
137.13268	15.2
139.11194	10.0
143.08580	3.3
146.71628	1.3
149.13264	6.5
151.14807	2.8
152.11693	1.3
155.08575	2.8
157.10103	2.7
165.07059	3.4
165.16403	7.8
167.07060	4.1
167.08485	1.4
167.12621	2.4
168.70183	1.4
171.08070	2.8
177.16399	100.0
180.09415	2.7
195.11772	5.9
195.17451	14.3
210.92526	1.5
213.12839	6.1
213.16553	2.1
213.18515	6.5
227.21750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.43862	0.9
53.03933	1.2
55.01866	2.0
55.05265	1.6
55.05512	20.6
56.48505	1.0
57.03440	1.2
57.07084	10.3
57.97971	1.0
61.86155	0.9
67.05177	1.8
67.05509	19.1
69.06728	1.9
69.07074	29.1
71.05007	5.5
71.08618	2.1
71.37183	1.0
71.37506	1.7
79.05496	18.8
81.07061	58.3
82.72332	0.9
83.04950	1.6
83.08150	1.3
83.08620	17.2
85.06554	12.7
85.10178	1.5
91.05484	8.1
93.07052	43.1
95.04978	1.1
95.08614	98.1
97.06531	1.6
97.10156	9.3
99.08098	9.2
105.07028	7.8
107.04946	1.5
107.08601	63.7
109.10158	37.1
111.08105	6.4
111.11742	2.1
113.09663	2.5
119.06189	0.9
119.08595	1.9
121.10149	85.9
123.11704	11.5
125.09622	3.2
125.13307	1.8
133.10057	1.3
135.11693	20.4
137.13271	14.9
139.11188	8.7
143.08633	1.3
149.13240	6.2
151.14818	1.8
151.90764	0.9
157.10051	1.2
165.16414	6.9
177.16399	100.0
183.17453	2.0
191.49950	1.0
195.11618	2.2
195.17484	11.0
211.09825	1.0
213.09106	2.6
213.12735	1.4
213.18492	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16404	0.9
53.03950	2.2
55.01878	1.3
55.05261	1.6
55.05514	21.3
56.66235	0.9
57.03436	1.8
57.07079	10.5
63.49387	0.9
65.03941	1.8
67.05511	22.4
68.15847	1.0
69.03416	1.4
69.07072	27.9
69.94213	3.1
69.94621	2.3
71.05000	5.4
71.08645	2.0
79.05497	20.7
79.64586	0.9
81.07062	60.5
83.04968	0.9
83.08631	21.5
85.06544	12.8
91.05481	6.5
93.07053	48.4
95.04975	1.0
95.08614	100.0
97.06536	1.7
97.10168	9.9
99.08106	9.8
105.07043	7.2
107.08603	67.2
108.08968	1.7
109.06535	1.7
109.10165	41.2
111.08080	6.8
111.11738	3.5
113.09659	1.7
119.08589	2.4
121.10153	85.3
123.08060	1.1
123.11707	12.5
125.09633	3.2
135.11703	26.4
137.13263	14.5
139.11201	7.7
142.07771	1.2
143.08517	2.0
149.13287	7.5
151.14754	1.6
153.12689	1.5
156.09384	5.8
157.10181	2.4
165.16429	8.2
170.10960	1.3
171.11702	14.0
177.16400	99.6
183.11719	2.8
183.17421	2.1
195.11638	1.2
195.17441	12.8
198.14059	2.1
213.12990	2.3
213.16423	53.3
213.18480	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	213.1275
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03945	1.8
55.01873	1.7
55.05511	2.9
57.90094	1.1
69.03433	18.2
69.51617	2.2
69.52014	7.6
71.04981	1.1
73.34610	1.1
79.05476	3.5
81.07000	1.3
91.05494	5.8
93.07031	3.9
95.04943	1.5
105.07027	8.2
107.04938	2.9
107.08611	1.6
115.05423	2.0
117.07031	1.5
119.08590	25.0
128.06227	13.0
129.07018	15.3
130.07828	1.1
131.08566	3.5
141.07005	10.3
142.07788	35.3
143.08565	44.4
144.09285	4.0
144.10413	1.1
145.06535	2.9
145.10161	6.6
152.06258	3.6
153.06998	5.8
154.07741	4.4
155.08560	27.5
156.09364	20.6
157.06555	6.4
157.10138	100.0
158.07248	1.6
158.10443	1.7
159.08066	3.8
159.11699	6.3
165.07002	37.9
166.07753	4.0
167.08563	7.9
168.09358	4.0
169.06491	1.5
169.10144	19.3
170.07237	2.4
170.10918	48.5
171.08052	12.9
171.11711	15.1
172.08818	2.7
178.07822	2.0
179.08553	6.3
180.09344	38.8
180.11772	1.5
183.08124	5.6
183.11642	6.2
184.08829	1.5
185.09711	10.2
185.13269	85.7
186.13536	2.7
193.09875	1.1
195.11702	74.1
196.11980	1.3
197.09605	1.9
198.06673	1.4
198.10434	13.6
213.09174	7.9
213.12752	82.9
213.16331	4.1
214.13141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1275
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01870	2.2
55.05515	2.8
57.03423	1.6
58.35902	1.3
69.03429	7.7
69.74399	5.3
69.74808	3.0
70.21614	1.3
77.03895	1.4
79.05477	2.8
83.04946	1.4
83.15322	1.2
91.05477	2.8
93.07035	3.3
105.07030	9.6
107.04934	1.5
113.20949	1.2
115.05455	1.3
117.06999	2.1
119.04912	1.4
119.08593	26.4
128.06227	11.1
129.06989	9.4
131.08565	4.3
141.07001	6.9
142.07790	19.3
143.08572	41.1
144.09293	2.7
145.06419	1.4
145.10100	6.8
153.06999	6.6
154.07816	2.7
155.08559	25.2
156.09340	10.0
157.06514	5.8
157.10143	46.4
158.07190	1.3
159.08072	3.1
159.11685	5.7
165.07016	38.2
165.31667	1.3
167.08583	8.0
168.09331	4.0
169.10147	22.8
170.10913	16.0
171.08064	12.3
171.11694	5.4
172.08801	1.6
179.08595	5.3
180.09351	34.8
181.09705	1.6
183.08083	3.2
183.11694	7.9
185.09616	5.3
185.13278	29.6
193.10141	3.1
195.11710	80.5
198.10396	6.8
213.12756	100.0
214.13020	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1276
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03947	1.7
55.01865	2.4
55.05524	5.1
57.03431	0.8
60.61749	0.8
67.05511	2.9
69.03429	5.1
69.07072	4.4
69.31441	0.8
70.96495	1.3
71.04992	1.7
75.88460	0.8
79.05491	5.1
81.03409	0.9
81.07064	4.6
83.04983	2.0
83.08642	1.3
85.06559	1.0
91.05479	6.7
93.07059	6.9
95.04995	1.7
95.08601	3.6
99.08089	2.1
103.05473	1.0
105.07026	17.3
107.04933	2.3
107.08617	4.1
109.10182	1.2
110.48859	0.7
115.05434	5.1
117.07020	4.2
119.04965	1.7
119.08581	8.5
121.06561	1.8
121.10153	4.8
128.05280	0.9
128.06236	29.2
129.07025	32.5
130.07835	1.3
131.08580	9.5
133.06462	0.8
135.11690	1.0
137.13193	0.8
141.07002	8.8
142.07794	19.8
143.08577	64.0
144.09303	3.1
145.06502	3.6
145.10132	4.6
152.06212	1.5
153.06999	5.7
154.07782	3.3
155.06001	2.3
155.08575	27.7
156.09375	10.5
157.06511	28.1
157.07773	1.8
157.10139	39.2
157.44054	0.9
158.07248	2.7
159.08052	2.4
159.11734	5.0
165.07022	33.5
166.07771	2.9
167.08562	10.5
168.09372	2.4
169.06454	1.2
169.10147	15.4
170.07225	1.8
170.10918	8.0
171.08069	29.0
171.11699	14.2
172.08824	1.9
177.16446	4.2
178.07779	1.1
179.08591	5.9
180.09358	30.9
181.09978	1.0
183.08109	4.3
183.11699	4.5
184.08868	2.6
185.07201	1.1
185.09673	16.3
185.13271	38.3
186.13431	0.9
193.10170	1.4
195.11713	71.1
195.17477	1.3
196.12035	1.4
197.09647	1.9
198.10429	10.3
213.09236	4.1
213.12766	100.0
213.16304	4.1
214.13133	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1275
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01868	5.0
55.05501	5.6
57.03423	2.0
67.05494	4.1
69.03432	9.6
69.07066	3.2
71.47311	2.0
72.12971	1.2
79.05498	6.5
81.07069	4.0
83.04985	2.3
90.41270	1.1
91.05478	6.3
91.60472	1.1
93.07039	7.8
95.04942	3.2
95.08606	2.8
103.05446	2.3
105.06398	1.4
105.07047	19.1
106.75040	1.1
107.04959	7.7
107.08581	3.9
108.60047	1.3
109.10155	2.3
113.27359	1.2
115.05470	4.1
117.06998	3.6
119.04945	2.6
119.08592	17.2
120.06811	1.3
121.06500	3.5
121.10122	2.9
128.06236	19.8
129.07028	20.5
131.08585	8.0
135.08038	2.0
135.11726	1.2
141.06999	10.8
142.07794	28.9
143.08569	63.3
144.09421	5.8
145.06512	2.5
145.10141	7.0
153.07034	8.0
154.07762	4.8
155.08575	35.1
156.09363	22.6
157.06596	6.9
157.10139	72.0
158.10579	1.4
159.08041	3.4
159.11736	8.3
163.07591	2.8
165.07011	49.4
166.07777	1.9
167.07045	10.9
167.08572	10.3
168.09377	4.2
169.10124	16.8
170.10942	25.6
171.08075	26.3
171.11676	16.6
172.08856	3.5
177.16394	4.8
179.08601	8.7
180.09349	39.7
183.08093	5.3
183.11639	6.0
184.08780	2.1
185.09782	8.5
185.13277	83.9
195.11719	83.8
195.13113	1.7
197.09570	1.7
198.10425	10.8
213.12759	100.0
214.13196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1276
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
52.86535	0.9
53.03927	1.6
55.05518	5.9
57.03415	1.9
67.05497	1.4
69.03423	4.1
69.07104	1.0
71.14951	1.2
71.15285	1.5
79.05474	3.5
81.07046	1.8
83.04987	2.6
91.05492	8.5
93.07047	8.1
103.05498	1.3
105.06377	1.7
105.07039	20.3
107.08587	2.3
115.05391	2.1
117.06994	2.6
119.04964	1.4
119.08579	8.3
121.06512	2.5
127.98395	1.0
128.06229	21.3
129.07024	17.7
130.07739	1.3
131.08559	7.2
133.06503	1.5
141.07014	9.2
142.07782	23.6
143.08571	53.3
144.09288	3.1
145.06461	2.5
145.10120	3.6
152.06134	1.1
153.07011	5.1
154.07756	3.3
155.07399	1.5
155.08578	22.7
156.09360	14.3
157.06548	7.5
157.10136	52.3
158.07272	1.9
159.08080	3.6
159.11710	15.0
165.07010	31.8
166.07710	1.6
167.08575	9.4
168.09344	4.8
169.06438	1.1
169.10141	13.6
170.10948	13.3
171.08069	24.5
171.11667	9.2
172.08824	2.4
178.07817	1.6
179.08580	4.9
180.09358	35.3
182.93022	1.1
183.08134	5.6
183.11714	4.5
184.08850	2.7
185.09689	7.4
185.13264	43.4
193.10184	1.2
195.11713	61.7
196.11929	2.1
198.10429	13.2
213.12755	100.0
214.13113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1275
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
50.95549	1.1
51.79098	0.9
55.01871	2.0
55.05495	3.1
57.03419	1.7
63.42044	1.0
69.03426	2.6
71.04993	1.4
71.46535	1.2
76.27835	1.1
81.07051	1.0
91.05467	3.0
93.07037	1.9
105.07036	12.6
111.74164	1.2
111.74959	1.0
112.54810	0.9
115.05418	2.7
117.07018	2.5
119.04974	1.0
119.08567	8.6
128.06216	11.2
129.07004	10.0
131.08574	3.4
141.06981	3.6
142.07791	11.1
143.08568	40.7
144.09198	1.2
145.06493	2.2
145.10126	7.9
152.06250	1.3
153.07019	4.0
154.07797	2.7
155.06006	1.2
155.08569	29.7
155.43710	1.2
156.09325	3.5
157.06523	10.8
157.10132	25.7
158.07272	1.8
159.08067	4.1
159.11693	2.9
165.07010	46.4
166.07689	3.1
167.08598	9.2
169.10129	16.0
170.10924	4.7
171.08054	21.9
171.11697	4.2
172.08813	1.0
178.07802	1.5
179.08597	7.7
180.09343	52.5
183.08084	2.2
183.11710	1.5
185.09720	5.0
185.13252	15.9
193.10056	1.9
195.11703	100.0
196.12003	2.7
198.10432	3.0
213.12755	63.3
214.13005	1.2
225.54527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1275
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01864	2.1
55.05499	4.8
69.03419	5.9
70.37035	3.4
70.37425	3.3
79.05511	1.3
81.07043	2.2
82.44787	1.4
83.04963	2.3
91.05481	4.1
93.07032	7.1
98.20860	1.8
100.12807	1.6
105.07034	14.4
113.49450	1.3
115.05511	2.0
119.08613	12.0
121.06522	2.2
128.06218	15.8
129.07048	10.7
131.08575	3.4
141.06992	6.3
142.07805	21.6
143.08572	50.3
144.09258	1.8
145.06508	2.4
145.10130	5.6
152.06140	1.7
153.07065	7.7
154.07706	2.3
155.08565	25.2
156.09375	13.9
157.06473	5.9
157.10146	53.0
159.08112	2.2
159.11668	4.9
165.07024	45.1
167.08539	7.6
168.09332	4.5
169.10133	17.0
170.10938	18.4
171.08060	21.5
171.11685	8.0
178.07712	3.3
179.08588	7.7
180.09352	47.6
181.09737	1.7
183.08067	5.8
183.11717	6.6
185.09686	4.5
185.13281	40.4
195.11719	100.0
198.10400	7.6
213.12758	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1275
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.95797	0.9
55.01874	1.4
55.05504	2.6
56.53358	0.7
56.83078	0.8
57.03429	1.0
63.27901	0.8
67.05482	0.8
67.75786	0.8
69.03425	4.3
71.30127	1.0
75.10331	0.7
76.64928	0.7
79.77431	0.8
81.07025	1.2
83.04972	0.9
91.05489	1.5
93.07051	1.9
105.07027	8.4
106.83482	0.9
117.75194	0.8
119.08582	4.4
122.64648	0.9
124.03316	0.8
128.06238	8.6
129.07019	6.7
131.08556	3.6
141.07002	3.3
142.07791	12.2
143.08578	32.1
143.09697	2.0
145.06496	2.4
145.10123	2.8
153.07037	2.6
154.07767	1.3
155.08569	13.5
156.09406	5.7
157.06532	7.0
157.10146	27.2
158.07219	1.0
159.08043	5.0
159.11682	1.8
165.07022	23.9
166.07639	1.3
167.08597	5.0
169.10155	7.7
170.10924	4.9
171.08057	15.1
171.09482	0.8
171.11665	2.6
172.08650	1.0
178.07715	0.9
179.08594	3.9
180.09351	27.7
183.08057	3.0
183.11681	1.2
185.09662	3.1
185.13277	11.1
193.10042	1.0
195.11719	59.2
198.10440	3.5
202.62633	0.9
213.12758	100.0
214.13062	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1276
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03936	0.9
55.01855	1.2
55.05510	5.0
59.24308	0.9
67.05520	1.1
69.03426	2.7
69.07064	1.3
69.29996	0.8
69.37772	3.5
69.38195	3.5
79.05488	3.8
81.07068	1.0
83.04985	1.5
86.10766	1.1
91.05495	5.3
93.07043	6.5
93.30780	0.9
95.04951	2.0
103.05447	0.8
105.07031	12.7
107.05019	0.9
107.08530	0.9
115.05509	2.3
117.06996	2.1
119.08604	6.6
121.06484	2.5
128.06223	17.7
129.07001	15.7
131.08604	5.6
133.06418	0.9
141.06972	6.2
142.06778	1.1
142.07805	18.4
143.08575	42.6
144.09341	3.0
145.06509	1.9
145.10123	5.1
152.06239	1.1
153.06992	3.5
154.07771	3.0
155.08580	19.3
156.09363	9.9
157.06537	5.5
157.10138	36.0
158.07298	1.6
159.08047	3.2
159.11700	9.7
165.07027	24.7
166.07770	1.6
167.08559	5.7
168.09358	2.3
169.10143	10.0
170.10927	10.6
171.08061	27.3
171.11703	8.0
172.08824	3.1
178.07750	1.5
179.08592	3.5
180.09357	26.5
183.08054	6.1
183.11749	3.2
184.08865	2.3
185.09772	4.8
185.11592	2.0
185.13271	41.0
186.13684	1.0
189.09116	0.8
189.82793	0.9
193.10162	1.0
195.11713	52.0
196.12125	1.9
197.09683	1.8
198.10417	11.1
213.12756	100.0
214.13081	2.0
231.10349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1274
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03933	1.4
55.01868	2.6
55.05486	4.2
57.03427	1.3
62.79188	1.5
69.03077	1.7
69.03429	22.4
71.11755	3.1
79.05487	4.8
91.05474	2.5
93.07021	4.0
102.59621	1.5
105.07018	10.4
107.04994	1.6
115.05423	2.1
117.07034	1.5
119.08578	27.8
121.06469	1.9
122.77294	1.2
128.06218	12.0
129.06987	12.1
131.08543	4.6
141.06992	11.5
142.07782	41.9
143.08565	47.8
144.09322	4.9
145.10150	7.4
151.03569	1.3
152.06285	2.0
153.06992	5.7
154.07764	4.7
155.08553	29.9
156.09357	24.7
157.06464	4.9
157.10130	100.0
159.07999	2.9
159.11671	6.1
165.05588	2.1
165.06992	42.6
166.07710	2.4
167.08577	7.9
168.09329	6.7
169.10127	25.6
170.10905	52.7
171.08072	12.8
171.11705	14.2
172.08856	3.0
179.08569	7.3
180.09334	45.7
183.08086	7.6
183.11655	6.2
185.09763	9.6
185.13260	87.4
193.10185	1.7
195.11691	75.3
196.11978	2.0
197.09598	1.8
198.10400	25.7
202.23051	1.5
213.09203	4.0
213.12733	97.7
213.16125	2.8
214.13072	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	213.1275
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
55.01855	1.7
55.05502	6.0
58.67427	1.7
61.18901	1.5
63.87307	1.6
69.03426	2.2
69.72376	1.5
71.35492	3.2
72.47414	1.5
79.05494	4.0
80.26038	1.5
81.07061	2.8
83.04971	1.4
87.48965	1.5
89.82626	1.5
91.05481	7.3
93.07055	5.6
105.07034	19.8
107.08611	2.2
115.05463	3.2
117.07011	5.7
119.08562	7.5
124.32507	1.6
128.06230	18.8
129.06044	2.7
129.07013	40.1
129.70404	1.9
131.08578	8.5
141.06973	12.2
142.07803	21.5
143.08571	54.6
144.09346	2.8
145.06505	3.1
145.10143	3.9
152.06267	2.2
153.07005	7.2
154.07771	2.7
155.08578	29.3
155.09796	1.2
156.09380	13.3
157.06544	10.4
157.10139	45.1
159.08069	5.9
159.11710	35.7
165.07022	36.3
165.66147	1.8
166.07721	2.2
167.08640	10.8
168.09320	5.2
169.06551	1.9
169.10181	14.5
170.10880	17.3
171.08073	21.5
171.11720	9.5
172.08743	3.1
179.08588	5.6
180.09360	39.4
181.09830	1.7
183.08075	2.1
183.11705	5.2
185.09662	6.2
185.13274	42.7
195.11717	85.5
196.11948	2.0
198.10405	6.9
213.12773	100.0
214.13060	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03930	0.5
55.01862	0.5
55.05502	0.6
60.79469	0.4
65.03954	0.4
67.05502	0.9
69.03423	1.0
69.07069	1.0
69.97450	2.3
71.04992	0.7
72.08131	0.5
78.04706	0.7
79.05500	4.4
81.07054	1.9
85.86176	0.5
88.07616	0.5
91.05478	5.8
92.06210	0.6
93.07062	2.8
94.04198	0.4
95.04952	2.3
95.08606	1.6
98.97545	0.8
103.05482	3.7
104.06237	1.8
105.03387	1.0
105.07047	5.9
107.04955	5.1
107.08589	1.7
109.06512	1.8
109.10166	0.5
111.08103	0.5
113.09641	0.4
115.05467	0.5
117.06995	0.5
118.04147	0.7
119.04958	3.0
119.08604	0.5
120.05737	1.9
121.06516	6.2
121.10139	1.5
122.07288	0.9
123.04417	0.9
123.08060	0.9
125.09641	0.5
128.06227	0.4
129.06985	1.0
131.04932	1.6
132.05688	1.1
133.02861	8.6
133.06517	5.1
133.07465	0.8
134.07275	1.3
135.04439	4.6
135.08049	2.7
135.11655	1.0
137.05989	6.2
137.09648	0.7
138.09129	0.5
140.04767	0.5
141.06921	0.6
142.07794	1.2
143.08563	1.7
147.04376	1.1
148.05200	2.6
149.06001	10.3
150.06793	7.1
151.01234	0.5
151.07536	4.1
152.04819	0.7
152.06151	0.6
152.08315	0.7
155.06981	0.4
155.08600	0.8
157.06429	0.6
157.10159	1.5
159.08246	0.5
161.05949	1.0
162.06772	2.7
163.03970	0.5
163.07567	5.1
164.08356	14.0
165.05493	33.2
165.09119	1.4
167.07072	6.1
167.08455	0.9
169.10062	0.6
171.08018	0.6
171.11699	0.4
177.16348	1.3
179.07028	0.9
180.07831	44.4
185.07130	1.4
185.09586	0.7
185.13281	1.4
195.10184	100.0
196.10497	1.1
213.06873	0.6
213.09081	2.6
213.11172	1.9
213.13028	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57637	0.7
53.03944	3.1
53.30321	0.7
55.01860	1.1
55.93531	0.8
65.03943	1.9
67.05507	1.8
67.52781	0.7
69.07050	0.7
69.92205	3.9
70.06590	1.6
76.23536	0.7
77.03904	0.8
78.04715	1.8
79.05496	8.1
89.03875	1.9
91.05485	1.4
93.07087	1.2
95.04980	9.1
97.02892	0.9
98.21442	1.4
105.04494	1.5
106.04153	1.3
107.04961	65.1
108.05304	0.8
110.03667	1.0
111.04430	1.2
120.02107	1.2
121.94162	0.7
123.04433	12.4
125.02359	6.7
125.06017	1.0
128.62585	0.7
135.04417	19.3
137.05984	1.1
139.03893	2.1
140.04691	100.0
141.05171	1.1
143.08549	0.9
145.03984	4.8
145.04984	0.8
149.09566	1.5
150.43387	0.8
151.03955	2.7
152.04628	0.9
153.05467	1.0
155.07045	57.4
156.07419	0.9
156.09367	0.8
157.10229	0.8
163.03915	49.3
164.04343	1.0
165.07022	1.8
167.03365	1.6
167.07065	21.0
173.08086	4.2
181.04993	3.3
195.06520	7.2
195.11723	2.6
213.05675	1.3
213.07571	8.0
213.12837	2.6
214.10832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08710	0.2
53.03954	0.5
53.80224	0.2
55.01857	0.8
55.05511	0.8
56.05030	0.3
56.46708	0.2
56.96569	4.4
57.03450	1.6
59.04990	0.4
61.02905	0.7
65.03941	1.3
67.05489	0.9
69.03432	2.3
69.07068	1.6
70.06580	1.2
71.04980	0.6
71.55296	0.4
72.08144	0.3
72.64410	0.3
72.93774	0.4
73.02922	3.6
73.06560	0.3
74.06063	1.1
78.04670	0.3
79.05503	0.8
80.05016	0.3
81.03404	0.8
81.07049	0.6
82.06579	0.5
83.04944	0.6
84.04504	0.5
84.08134	1.1
84.96019	0.4
85.02898	1.6
85.06541	0.4
86.03700	0.4
87.04441	0.4
91.05486	30.3
92.04974	0.3
92.05795	0.5
93.03419	0.4
93.07046	0.5
94.06551	0.7
95.04366	0.4
95.04975	6.3
95.08569	0.3
96.08128	0.6
97.02885	2.2
98.02390	0.4
98.97589	5.2
99.04494	0.3
103.05463	0.6
105.07030	0.6
106.07403	0.6
107.04956	0.9
109.02872	0.7
109.10159	0.3
110.02414	1.5
110.97572	1.5
111.04437	0.9
112.07603	3.0
112.99202	0.3
115.03929	0.3
116.98627	3.1
119.01836	0.8
119.04948	24.9
120.08121	0.4
121.06541	0.3
122.06013	0.5
122.06840	0.4
123.04434	0.8
123.08060	1.1
124.03943	0.3
124.04762	0.8
124.07567	0.6
127.03922	0.6
128.02283	0.6
128.98575	2.3
131.00166	0.4
133.02953	0.2
134.99635	0.9
136.05206	3.7
136.07553	0.5
137.05980	3.9
138.06349	0.9
139.03894	1.1
140.02332	0.6
140.04660	1.2
143.00195	0.4
143.01825	0.5
145.01666	0.3
146.99667	1.9
148.07596	1.3
148.97298	0.3
150.05446	0.6
150.09123	0.3
151.07549	100.0
152.02252	0.3
152.06866	0.4
152.07892	1.1
153.05341	0.3
155.04649	1.9
155.07001	0.3
157.10197	0.3
158.06631	2.5
158.99673	0.9
161.01227	0.7
162.05408	0.3
162.99178	0.5
163.04060	0.3
164.02332	1.6
164.05212	0.3
164.52493	0.3
164.97711	0.3
165.00690	0.3
166.04950	2.2
166.06041	0.3
166.08641	2.5
167.07025	2.3
168.07401	9.2
169.09787	0.3
170.03371	0.4
170.99733	0.3
173.01350	0.4
173.02846	5.5
173.52940	0.4
174.03488	0.3
176.07790	2.2
177.00726	1.4
177.05646	0.3
180.03609	1.0
182.03325	0.3
182.10487	0.4
184.09674	2.0
184.12088	0.3
184.53677	0.3
188.07719	1.9
188.92380	0.3
189.00769	1.1
189.04178	0.9
191.03882	0.9
194.04529	1.2
194.08185	2.1
194.10399	0.3
194.99745	0.3
195.06477	0.5
195.11745	0.5
200.04398	0.5
201.00786	0.5
207.01755	0.5
212.05725	0.6
212.07533	4.3
212.09283	2.0
212.12851	10.1
213.05521	0.4
213.07576	0.4
213.12874	0.4
214.96417	0.4
219.01826	0.9
230.08739	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	212.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05516	2.9
56.05008	0.3
56.05802	0.6
57.07083	3.0
58.07367	0.4
65.03889	0.4
67.05510	6.6
68.02272	0.3
68.04987	1.2
68.05803	1.1
69.03397	1.1
69.07074	4.1
70.03745	0.5
70.06554	1.5
70.07377	0.8
71.04959	1.4
71.57715	0.4
71.69757	0.4
79.05498	3.7
80.05821	0.4
81.07063	33.2
81.13083	0.3
82.06544	0.4
82.07407	1.8
83.04973	0.6
83.08622	0.8
84.05254	0.6
84.08913	0.4
85.02882	0.5
85.06509	0.6
87.04448	0.9
91.05458	1.3
93.07056	2.6
94.06557	0.9
94.07336	0.9
95.04971	0.9
95.07325	0.5
95.08613	9.1
96.04450	0.5
96.05273	0.5
96.08109	1.5
96.08942	3.2
97.06536	2.6
97.10140	1.0
98.06063	0.6
98.09711	0.4
98.10450	0.4
105.06999	1.1
106.07355	0.7
107.04947	1.1
107.08611	2.0
108.08125	0.8
108.08908	1.7
109.06477	1.0
109.08913	0.9
109.10145	3.5
110.06006	0.6
110.06772	0.4
110.09655	2.5
110.10479	3.0
111.08064	0.8
119.06091	0.5
119.08570	0.9
120.08910	2.2
121.10132	2.7
122.09667	0.5
122.10476	0.6
123.04433	0.9
123.08058	0.6
123.11715	21.5
124.04760	1.1
124.07604	21.2
124.08414	1.0
124.11197	0.9
124.12058	1.0
125.09622	1.0
126.09190	0.6
126.09964	1.9
131.08572	0.4
133.10103	0.4
134.10448	1.2
135.11678	1.5
136.07579	0.8
136.12025	3.2
138.09122	4.3
138.09991	0.5
138.12775	5.7
139.11224	0.4
140.10713	12.1
143.08499	0.4
148.11191	1.1
149.09590	0.4
150.13574	0.6
151.09900	0.3
152.07933	0.8
152.10683	0.8
152.15157	0.8
156.03752	0.6
157.10182	0.4
163.07648	0.4
165.07051	0.5
166.08578	2.0
166.12289	100.0
167.07048	1.8
167.12651	1.3
168.07629	0.4
169.06578	0.3
170.05751	0.8
171.06142	1.4
176.10747	2.5
176.15184	1.6
180.07394	3.1
182.10475	0.6
184.09727	1.7
184.13400	0.8
194.11800	11.5
194.16275	1.6
195.11774	0.8
197.06030	0.4
206.63022	0.4
212.08253	0.7
212.12878	19.1
212.17213	2.0
213.12909	0.7
219.50816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39881	1.8
55.01880	1.8
55.05511	25.1
57.03440	4.4
57.07067	3.9
59.04979	3.9
59.78351	1.9
67.05506	44.5
69.03419	6.9
69.07064	15.9
70.45111	4.5
70.45466	3.8
71.04988	7.8
79.05491	14.2
81.03405	2.1
81.07062	39.9
83.04981	14.4
83.08620	11.6
85.06538	11.0
91.05486	13.9
93.07061	19.8
94.04192	2.4
95.04979	6.3
95.08610	75.7
97.06535	7.7
97.10183	2.5
99.08082	4.0
101.05997	2.6
102.53366	1.8
105.07029	20.3
107.08603	27.5
109.06530	12.5
109.10162	100.0
111.08092	29.5
113.06046	2.1
113.09645	2.6
115.07573	8.3
119.07706	2.1
119.08577	40.8
121.10144	20.7
122.07322	1.9
123.08071	28.3
123.11717	16.1
125.09602	8.3
127.11086	1.8
133.10138	40.9
135.11693	43.4
137.04901	1.8
137.05984	46.1
137.09618	93.1
137.13263	3.4
138.10390	6.1
139.11153	3.7
142.07730	2.2
147.04424	3.8
147.08076	2.6
147.11739	10.1
149.13258	12.6
150.10318	2.4
151.07529	4.3
151.11195	5.5
151.14827	8.0
153.06992	3.0
155.08562	6.6
157.10139	4.6
163.14803	2.0
165.09103	2.2
165.12791	5.8
165.16367	3.0
166.07726	2.0
167.07086	3.5
168.09317	8.1
169.10086	3.1
175.14828	47.4
179.07036	4.7
181.10187	6.1
183.07996	2.4
183.11696	5.3
193.10115	8.2
193.15903	52.6
193.17650	3.0
196.08865	3.4
211.07770	3.4
211.09598	4.3
211.11362	11.9
211.14890	4.9
211.16917	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.94079	1.1
52.99489	1.2
55.05307	1.0
55.05515	14.1
57.07069	4.7
59.05001	2.6
67.05173	2.1
67.05509	34.2
69.03439	8.6
69.06726	1.4
69.07074	16.6
69.75094	5.3
69.75513	2.7
71.04986	3.6
71.08633	1.7
79.05495	7.3
81.07063	33.2
83.04983	13.7
83.08618	10.1
85.06538	3.5
91.05500	5.2
93.07040	13.1
95.04949	2.7
95.08614	48.1
97.06510	2.4
97.10178	2.5
98.20781	1.7
99.08099	4.2
105.07049	8.9
107.08603	29.7
109.06536	12.6
109.10167	100.0
111.08081	4.0
113.09644	3.0
119.08598	25.3
121.10137	12.6
123.08069	13.5
123.11689	9.2
133.10149	18.6
135.11705	74.6
136.12009	1.4
137.05972	1.5
137.09631	18.5
138.10370	2.4
138.87671	1.2
139.11188	3.1
142.07779	1.5
143.08571	1.3
149.13274	5.9
151.11185	11.2
151.14799	11.1
153.06964	3.1
153.12708	4.1
155.08577	3.5
157.10159	7.1
163.14723	2.3
165.07071	2.9
165.16428	2.5
166.07779	2.3
167.08556	2.1
168.09399	6.9
175.14819	23.6
181.06464	2.4
181.10075	6.1
183.11757	7.9
193.10170	8.1
193.15892	17.8
196.08894	3.9
211.11218	11.9
211.16942	4.9
224.98018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.57297	2.5
55.01862	6.8
55.05516	33.3
57.03423	14.5
57.07073	17.7
59.04981	4.5
67.05505	46.1
67.06456	2.3
69.03429	8.1
69.07067	45.4
71.04995	23.1
76.80029	2.3
79.05499	16.7
81.03409	2.8
81.07062	62.6
83.04986	25.3
83.08614	15.8
85.02917	16.7
85.06544	20.5
91.05485	15.6
93.07049	43.7
95.04971	11.6
95.08610	100.0
97.06516	9.6
97.10175	8.4
99.04459	7.4
99.08114	3.1
105.07024	23.8
107.08604	50.7
109.06511	20.2
109.10156	66.7
111.08085	10.7
111.11716	3.1
113.06020	8.1
119.08592	46.4
121.10165	20.7
123.04460	3.2
123.08047	13.0
123.11710	27.6
125.09627	10.5
133.10138	23.2
135.11696	69.6
137.06036	2.9
137.09610	23.5
141.09093	2.6
144.70074	2.7
147.11719	5.6
149.13298	9.6
151.07521	4.4
151.11211	3.1
151.14842	10.9
153.07018	4.4
153.12727	7.9
155.08636	5.5
155.10651	13.8
157.10178	3.5
163.14830	7.4
165.16377	7.7
167.07079	9.9
167.08517	5.1
168.09360	4.1
175.14813	37.0
175.16258	2.8
179.07008	8.3
181.10077	5.6
183.11699	6.7
193.10150	6.0
193.15884	26.8
211.11258	6.9
211.16946	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	1.6
55.01864	2.7
55.05517	18.3
57.03419	3.1
57.07053	3.2
59.04980	2.2
60.59597	0.8
65.03929	1.8
67.05509	27.9
69.03432	11.5
69.06721	1.1
69.07072	15.3
71.05005	6.5
71.56236	1.0
71.56626	1.4
79.05497	10.8
81.03426	9.1
81.07063	30.4
83.04991	18.1
83.08623	15.7
85.06554	6.8
91.05485	8.0
93.07055	16.1
95.04970	5.8
95.08613	100.0
97.02908	2.3
97.06506	3.8
97.10139	3.5
98.43519	0.9
99.04439	2.2
99.08073	3.6
101.06010	1.9
105.07041	12.6
107.04940	1.0
107.07879	1.0
107.08604	20.1
109.06510	4.1
109.10163	40.2
111.08091	5.2
113.08833	0.8
113.09650	1.4
115.05428	1.1
115.07590	4.8
117.06972	1.0
119.08601	12.4
121.10146	9.0
122.03636	1.1
123.04423	0.9
123.08027	3.1
123.11733	8.1
125.09643	5.0
127.07568	1.5
127.11153	2.8
129.06975	2.7
131.08548	1.8
133.06522	1.2
133.10138	11.9
135.10709	1.2
135.11703	18.1
137.05988	12.6
137.09636	7.3
137.13242	2.1
139.11154	4.1
141.06982	6.1
142.07808	4.4
143.08577	2.0
147.04427	1.4
147.08011	1.1
147.11725	4.8
149.05989	1.0
149.13295	6.5
151.07481	1.5
151.11188	4.6
151.14804	2.5
152.06151	1.5
153.07008	9.3
153.12746	2.5
154.07744	1.4
155.08568	15.9
157.10149	12.9
163.14845	12.2
165.07036	5.2
165.16415	2.6
166.07730	4.8
167.07021	6.3
167.08540	6.5
167.14247	2.7
168.05611	1.0
168.09363	15.5
169.06473	1.7
169.10172	8.4
175.11156	2.0
175.14857	15.9
178.07762	6.3
179.06987	2.5
181.06541	4.8
181.08681	1.3
181.10129	12.9
181.15826	2.7
182.06966	1.0
182.10724	0.8
183.08089	2.4
183.11716	21.3
193.04953	1.2
193.10172	19.3
193.12148	3.4
193.14189	1.3
193.15897	18.2
195.08069	1.5
196.08842	8.3
196.12308	1.2
211.05772	1.1
211.07541	3.3
211.11272	31.4
211.13219	2.3
211.14893	7.3
211.16904	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.11485	2.6
55.01865	3.6
55.05520	20.4
57.03433	4.5
57.07077	5.4
59.04991	8.7
61.77095	2.9
67.05515	23.6
69.03423	9.4
69.07080	25.5
71.04987	17.3
71.26320	5.4
79.05499	12.0
81.03408	3.5
81.07068	38.1
83.04992	21.8
83.08621	8.3
85.06551	3.1
91.05489	16.6
93.07063	33.2
95.04970	8.6
95.08611	54.9
97.02897	4.2
97.06522	6.4
99.04467	18.6
99.08083	7.1
101.08918	2.6
105.07048	24.3
107.04943	4.0
107.08601	42.0
109.06536	6.4
109.10158	78.9
111.08080	8.8
113.09644	10.4
114.34406	2.5
115.07554	3.8
119.04948	7.5
119.08589	69.7
119.22569	2.5
121.10171	15.6
123.08050	6.1
123.11687	17.4
125.09639	7.8
125.87315	2.9
133.10141	100.0
135.11705	47.2
137.05954	8.3
137.09628	30.1
137.13229	3.2
147.04459	3.4
147.11688	7.4
149.13341	3.3
151.07588	4.5
151.11172	3.4
151.14859	2.7
153.12680	6.3
155.10698	8.4
165.16446	13.2
167.07114	6.5
168.09338	4.4
175.14835	90.1
183.11697	5.9
193.10173	3.3
193.12241	3.1
193.15887	18.0
195.08565	2.6
211.07602	4.1
211.11182	5.6
211.16954	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	2.1
55.01878	3.5
55.05511	18.1
57.03432	4.1
57.07062	4.8
59.04991	3.6
67.05508	39.1
67.05873	1.9
69.03431	13.8
69.07069	20.6
71.05007	5.5
71.08615	1.8
71.56229	1.2
77.03943	1.4
79.05499	11.2
81.03408	6.8
81.07059	40.5
83.04988	18.0
83.08620	11.2
85.06544	7.2
91.05482	14.8
93.03448	1.4
93.07053	19.4
94.04139	1.3
95.04974	9.9
95.08614	66.1
97.06527	3.8
97.10172	4.2
99.04450	1.4
99.08096	4.8
102.28300	1.2
103.05514	1.6
105.07033	16.1
107.04983	1.4
107.08597	28.7
109.06529	15.5
109.10160	100.0
111.08083	6.9
113.09680	2.2
113.92315	1.2
115.05459	1.7
115.07572	3.6
117.07018	2.3
119.04945	3.3
119.08582	30.9
121.06535	1.5
121.10155	15.1
122.03661	2.4
123.04486	1.3
123.08082	14.4
123.11707	14.0
125.09634	3.7
128.06241	1.7
129.07027	3.9
130.39493	1.3
131.08505	1.5
133.06454	1.2
133.10136	23.2
135.08141	1.3
135.11694	70.5
136.12080	1.4
137.05984	33.8
137.09607	28.6
137.10583	2.0
138.10425	1.8
139.11168	3.1
141.06985	10.6
142.07751	7.9
143.08575	4.7
147.04390	4.2
147.11697	5.0
149.13257	5.7
151.03888	2.1
151.07553	3.4
151.11186	9.7
151.14830	9.8
152.06221	2.7
153.05725	1.9
153.06993	17.6
153.12814	1.8
154.06398	1.1
154.07765	4.1
154.49638	1.0
155.08568	29.2
157.10135	22.2
163.14883	1.9
165.05637	2.0
165.07011	6.1
165.09161	1.5
165.12663	1.6
165.16428	7.5
166.07794	5.9
167.03780	1.1
167.07056	12.5
167.08585	13.4
168.05690	1.3
168.09364	33.0
169.06441	1.5
169.10129	12.4
175.11198	1.2
175.14839	26.2
178.07780	12.6
179.07001	4.9
179.08427	1.5
181.06519	11.0
181.08521	1.4
181.10129	25.0
181.11771	1.4
182.07219	2.1
182.10738	1.6
183.08110	4.3
183.11693	35.7
192.36559	1.1
193.10155	33.0
193.12111	2.3
193.15894	28.1
195.08104	2.9
196.08853	14.9
196.12498	2.0
210.76787	1.3
211.05881	1.7
211.07640	6.1
211.11206	59.4
211.14862	6.9
211.16946	9.8
212.11511	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.71714	0.9
55.05521	9.5
57.03440	1.5
57.07069	3.2
59.04987	3.5
61.41329	0.9
67.05177	1.1
67.05512	16.2
67.22118	0.8
69.06721	1.2
69.07073	14.9
71.04995	5.8
71.08593	1.0
71.10104	2.0
74.84042	0.9
79.05503	5.5
81.07066	24.5
83.04980	1.8
83.08631	8.4
85.06545	4.0
91.05467	3.5
93.07050	13.1
95.04980	2.1
95.08615	100.0
97.06514	3.5
97.10158	1.6
99.04485	1.0
99.08089	2.4
101.06008	2.2
105.07018	4.4
107.08601	17.3
109.06538	1.4
109.10167	34.9
111.08076	2.9
111.96129	0.9
115.07597	6.2
117.06936	0.9
119.08597	9.6
121.10143	9.4
123.08083	3.7
123.11713	11.1
125.09641	2.0
133.09250	1.2
133.10146	10.2
135.11713	21.6
137.09613	7.2
137.13213	1.6
139.11154	3.8
141.12726	1.1
147.11688	2.5
148.03436	0.9
149.13283	5.4
151.11211	2.6
151.14810	2.1
153.12781	2.0
163.14824	12.3
165.16406	3.0
167.07111	1.3
167.14375	1.1
175.14847	20.3
181.10089	1.2
181.15910	4.0
193.15926	19.5
204.68652	0.9
211.11296	1.4
211.16953	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01875	4.3
55.05518	29.5
57.03439	7.6
57.07070	8.4
57.12342	1.9
64.92810	2.0
65.03924	2.3
67.05509	36.6
68.19632	2.0
69.03431	4.4
69.07072	23.0
69.92416	10.3
69.92767	2.0
71.04997	13.0
77.03888	2.0
79.05500	15.6
81.07063	57.1
81.58215	2.3
83.04993	26.3
83.08637	16.7
85.06556	8.5
91.05496	12.9
93.07056	52.4
95.04970	6.6
95.08615	80.1
97.06532	6.6
97.10188	3.6
99.08097	10.3
99.27586	2.0
105.07041	20.3
107.08608	64.3
109.06544	10.0
109.10166	100.0
111.08085	28.0
113.09664	2.3
119.07789	3.8
119.08592	47.1
121.10159	31.1
123.04427	2.5
123.08102	26.3
123.11730	25.6
125.09631	7.0
127.11230	2.1
133.10144	46.9
135.11705	88.0
137.09622	57.2
137.13231	3.0
138.10454	5.6
139.11188	2.3
147.11696	8.9
149.13277	18.4
151.11182	9.1
151.14795	6.6
153.12788	3.9
155.08725	2.5
163.14845	54.9
165.12778	5.9
165.16380	2.7
167.08551	3.2
167.14354	8.4
168.09357	2.8
169.10143	2.8
175.14841	51.4
181.10123	3.3
181.15929	6.7
183.11604	2.2
183.15764	2.9
193.15886	40.7
211.07671	2.5
211.11266	5.4
211.15059	3.7
211.16945	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
54.93528	0.5
55.01869	0.6
55.05512	6.9
57.04961	0.5
57.07079	0.7
67.05505	2.6
68.28819	0.5
69.07074	1.2
69.69669	2.3
71.04998	35.8
71.65929	0.5
75.37849	0.4
77.02194	0.5
77.65234	0.4
79.05501	6.6
81.03400	2.1
81.07059	7.6
83.05005	1.3
85.06551	3.5
91.05486	3.9
92.71294	0.4
93.07047	7.2
95.04958	1.4
95.08623	2.7
97.06539	1.6
97.10175	0.9
98.21480	0.8
99.04461	100.0
100.04800	0.7
101.06004	0.9
105.07033	3.6
107.08596	3.2
109.06519	4.4
109.10180	1.0
115.05456	0.5
115.38610	0.5
119.04921	2.8
119.08566	2.7
121.10196	1.2
122.03662	1.1
123.04431	0.8
123.08063	0.6
123.11684	1.4
127.03916	1.5
127.07565	9.8
128.07968	0.4
129.06993	0.9
133.06497	0.7
133.10138	5.5
135.11697	14.7
136.67641	0.4
137.05981	18.8
137.09630	0.6
139.11221	0.7
141.07024	1.5
142.07777	2.7
143.08575	1.2
145.10167	0.4
147.04384	3.1
147.11671	1.0
149.13284	0.7
151.07527	2.1
153.06976	4.0
154.07709	0.8
155.03439	2.8
155.08577	5.5
157.10143	11.0
165.06987	1.9
166.07813	2.7
167.08575	5.4
168.09346	8.5
169.10135	1.6
170.05760	10.4
175.14828	5.9
178.07736	2.5
179.07069	5.5
181.06520	3.1
181.10107	8.3
182.07208	0.5
183.08145	0.8
183.11714	9.1
193.10141	9.9
193.15918	1.6
195.08090	0.6
196.08846	4.7
211.07796	0.9
211.09659	0.9
211.11226	15.0
211.14824	1.4
211.16924	3.8
212.11497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.27999	1.1
53.03941	5.1
55.01891	7.3
55.05516	48.7
56.83903	1.1
57.03440	27.2
57.07071	5.1
59.05004	4.0
65.03936	2.7
67.05511	43.2
69.03439	25.7
69.07072	19.4
70.91125	2.0
70.91461	2.1
71.05000	9.4
79.05497	39.1
81.03423	100.0
81.07061	58.9
83.04987	58.4
83.08624	39.8
85.02919	3.5
85.06552	4.9
91.05488	39.2
91.05956	0.9
93.07053	30.8
95.04363	1.9
95.04974	39.4
95.08611	53.0
97.02925	3.3
97.06523	5.9
97.10184	9.9
99.04447	4.6
99.08095	4.6
101.06038	1.5
103.05462	2.8
105.07038	32.7
107.04960	9.2
107.08607	20.1
109.06511	10.1
109.10166	26.8
111.04436	3.7
111.08086	13.8
113.05988	1.8
115.05460	4.0
115.07554	2.0
117.07046	2.5
119.04969	3.4
119.08591	30.6
119.09460	1.6
121.06524	4.4
121.10146	14.2
123.04430	4.4
123.08080	8.3
123.11706	11.0
125.06015	2.0
125.09641	12.2
126.93546	1.4
127.07542	2.2
127.11227	3.1
128.00789	1.4
128.06264	1.8
129.06995	16.3
131.08580	11.3
131.44432	1.5
133.06543	5.7
133.10136	18.9
135.11710	17.2
137.05984	26.7
137.09615	6.8
137.13287	2.1
139.11154	2.7
141.05389	1.4
141.07010	5.2
142.07785	11.6
143.08553	3.0
145.10117	2.1
147.04430	3.1
147.08041	3.2
147.11685	18.7
149.05965	1.9
149.09639	6.3
149.13232	3.4
150.06636	1.4
151.07564	6.6
151.11205	3.8
151.14876	2.3
153.07013	10.2
153.12704	2.2
154.07755	2.3
155.08582	17.0
155.10623	1.7
157.10143	32.9
161.89627	1.3
163.14856	9.7
165.05760	1.2
165.07069	5.5
165.12752	3.9
165.16420	1.4
166.07813	5.2
167.07066	9.7
167.08594	9.6
168.05707	1.4
168.09369	19.5
169.10149	12.2
175.11206	19.4
175.14821	11.3
178.07816	6.8
179.07063	7.1
181.06516	5.4
181.10123	20.1
181.15930	1.5
182.10866	2.1
183.08060	2.8
183.11705	24.2
193.05000	2.1
193.08620	1.8
193.10179	23.5
193.12268	38.4
193.15887	12.6
195.08136	1.6
196.08842	12.6
196.12468	3.9
211.07565	7.1
211.11205	36.6
211.13272	15.0
211.14885	9.8
211.16673	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	211.1119
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.01876	3.1
55.05506	0.9
57.76803	0.7
65.03948	0.9
66.69885	0.6
67.05493	2.0
69.03423	1.4
70.98832	1.3
79.05495	2.4
91.05478	4.4
103.05481	1.0
104.99557	0.7
105.07053	5.3
107.04875	0.6
112.27064	0.6
115.05476	3.3
117.07008	2.7
128.06224	2.9
129.07031	9.1
133.06468	1.0
137.05992	3.1
141.07007	15.7
142.06758	1.1
142.07802	14.8
143.08582	5.0
145.06476	0.8
152.06175	3.7
153.07010	24.5
154.07782	5.9
155.08571	50.1
157.06467	1.1
157.10141	22.5
165.05605	0.9
165.07011	15.9
166.07803	20.1
167.07117	0.9
167.08575	17.4
168.09369	38.0
169.06467	2.0
169.10152	15.3
178.07794	31.0
179.08533	1.9
180.09326	0.7
181.06534	17.4
181.10136	64.0
182.07248	2.3
182.10678	1.7
183.08173	5.2
183.11710	44.2
184.12001	1.0
192.09323	2.4
193.10150	85.1
194.10492	1.5
195.08028	3.6
196.08867	21.5
211.11198	100.0
212.11505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1119
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.01859	1.4
55.05507	1.8
56.96551	1.7
57.07070	0.7
67.05521	1.6
69.03423	2.0
70.31935	2.9
71.04986	1.4
79.05498	1.4
81.03402	0.9
81.07043	1.9
89.18050	0.6
91.05464	2.5
93.07036	0.7
95.04964	0.9
95.08624	0.8
99.04442	3.4
105.07019	2.6
107.08602	0.9
109.06475	1.3
109.10123	1.1
114.25244	0.6
115.05446	1.2
119.08595	1.1
128.06235	1.5
129.07001	2.4
130.26939	0.7
133.10159	1.0
135.11694	1.2
137.05968	7.4
141.06969	4.9
142.07800	6.5
143.08569	4.3
145.06477	1.4
152.06207	2.3
153.06996	13.5
154.07762	1.3
155.08556	16.5
157.10135	17.6
165.07007	6.2
166.07765	5.9
167.07248	1.3
167.08578	12.3
168.09354	23.2
169.06490	1.8
169.10127	7.4
171.08076	2.4
178.07764	15.9
179.08479	1.4
181.06494	25.3
181.10114	18.6
181.11351	0.4
182.07190	1.4
183.08173	3.7
183.11690	24.0
192.09270	0.7
193.10130	35.9
195.08093	6.7
196.08841	38.3
209.09718	1.1
211.07704	2.5
211.11188	100.0
211.14778	5.8
212.11514	1.7
221.10905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1119
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.34729	0.5
69.03413	1.7
70.84635	0.4
70.88058	1.3
81.58868	0.5
91.05479	0.6
103.05463	0.5
104.58923	0.5
105.07043	0.5
115.05376	0.5
116.95366	0.5
119.42232	0.4
119.69491	0.5
128.06200	1.1
129.06993	1.8
141.06999	3.1
142.07774	2.7
143.08568	1.7
145.06479	1.8
146.07272	0.6
152.06233	1.2
153.07002	6.4
154.07776	1.4
155.08559	10.1
157.10127	5.2
165.06990	3.3
166.07816	3.6
167.08565	6.6
168.09354	11.3
169.06493	1.1
169.10196	2.6
171.08023	2.8
177.07072	0.7
178.07771	13.9
179.08505	1.4
181.06487	26.4
181.10097	8.3
182.07230	1.4
183.08151	2.4
183.11694	12.3
191.08575	1.0
192.09317	0.7
193.10133	23.7
194.07283	0.6
195.08061	7.6
196.08847	40.0
197.09100	0.9
209.09621	0.9
211.11182	100.0
212.11508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1118
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.01855	2.5
59.85055	1.0
61.05163	1.0
65.27145	1.0
69.05509	0.9
70.76764	1.0
70.77104	2.5
91.05502	1.0
115.05431	1.2
119.08543	1.4
128.06200	2.7
129.07013	2.4
141.07001	8.8
142.07774	20.5
143.08551	4.2
152.06187	6.4
153.06993	27.5
153.46745	0.9
154.07721	2.6
155.08560	31.0
157.10133	100.0
165.07025	16.2
166.07780	22.0
167.08574	40.4
168.09351	72.9
168.10843	1.6
169.06552	1.8
169.10115	7.2
178.07773	17.6
179.08406	1.4
181.06532	16.5
181.10124	68.1
182.07253	1.0
182.10719	2.0
183.11700	73.8
184.12004	1.3
191.27380	1.1
193.10135	77.1
194.10413	1.7
195.08055	3.1
196.08842	29.0
201.90111	1.1
211.11188	85.6
212.11601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05505	1.1
57.03460	1.1
64.06564	0.8
68.01730	0.9
69.03437	1.8
69.07070	1.0
70.45767	2.5
77.08127	0.9
81.07047	1.3
85.06541	1.1
91.05482	2.6
93.07047	1.2
95.04970	1.2
95.08617	1.3
95.46039	0.8
104.53761	0.9
105.07026	2.2
115.05456	2.4
119.08628	1.2
128.06219	2.4
129.07030	3.1
137.06000	15.3
141.06981	7.8
142.07793	15.6
143.08601	4.6
145.06613	1.3
147.04349	1.0
151.07625	1.4
152.06235	4.2
153.07007	25.0
154.07822	2.9
155.08565	27.4
156.09346	1.0
157.10146	53.2
165.06993	10.4
166.07808	18.7
167.07149	1.6
167.08568	24.1
168.09369	50.0
169.06445	1.8
169.10133	11.0
171.08197	1.1
176.70308	0.9
178.07784	21.4
179.07021	1.0
179.08482	2.0
181.06538	21.4
181.10130	55.5
182.07130	1.2
183.08139	3.7
183.11711	48.8
192.09308	1.5
193.10155	65.2
195.08061	5.1
196.08865	32.0
196.12518	1.1
197.09137	0.9
202.16579	0.9
211.11203	100.0
211.14725	3.5
212.11620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.112
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
53.03933	1.4
55.01855	3.2
55.05500	3.0
57.03432	1.4
57.07069	1.3
63.89532	0.8
65.03960	1.2
67.05497	4.3
69.03427	1.4
69.07065	1.9
70.84652	2.7
71.04980	2.2
71.08609	1.5
79.05482	2.8
81.03419	2.0
81.07072	8.5
83.04990	1.8
83.08624	1.9
86.67001	1.1
91.05502	5.4
93.07039	3.2
95.04951	3.2
95.08627	5.5
99.04427	1.8
103.05455	1.8
105.07036	7.4
107.04913	1.3
107.08585	3.0
109.06496	2.8
109.10168	3.7
115.05425	2.2
119.04950	2.6
119.08594	4.6
121.06494	1.6
121.10148	2.4
122.03634	2.5
123.04430	3.1
123.08078	2.2
123.11696	7.0
125.09644	2.1
128.06213	2.5
129.07030	5.1
133.06462	1.6
133.10129	3.5
135.11700	4.1
135.53181	1.1
137.05988	31.5
137.09598	1.3
141.07025	9.1
142.07788	20.7
143.08592	6.9
147.04398	2.9
147.11659	1.2
151.03909	1.2
151.06494	1.4
151.07593	3.5
151.11224	7.1
152.06207	6.2
153.05746	2.0
153.07011	28.9
154.07774	4.4
155.08559	42.1
157.10139	75.6
165.07008	12.9
166.07782	18.6
167.07097	5.5
167.08556	36.3
168.09357	67.8
169.06471	3.1
169.10149	16.0
173.68349	1.1
173.87151	1.1
175.14838	3.3
178.07780	20.7
179.07053	4.9
179.08511	2.2
179.76500	0.9
181.06534	18.8
181.10121	70.4
182.07256	1.3
182.10690	1.9
183.08156	2.8
183.11708	69.7
184.12061	1.3
192.09288	1.4
192.52844	1.2
193.10150	77.8
193.12021	2.6
194.10536	1.8
195.08076	3.7
195.94742	1.2
196.05244	1.1
196.08836	26.7
196.12511	3.2
211.05838	2.3
211.07765	2.5
211.11203	100.0
211.14812	5.8
212.11504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01867	0.6
55.05506	0.7
57.03437	0.5
65.03934	0.3
67.05494	1.1
68.84125	0.2
69.03429	0.7
69.07062	0.6
70.37530	0.5
70.37897	0.6
71.04993	0.4
79.05489	1.5
81.07068	1.6
81.07500	0.4
81.41026	0.3
83.04981	0.8
83.08594	0.3
85.06551	0.5
90.66650	0.3
91.05484	4.4
93.07030	0.8
94.04181	1.6
95.04962	0.9
95.08614	1.1
97.06522	0.3
100.84471	0.3
103.05492	0.8
105.07026	2.9
107.04959	0.7
107.08604	0.6
108.05782	0.3
109.06506	2.8
109.10114	1.4
111.08052	0.3
115.05419	0.4
119.04952	4.3
119.08588	1.0
121.06512	1.0
121.10175	0.3
122.03656	5.5
123.04404	0.4
123.08076	0.9
123.11725	0.5
124.54526	0.3
125.05931	0.3
125.09658	0.6
133.06497	2.3
133.10138	0.7
135.04378	0.4
135.11717	0.8
137.05981	100.0
138.06308	1.4
139.03883	0.7
141.06990	0.7
142.07767	0.9
143.04971	0.4
143.08517	0.6
147.04419	7.5
149.05978	0.7
151.07544	4.8
152.06129	0.4
153.05513	2.4
153.06982	1.8
154.06261	0.9
155.08585	2.6
157.10121	3.0
161.06007	0.8
163.03886	1.3
165.05534	0.3
165.07021	0.9
166.07756	0.7
167.07060	0.9
167.08578	1.4
168.09331	3.1
169.10147	0.9
175.14751	0.3
178.06277	1.1
178.07803	1.1
178.09279	0.3
179.07050	5.6
179.08553	0.5
181.06497	1.3
181.10124	3.0
183.08096	0.7
183.11703	3.4
193.08589	0.6
193.10149	3.6
193.15938	0.3
195.08038	0.3
196.07323	0.3
196.08917	1.8
211.07559	0.9
211.09628	6.3
211.11264	4.1
211.14886	0.7
211.16911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01871	0.6
55.05518	1.8
57.03429	1.1
57.07067	0.3
59.05013	0.3
63.86390	0.2
65.03931	0.7
66.04732	0.3
67.05509	1.7
69.03439	1.5
69.07086	0.7
70.46984	0.5
70.47343	0.6
71.04990	1.2
79.05506	2.0
81.03432	1.7
81.07060	2.7
83.04980	2.0
83.08615	1.3
83.32457	0.3
85.02917	0.3
85.06576	0.6
91.05488	5.1
93.07034	1.4
94.04205	1.4
94.04686	0.3
95.04995	1.3
95.08607	2.5
97.06538	0.3
99.04452	0.3
99.08089	0.4
99.36239	0.2
103.05470	0.6
105.07040	3.8
107.04954	1.1
107.08604	1.3
108.05733	0.3
109.06519	3.1
109.10174	1.5
111.04469	0.2
115.05472	0.7
118.04192	0.3
119.04955	4.4
119.08586	1.0
121.06516	1.0
121.10155	0.5
122.03651	4.8
123.04491	0.5
123.08073	0.8
123.11671	1.1
125.09640	0.9
127.11192	0.3
129.07030	0.5
131.08629	0.4
133.06509	1.9
133.10136	1.0
135.08061	0.3
135.11707	0.8
137.05986	100.0
138.06308	1.1
139.03931	0.8
141.06973	0.4
142.07790	1.1
143.08493	0.4
147.04417	7.9
147.11684	0.4
149.05980	0.5
151.07556	5.2
153.05484	2.7
153.06998	1.3
154.06247	0.8
154.07861	0.2
155.08543	2.0
157.10139	2.9
158.10532	0.3
161.06018	1.0
163.03880	1.2
163.14812	0.4
165.06982	0.9
165.09160	0.3
166.07790	0.9
167.07048	1.8
167.08585	1.8
168.05707	0.3
168.08000	0.4
168.09351	2.8
169.10101	1.4
175.14859	1.2
178.06264	0.9
178.07826	0.9
179.07053	5.8
179.08530	0.5
181.06479	1.2
181.10106	2.2
182.10837	0.3
183.08150	0.4
183.11719	3.2
193.08607	0.5
193.10159	3.3
193.12212	0.7
193.15924	0.6
196.08884	1.8
211.07573	0.6
211.09631	6.1
211.11267	4.1
211.14894	1.3
211.16940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78064	0.3
53.03945	0.4
55.01869	0.8
55.05511	1.0
57.03428	0.5
60.47687	0.2
65.03953	0.7
67.05517	1.3
69.03408	0.5
69.07056	0.5
71.05003	0.6
71.57178	0.4
78.84283	0.2
79.05510	1.6
81.03420	0.7
81.07059	1.9
81.17229	0.3
83.04987	0.5
83.08621	0.5
91.05484	4.7
93.03413	0.4
93.07050	0.9
94.04179	1.0
95.04967	1.4
95.08614	1.2
97.06534	0.3
99.04491	0.5
103.05458	0.4
105.07033	3.4
107.04964	0.8
107.08637	0.4
109.06507	3.0
109.10172	1.3
115.05463	0.7
117.07056	0.3
119.04954	4.7
119.08606	0.9
121.06511	1.1
122.03645	4.6
123.04423	0.6
123.08038	0.8
128.06219	0.4
129.06996	0.7
133.06497	2.4
133.10092	0.7
135.11665	0.3
136.05247	0.5
137.05983	100.0
138.06297	1.5
139.03902	0.5
141.07030	1.6
142.07787	2.1
143.04848	0.3
143.08569	0.6
147.04427	7.9
147.11688	0.5
149.05988	0.4
151.07549	5.0
152.06236	0.7
153.05484	2.2
153.06943	3.1
154.06255	1.2
154.07628	0.4
155.03467	0.3
155.08560	5.5
157.10135	6.8
161.05998	0.7
163.03902	1.0
165.05504	0.5
165.06996	1.5
165.09108	0.5
166.07829	1.9
167.07069	1.1
167.08586	4.0
168.07896	0.5
168.09357	6.6
169.06450	0.4
169.10165	2.5
170.05736	1.6
175.11179	0.5
175.14801	0.6
178.06268	1.3
178.07809	2.3
179.07054	6.0
181.06525	1.9
181.08931	0.2
181.10129	6.2
182.07277	0.3
182.10828	0.3
183.08054	0.4
183.11707	7.2
193.08644	0.5
193.10141	8.7
195.08005	0.4
196.07210	0.3
196.08847	3.2
196.10492	0.4
196.12482	0.4
211.05823	0.4
211.07617	0.6
211.09599	5.7
211.11232	10.0
211.14651	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	211.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01879	2.0
55.05515	5.7
56.96570	1.7
57.15008	0.8
65.03922	1.2
67.05507	5.0
69.03439	1.2
69.07063	2.2
71.04998	25.7
79.05495	6.7
81.03418	3.4
81.06726	0.7
81.07063	8.5
83.04983	2.7
83.08609	1.3
85.06560	2.8
85.68826	0.8
89.05134	0.8
91.05486	10.9
93.07056	7.8
94.65520	0.9
95.04968	4.5
95.08593	3.5
97.06509	2.1
97.10162	1.0
99.04458	63.5
99.08092	0.9
103.05487	2.1
105.07040	6.5
107.08589	3.3
108.05747	1.6
109.02898	2.4
109.06503	5.9
109.10167	2.1
110.03674	1.9
115.05447	1.1
119.04947	14.7
119.08614	3.5
121.06504	2.8
121.10113	1.4
122.03631	1.6
123.04427	12.6
123.08094	3.9
123.11696	1.5
127.03925	14.7
127.07529	4.9
128.06210	1.0
129.06992	2.0
131.08533	0.9
133.06477	3.2
133.10144	3.8
135.11716	8.7
136.05202	2.5
137.05986	36.9
140.14478	0.9
141.05507	1.0
141.06973	5.2
142.07762	7.9
143.08568	3.6
147.04422	18.2
147.11723	1.3
149.05969	0.9
151.03882	1.3
151.07564	12.0
152.06227	2.2
153.05666	1.1
153.06990	10.4
154.07800	2.3
155.03401	36.1
155.08572	17.1
157.10138	23.9
161.06018	1.4
165.05757	1.3
165.06906	4.6
166.07770	7.2
167.07164	1.4
167.08553	13.1
167.09875	1.5
168.09355	26.6
169.04971	1.4
169.06424	0.9
169.10138	9.9
170.05751	100.0
171.06053	0.9
175.14810	4.2
178.07756	8.5
179.07048	38.6
181.06509	8.3
181.10126	25.0
182.07179	1.3
182.10788	1.2
183.08121	1.1
183.11687	28.2
193.10156	26.6
193.11981	0.9
193.15800	1.9
195.08055	1.0
196.08856	12.5
196.12434	1.1
211.07761	2.0
211.09645	2.5
211.11218	44.6
211.14815	7.3
211.16876	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	211.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59521	0.6
50.69830	0.8
53.03952	1.4
55.01865	1.6
55.05512	3.7
56.96569	1.0
57.07084	1.0
65.03952	1.1
67.05524	4.2
67.05824	0.8
68.99810	1.1
69.07068	1.8
69.41923	2.7
69.42348	3.7
71.05000	27.2
79.05499	5.0
81.03424	3.2
81.07066	8.6
83.01327	0.7
83.04993	1.9
85.06530	2.7
91.05484	14.0
93.07059	7.3
94.04190	0.9
95.04984	4.4
95.08627	4.2
97.06574	1.2
99.04465	73.6
103.05447	1.3
105.07034	6.0
107.08607	3.7
108.05755	1.0
109.02907	2.2
109.06552	5.0
109.10167	3.4
110.03696	1.2
115.05439	0.9
117.07062	1.0
119.04955	18.2
119.08591	3.2
121.06511	0.8
121.10136	1.5
121.73260	0.7
122.03671	1.3
123.04443	10.3
123.08081	3.4
123.11711	1.1
127.03929	13.1
127.07579	7.9
128.06233	1.6
129.06990	1.6
133.06540	3.1
133.10139	4.9
135.11700	12.6
136.05240	2.4
137.05992	47.4
137.09630	0.9
140.04765	0.9
141.06947	3.6
142.07779	5.3
143.08574	2.6
147.04417	16.2
147.05501	1.1
147.11703	1.2
151.03969	1.0
151.07562	13.8
152.06232	1.9
153.05658	1.5
153.06992	9.2
154.07732	1.2
155.03404	36.0
155.08569	16.2
157.10133	19.5
161.06035	1.3
165.07024	4.5
166.07780	5.5
167.07089	2.1
167.08530	10.8
168.09358	17.5
169.04877	0.8
169.10118	5.6
170.05760	100.0
175.14850	5.3
178.06291	1.4
178.07748	7.1
179.07057	38.4
181.06491	7.0
181.10129	21.4
182.10918	1.2
183.11714	19.9
193.08543	0.9
193.10156	21.0
193.15903	1.7
194.10382	0.9
195.08078	1.5
196.08865	10.2
196.12477	1.4
211.07768	1.4
211.09624	3.1
211.11247	34.4
211.14853	7.1
211.16995	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	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81473	0.3
55.01879	0.5
55.05518	0.5
56.05052	0.3
56.12296	0.3
56.96575	1.0
57.03438	0.4
58.04329	0.3
58.40984	0.3
62.06101	0.4
67.05524	0.6
69.03429	1.6
69.27135	2.6
70.03775	0.4
70.06600	0.6
72.04525	1.5
74.06079	0.3
79.05499	2.3
79.69951	0.3
81.03431	0.4
81.07068	0.6
83.04968	0.6
84.08145	0.4
85.02908	0.8
91.05491	5.1
93.07050	1.3
93.07569	0.3
95.04984	1.3
95.84536	0.3
96.08961	0.3
97.02892	0.5
97.06499	0.5
98.97574	0.9
103.05470	5.9
105.07045	7.5
107.04951	2.4
108.08165	0.3
108.08947	0.5
109.06541	0.5
110.06065	0.3
113.32417	0.3
115.05456	0.7
116.98676	0.4
117.05775	1.5
117.07022	3.2
118.05058	0.3
118.06545	3.9
119.04967	0.4
119.07333	5.9
119.08611	0.8
120.08117	7.6
121.06507	1.6
122.06051	0.4
122.06851	0.4
122.10513	0.4
123.04461	0.8
124.12022	0.4
128.06232	1.2
128.07162	0.3
128.98586	0.3
129.07010	6.0
130.06548	0.7
131.04944	1.8
131.07314	1.6
133.06511	0.5
133.10139	0.4
135.08003	0.3
137.05983	6.2
138.09152	0.4
139.07533	0.3
144.08076	0.9
146.05988	0.4
146.09659	7.7
147.04408	0.7
147.08014	0.4
148.07520	0.3
149.06020	0.5
150.09177	0.5
151.07542	0.9
153.05495	0.5
158.99687	0.4
160.07597	0.5
163.97728	0.3
164.10724	100.0
165.11102	1.4
167.07072	3.2
170.05682	0.4
174.09094	0.4
177.00589	0.3
178.05814	0.6
179.07048	0.3
182.08095	0.5
182.09496	0.4
186.96815	0.4
190.08595	0.3
192.04926	0.3
192.06573	1.2
192.10173	2.4
192.14671	0.7
205.98814	0.5
210.05948	0.5
210.07777	1.7
210.11264	15.6
210.15663	0.8
211.09631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
52.51800	0.3
53.03936	1.0
55.01860	1.5
55.05509	2.1
57.03437	0.8
57.07060	0.6
59.41178	0.3
59.95878	0.3
64.11176	0.3
65.03923	0.7
66.72126	0.3
67.05504	3.2
69.03436	2.3
69.07063	3.6
70.03767	0.5
70.06576	1.4
70.95596	0.5
70.95962	0.8
71.05010	2.3
72.08174	2.1
72.93780	0.4
73.20456	0.4
78.04714	3.3
79.05493	3.9
81.03407	1.1
81.07061	6.2
83.04976	1.6
83.08611	1.1
84.84565	0.4
85.02892	0.6
85.06546	1.9
91.05482	6.7
93.07040	5.6
94.04207	1.0
94.07294	0.4
95.04977	3.8
95.08054	0.5
95.08606	5.6
97.02901	0.6
97.06520	1.2
97.10241	0.4
99.04443	1.2
99.08114	0.5
101.06036	0.5
103.05477	2.4
105.03369	0.8
105.07040	6.2
106.04189	2.6
107.04962	3.2
107.08591	2.5
108.05733	1.0
109.06514	2.7
109.10150	2.7
111.04463	0.7
111.08109	1.1
114.87498	0.3
115.05458	0.6
115.07569	0.8
117.07030	0.5
119.04935	1.1
119.08598	3.8
120.08112	0.8
121.02912	0.5
121.06516	5.2
121.10144	1.7
122.03622	1.0
123.04429	8.8
123.08074	1.8
123.11662	0.9
124.05225	2.9
125.05985	0.5
125.09649	2.0
129.07005	0.5
133.02858	0.5
133.06528	2.0
133.10139	4.3
134.03598	0.6
135.04417	1.0
135.08086	1.2
135.11702	1.3
136.05208	1.9
137.05983	17.8
137.09592	0.4
137.13229	0.7
139.07539	1.4
141.06992	0.4
142.07770	1.2
144.04770	2.3
147.04425	1.9
147.08037	0.6
147.11650	1.7
148.05188	1.5
149.02460	0.4
149.05995	5.6
149.13290	0.8
151.03896	1.6
151.07547	16.8
151.11172	3.9
152.04662	2.4
153.05486	1.8
153.07001	1.5
155.08548	2.0
157.10135	1.8
161.05994	1.6
163.03923	0.4
163.14854	0.6
163.97699	0.6
165.05574	2.0
165.06863	0.6
165.09163	0.9
165.12872	0.5
166.06245	1.1
167.07045	100.0
168.07529	1.6
168.09348	2.7
169.10110	0.8
174.40736	0.4
175.11089	1.7
175.14841	2.8
178.07806	0.8
179.07056	7.5
180.07848	1.3
181.04950	0.5
181.06512	1.4
181.08600	4.8
181.10158	1.5
183.11670	2.4
193.05042	0.7
193.08600	1.7
193.10437	2.5
193.12068	2.9
193.15901	1.1
194.11600	0.7
196.05789	0.4
196.07297	1.6
196.08881	2.3
205.98761	0.7
211.05942	0.6
211.07706	0.5
211.09369	2.6
211.11380	6.3
211.13234	0.7
211.17114	1.7
212.12868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03952	2.9
55.05515	65.0
57.07067	2.4
59.04991	3.3
67.05509	10.1
69.03436	16.3
69.07049	7.8
71.04990	6.1
71.08123	4.1
79.05485	5.0
81.07069	13.2
81.53553	2.0
83.04987	100.0
83.08625	34.9
91.05466	6.1
91.80721	2.1
93.07066	18.5
95.04961	7.2
95.08616	15.9
97.06540	9.5
97.10170	6.5
99.08086	3.3
105.07024	6.9
107.08598	35.1
107.88226	2.4
109.06527	18.5
109.10155	24.2
111.08070	12.1
121.06512	4.3
121.10146	22.3
123.08076	2.5
123.11713	15.9
125.09633	15.2
127.07564	7.1
131.08595	3.1
133.10121	13.0
135.08072	4.8
135.11710	11.5
137.09683	3.1
144.16824	1.9
147.11659	4.6
149.09625	10.6
149.13223	12.6
151.11192	44.7
153.09135	6.8
163.14838	6.1
165.12720	3.1
167.14331	74.7
173.13261	3.6
191.14296	9.4
209.09734	4.4
209.15364	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	1.8
55.01867	2.9
55.05504	8.7
57.03444	1.5
57.07069	3.4
59.04990	1.9
65.03952	1.8
67.05510	9.5
69.03435	12.3
69.07077	15.6
69.80416	5.5
71.05004	8.0
79.05497	8.8
81.03456	1.6
81.07057	16.3
83.04990	15.1
83.08608	5.5
85.06538	2.2
86.07072	1.1
89.03922	1.0
89.86108	1.1
91.05494	9.8
93.03422	1.8
93.07059	16.9
95.04968	10.2
95.08617	28.4
97.06541	7.3
98.20786	1.6
99.04478	1.5
99.08103	3.9
103.05476	2.2
105.07058	12.4
106.04192	5.7
107.04993	2.0
107.08606	43.6
109.06533	17.7
109.10172	16.9
111.08091	4.8
113.09637	1.8
117.07031	1.7
119.08577	5.9
121.06535	12.1
121.10154	36.2
123.08053	8.8
123.11700	4.8
125.05990	2.6
125.09641	11.8
131.08563	6.7
132.04568	1.0
133.10139	17.7
134.03603	1.3
135.08058	16.9
135.11723	8.5
137.09607	4.3
139.11200	6.4
143.08601	1.9
145.10129	4.7
147.08092	1.3
147.11696	10.1
149.05992	6.9
149.09628	13.2
149.12180	1.8
149.13280	20.2
151.11197	100.0
153.09158	5.1
158.10870	3.3
163.14827	8.5
165.12753	6.1
166.07791	1.5
167.10646	1.5
167.14420	1.5
173.13271	15.6
176.14142	1.1
177.05472	3.6
181.08717	1.5
191.07097	1.6
191.14323	48.4
209.08057	1.6
209.09798	1.7
209.15392	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.1
55.05310	0.8
55.05520	8.3
57.03455	6.3
57.07067	1.7
59.05003	1.2
60.79949	0.9
61.02926	3.1
65.03931	1.0
67.05518	11.0
69.03438	100.0
69.07074	5.6
71.04987	3.2
79.05508	10.0
81.03439	6.6
81.07069	29.8
83.04971	3.5
83.08629	3.9
85.06570	7.1
91.05503	7.5
93.07050	18.3
95.05005	5.3
95.08613	11.3
97.06532	4.4
103.05502	1.4
105.07037	9.5
107.08604	20.9
109.06532	32.4
109.10176	10.6
111.08157	1.2
113.09647	4.1
117.07028	1.6
119.08590	9.6
121.06537	4.5
121.10165	22.2
123.08093	4.8
123.11726	14.8
125.09633	2.2
127.04574	0.9
127.07520	2.7
131.08585	5.3
133.10156	14.5
135.08060	6.4
135.11719	5.8
137.09604	5.1
145.10144	3.9
147.11717	5.9
149.05983	1.2
149.09602	3.3
149.13280	6.8
151.11205	1.8
153.05481	1.1
153.09122	5.8
153.12750	1.4
158.10875	1.9
161.13289	2.1
163.11243	1.2
163.14819	4.6
167.14214	1.0
173.13264	10.7
177.05481	1.4
191.14331	33.7
193.98238	0.9
194.02100	1.8
200.68057	0.9
209.04521	3.2
209.08038	1.0
209.15390	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.2
55.01867	2.1
55.05513	9.7
56.08716	1.3
57.03437	1.9
57.07068	2.9
59.04990	3.1
60.91169	1.3
62.88039	1.2
67.05505	9.5
69.03436	17.4
69.07070	12.3
69.07421	2.0
69.73666	6.5
71.04982	3.9
75.04513	1.4
79.05490	8.6
81.03420	12.4
81.07053	17.6
83.04986	13.1
83.08632	3.2
85.06546	3.6
89.12393	1.3
91.05458	7.4
93.07043	13.8
95.04976	12.5
95.08611	19.4
96.59628	1.2
97.06499	3.7
99.04462	1.4
99.08139	1.8
105.07030	11.3
107.08604	28.2
109.06523	48.7
109.10160	9.2
111.08093	5.3
113.06033	2.3
119.08608	6.5
121.06517	4.4
121.10146	26.2
123.08070	18.2
123.11718	10.7
125.09634	3.8
131.08546	2.2
133.10110	6.5
135.08066	11.4
135.11688	11.9
136.13263	1.3
137.09633	3.9
137.13228	3.0
140.08391	1.5
145.10107	1.8
147.11703	6.5
149.06017	1.4
149.09636	18.3
149.13261	17.1
151.11197	18.5
153.09114	9.0
158.10928	2.4
159.57208	1.4
163.11172	1.9
163.14807	5.2
165.12755	100.0
167.14325	2.7
173.13318	9.8
177.05571	1.4
191.14337	19.3
209.15381	51.0
209.17369	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	4.7
55.01880	4.1
55.05517	18.7
57.03432	9.5
57.07081	7.8
59.05006	8.0
65.03927	3.1
67.05517	22.1
68.99808	5.0
69.03435	10.7
69.07076	18.4
70.89694	6.2
71.05008	12.8
79.05508	16.3
81.07064	37.3
83.01336	7.1
83.04980	25.6
83.08622	10.0
85.06556	10.3
91.05489	19.1
93.07053	42.5
94.02119	2.4
95.04981	30.6
95.08613	32.9
97.06532	14.9
97.10173	3.0
99.04455	6.4
99.08102	22.0
101.06036	2.6
105.07059	23.8
107.04990	7.3
107.08607	69.8
109.06543	19.2
109.10159	34.3
111.04440	2.9
111.08087	18.0
117.07047	6.3
119.08600	11.0
121.06519	14.0
121.10159	49.6
123.08083	26.2
123.11706	8.3
125.05998	9.7
125.09644	15.8
131.08601	19.2
133.10121	32.4
133.57529	2.7
135.08083	20.8
135.11690	10.0
137.09610	11.3
139.07556	12.4
139.11174	7.3
144.09441	2.7
145.10132	5.3
147.11679	6.9
149.09641	100.0
149.13275	31.4
151.11198	46.3
153.09161	22.4
154.09944	4.3
163.14830	15.5
173.13277	25.7
181.15852	6.0
191.14323	37.2
195.44046	2.5
202.21484	2.5
209.15396	63.4
210.75264	2.5
223.78166	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03961	4.4
54.28177	2.2
55.01882	5.6
55.05511	18.4
57.03428	7.9
57.07072	7.9
57.56226	2.6
59.05006	5.7
67.05518	18.5
68.99791	4.3
69.03431	13.7
69.07067	17.4
69.62190	6.8
69.62601	8.4
71.04990	7.2
73.45080	2.6
77.57419	2.7
79.05499	17.5
81.07071	38.9
83.01333	3.2
83.04990	25.7
83.08610	10.5
85.02910	3.9
85.06532	9.2
91.05490	17.7
93.07059	38.1
95.04971	29.8
95.08611	30.5
97.06534	14.2
97.10151	2.4
99.04454	10.1
99.08097	29.8
105.07060	22.0
107.04948	5.8
107.08609	61.0
109.06540	21.0
109.10167	32.0
111.04436	4.8
111.08092	19.3
119.08599	9.1
121.06517	15.4
121.10147	42.3
123.08072	21.6
123.11710	10.1
125.06022	7.8
125.09641	19.1
127.07549	2.9
131.08586	12.3
133.10138	27.4
135.08066	23.8
135.11710	10.8
137.09621	13.5
139.07545	10.7
139.11206	4.8
145.10118	7.7
147.11726	6.3
149.05920	3.0
149.09634	100.0
149.13271	29.6
150.61591	2.4
151.11208	56.6
153.09119	24.9
154.09888	2.8
158.10973	2.4
163.11157	2.8
163.14844	17.5
167.14421	2.7
173.13289	24.2
181.15865	2.8
191.14333	37.3
209.15399	75.5
209.17360	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	2.3
54.82409	1.7
55.01868	3.3
55.05519	11.9
57.03431	2.5
57.07067	4.2
59.04992	5.3
60.62362	1.6
67.05513	13.4
69.03432	15.5
69.07072	23.9
71.04995	11.1
71.32975	2.3
71.33300	1.8
73.31756	1.7
73.42171	1.5
79.05514	13.6
81.07066	20.1
83.04988	30.3
83.08611	9.4
85.02897	2.9
85.06556	3.6
86.49484	1.6
91.05479	12.4
93.07055	26.3
95.04976	12.4
95.08611	46.1
97.06527	15.7
97.10175	2.8
99.04443	3.7
99.08086	5.2
103.05457	2.5
105.07040	12.3
106.04192	3.5
107.04949	3.4
107.08602	66.4
109.06523	17.7
109.09459	2.3
109.10166	25.8
111.08088	16.5
113.06014	5.4
119.08565	5.5
121.06509	16.1
121.09312	3.0
121.10151	43.5
123.08070	9.4
123.11704	7.9
125.09627	14.9
131.04926	1.9
131.08575	10.3
133.09119	2.4
133.10136	42.8
135.08081	17.9
135.11699	42.5
137.09634	5.3
139.07504	5.1
139.11171	6.2
144.09346	2.0
145.10149	7.0
147.11667	11.0
149.05986	5.0
149.09587	13.4
149.13271	29.8
151.11197	100.0
153.09111	19.1
158.10934	4.4
163.11263	2.1
163.14874	18.7
165.07076	2.1
165.12808	2.6
167.10692	4.1
167.14374	2.7
173.13280	25.9
177.05470	6.3
191.14320	75.9
209.07988	4.0
209.15370	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.68285	1.7
53.03947	2.8
55.01860	5.3
55.05515	77.5
56.95312	1.4
57.03438	2.2
57.07084	2.8
59.04985	3.9
65.03944	2.0
67.05511	11.7
69.03082	2.9
69.03435	40.2
69.07068	7.6
69.95064	7.6
71.04984	4.7
72.78709	1.7
73.78293	1.3
79.05504	10.9
81.03412	2.8
81.07058	19.7
83.04988	100.0
83.08622	37.2
85.06532	4.2
91.05489	10.3
93.07049	24.5
95.04977	23.1
95.08613	9.4
97.06516	11.2
97.10181	8.2
99.04465	3.4
103.05476	3.4
105.07014	8.3
106.04166	6.5
107.05013	1.7
107.08601	34.6
109.06538	30.9
109.10159	23.3
111.08086	9.6
113.09616	2.6
119.08584	3.7
121.06501	11.8
121.09315	2.8
121.10146	41.2
123.08052	6.4
123.11721	17.3
125.09627	14.8
131.04921	5.7
131.08577	4.3
133.10144	11.8
134.03671	2.2
135.08110	3.6
135.11670	4.5
145.02826	2.3
148.05180	3.8
149.05994	13.8
149.09608	2.8
149.13280	9.0
151.11198	35.5
153.09178	7.3
159.04407	2.1
163.14807	7.1
163.38745	1.8
167.14320	68.0
173.13272	5.1
177.05490	13.3
181.08725	2.5
191.06926	1.6
191.14322	16.1
209.08064	10.6
209.13499	4.1
209.15370	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.3
55.01878	3.0
55.05517	72.1
56.73575	1.7
57.03434	2.2
57.07073	1.8
59.04990	4.1
67.05499	8.3
69.03446	9.6
69.07069	9.1
70.61669	3.3
70.62006	1.9
71.04993	3.6
79.05488	6.7
81.07059	17.4
83.04991	100.0
83.08628	36.5
85.06548	4.7
91.05486	5.9
93.07063	21.4
95.04978	28.7
95.08620	10.4
97.06558	7.7
97.10204	8.4
99.04445	5.3
105.07039	5.9
107.08608	28.1
109.06535	27.2
109.10168	27.2
110.44469	1.7
111.08102	12.8
119.08590	4.4
121.06496	2.4
121.10156	46.4
123.08097	3.0
123.11710	12.3
123.87540	1.6
125.09640	10.5
131.08577	4.1
133.10138	11.8
135.08087	5.5
135.11763	2.6
137.09631	2.0
145.10152	1.7
149.13287	7.9
151.11200	38.8
153.09129	10.7
163.14827	6.4
167.14337	65.1
169.14360	1.3
173.13269	4.6
177.05524	2.4
191.14305	10.3
194.02063	1.7
209.13556	3.0
209.15404	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02379	1.3
52.34352	0.7
53.00270	0.8
53.03938	3.5
55.01880	5.1
55.05511	4.2
56.92626	0.7
57.07059	2.4
59.05003	2.0
65.03930	3.3
67.05218	0.7
67.05509	7.6
69.03436	16.0
69.07072	7.1
69.85357	4.2
71.04976	2.5
73.10187	0.8
74.83110	0.7
75.04474	1.3
78.04692	2.0
79.05507	7.9
81.03423	11.0
81.07066	12.5
82.41895	0.7
83.04994	6.2
83.08611	2.8
85.02886	2.6
85.06544	1.1
89.03905	1.3
90.27116	0.8
91.05491	13.1
93.03410	5.4
93.07050	12.6
95.04971	11.9
95.08614	13.5
97.06543	4.3
99.04491	0.8
99.08095	1.8
103.05481	4.2
105.07037	6.6
106.04188	13.6
107.04942	2.2
107.08598	16.8
109.06533	16.8
109.10160	3.6
111.04433	1.9
111.08076	2.1
115.05460	1.2
117.03397	1.2
117.07015	1.5
119.04954	2.1
119.08598	6.7
121.06509	17.2
121.10147	16.8
123.04414	1.3
123.08075	12.2
123.11712	8.0
125.06010	9.0
125.09609	2.6
131.04921	2.0
131.08542	2.0
133.10123	3.3
134.03612	1.9
135.04405	0.9
135.08066	3.1
135.11685	3.2
137.05981	1.8
137.09579	3.1
137.13234	2.6
139.07542	2.1
145.06480	0.8
145.10110	1.5
147.11725	4.2
148.05167	1.5
149.06000	17.0
149.09631	11.9
149.13239	7.8
151.11208	7.3
153.05484	1.6
153.09102	4.7
163.07538	1.2
163.14806	2.8
165.12766	100.0
167.14287	1.4
173.13239	2.4
177.05479	8.7
181.08589	2.6
181.10063	1.6
191.07077	1.8
191.10641	1.1
191.14349	5.7
209.08012	4.0
209.09860	1.3
209.13458	2.1
209.15367	49.2
223.47542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	1.2
55.01875	2.8
55.05521	5.5
57.03439	4.4
57.07073	3.0
59.04997	2.0
62.02575	0.9
64.40704	0.9
65.03939	1.4
67.05513	7.3
69.03444	1.9
69.07075	5.6
70.46834	3.3
71.04991	3.5
79.05498	10.0
81.07063	22.0
83.04988	5.5
83.08622	3.9
84.28695	0.8
85.06544	3.0
90.03452	4.9
91.05484	6.6
93.07056	13.1
95.04974	30.4
95.05560	2.1
95.08608	8.7
96.47127	0.8
97.06537	23.6
99.00010	1.2
99.04481	4.9
99.08066	1.0
100.53368	0.8
103.05482	1.1
105.07046	8.9
106.04165	1.0
107.04958	1.1
107.08605	20.1
109.06527	98.6
109.10164	22.4
111.08090	4.6
113.09627	1.5
115.07555	1.7
117.07068	1.0
119.08591	4.8
121.06502	3.9
121.10162	20.3
123.08093	9.9
123.11702	2.6
125.06001	1.5
125.09633	2.0
126.01080	100.0
127.07544	2.1
131.08586	6.3
133.09134	1.3
133.10141	25.1
135.08067	10.1
135.11682	2.8
137.09627	2.2
139.07510	1.4
141.02206	1.5
144.02121	1.2
145.10135	3.5
147.11710	1.5
149.05960	2.0
149.09639	2.7
149.13303	5.7
151.11203	3.5
153.09109	22.6
158.10936	1.0
163.14847	4.7
165.12782	1.6
167.14362	1.3
168.03285	2.7
173.13264	9.5
177.05460	2.1
181.06516	0.9
191.14319	19.0
209.05969	11.8
209.07930	2.1
209.13458	1.8
209.15395	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	4.4
55.01864	4.1
55.05516	69.7
57.03428	2.0
59.05003	4.5
61.02934	1.8
65.03949	1.6
67.05508	8.3
69.03436	18.3
69.07077	7.3
71.04996	3.3
71.42715	1.3
79.05499	5.8
81.07076	16.3
83.04991	100.0
83.08626	35.9
85.06551	5.7
91.05492	5.6
93.07061	15.6
95.04975	14.3
95.08612	11.7
97.06544	7.3
97.10169	8.8
98.06275	1.3
98.20611	2.6
99.04465	2.2
103.05520	1.5
105.07050	9.5
107.04972	1.7
107.08611	21.7
109.06527	11.7
109.10169	26.8
111.08089	11.0
112.08886	1.6
113.09657	3.3
119.08597	4.6
121.06536	3.0
121.10146	15.9
123.08106	3.3
123.11725	13.3
125.09636	13.6
131.08559	3.4
133.10144	11.6
135.04405	1.6
135.08083	3.8
135.11658	1.9
135.73692	1.4
142.45654	1.3
145.10139	2.6
147.11690	2.7
149.05997	1.5
149.09683	2.1
149.13269	10.0
151.11203	38.6
153.09120	4.5
158.10883	1.8
163.14778	3.3
165.07014	1.9
166.07785	3.7
167.14333	73.3
173.13242	7.6
177.05518	4.0
179.07184	1.4
181.05009	12.9
181.06499	2.3
183.73299	1.4
191.08600	5.2
191.14304	8.0
192.11131	1.7
194.07349	3.0
209.07973	2.8
209.09709	17.0
209.13484	2.2
209.15387	32.1
229.38338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.0
55.05514	5.5
57.03437	2.1
57.07070	1.9
61.02933	1.2
65.03932	0.7
67.05506	8.3
69.03431	100.0
69.07061	4.1
71.04157	1.6
71.05000	1.4
79.05495	8.1
81.03419	4.9
81.07059	25.2
83.04987	2.7
83.08624	2.4
84.79206	0.7
85.02891	1.4
85.06544	4.9
91.05489	5.4
93.07048	13.0
95.04974	2.0
95.08612	6.2
97.06554	3.3
98.77703	0.6
99.04464	0.9
105.07034	7.5
107.08599	13.6
107.68698	0.8
109.06517	26.4
109.10175	4.2
111.08096	0.8
113.09642	0.9
117.06996	1.1
119.08610	4.9
121.06505	2.3
121.10135	11.6
123.08059	3.1
123.11710	14.2
125.09646	1.2
127.07577	1.9
131.08562	3.5
133.10133	6.9
135.08095	4.6
135.11656	3.3
137.09624	2.4
143.08514	1.0
145.10135	1.3
147.11697	3.1
149.09613	2.5
149.13295	2.7
149.42960	0.7
151.11169	2.1
153.09087	4.6
158.10909	1.2
161.13222	1.0
163.14799	3.8
167.14333	0.9
173.13293	5.4
174.98537	0.7
176.12057	0.7
191.14302	23.4
192.10966	1.0
194.02171	1.1
209.15372	48.7
210.15802	1.1
213.68375	0.6
214.15746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48130	0.3
53.03951	0.7
55.01874	3.0
55.05523	0.8
57.03442	0.5
57.07078	0.5
65.03942	5.4
67.05505	2.0
69.03444	0.8
69.07074	0.8
71.04994	0.7
71.46601	0.7
75.04467	0.4
78.04730	0.8
79.05506	1.6
81.07065	2.0
82.04196	0.7
83.04996	0.8
83.08643	0.4
85.02910	0.6
89.03925	0.9
90.96296	0.3
91.05057	0.2
91.05486	7.9
93.03410	8.9
93.07053	2.6
95.04957	2.1
95.08617	1.6
97.06548	0.7
99.04477	0.6
102.04675	0.6
103.05467	3.7
105.03384	0.8
105.07048	3.7
106.04169	2.8
107.04967	1.9
107.08617	2.1
108.05724	0.4
109.06533	1.6
109.10175	1.2
110.03664	6.7
111.04452	8.4
111.08080	0.6
115.05489	1.0
116.06242	3.8
116.51604	0.3
117.03387	0.5
117.07033	1.2
119.04957	8.6
119.08567	0.7
121.06523	5.0
121.10170	1.0
123.04453	1.2
123.08064	1.1
123.11651	0.4
124.05148	0.4
125.06000	12.4
125.09679	0.6
130.04094	0.5
131.04936	8.0
131.08604	0.4
132.05713	1.1
133.02876	2.2
133.06505	4.7
133.10121	0.7
134.03687	0.6
134.07288	2.4
135.04369	0.4
135.08064	2.0
135.11732	0.7
136.05226	0.6
137.05983	1.3
138.03119	0.8
138.06764	0.6
139.07512	0.8
144.05717	1.0
145.02853	0.6
145.06432	0.6
145.10129	0.4
147.04419	7.2
147.08020	1.1
148.05255	0.7
149.05994	4.9
149.09639	1.1
149.13248	1.1
151.07553	7.6
151.11197	1.1
152.04732	1.0
152.06235	2.1
153.05476	61.4
153.08913	1.7
154.05888	0.6
159.04449	0.4
161.05983	2.1
162.06787	1.7
163.07545	8.8
165.05486	2.1
165.07027	1.1
165.12735	0.4
166.06282	1.0
166.07774	1.0
167.07071	1.2
167.08418	0.4
168.07834	100.0
169.08243	1.0
173.13347	0.4
177.05499	3.6
177.09105	1.9
178.09900	2.9
179.07082	10.3
179.08575	1.0
181.08601	3.6
181.10164	1.4
191.07072	0.9
191.10638	0.4
191.14394	0.7
193.08665	0.4
193.12399	0.3
194.09396	48.9
195.09694	0.9
209.06100	7.7
209.08047	1.3
209.09645	2.5
209.11737	12.1
209.13324	1.4
209.15227	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	208.1334
Annotation	O-Methylcorypalline
Peak:m/z	Relative Intensity
58.06579	0.8
71.15974	1.0
71.16316	0.7
79.05500	0.5
91.05498	2.8
93.07063	0.5
95.04975	1.4
105.07044	5.0
107.35423	0.5
115.05469	2.7
117.06225	1.1
117.07031	17.4
119.04953	0.9
119.08524	1.2
121.06470	0.9
123.08054	2.0
133.06512	3.3
137.05965	0.9
142.57620	0.5
145.06500	24.2
147.06827	0.6
149.05939	0.7
149.09570	0.6
150.06770	1.6
151.07555	7.8
155.05991	0.7
159.08051	1.0
162.06740	1.1
162.09184	0.5
164.07089	0.7
164.08289	1.0
165.09131	36.9
166.09515	0.7
176.10728	1.6
177.09120	17.6
179.10698	14.6
191.10733	1.6
193.11018	1.5
208.13347	100.0
209.13829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1333
Annotation	O-Methylcorypalline
Peak:m/z	Relative Intensity
52.47557	0.5
55.70432	0.5
70.91728	0.7
76.41119	0.5
79.05502	1.3
91.05489	1.4
105.07053	1.7
117.07047	1.1
121.06503	2.4
122.07301	1.2
133.06523	1.0
135.08093	0.7
137.05998	0.7
145.06445	1.0
145.08870	2.1
146.06004	1.5
146.07285	2.6
149.06004	1.1
150.06763	2.9
151.07567	8.4
152.08340	2.1
154.26016	0.5
161.08386	6.4
162.09210	1.9
164.08347	10.4
165.09132	81.2
166.09447	1.0
176.10706	6.2
177.09149	8.3
177.11533	2.4
178.08649	1.6
179.10689	29.1
191.10686	2.3
193.11014	4.6
208.13348	100.0
209.13766	0.6
210.09502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.85209	1.1
53.03941	3.1
55.01864	3.5
55.05514	18.8
57.03435	2.6
57.07076	8.0
65.03935	2.6
67.05508	23.7
69.03416	5.8
69.06720	1.9
69.07072	24.6
69.48395	5.2
69.48808	3.6
71.04971	5.6
71.08622	1.4
71.33681	1.2
78.43621	1.1
79.05497	17.2
81.03419	2.9
81.07057	53.2
82.07394	1.9
83.04982	33.3
83.08626	11.6
84.23785	1.3
85.06517	2.5
91.05481	33.6
93.06472	2.5
93.07049	41.7
94.07395	1.6
95.04980	7.8
95.05545	1.1
95.08612	62.6
96.36421	1.3
97.06527	10.4
97.10165	4.3
99.08099	2.4
103.05430	1.8
104.08212	1.1
105.07031	50.1
107.04971	2.4
107.08601	52.6
108.08934	1.9
109.06532	10.2
109.09451	2.4
109.10160	26.5
111.08082	17.3
111.11714	3.9
113.09623	1.7
113.26656	1.3
115.96414	4.8
116.97267	1.7
117.07024	2.4
119.04967	3.6
119.08586	84.6
121.06531	3.5
121.10136	20.1
123.04504	1.7
123.07194	2.2
123.08074	38.1
123.11704	15.2
125.09628	6.2
128.06219	1.3
129.06976	3.3
131.04929	2.1
131.08559	4.0
133.06558	1.4
133.10133	55.2
135.08054	2.6
135.11694	18.9
136.05159	1.4
137.06006	1.5
137.09622	13.4
137.13249	8.0
143.08536	1.7
145.10135	3.6
146.07227	1.9
147.04407	3.1
147.08051	4.1
147.11687	38.1
149.02377	2.4
149.09619	4.5
149.13269	18.2
151.07503	4.4
151.11195	9.6
156.09370	1.9
159.11707	1.4
161.05981	16.8
161.09682	6.5
161.13264	44.8
163.14882	6.7
164.04745	1.6
165.09094	2.2
165.12782	3.8
171.11633	2.5
175.03957	2.6
176.08369	4.3
178.07747	1.7
179.08510	1.7
179.14308	3.8
189.09119	5.0
189.12761	7.1
189.16386	70.4
190.16672	1.4
192.09377	6.8
207.06473	6.1
207.08347	2.6
207.10110	5.9
207.11740	8.8
207.13846	19.9
207.17451	100.0
208.17813	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	1.3
55.05516	7.3
57.07069	3.1
59.05001	1.2
66.27225	0.6
67.05503	11.8
69.03423	2.4
69.07072	13.5
71.04993	1.7
71.55714	0.7
71.56097	1.2
73.00537	0.7
79.05500	6.4
81.03400	0.7
81.07059	25.3
83.04984	32.8
83.08624	3.1
83.96149	0.7
85.06551	1.5
91.05485	12.4
93.07047	18.0
95.04973	3.9
95.08610	33.5
97.06533	5.7
97.10178	1.8
105.07039	22.1
107.08599	15.4
108.05790	0.7
109.06525	4.3
109.10173	11.6
111.08090	2.6
115.96444	2.5
117.07011	0.9
119.04934	1.4
119.08582	16.3
121.06556	1.0
121.10139	6.7
123.08073	100.0
123.11707	6.3
124.08405	1.0
125.09647	1.5
131.08583	1.3
133.06461	0.8
133.10138	26.2
135.08054	0.8
135.11700	4.4
137.09628	4.3
137.13271	6.2
137.91513	0.7
145.10114	0.9
146.10808	0.7
147.04369	1.8
147.08034	1.2
147.11691	19.0
147.12805	1.5
149.02338	0.7
149.09659	1.7
149.13274	7.5
149.80025	0.7
151.07512	1.4
151.11182	10.1
161.05971	3.9
161.09694	1.7
161.13304	6.5
163.11200	0.7
163.14821	2.7
164.12108	1.0
165.12732	3.1
176.08430	0.8
189.09041	2.1
189.12744	2.7
189.16396	22.0
192.09299	1.9
202.75687	0.8
207.06493	3.1
207.08273	1.0
207.09894	1.3
207.11684	3.5
207.13826	7.2
207.17445	76.2
208.17776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03950	1.0
55.01868	1.7
55.05513	7.1
57.03451	0.8
57.07077	2.4
58.60227	0.6
59.05001	0.8
65.03942	0.6
67.05503	9.6
69.03431	3.1
69.07066	19.0
70.12419	2.4
71.04996	1.7
71.08636	1.0
77.25661	0.5
79.05496	5.9
81.03416	1.4
81.07057	21.6
83.04984	31.3
83.08616	2.7
85.06538	1.0
89.64546	0.5
91.05482	12.9
92.98631	0.5
93.07049	15.0
95.04953	2.9
95.08611	24.6
97.06528	5.8
97.10165	1.6
99.04494	0.7
103.05529	0.6
105.07035	21.6
107.04939	0.7
107.07875	0.9
107.08595	16.3
109.06519	8.1
109.10150	9.4
111.08076	2.1
111.11691	1.0
115.96439	1.0
117.07042	0.6
119.04943	1.5
119.08587	16.5
121.06520	1.0
121.10138	6.9
123.08072	100.0
123.11700	5.9
124.08424	1.1
125.09640	1.5
131.08559	1.6
133.06413	0.6
133.10132	23.7
135.11690	3.8
137.09634	2.9
137.13255	7.1
145.10126	0.9
147.04381	1.1
147.07993	1.1
147.11696	18.3
149.09612	1.6
149.13255	6.1
151.11191	12.9
158.38715	0.5
161.05984	2.4
161.09642	1.0
161.13263	7.8
163.03914	0.7
163.11198	0.6
163.14839	2.1
164.11983	2.0
165.12791	5.3
179.07082	0.8
179.08609	0.6
179.14290	1.3
189.12791	1.5
189.16402	20.8
189.18134	1.1
192.09332	1.2
198.29802	0.5
207.04568	1.0
207.06503	2.1
207.08347	0.9
207.11711	2.6
207.13834	3.8
207.17445	74.6
208.17899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.33357	1.0
51.25447	0.8
53.03939	1.9
55.05515	8.1
56.37833	0.9
57.07068	2.6
59.05006	1.5
65.03941	2.6
67.05177	1.3
67.05508	19.1
69.03425	3.3
69.07075	7.8
70.65820	1.2
70.66145	1.9
71.05003	7.1
75.25053	1.0
79.05495	13.8
81.03414	1.5
81.07062	36.8
83.04963	3.2
83.08612	6.4
85.06520	3.7
91.04972	1.8
91.05484	27.4
93.06474	1.8
93.07045	30.6
95.04951	3.6
95.08611	52.4
97.06511	3.8
97.10161	1.6
99.04371	1.2
99.08074	2.3
105.07037	38.6
107.04972	1.2
107.08598	48.0
109.06506	4.6
109.09451	1.7
109.10163	21.9
111.08060	3.0
115.05482	0.9
115.96442	3.5
116.97160	1.3
117.07005	2.8
118.04138	1.6
119.04944	10.9
119.08587	43.6
121.06497	2.6
121.10152	16.4
123.04393	1.2
123.08076	6.3
123.11742	6.1
125.09606	3.4
129.06985	1.8
131.08565	4.5
133.06490	1.9
133.10138	46.6
133.97481	2.3
135.11688	5.9
136.05170	1.2
137.05957	4.0
137.09593	3.5
137.13266	1.9
145.10133	2.9
146.03603	1.4
147.04399	7.4
147.08076	2.6
147.11691	33.4
149.02342	4.9
149.09604	4.7
149.12038	1.5
149.13257	27.8
151.07559	4.2
151.11162	3.8
161.05968	3.7
161.09602	3.6
161.13266	23.0
163.03941	1.4
163.14839	11.6
164.04675	5.4
165.09128	2.0
165.12721	2.3
174.03041	1.5
175.03943	4.5
176.08224	1.4
179.07028	2.9
189.09027	1.4
189.12758	4.3
189.16389	100.0
190.16731	2.5
192.04114	3.7
192.09288	3.4
207.06517	13.8
207.10089	3.7
207.11717	4.7
207.13824	13.9
207.17441	44.9
207.19414	2.3
208.17735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.0
55.01875	1.6
55.05516	7.7
57.07076	6.0
59.04999	2.4
65.03944	3.1
67.05176	2.1
67.05507	31.8
69.03439	7.4
69.07069	5.3
70.92248	2.4
71.04987	2.8
75.82129	1.3
79.05506	7.1
81.03389	1.2
81.07061	16.7
83.04977	6.0
83.08596	1.6
85.02909	49.1
85.06550	10.3
91.05486	21.1
93.07056	16.9
95.04967	5.5
95.08613	100.0
97.06501	1.5
101.27006	1.4
105.07038	27.7
107.04955	2.1
107.08599	22.4
107.71176	1.2
109.06518	8.9
109.10157	12.8
111.08131	1.7
113.06007	4.2
113.39510	1.3
115.05429	1.7
117.07015	3.9
119.04967	8.2
119.08591	40.3
121.06500	5.2
121.09312	2.3
121.10144	26.1
123.08077	53.9
123.11711	34.6
125.06003	4.8
128.06189	2.6
129.07031	2.4
131.08592	11.0
133.06499	2.8
133.10143	8.8
135.08081	1.5
135.11691	3.4
137.09627	7.1
137.13219	1.8
139.07503	2.4
141.06999	2.1
143.08575	3.3
145.10132	6.9
146.10884	2.1
147.04420	4.1
147.08072	12.7
147.11697	29.9
149.02463	1.4
149.09622	51.2
149.42429	1.1
151.07527	5.6
151.14830	4.1
156.09355	9.4
159.08072	3.7
159.49841	1.3
160.08870	2.6
161.06035	1.6
161.09634	3.9
161.13272	18.6
163.11261	5.8
165.09171	1.9
165.12762	9.8
171.11725	5.6
174.10405	7.0
175.03944	6.2
178.07825	6.3
179.08560	7.1
179.14357	3.0
189.12761	38.4
192.04086	1.4
207.06517	2.0
207.08142	16.6
207.13820	67.2
208.14232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03949	3.4
55.01866	4.7
55.05515	12.4
57.03422	4.8
59.05001	3.7
65.03933	4.1
67.05509	15.0
69.03429	17.1
69.07053	8.4
70.26494	7.1
71.04980	7.8
79.05499	17.1
81.03404	4.5
81.07061	22.3
83.04993	16.0
85.02918	24.8
85.06540	3.1
91.05485	39.2
93.07055	27.2
95.04967	10.1
95.08615	25.6
97.06544	4.1
99.04429	2.9
103.05456	2.3
105.06393	3.5
105.07040	54.0
107.04948	7.4
107.08594	39.2
109.06519	33.9
109.10139	11.2
111.08089	6.2
117.07022	5.9
119.04955	17.5
119.08590	64.9
121.06511	6.9
121.10149	30.1
123.08070	41.8
123.11709	19.7
125.05962	2.2
128.06229	2.6
129.06998	5.7
131.08583	14.5
132.09312	2.3
133.06546	9.6
133.10124	23.3
135.08051	11.1
135.11676	8.5
137.09641	20.5
137.13272	3.0
139.07602	2.4
143.04997	2.2
143.08543	6.8
145.10109	13.0
147.04416	9.0
147.08066	15.9
147.11705	62.7
149.09627	77.9
151.07593	11.4
156.09337	15.3
159.08118	4.9
159.11703	7.4
160.08817	2.3
161.09589	7.3
161.13281	40.3
163.11189	10.4
165.09087	2.5
165.12749	14.2
171.11714	12.6
174.10420	9.3
175.03899	9.8
177.12770	5.0
178.07822	6.9
179.07140	3.7
179.08560	11.5
179.14262	2.8
189.12753	52.0
207.06506	8.9
207.08257	19.1
207.09929	3.6
207.13826	100.0
212.90044	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.40050	1.0
55.01876	1.5
55.05503	1.9
57.07074	2.8
65.03941	1.0
67.05508	6.0
69.03400	1.3
69.07059	2.2
69.77620	1.9
69.78007	3.2
71.04977	2.1
71.33681	1.0
79.05478	4.3
81.07063	19.1
85.02911	100.0
91.05490	8.2
93.07050	5.9
95.04965	1.5
95.08584	4.0
98.20820	2.2
105.07041	13.3
107.04924	1.1
107.08597	7.2
108.51210	1.1
109.06504	4.1
109.10165	16.0
115.05474	3.3
117.07014	1.3
119.04955	2.6
119.08595	11.6
121.10159	11.0
123.04444	9.7
123.08043	2.0
123.11718	61.2
125.05988	10.3
131.08566	2.7
133.10153	1.7
143.04961	1.3
143.08582	1.4
145.10143	6.6
147.04408	4.5
147.08031	5.2
147.11693	14.0
149.09634	15.6
151.07530	3.4
152.88333	1.2
156.09337	3.4
161.05972	5.3
161.09677	1.5
161.13321	2.3
163.11148	1.8
165.12732	3.2
169.08585	1.5
171.11629	2.2
174.10431	2.3
175.03896	1.4
179.07051	3.7
183.54524	1.3
189.12737	10.1
207.06458	5.5
207.13828	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02387	0.9
53.03949	1.1
55.01875	1.1
55.05504	2.0
57.84373	0.6
59.06680	0.7
65.03938	5.0
67.05506	3.2
68.99812	0.8
69.03430	2.3
69.07069	2.0
70.14710	2.6
71.05019	1.2
77.03922	1.1
78.04720	1.0
79.05507	4.2
80.06258	0.7
81.03434	1.2
81.07060	4.3
83.05001	1.4
85.02911	2.4
89.03928	2.6
91.05486	55.4
93.03422	1.6
93.07056	4.9
95.04973	4.8
95.08590	4.7
97.06542	1.4
99.08084	0.7
103.05470	5.7
104.06271	0.9
105.03415	0.9
105.04533	0.7
105.07034	10.4
106.04169	2.0
107.04939	3.4
107.08591	4.7
108.05767	2.0
109.02887	3.3
109.06519	2.9
109.10161	2.3
110.64830	0.6
111.04483	1.0
115.05437	3.4
117.07027	2.9
118.04163	3.9
119.04951	51.2
119.08599	7.5
121.02870	2.1
121.06522	7.9
121.10156	2.8
123.04462	3.1
123.08081	4.8
123.11720	3.0
125.06030	1.1
128.06232	1.2
129.03365	3.1
129.04372	0.9
129.06998	1.4
131.04915	4.4
131.08583	1.5
132.02077	4.2
132.05748	3.2
133.02910	1.0
133.06509	17.9
133.10155	5.3
134.03622	0.7
135.04428	3.9
135.08047	1.9
135.11723	1.3
136.05197	7.4
137.05946	2.5
137.09599	2.1
145.02814	1.0
145.06479	3.5
145.10123	1.5
146.03653	5.3
146.07274	2.8
146.32433	0.6
147.04425	41.3
147.08054	6.4
147.11682	5.1
148.05243	1.4
149.02350	14.9
149.05997	5.5
149.09654	4.3
149.13254	1.0
151.07558	14.0
156.09337	0.8
157.03990	2.6
160.05199	1.7
161.05997	49.0
161.09558	3.2
161.13297	2.7
162.03137	1.3
162.06712	1.8
163.03914	4.8
163.07533	4.3
164.04707	19.4
164.08330	0.9
165.05421	1.5
165.12785	1.1
171.11661	0.8
174.03136	5.0
174.06773	1.4
175.02335	1.1
175.03928	37.5
175.07547	10.5
176.08339	100.0
177.05482	7.7
177.09090	5.3
178.07767	1.7
179.07066	16.8
179.08563	1.4
179.10664	2.8
189.05438	1.7
189.07236	0.8
189.09131	2.7
189.12706	3.8
189.16408	2.5
191.03445	1.2
191.07106	1.0
192.04213	8.6
192.07840	9.6
192.09422	1.0
207.06535	46.1
207.10161	44.3
207.13698	9.4
207.17316	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	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
51.19302	0.5
51.24708	0.4
53.03918	0.6
54.03447	1.0
55.01842	0.7
55.05497	0.4
56.05019	0.6
56.96523	0.6
58.74831	0.4
59.95753	0.4
65.03954	2.4
67.05509	22.4
67.05846	0.8
68.06266	0.6
69.07023	1.2
70.45771	1.6
70.49707	0.4
72.04474	0.6
79.05503	5.2
80.05012	0.8
81.07072	2.1
82.02938	3.0
82.06548	0.6
84.04465	1.9
91.05498	2.3
93.05763	1.5
93.07038	0.9
94.06573	2.3
95.04386	0.7
95.04974	13.8
95.08580	0.9
96.04008	0.4
96.04500	4.5
96.05074	0.8
96.05750	0.6
97.06516	0.8
98.97530	0.8
100.97348	0.4
103.05419	0.7
105.07033	2.7
106.06526	1.5
106.07324	0.6
107.07349	4.2
107.08537	1.5
108.08126	18.5
109.06500	0.6
110.02396	0.6
110.06061	7.3
115.05413	0.7
116.98625	0.4
117.05752	0.7
118.06549	0.7
119.04887	0.9
120.08071	0.8
121.02869	0.5
121.06492	0.4
121.08886	0.6
122.06004	1.7
122.06789	0.5
122.09679	6.9
122.10482	0.5
123.04432	2.3
123.08061	0.5
125.05956	0.6
131.04871	0.5
132.08052	1.3
133.06487	0.6
134.05995	1.4
135.06859	2.0
135.07690	0.4
136.07585	0.7
146.05977	0.7
146.10454	1.0
147.04410	0.7
148.07564	1.3
149.09659	0.7
150.02730	0.8
150.09149	34.8
151.60385	0.4
152.06984	0.6
160.07544	0.5
161.05956	0.9
163.06284	1.5
165.05562	0.4
174.05490	0.7
175.03926	0.8
176.08316	1.0
177.09097	0.6
178.08647	100.0
179.08986	1.2
189.09106	1.1
189.12694	0.5
191.05759	2.9
192.03951	0.4
197.01285	0.6
206.08171	69.4
206.11913	3.5
206.15649	1.3
207.06528	1.0
207.08472	1.1
207.13857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03939	2.2
55.05520	10.2
57.07077	4.7
59.75928	0.8
65.03930	1.7
67.05502	8.7
68.76201	0.8
69.06721	1.4
69.07077	17.1
69.87628	4.2
71.08630	1.1
75.24274	0.8
79.05059	1.2
79.05498	12.7
81.03419	0.9
81.07063	52.1
82.07380	0.7
83.08624	4.4
88.23948	0.7
91.05477	6.4
93.07050	47.5
95.08608	24.2
97.10191	3.8
105.07028	5.4
107.08604	26.2
109.06590	0.9
109.10166	17.7
109.37299	0.8
111.04457	0.8
111.11748	1.2
117.06992	1.1
119.08601	2.1
121.02863	2.7
121.03876	0.8
121.10152	100.0
122.10524	0.8
123.11722	11.8
124.59373	0.7
126.14662	0.9
135.11694	15.9
147.11690	1.1
148.80782	0.7
149.02357	15.9
149.13272	34.2
159.11713	2.4
163.14871	2.5
198.33676	0.8
200.71298	0.8
205.12238	1.5
205.15985	1.7
205.19537	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03942	2.9
55.01869	2.5
55.05262	1.2
55.05512	19.2
57.07076	8.5
59.05007	1.0
61.02931	5.6
65.03944	2.1
67.05168	1.4
67.05506	18.7
69.03423	3.9
69.07068	20.0
69.73370	4.1
71.04986	2.6
73.02925	1.1
77.03949	0.8
79.05493	17.4
81.03422	2.6
81.07059	49.6
83.04983	20.8
83.08626	7.8
85.02893	2.7
85.06542	2.3
87.04441	1.7
91.05486	15.7
91.24082	0.7
93.03381	0.8
93.07045	45.1
95.04956	3.9
95.08607	50.2
96.08945	1.9
97.02875	3.8
97.06535	5.1
97.10177	2.6
99.04472	1.2
99.08094	1.1
99.37927	0.8
101.02370	2.0
105.07036	35.1
107.04974	2.2
107.08598	61.4
109.02876	1.8
109.06513	11.2
109.10159	28.3
111.04449	1.4
111.08083	9.1
113.05919	0.8
115.03928	1.6
115.05458	1.9
117.07027	8.5
119.08588	24.8
120.08909	1.2
121.02873	1.8
121.06533	9.3
121.10150	47.4
123.04427	2.8
123.08076	27.1
123.11710	100.0
124.12041	1.9
125.09592	3.8
127.03925	14.6
129.06973	2.3
130.07796	1.3
131.08577	13.0
133.10143	8.6
135.04465	1.0
135.08064	41.0
135.11699	59.8
136.08426	1.3
136.11975	1.5
137.09630	9.1
139.03883	2.5
141.05447	1.9
143.08542	1.4
144.09331	2.4
145.06494	2.4
145.10133	25.6
145.11290	1.3
147.08064	2.4
147.11690	33.2
148.12039	1.2
149.02348	14.0
149.05988	2.7
149.09627	18.5
149.12195	1.0
149.13278	14.7
150.74028	0.8
151.03955	1.1
157.10155	2.2
158.10915	1.4
159.08061	1.9
159.11697	17.2
161.09583	2.4
161.13260	9.6
162.10397	1.5
163.07550	1.9
163.11179	9.3
163.14853	8.8
169.04985	2.6
172.12502	2.6
175.11270	2.0
177.12755	2.9
177.16393	8.8
186.93445	0.8
187.06137	1.3
187.11249	3.7
187.14825	34.3
190.13551	1.8
205.06967	1.4
205.08623	1.5
205.10347	1.6
205.12309	8.8
205.15898	61.9
205.19548	8.5
206.16270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.63297	0.9
53.03949	2.5
53.27653	0.8
55.01879	1.2
55.05513	8.5
57.07079	5.7
61.02933	6.8
65.03918	1.2
67.05514	12.2
69.03429	2.0
69.07074	18.9
70.15225	2.3
70.15638	1.6
70.53081	0.8
71.05009	1.0
71.08622	1.4
72.93797	2.2
73.02905	0.8
75.57095	0.9
75.68781	0.9
79.05505	12.7
81.03410	3.2
81.07061	50.1
83.05000	1.9
83.08628	4.6
84.04488	0.9
85.02948	1.4
91.05496	8.9
93.07050	51.6
95.04980	2.6
95.08614	23.9
97.02887	3.5
97.10191	5.5
99.04489	1.9
101.02399	2.1
105.07039	9.0
107.08603	29.6
109.02889	2.0
109.06612	0.9
109.10165	21.0
111.04455	2.0
111.11736	1.4
113.96394	3.5
115.03934	2.1
117.07030	2.1
119.08559	4.3
121.02877	2.8
121.06528	2.4
121.10152	100.0
122.10494	1.8
123.04459	2.5
123.08082	1.0
123.11709	10.4
127.03933	14.4
127.05902	1.2
131.08594	3.6
131.97485	2.0
133.10107	2.0
135.04391	1.3
135.08049	1.3
135.11700	16.9
139.03915	2.6
145.10126	2.7
147.11679	3.8
149.02344	17.7
149.09621	2.0
149.13268	37.2
151.03967	1.7
159.11703	4.6
163.11147	1.3
163.14886	4.5
169.04990	3.7
187.11159	1.4
187.14905	1.4
205.07065	1.1
205.10657	0.9
205.12465	4.7
205.14200	1.7
205.15878	7.6
205.19582	15.7
216.54675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03940	3.2
53.15471	1.2
54.03075	1.6
55.05515	28.0
57.07080	10.1
64.22665	1.4
67.05511	28.1
69.06729	2.8
69.07076	45.2
69.48146	10.9
69.75859	1.3
71.08635	4.2
72.84334	1.4
72.93783	3.0
79.05071	1.5
79.05503	21.9
81.07066	60.5
83.08630	18.2
85.64497	1.5
90.94837	1.7
91.05476	13.2
93.07053	79.7
95.04986	2.2
95.08616	65.7
97.10178	15.6
98.21417	3.6
105.07043	10.6
107.08601	76.1
107.58555	1.4
109.06519	2.2
109.10167	59.5
111.11692	5.8
113.96410	5.4
119.08597	4.1
121.10155	84.7
123.11718	26.8
127.03931	2.2
131.97449	2.4
133.10129	2.5
135.10681	3.0
135.11703	60.4
137.13257	3.4
145.10161	1.7
147.11728	2.7
149.02374	9.7
149.13275	100.0
159.11717	2.4
163.14835	13.4
195.18091	1.5
205.15948	3.2
205.19531	64.1
206.19696	1.4
219.66920	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03943	2.1
55.05302	1.5
55.05520	16.0
57.07077	4.4
61.42433	1.3
66.67007	1.3
67.05510	25.7
69.07072	26.2
70.65942	4.9
79.05499	19.8
81.07064	68.9
83.08626	8.8
91.05474	8.2
93.07049	64.8
93.07637	3.6
95.08616	80.8
97.10178	6.9
105.07022	5.7
107.08601	41.2
109.10157	58.9
119.08664	1.7
121.10152	100.0
123.11713	32.5
135.11699	29.9
143.53407	1.7
145.03584	1.6
149.13269	61.6
163.14842	4.6
205.19543	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
50.47836	0.9
53.03944	1.9
55.01383	1.0
55.05518	11.6
55.36262	1.0
57.07072	4.1
67.05516	10.5
69.07071	20.8
69.87586	5.9
79.05502	13.6
81.07065	51.8
83.08629	9.4
90.17587	1.1
91.05479	5.6
93.07053	50.3
95.04976	1.3
95.08609	28.7
97.10183	5.0
99.88667	1.0
105.07024	4.4
107.08602	37.3
109.10162	22.7
111.11752	2.4
121.10151	100.0
123.11714	14.9
133.39320	1.1
135.11707	22.9
136.23589	1.1
137.13252	1.4
143.45197	1.1
149.02322	1.9
149.13271	52.4
163.14789	5.5
205.19569	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	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03941	2.7
55.05515	18.5
56.47718	1.2
57.07077	7.1
60.11416	1.5
60.75057	1.2
61.63622	1.3
67.05510	14.8
69.07074	24.1
71.08633	1.6
71.17425	3.3
79.05492	15.0
81.07064	51.1
83.08622	22.9
91.05473	10.8
93.07053	65.0
95.04972	1.9
95.08614	36.6
97.10205	7.3
105.07041	7.9
107.08604	61.7
109.10168	41.3
109.10922	2.2
111.11702	4.4
121.10153	100.0
122.10435	1.6
123.11719	24.2
131.03441	1.8
135.11705	38.1
137.13356	1.2
149.02348	2.6
149.13271	95.3
163.14838	10.2
177.16438	1.7
205.12114	1.4
205.19540	42.0
216.34450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.05517	9.8
55.21744	0.8
57.07074	2.5
62.43187	1.0
65.03925	1.2
67.05228	1.0
67.05517	10.9
69.07079	15.6
69.87749	3.8
71.08617	0.9
79.05492	11.9
81.07064	49.8
82.07396	1.1
83.08615	7.2
83.74011	0.8
85.84393	0.8
91.05498	7.9
93.07053	47.8
95.04947	0.9
95.08611	24.7
97.10190	5.2
98.21565	1.0
105.07055	4.9
107.08606	34.0
109.09454	1.5
109.10160	19.2
111.11731	2.1
117.07042	1.8
119.08611	1.8
121.02830	0.8
121.10154	100.0
122.10467	1.0
123.11717	12.6
131.08577	1.9
135.11714	18.1
137.13254	1.1
149.02373	6.5
149.06198	0.8
149.13269	42.6
153.77234	0.9
159.11699	3.1
163.14813	2.7
205.12302	2.1
205.19536	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03941	4.9
55.05515	22.8
57.07084	12.1
61.02925	2.7
67.05507	19.6
69.06726	2.8
69.07073	32.4
70.73145	2.9
70.73479	2.9
71.08629	2.5
71.91443	1.5
72.93776	2.5
78.00117	1.4
79.05492	22.0
81.03412	1.7
81.07063	64.9
83.04992	2.4
83.08625	28.7
91.05483	11.9
93.07053	73.8
95.04965	4.0
95.08611	48.6
97.02901	1.5
97.10174	8.2
105.07062	10.4
107.08603	81.2
108.54746	1.5
108.79372	1.5
109.06553	2.0
109.09464	3.0
109.10165	48.0
111.04450	1.5
111.11727	3.3
113.96414	7.3
117.06988	2.7
119.08591	3.1
121.02851	1.7
121.10151	77.4
123.04414	1.9
123.11720	90.1
127.03890	4.7
131.08589	3.8
131.97432	2.8
133.10167	2.7
135.11700	75.6
136.11966	2.0
137.13284	2.6
139.29330	1.5
147.11688	5.1
149.02353	11.9
149.13268	100.0
159.11649	2.5
161.13135	1.6
163.14853	10.3
169.04988	2.0
187.14784	2.8
205.12193	3.2
205.15915	5.8
205.19551	49.1
211.26282	1.7
218.40501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
55.05518	6.4
57.03445	1.0
65.03931	1.1
67.05506	5.6
69.03462	0.9
69.07071	4.3
70.63528	2.1
70.63861	1.2
71.04999	2.0
79.05499	6.9
81.07061	14.0
83.04998	2.1
83.08612	2.2
90.78908	0.9
91.05492	17.2
93.07058	18.0
95.04963	1.0
95.08616	12.8
97.06527	2.4
105.07042	80.0
107.08611	23.4
109.06516	4.6
109.10161	3.3
111.08087	4.6
115.05518	1.6
117.07025	6.4
119.08595	40.8
121.06498	1.6
121.10149	7.7
123.08082	3.7
123.11692	1.3
127.03973	1.0
128.06111	1.2
129.07042	1.5
130.07787	1.9
131.08577	20.9
133.10129	6.1
135.08047	1.7
135.11713	2.7
143.08582	2.3
145.10136	31.5
147.11702	100.0
149.02411	1.2
149.05998	4.9
149.09628	6.2
157.10165	1.9
159.11705	29.7
161.13280	5.7
161.14415	1.1
163.07516	1.4
163.11153	2.6
163.14836	1.5
177.12801	1.1
177.16377	1.0
187.14839	66.0
188.15187	1.0
205.12183	2.3
205.12520	1.8
205.15898	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03940	3.1
55.01860	3.9
55.05290	1.4
55.05516	14.1
57.03433	4.6
57.07085	9.8
59.05020	2.1
61.02938	2.9
65.03943	2.3
67.05511	20.2
69.03413	4.0
69.06783	1.6
69.07072	16.7
69.88773	8.0
71.04993	7.5
79.05126	1.9
79.05499	21.0
81.03411	3.7
81.07066	42.2
81.74052	1.4
83.04989	8.4
83.08612	5.7
85.02914	2.1
85.06557	10.7
91.05486	33.2
92.05811	1.6
93.07053	52.2
95.04964	5.8
95.08614	39.8
96.08942	4.1
97.02892	4.1
97.06522	6.8
97.09261	1.9
97.10164	3.6
98.21472	1.9
99.08053	2.5
101.02399	1.9
103.05448	2.3
105.07043	59.6
106.07360	4.3
107.04948	2.6
107.08602	59.5
107.96236	1.5
108.08945	3.2
108.21002	1.9
109.02872	3.0
109.06521	8.5
109.10167	15.6
110.10464	3.3
111.04435	3.7
111.08076	5.4
112.37171	1.7
115.05456	6.2
117.07023	20.4
119.08595	49.3
119.09451	2.3
120.08895	2.9
121.02869	2.5
121.06525	10.2
121.09355	2.2
121.10149	48.4
123.04462	2.6
123.08120	7.9
123.10834	2.2
123.11712	23.8
124.35934	1.4
125.09674	1.6
127.03941	14.5
129.07005	3.0
130.07797	3.4
131.08577	35.0
133.10146	19.9
135.04396	1.8
135.08104	13.5
135.11710	34.5
137.09618	3.2
139.03845	2.0
143.08525	4.2
144.09343	5.0
145.06477	8.9
145.10133	62.0
146.10605	2.1
147.08008	2.5
147.11708	54.1
148.12013	6.2
149.02361	28.4
149.06010	2.3
149.09634	20.1
149.12318	6.3
149.13364	10.2
158.10901	1.7
159.08076	2.2
159.11710	87.0
161.13283	17.3
162.13658	1.6
163.07570	2.7
163.11244	8.8
163.14862	13.6
169.05106	2.1
172.12503	2.7
173.05992	3.5
177.12807	6.9
177.16431	9.7
187.11198	6.4
187.14844	73.9
205.05008	1.6
205.08624	6.2
205.12357	20.1
205.15894	100.0
205.18562	12.2
206.08015	1.7
206.16185	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03942	1.1
55.01868	1.5
55.05501	1.9
57.03425	0.7
57.07067	1.3
59.05007	0.7
61.02938	2.6
65.03952	0.9
66.94494	0.5
67.05492	2.3
69.03427	1.4
69.07072	4.4
70.75728	0.6
70.76061	1.0
71.04984	0.6
71.06119	0.5
77.30495	0.5
79.05480	3.7
81.03409	1.5
81.07066	4.5
83.04980	1.4
83.08609	1.8
85.02892	0.7
85.06525	0.5
91.05487	6.6
93.07053	9.3
95.04955	1.5
95.08605	5.6
97.02896	1.7
97.06522	1.2
99.04447	1.0
105.07035	17.8
107.04953	1.9
107.08604	8.7
109.02898	0.7
109.06477	0.7
109.10184	2.4
111.04478	0.5
111.08084	1.1
113.96378	0.5
115.03905	0.7
117.07027	4.1
119.04933	0.6
119.07790	0.8
119.08589	10.2
120.05737	0.9
121.02833	1.1
121.06515	8.2
121.10143	6.1
123.04388	0.6
123.08092	1.3
123.11694	1.4
127.03930	6.7
128.06216	0.7
129.06998	1.9
130.07793	0.9
131.08588	7.3
133.06505	3.0
133.10139	3.3
135.08086	5.0
135.11699	5.1
139.03931	1.1
143.08545	1.2
144.09326	1.7
145.06485	1.0
145.10133	14.7
147.08060	9.5
147.11700	16.7
149.02350	6.2
149.06042	0.8
149.09628	9.8
149.13263	1.5
151.03964	0.6
159.08075	0.7
159.11713	6.3
160.48688	0.5
161.09639	4.4
161.13245	1.7
162.10411	23.1
163.11203	11.0
163.14859	0.8
166.43272	0.6
169.04967	0.9
177.12762	1.4
177.16370	0.7
187.11212	1.0
187.14853	12.1
205.12160	2.8
205.15892	100.0
206.16275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	1.0
55.05514	5.2
56.96548	0.8
57.03413	0.9
57.07071	2.1
59.04991	0.8
61.02927	0.7
64.23555	0.6
65.03940	1.5
67.05500	4.5
69.03419	1.0
69.07072	3.7
70.68028	0.8
70.68391	1.6
71.04969	1.5
72.08148	0.8
79.05498	8.1
81.03413	1.2
81.07062	7.7
83.08635	0.6
85.02885	0.7
91.05486	18.3
93.07040	9.9
95.04937	2.0
95.08617	4.6
97.02897	0.7
97.06566	1.0
99.04462	1.0
100.07909	0.5
103.05476	6.4
105.07035	54.2
106.07378	0.8
107.04937	1.1
107.08593	7.8
109.06505	1.5
109.10154	2.0
111.04466	0.8
111.08077	1.7
115.05457	15.0
116.06245	0.8
117.07021	35.5
119.08584	38.3
121.02892	1.3
121.06523	5.5
121.10139	3.1
123.04417	1.2
123.08108	0.8
123.11675	0.6
125.06003	1.0
127.03886	1.6
128.06204	1.1
129.07010	5.5
130.04138	1.9
130.07809	4.8
131.04927	2.7
131.08575	29.2
133.10136	14.7
135.04440	0.9
135.08067	2.8
135.11682	2.0
142.07787	1.1
143.08527	2.2
144.05768	0.8
144.09341	12.9
145.06490	24.3
145.07649	1.2
145.10129	10.5
146.10802	0.6
147.08052	1.7
147.11719	3.4
149.02361	10.9
149.05983	11.9
149.09612	2.4
149.13254	1.8
155.06036	3.8
157.10138	2.9
158.07216	1.2
158.53186	0.7
159.08141	4.5
159.11696	100.0
160.12045	0.9
161.05992	1.6
161.09621	1.5
161.13255	14.1
163.07550	9.2
163.11183	1.4
163.14847	1.1
169.10126	1.0
172.08775	1.7
173.02324	1.2
173.06012	15.2
176.06320	0.9
177.09116	4.4
177.12766	8.3
177.16212	1.0
187.07585	0.9
187.11195	26.2
187.14769	3.5
188.11624	0.7
190.06299	2.8
205.06577	2.8
205.08624	11.8
205.12250	46.1
205.15868	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	205.1225
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.78925	0.5
53.03941	0.6
55.01876	1.4
55.05511	2.9
55.36172	0.5
57.03434	1.9
57.07064	0.9
65.03947	1.3
67.05505	4.3
69.03438	2.2
69.07060	1.2
69.61478	1.8
69.61890	1.8
71.04997	3.4
72.47698	0.5
79.05493	4.8
81.07060	2.6
83.04977	0.9
85.02907	6.4
85.06551	0.8
91.05485	17.4
93.07038	4.5
95.04957	1.8
95.08606	2.7
97.06569	0.9
97.10166	0.6
98.21526	0.6
99.04453	1.5
100.39330	0.6
103.05488	2.0
105.07035	28.6
107.04973	1.4
107.08572	4.1
109.06525	1.2
109.10156	0.9
110.80768	0.6
111.04388	0.6
115.05456	5.7
116.06220	2.2
117.07025	25.7
119.08590	11.1
121.02919	0.9
121.06523	3.4
121.10157	2.5
125.06007	0.7
128.06224	4.0
129.07001	8.8
130.07808	13.3
131.04962	1.5
131.07588	1.4
131.08574	26.8
132.09361	0.6
133.06482	0.8
133.10127	6.3
135.08070	2.8
135.11719	1.0
141.06964	3.2
142.07774	1.2
143.08571	9.3
144.05634	0.7
144.09355	6.4
145.06482	4.4
145.10129	100.0
146.07277	2.3
146.10568	1.4
147.08070	1.3
147.11662	0.9
149.02353	4.7
149.06000	1.0
149.09560	1.1
154.07779	5.5
155.06056	1.0
157.10161	1.8
158.07278	1.1
159.06790	0.9
159.08058	5.6
159.11705	29.5
161.09581	3.2
162.10448	0.9
163.07558	1.3
163.11205	5.7
169.10121	5.5
172.08836	2.4
175.11191	1.1
177.06908	0.7
177.09106	1.2
177.12733	2.0
187.07558	0.7
187.11185	19.9
187.14792	1.2
205.04762	0.6
205.06479	2.4
205.08560	2.2
205.12245	39.8
205.15851	2.9
206.53378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03948	2.5
55.01872	0.7
55.05518	1.1
57.07064	1.3
61.02927	1.6
65.03945	0.7
65.38774	0.3
66.07372	0.2
66.12473	0.2
66.92357	0.3
67.05511	1.3
68.99803	0.3
69.03439	1.0
69.07069	0.9
70.69325	0.3
70.69654	0.5
71.05000	0.4
77.03917	0.6
79.05482	1.8
81.03430	1.0
81.07056	1.7
83.04978	0.9
83.08567	0.2
85.02913	0.6
87.04489	0.3
91.05484	13.7
93.07047	50.6
94.07378	0.5
95.04971	3.8
95.08602	1.5
97.02892	1.1
99.04470	0.3
101.02339	0.3
103.05479	0.5
103.18446	0.3
105.04524	1.2
105.07030	3.5
107.04980	0.4
107.08597	2.7
109.02855	0.6
109.06516	0.8
109.10169	0.6
111.04478	0.7
115.03898	0.4
115.05442	1.2
116.06268	0.3
117.07024	2.7
119.08600	3.5
121.02868	0.8
121.06508	100.0
121.10101	1.7
122.06876	1.0
123.04443	0.5
123.08112	0.3
123.11712	0.4
127.03920	4.1
128.06227	0.3
129.07083	1.2
130.07780	0.4
131.04895	0.3
131.08577	3.8
133.06450	0.3
133.10143	1.3
135.04449	0.6
135.08083	1.4
135.10799	0.3
135.11732	1.1
139.03957	0.9
141.05528	0.4
143.08606	0.4
144.05730	0.7
144.09355	2.5
145.06480	2.5
145.10144	3.5
147.08124	0.7
147.11751	1.2
149.02353	6.0
149.03500	0.5
149.06007	0.7
149.09602	1.7
149.13354	0.4
151.03914	0.6
159.08067	1.6
159.11693	7.1
161.06029	0.5
161.09619	1.0
161.13257	1.0
163.04008	0.4
163.07550	0.8
163.11191	2.6
163.14926	0.3
167.23253	0.3
169.04932	0.5
169.10139	0.4
172.08879	0.8
173.06006	1.1
175.07535	0.4
176.06238	0.3
177.05630	0.3
177.06934	1.2
177.09163	0.4
177.12793	1.8
187.07549	0.6
187.11177	5.0
187.14859	1.3
190.06279	0.4
190.10007	0.3
205.04893	0.6
205.06578	2.2
205.08641	2.4
205.12251	23.7
205.15851	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	205.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.0
54.64772	2.9
55.01882	26.6
55.05506	8.9
55.08905	3.6
57.03446	22.7
57.07081	4.2
59.05014	7.7
60.04525	5.7
61.02930	55.7
65.03947	8.2
67.05510	17.4
68.99780	4.6
69.03434	79.0
70.06566	3.4
71.01360	7.2
71.04987	12.6
72.08159	8.7
73.02922	29.7
79.05498	6.8
81.03427	44.6
82.88078	3.4
83.04989	24.9
84.04532	4.2
85.02911	57.6
85.06574	3.3
87.00830	4.8
87.04478	21.7
91.03981	10.2
91.05498	4.6
93.03447	4.6
95.04981	24.8
97.02903	72.0
99.04455	32.4
101.02401	28.9
101.06079	4.3
102.14520	3.0
102.61028	3.4
103.03947	7.0
107.04932	3.9
109.02885	27.4
111.04451	43.0
113.02381	15.7
113.06009	6.4
115.03941	44.8
115.19440	3.0
119.01922	7.8
121.02933	3.3
123.04441	47.7
125.02341	3.1
127.03931	100.0
129.05479	3.7
131.01933	7.6
132.76187	3.2
133.03435	3.3
139.03912	26.1
141.03969	4.0
141.05478	14.6
145.05003	13.8
146.08150	5.2
149.02299	25.7
150.04504	4.2
151.03908	32.7
157.05009	15.0
159.11716	4.3
160.09660	4.2
161.03008	5.5
168.62956	3.2
169.04968	61.5
170.08202	4.6
177.12688	4.1
187.06039	34.4
205.05431	4.0
205.07120	17.9
205.08859	7.0
205.12338	8.0
215.00464	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	204.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.2
55.01854	1.4
55.05520	8.9
55.48749	1.1
56.05835	3.2
56.96565	6.4
57.07060	3.5
60.04530	14.5
61.02923	1.4
65.03918	1.8
67.05510	13.1
68.05039	1.9
68.05841	6.5
69.03417	1.9
69.07072	12.9
69.53104	1.7
69.53511	5.2
70.07394	3.5
79.05488	9.3
80.05841	5.0
81.06585	1.6
81.07065	29.5
82.07389	14.5
83.04967	4.8
83.08617	3.7
84.04511	8.9
84.08947	2.8
85.02902	2.0
85.81689	1.2
91.05490	13.2
92.05823	11.3
93.07058	13.6
94.07384	9.9
95.04982	1.5
95.08617	39.6
96.04478	3.2
96.08360	2.0
96.08942	26.6
97.02871	5.0
98.06049	1.4
105.07042	43.4
106.06672	2.1
106.07375	40.5
107.08609	17.3
108.08931	16.5
109.06509	2.5
109.10169	19.8
110.06050	1.0
110.10494	20.6
111.08087	1.8
114.05532	4.2
115.05449	2.2
117.07029	5.5
118.07362	3.8
119.08594	24.6
120.08923	36.9
121.06488	3.4
121.10157	16.2
122.10486	13.9
123.08067	3.7
123.11690	4.4
124.12048	5.1
126.05527	10.1
127.03931	1.7
129.06999	3.1
130.07286	1.5
131.08578	6.8
132.08878	6.7
133.10147	20.5
134.10477	33.5
135.08049	9.3
135.11693	3.5
136.12003	3.5
138.05479	1.5
142.07661	1.6
143.08064	9.3
145.06496	1.2
145.10191	6.6
146.06749	1.6
146.10478	6.8
147.08069	1.5
147.11700	24.3
148.06488	1.2
148.12036	62.1
149.02390	5.3
149.09624	3.0
152.04895	1.5
157.10187	2.3
158.10486	14.0
158.30444	1.0
159.08087	5.4
159.11707	6.3
160.08548	1.3
160.12019	6.7
161.05502	1.5
161.09633	1.3
161.13213	6.3
162.09955	4.9
162.13622	18.2
163.11116	1.4
168.06624	1.1
170.05994	7.1
172.56099	1.8
175.14696	1.9
176.15175	7.2
177.16374	1.4
181.56735	2.0
186.07547	1.3
186.10030	3.2
187.11203	2.0
187.14838	3.3
188.10738	2.2
189.11569	3.1
204.06747	1.4
204.08652	3.6
204.10976	9.4
204.13765	20.9
204.18304	100.0
205.08554	2.6
205.12251	3.0
205.15927	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	203.1796
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.03959	0.9
55.05516	7.5
57.07067	2.1
67.05170	1.1
67.05505	10.5
69.07072	8.9
70.45628	2.5
71.08640	1.0
79.05507	4.9
81.07066	16.5
83.08621	3.4
91.05491	13.8
93.07047	11.6
95.08613	35.5
103.05479	1.3
105.07037	65.1
107.08601	14.9
109.10165	20.5
115.05493	1.6
117.07015	3.1
119.08589	48.5
121.10146	10.9
123.11718	3.8
128.06258	1.7
129.07016	3.3
131.08569	9.4
133.10138	41.8
135.11717	1.8
142.07797	3.0
143.08582	2.8
144.09383	1.0
145.10138	9.7
146.10927	1.6
147.11697	100.0
148.12006	1.0
157.10150	5.6
159.11710	2.3
160.12508	4.5
161.13284	16.4
174.14194	0.9
175.11166	2.0
175.14854	5.0
184.32095	0.6
185.05882	0.7
185.09625	2.3
185.13388	0.8
188.08165	0.7
188.15657	0.9
195.37810	0.8
203.07089	1.0
203.10672	6.9
203.14215	2.6
203.17973	94.4
204.18251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03926	1.0
55.05304	0.8
55.05521	10.1
57.07067	2.9
59.85225	0.9
64.85850	1.2
64.87747	0.9
65.03947	1.1
67.05186	1.1
67.05515	17.2
69.07078	13.0
70.43887	2.8
72.46837	1.0
78.78061	1.0
79.05503	6.6
81.07069	23.7
83.08630	2.8
91.05494	17.7
91.78651	0.9
93.07059	13.6
95.08620	41.1
96.08967	1.1
97.10153	1.7
100.94783	0.9
105.07041	76.1
107.08607	19.2
109.06521	1.2
109.09461	2.0
109.10171	32.0
117.07021	4.8
119.08593	66.3
121.10152	14.6
123.11720	10.0
131.08577	9.3
133.10143	44.4
135.11725	3.0
143.08592	2.5
144.09401	1.1
145.10150	11.2
146.10867	1.2
147.11705	100.0
157.10172	2.4
159.11726	5.1
160.12560	5.1
161.09691	2.2
161.13293	23.7
170.10938	1.0
174.14059	1.6
175.14859	4.4
185.13248	3.2
199.11734	1.4
203.10791	1.7
203.14464	9.4
203.17984	92.8
204.18295	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.29315	0.7
53.03946	1.3
55.05509	4.3
57.07076	0.9
57.30972	0.7
59.06161	0.6
62.97547	0.7
63.36048	0.8
65.03916	0.8
67.05178	1.2
67.05511	16.9
69.07070	7.0
69.89384	0.8
70.05233	1.8
70.05630	1.4
79.05500	6.1
81.07063	28.3
83.08613	1.8
91.05477	10.8
93.07052	19.5
95.04975	0.9
95.08614	56.9
97.10188	1.6
101.14153	0.7
105.07034	40.1
107.08601	37.8
109.10166	36.7
119.08589	30.2
120.04934	0.9
121.10146	17.2
123.11717	7.7
127.35132	0.8
131.08502	1.0
133.10139	23.1
135.11713	3.1
145.10101	2.0
147.11693	41.1
159.11667	0.9
161.13274	19.8
167.22585	0.7
175.14847	9.5
203.17969	100.0
204.18301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.54613	1.1
55.05518	8.4
57.07072	4.5
67.05511	12.9
69.07077	12.5
70.60143	4.0
71.08633	1.7
72.62289	1.4
79.05496	8.0
81.07067	29.7
83.08636	3.0
91.05493	18.1
93.07050	13.0
95.08621	39.2
97.10143	1.3
98.21329	1.8
103.05395	1.6
103.55367	1.1
105.07043	100.0
107.08598	20.0
109.10164	35.8
117.07029	2.2
119.08597	48.7
121.10147	16.8
123.11726	5.1
131.08595	3.1
133.10147	44.2
135.11694	4.0
145.10106	6.2
147.11702	77.2
159.11739	2.5
160.12492	1.7
161.13289	23.5
175.14864	12.4
203.17982	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05511	6.9
57.07069	2.5
67.05167	1.5
67.05505	17.8
69.07072	15.1
69.63488	1.4
71.46442	1.7
79.05493	8.6
81.07062	44.6
83.08618	4.1
91.05479	14.4
93.07042	15.3
95.08612	37.6
97.35075	1.1
105.07038	56.9
107.08596	19.8
109.09464	1.8
109.10166	28.3
117.06999	3.4
119.08583	44.1
121.10143	20.8
123.11724	10.9
131.08536	5.6
133.10130	41.4
135.11693	4.6
145.10138	10.4
146.10861	1.4
147.11693	81.5
159.11700	3.6
160.12477	8.4
161.13268	24.4
175.14833	4.3
188.15683	1.1
189.10336	1.1
203.17961	100.0
204.18344	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03936	1.7
55.05512	8.5
57.07069	1.7
59.79271	1.0
67.05508	14.7
67.58593	0.9
69.06734	1.6
69.07077	20.2
69.34007	0.9
69.57823	7.5
72.72998	1.0
78.92404	0.9
79.05498	11.6
81.07063	35.7
83.08614	3.7
83.48118	1.0
91.04975	1.3
91.05493	16.6
92.31461	1.0
93.07053	18.3
95.08620	37.0
97.10199	1.7
105.07041	59.9
107.08609	22.4
109.10166	27.0
117.07024	3.5
119.08588	45.4
121.10146	16.5
123.11694	6.0
131.08571	5.4
133.10146	41.1
135.11684	3.9
145.10133	10.9
147.11703	88.1
159.11700	3.5
160.12508	9.2
161.13277	23.3
175.14771	6.9
203.17976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03960	2.0
54.62395	1.3
55.05508	7.4
57.07071	1.7
61.93740	1.2
63.35660	1.5
67.05516	21.8
69.07076	18.7
71.10424	2.2
77.03905	1.3
79.05498	12.0
81.07065	52.1
83.08620	4.8
91.05490	19.6
93.07054	23.7
95.08617	87.1
102.37049	1.3
105.07041	69.0
107.07871	1.7
107.08606	35.2
109.06531	2.0
109.10177	40.8
117.07048	3.3
119.08592	48.1
121.10153	23.5
123.11731	10.1
131.08572	3.3
133.10143	54.7
135.11691	3.7
143.08559	1.7
145.10103	7.0
145.73643	1.4
147.11702	77.4
148.12239	1.6
152.88492	1.2
159.11707	4.1
160.12485	3.6
161.13281	20.6
170.69969	1.3
173.55440	1.4
175.14891	7.7
185.13330	1.7
203.10669	2.0
203.17982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05509	13.1
57.07076	3.5
67.05179	1.7
67.05510	27.6
69.07072	16.1
70.44671	1.7
70.45010	2.9
75.40277	1.4
79.05503	12.1
81.07061	40.4
83.08617	5.0
91.05486	18.6
93.07052	18.5
94.75756	1.4
95.08613	63.3
96.63799	1.6
105.07034	99.0
107.08599	27.9
109.10163	66.8
109.10923	3.2
110.10509	1.8
112.22403	1.6
117.06957	1.4
119.08590	72.4
121.10149	23.9
123.08115	1.7
123.11714	12.5
131.08582	4.7
133.10129	50.8
135.11710	5.0
137.01031	1.4
145.10126	10.0
147.11697	91.7
159.11737	3.6
160.12482	5.1
161.13260	27.1
174.13956	1.8
175.14821	7.9
203.17963	100.0
204.18277	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1433
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03952	1.4
55.01879	1.1
55.05512	12.0
57.07068	3.1
65.73086	1.2
67.05516	16.3
69.03454	1.6
69.07073	12.5
69.49114	8.3
71.04987	5.4
79.05499	13.6
81.06596	1.4
81.07060	27.4
83.04951	1.9
83.08604	4.6
85.06550	3.2
91.05486	32.7
93.07042	20.7
95.04949	4.0
95.08611	41.2
96.30067	0.9
96.71290	1.3
97.06543	1.6
97.10159	1.5
103.05457	2.5
105.07036	83.8
107.08597	20.6
109.06520	4.4
109.10163	28.5
115.05441	4.8
116.06230	2.0
117.07019	17.3
118.07710	1.2
119.08589	80.2
121.06514	2.2
121.10143	16.0
123.08073	3.3
123.11723	5.9
128.06230	7.9
129.07027	15.1
130.07748	5.4
131.08572	26.3
132.05676	1.3
132.09282	1.2
133.06500	2.3
133.10138	100.0
133.65254	1.2
135.08026	1.8
135.11667	4.1
141.07014	3.9
142.07794	22.0
143.08585	24.2
144.09332	3.0
145.06479	6.7
145.10133	46.3
146.07242	2.4
146.10538	1.1
147.08084	8.8
147.11697	76.7
155.08568	3.7
156.09332	4.3
157.06413	1.5
157.10135	43.1
159.08060	14.5
159.11687	29.5
160.05122	1.8
160.08836	5.1
160.12427	4.1
161.05997	1.6
161.09641	24.0
161.13269	33.3
162.13660	1.2
170.07219	1.5
170.10944	8.5
173.13284	1.8
175.07567	4.3
175.09023	1.1
175.11206	8.2
175.14807	8.2
185.09644	12.4
185.13272	40.2
188.04640	1.1
188.08339	1.6
203.07033	3.8
203.10710	20.5
203.14336	71.7
203.17969	74.0
204.14502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.02368	1.1
52.54416	0.9
52.73318	0.8
53.03937	1.6
55.01870	3.2
55.05310	0.8
55.05519	10.0
57.03444	1.5
57.07071	3.3
60.04517	2.0
63.27225	0.7
64.00233	0.8
65.03924	2.0
67.05509	14.7
68.05031	0.9
69.03419	2.5
69.07075	12.1
71.04984	3.5
71.56401	1.5
74.33151	0.8
75.85176	0.8
76.91101	0.9
77.03896	0.8
79.05500	14.3
81.07063	32.6
83.04972	3.4
83.08618	3.0
85.06548	1.4
91.05490	32.9
93.07052	24.3
93.17530	0.9
95.04965	3.7
95.08615	38.5
97.02885	1.0
97.06551	4.4
103.05457	3.8
104.06242	1.1
105.07040	96.4
106.07343	1.2
107.04982	1.5
107.08605	28.0
109.06532	10.9
109.10159	15.9
111.08096	2.0
115.05458	7.4
116.06175	0.9
117.07027	20.8
119.04948	3.4
119.08592	77.9
121.06501	4.4
121.10161	14.0
123.08083	7.2
123.11721	2.4
128.06233	17.7
129.07021	20.2
130.07811	6.8
131.07584	1.5
131.08578	28.3
133.06508	5.4
133.10147	45.1
135.08035	3.2
135.11687	2.8
136.06181	1.4
141.07008	3.8
142.07793	14.9
143.04948	1.1
143.08574	42.3
144.09387	4.8
145.06497	6.7
145.10135	77.4
146.07213	1.5
147.04425	2.1
147.08055	14.2
147.11700	79.2
155.06047	1.4
155.08549	3.8
156.09349	4.1
157.06543	1.3
157.10144	33.9
158.10805	0.9
159.08014	1.7
159.11717	25.1
160.05263	2.2
160.08882	1.1
160.12454	3.4
161.06026	4.2
161.09639	15.7
161.13271	32.6
162.06778	1.5
167.15450	0.9
170.10944	7.4
171.08078	6.6
173.06049	1.8
174.06807	2.1
175.07545	4.7
175.11197	7.5
175.14856	11.2
176.06273	1.5
185.09779	4.0
185.13278	51.9
186.13672	1.2
188.04678	2.4
188.08342	4.2
188.12053	1.8
189.05525	1.2
203.03363	1.2
203.06934	6.8
203.10707	28.0
203.14342	100.0
203.17969	56.4
204.05667	1.2
204.14085	1.3
204.18437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.36590	1.1
53.03913	1.5
55.05510	11.9
57.07059	3.4
60.03539	1.1
67.05511	16.6
69.03412	2.2
69.06785	1.2
69.07070	14.5
70.69093	3.4
73.72381	1.3
75.22121	1.2
76.00929	1.1
79.05492	11.0
81.07058	37.7
83.04939	1.4
83.08611	3.7
91.05485	31.3
93.07053	26.2
95.04944	3.7
95.08612	44.9
97.06561	1.6
97.10172	1.3
105.07036	89.9
106.07384	1.6
107.04937	1.5
107.08598	26.3
109.06495	4.5
109.10162	29.8
109.10906	1.5
111.08072	1.4
115.05444	2.7
117.07024	10.7
119.08585	71.6
120.08913	1.7
121.06482	3.6
121.10144	18.5
123.08031	3.2
123.11740	6.8
128.06219	8.7
129.07005	12.7
130.07745	1.7
131.08582	19.6
133.06465	2.4
133.10130	50.3
135.08061	2.7
135.11720	5.0
141.06953	3.0
142.07791	9.8
143.08572	28.5
144.09337	2.7
145.10127	22.5
147.08055	7.9
147.11691	93.6
148.12083	1.7
155.08524	2.3
156.09355	1.8
157.10141	22.6
159.11699	13.6
160.12418	4.7
161.09671	8.7
161.13268	24.1
161.88228	1.1
170.10905	4.6
173.13269	2.8
175.11153	4.5
175.14835	15.8
185.09697	2.1
185.13266	33.3
203.10649	4.5
203.14334	63.6
203.17958	100.0
204.18355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03917	2.0
55.05481	2.9
57.07067	4.1
63.50621	0.7
65.03936	1.0
66.41454	0.7
67.05510	8.3
69.07071	7.2
70.32040	3.0
70.68523	0.8
79.05503	9.5
81.06599	0.9
81.07063	15.3
83.08598	1.6
91.04977	1.1
91.05486	16.5
93.07050	15.1
95.04949	1.9
95.08614	13.4
103.05480	1.8
105.03384	1.5
105.07037	34.0
107.08598	19.0
109.06518	0.6
109.10164	4.8
115.05444	3.0
116.06226	1.7
117.07026	23.1
117.18777	0.9
119.08585	22.2
121.06534	1.8
121.10166	8.2
123.69765	0.7
128.06221	3.5
129.07008	8.3
130.07784	8.8
131.08578	42.3
133.10126	11.4
135.08005	0.8
141.06995	3.0
142.07779	8.6
143.08557	11.4
144.09335	6.3
145.06483	3.0
145.10129	100.0
146.10793	2.6
147.11679	2.4
153.07005	2.0
154.07770	1.0
155.08551	9.1
157.10135	13.6
158.07333	2.3
158.10948	5.4
159.08110	6.7
159.11705	58.7
160.12100	0.7
168.09424	2.5
171.08083	1.1
171.11681	3.5
172.08821	3.1
172.12515	1.6
173.09645	5.5
173.13281	27.1
183.08038	1.1
183.11650	4.8
186.10484	4.3
186.14093	1.7
201.05328	0.7
201.09146	8.2
201.12794	33.2
201.16393	93.4
202.13208	0.9
202.16757	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03949	1.1
55.05496	3.3
57.07072	4.7
67.05514	5.3
69.07077	7.4
70.59302	1.8
70.59638	1.5
71.69058	1.2
79.05499	4.6
81.07066	12.1
83.08609	1.6
91.05491	10.6
93.07055	8.9
95.08620	11.8
95.85420	1.0
98.21444	1.2
101.34425	0.9
105.07045	23.9
107.08604	13.2
109.10159	4.7
115.05461	1.8
116.06228	1.6
117.07032	25.0
119.08589	13.6
121.10136	5.3
124.53104	1.0
125.84447	1.2
128.06224	1.8
129.07019	5.0
130.07811	8.7
131.08580	29.8
133.10139	7.4
142.07840	2.4
143.08586	8.3
144.09380	6.0
145.10135	100.0
146.10835	2.0
155.08536	1.6
157.10181	6.4
158.10889	6.5
159.11707	57.3
160.12050	1.1
171.11702	3.9
172.12447	2.2
173.13281	25.5
175.61636	1.1
183.11656	1.2
186.14067	1.4
199.14835	1.3
201.12791	5.6
201.16400	73.6
224.93306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
51.54412	0.3
57.07080	4.0
57.73292	0.3
67.05511	0.9
70.36276	1.2
71.08636	5.2
79.05477	0.4
81.07064	0.5
83.08630	0.4
91.05470	2.0
93.07036	0.6
95.08620	0.9
103.05489	0.4
105.07034	10.9
107.08610	1.0
115.05511	0.4
117.07014	5.3
119.08580	1.5
119.71846	0.3
121.10162	0.5
128.06224	0.4
129.06995	1.5
130.07785	4.8
131.08577	11.4
142.07829	0.5
143.08554	2.9
144.09335	1.0
145.10127	100.0
146.10461	1.4
157.10187	1.1
159.11702	18.8
173.13242	0.4
186.14000	0.3
201.12740	1.2
201.16399	9.4
201.20465	1.6
218.42668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46580	1.4
54.00674	1.3
63.05845	1.3
63.25504	1.3
69.30379	10.7
69.30800	4.2
69.58480	1.5
70.06590	4.4
73.02908	1.3
85.82459	1.3
97.02900	2.1
100.07594	1.6
101.00898	5.5
102.27318	1.4
116.07104	2.9
119.01917	8.0
131.01886	1.5
143.01907	6.2
156.93137	1.7
161.02988	14.1
171.35324	1.9
173.03018	1.8
180.53802	1.4
203.05290	100.0
203.15076	2.1
204.12320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1068
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	1.2
55.05494	1.4
57.07052	1.2
57.14862	0.8
60.04520	1.3
67.05495	3.8
69.03426	1.8
69.07055	3.6
69.39439	6.8
79.05488	6.6
81.07068	8.3
83.08607	1.3
91.05474	8.1
92.12745	0.8
92.71310	0.7
92.74102	0.7
93.07054	5.3
95.04887	0.8
95.08617	10.8
103.05470	2.9
105.06390	1.5
105.07041	19.2
107.08586	7.1
109.06521	1.2
109.10170	4.6
115.05458	12.5
117.07022	5.8
119.04961	1.2
119.08585	14.9
121.06496	0.9
121.10126	4.3
123.11681	2.0
123.84518	0.9
128.06230	69.2
129.07037	6.5
131.04929	4.7
131.08609	4.9
133.06480	2.3
133.10152	11.6
137.05966	3.1
141.06987	4.6
142.07790	5.4
143.04919	3.5
143.08566	77.8
144.05696	2.9
144.09282	0.9
145.06483	12.6
145.10136	8.3
146.07207	1.2
147.04378	2.3
147.08060	3.2
147.10643	1.5
147.11703	19.7
152.06215	2.5
153.06987	3.1
155.06110	4.9
155.08566	1.2
156.05659	0.9
157.06490	1.4
157.10181	5.9
159.04454	9.2
159.08035	2.5
159.11702	2.4
160.05206	13.8
160.08835	3.7
161.05974	2.8
161.09610	4.0
161.13255	5.5
162.06743	2.0
171.08064	65.6
172.08882	5.2
173.06013	10.8
173.09584	1.2
174.06776	39.0
175.07558	39.6
175.11060	3.9
175.14842	1.9
176.07817	1.1
185.09593	1.7
185.13272	2.5
188.08336	42.4
203.06975	4.3
203.10677	100.0
203.14319	5.9
203.17990	21.8
204.10944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.80995	0.7
53.03947	1.2
55.05501	2.2
57.07076	5.3
67.05515	7.2
69.07068	4.8
70.61480	1.9
71.08637	1.5
79.05118	0.9
79.05499	9.0
81.07063	44.4
83.08619	1.3
84.54102	0.8
91.05486	11.4
93.07056	14.5
95.08612	20.4
97.78101	0.6
100.46577	0.7
103.05498	0.9
105.07041	27.0
105.32672	0.7
107.08605	22.2
109.10152	5.4
115.05486	1.3
116.06277	0.8
117.07029	13.7
119.08591	37.7
121.10140	8.3
128.06178	1.3
129.07001	4.4
130.07797	6.7
131.08582	30.8
133.10136	6.2
142.07727	0.8
143.08572	4.6
144.09364	5.5
145.10135	81.0
146.10860	2.6
147.11665	1.4
157.10143	5.2
158.10912	2.1
159.11705	70.4
160.12077	2.0
170.96681	0.8
171.11682	2.0
173.13287	10.4
186.14044	1.7
199.14871	1.0
201.09215	1.7
201.16397	100.0
202.16714	2.1
215.11221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03936	3.1
55.01878	0.9
55.05516	5.8
57.03437	1.1
57.07077	1.9
64.38535	0.7
65.03954	1.0
67.05515	10.7
69.03434	4.2
69.07076	4.0
70.59396	1.6
70.59752	1.6
71.04988	0.8
75.07114	0.8
77.03932	1.1
79.05502	11.1
81.07064	18.2
83.04977	1.8
91.05490	23.2
91.13604	0.8
93.07047	22.9
95.04981	6.5
95.08605	8.3
99.74864	0.8
103.05486	1.9
105.03381	1.0
105.07037	43.2
107.04959	1.0
107.08608	13.9
109.06538	6.0
109.10165	4.8
115.05447	3.9
115.81573	0.9
116.06209	2.7
117.07035	25.8
119.07783	1.4
119.08597	19.0
119.09451	1.1
121.06512	28.3
121.10151	3.9
128.06233	4.9
129.07036	12.1
130.07805	6.7
131.08578	56.3
133.06485	1.3
133.10149	7.4
139.46877	0.9
141.07004	5.7
142.07787	14.9
142.52776	0.7
143.08574	17.3
144.05696	2.2
144.09378	7.5
145.06483	10.7
145.10135	70.9
146.07312	1.4
146.10899	1.5
147.08044	2.5
147.11671	2.3
153.06990	5.4
155.08560	12.7
156.09335	1.4
157.06467	1.5
157.10152	18.1
158.07288	5.5
158.10934	6.6
159.08069	38.7
159.11703	49.3
160.08807	3.2
168.09337	9.9
171.08093	4.2
171.11696	3.5
172.08850	17.1
173.09648	21.1
173.13272	29.4
183.08011	1.8
183.11714	14.0
186.10422	8.5
186.13985	1.9
201.09108	6.8
201.12764	100.0
201.16397	53.9
202.12993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03955	2.1
55.05503	3.0
57.07052	1.5
60.59408	1.2
67.05518	8.4
67.48336	1.1
69.07055	4.8
70.72876	3.4
72.40322	1.1
79.05489	8.7
81.07061	18.5
81.42366	1.4
83.46983	1.3
91.05487	14.6
93.07056	19.5
95.04977	2.5
95.08607	15.9
103.05482	1.6
105.07038	36.4
107.08601	24.6
108.47985	1.2
109.06539	2.8
109.10157	5.0
115.05468	1.3
116.06241	1.8
117.07030	19.6
119.08591	21.2
121.06521	2.0
121.10150	8.5
128.06276	1.9
129.06998	6.1
130.07799	6.2
131.08575	49.2
133.10141	11.1
141.69899	1.3
142.07779	3.8
143.08569	10.8
144.09357	11.7
145.06470	1.7
145.10130	90.4
146.07268	1.4
146.10840	2.7
147.11711	2.7
153.06987	2.1
155.08534	4.9
157.06572	1.3
157.10133	8.4
158.07303	3.2
158.10936	9.7
159.08087	7.1
159.11705	70.7
160.08917	1.5
160.12277	2.1
166.97849	1.3
168.09363	2.1
171.08047	1.6
171.11760	3.7
172.08846	8.1
173.09666	13.4
173.13280	68.4
183.11736	2.8
186.10432	3.9
186.14148	2.5
199.14856	1.4
201.09087	1.9
201.12770	27.2
201.16400	100.0
202.16666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.02155	0.8
51.02370	0.9
53.03931	3.6
55.01861	2.7
55.05515	3.7
62.62144	0.7
63.02351	0.8
65.03923	1.7
67.05502	11.9
69.03414	1.1
69.07056	2.8
69.41380	4.5
69.41783	2.1
71.04974	1.2
77.03933	1.5
79.05496	15.9
81.03419	3.5
81.07059	18.1
83.04974	1.2
91.05483	38.3
93.07045	18.7
95.04970	5.3
95.08617	6.2
98.20679	0.8
103.05473	4.1
105.03403	14.7
105.04521	1.4
105.07034	59.8
107.04955	4.3
107.08601	8.3
109.02871	2.8
109.06503	2.9
109.10155	1.2
111.77922	0.8
115.05466	12.0
116.06244	4.7
117.07020	40.1
119.04959	2.2
119.08585	47.6
121.06525	9.5
121.10167	2.6
128.06223	11.5
129.06032	1.1
129.07010	37.0
130.07808	16.1
131.04977	3.6
131.08574	59.9
132.05719	0.7
133.06511	5.2
133.10138	3.7
135.08081	3.3
141.06985	10.8
142.06644	0.9
142.07787	26.6
143.08571	18.3
144.05714	4.7
144.09309	4.1
145.06494	19.5
145.10127	71.7
146.07237	1.3
146.10446	2.0
147.08055	6.7
147.11702	1.9
152.06229	1.3
153.06990	14.2
154.07779	5.2
155.08560	77.7
156.09210	1.5
157.06511	1.3
157.10136	30.0
158.07275	9.7
158.10954	3.8
159.08073	18.9
159.11703	28.0
160.08842	2.6
167.08662	1.6
168.09357	11.8
171.08060	1.8
171.11728	2.5
172.08833	3.6
173.06052	0.9
173.09636	34.9
173.13260	27.8
183.08064	9.5
183.11699	23.9
186.10400	2.5
201.09120	87.3
201.12756	100.0
201.16373	25.0
202.09441	1.8
202.13078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03936	1.4
55.01861	1.8
55.05515	6.1
57.03436	1.5
65.03938	1.1
67.05509	6.8
69.03410	1.4
69.07056	3.4
70.99991	1.9
71.04992	1.0
75.68661	0.8
77.03922	1.0
79.05493	9.9
81.03427	0.8
81.07063	12.5
83.04987	2.6
86.09737	1.0
91.05490	24.1
93.07060	10.3
95.04986	4.8
95.08614	5.5
103.05460	3.4
105.07037	31.4
107.04925	2.6
107.08604	9.2
109.06519	2.9
109.10166	1.1
115.05437	8.4
116.06237	2.9
117.07031	25.0
118.96783	1.4
119.04923	1.1
119.07809	1.0
119.08596	18.9
121.06516	5.4
121.10126	1.1
127.05430	1.5
128.06229	22.1
129.07011	17.8
130.07802	6.4
131.04929	1.8
131.08582	56.8
133.06500	2.0
133.10168	3.7
135.08073	1.1
141.07002	11.7
142.07797	16.5
142.08842	0.6
143.08569	40.9
144.05708	2.2
144.09370	7.2
145.06493	13.1
145.10136	53.8
146.07214	1.0
147.08051	2.4
147.11661	2.9
153.07004	11.2
154.07759	1.6
155.06026	2.6
155.08565	19.8
156.09424	4.5
157.06538	1.4
157.10146	18.1
158.07304	4.9
158.10898	7.1
159.06824	1.7
159.08080	22.7
159.11710	37.4
160.08827	1.4
167.08589	2.1
168.09361	18.9
171.08028	3.5
171.11749	5.4
172.08829	6.5
173.06036	0.9
173.09644	15.0
173.13277	29.6
177.98018	1.0
183.11717	24.1
186.06697	1.0
186.10408	7.0
186.14038	2.0
201.05444	1.9
201.09120	10.5
201.12761	100.0
201.16396	28.7
202.13095	1.5
222.97417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.05122	0.8
53.03937	1.4
55.05523	3.9
57.03426	1.1
57.07058	1.8
65.03927	1.2
67.05509	7.7
69.03417	1.7
69.07068	4.5
70.44630	1.5
70.44994	1.6
79.05497	6.6
81.07060	14.1
83.00799	0.6
83.77932	0.6
91.05486	16.3
92.05202	0.8
93.07050	20.1
95.04963	3.3
95.08614	12.9
103.05450	1.1
105.07034	27.7
107.04926	0.8
107.08596	17.8
109.06511	1.8
109.10165	4.3
113.09634	2.6
115.05453	3.1
116.06223	2.5
117.07022	16.5
118.96783	1.2
119.08586	28.8
121.06499	2.7
121.10153	7.2
127.04980	0.7
128.06232	5.6
129.07019	10.1
130.07813	7.2
131.08575	55.6
133.10141	37.2
141.07001	3.6
142.07761	4.8
143.08575	31.2
144.09355	13.0
145.06525	3.9
145.10127	87.9
146.07301	1.1
146.10898	1.3
147.08040	0.9
147.11679	1.3
153.06949	1.8
155.08577	6.3
156.09320	2.0
157.06520	1.6
157.10127	9.2
158.07304	5.3
158.10924	33.3
158.12242	1.6
159.08081	11.8
159.11703	51.6
160.08847	1.4
160.17310	0.8
161.09637	1.6
168.09369	3.9
171.08057	9.8
171.11703	3.4
172.08855	9.7
172.12462	1.6
173.09680	13.5
173.13272	100.0
174.13591	1.7
183.11711	6.1
185.09659	1.6
186.10406	35.8
186.14056	1.3
199.14777	1.3
201.05467	1.5
201.09068	3.7
201.10837	2.1
201.12766	76.7
201.16388	77.9
202.13029	1.3
202.16753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.65843	0.6
53.03936	2.0
54.10284	0.7
54.64483	0.7
55.05501	3.1
57.03443	0.9
57.07070	1.2
57.26814	0.6
58.14864	0.6
65.03933	0.8
66.06658	0.7
67.05502	6.2
69.03425	1.1
69.07085	1.6
71.04980	1.3
77.03930	0.8
79.05496	7.7
81.07065	11.5
91.05485	20.2
93.07050	13.9
95.04989	4.2
95.08608	6.3
95.49939	0.6
103.05476	1.1
105.03381	0.8
105.07037	26.8
107.04954	2.0
107.08592	7.3
109.06526	7.8
115.05453	4.9
116.06220	2.4
117.07024	12.9
119.04939	1.0
119.08589	12.7
121.06507	10.6
121.10129	2.4
128.06221	5.3
129.07008	14.1
130.07796	5.2
131.04880	1.1
131.08575	44.9
133.06506	1.0
133.10149	3.4
135.08038	1.3
141.06998	5.8
142.07794	10.0
143.08568	17.7
144.05699	2.8
144.09334	6.0
145.06487	12.2
145.10132	54.1
146.07288	1.7
147.08064	2.5
147.11656	2.0
153.06996	4.9
154.07745	1.4
155.08562	15.5
156.09264	1.0
157.06490	4.5
157.10144	11.1
158.07286	15.3
158.10925	5.7
159.08063	34.3
159.11693	26.1
160.08778	2.4
167.08533	1.2
168.09358	10.9
169.07610	0.9
171.08072	8.3
171.11711	2.1
172.08838	40.6
173.09630	55.5
173.13260	31.7
173.14410	0.7
174.10049	1.0
178.77068	0.7
183.09291	1.0
183.11713	12.2
186.10397	13.2
201.09242	3.6
201.12758	100.0
201.16367	22.8
202.13081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0919
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03931	3.3
55.01870	1.8
55.05499	3.4
56.05030	1.9
56.96571	15.3
57.03429	5.0
57.07072	1.4
60.04517	2.1
61.02923	1.6
65.03948	2.7
67.05516	12.3
68.05022	2.3
68.99797	2.6
69.03439	13.6
69.07075	16.4
70.06595	9.8
70.50942	3.2
70.51303	1.8
71.01360	1.5
71.04983	3.2
71.95280	1.6
72.04500	2.0
72.08173	1.4
72.93806	2.1
73.02922	6.4
74.09713	1.5
79.05485	5.2
79.31918	1.1
80.05009	5.7
81.03411	4.6
81.07057	5.3
82.06580	4.5
83.04991	2.0
84.04512	1.9
84.08137	7.8
84.96040	1.9
85.02924	5.6
85.06522	1.8
86.09698	2.5
86.43797	1.3
87.04482	1.5
88.03931	1.3
91.05488	11.6
93.05791	4.9
93.07053	6.0
94.04166	2.2
94.06572	27.9
95.04987	9.2
95.08611	1.7
96.04497	2.7
96.08127	2.1
97.02907	8.3
97.06544	3.8
98.06071	2.3
98.97588	36.2
99.04449	1.5
103.05468	1.3
105.07051	2.1
108.04483	5.8
108.08134	29.2
109.02894	2.2
109.06516	4.5
110.06050	16.2
110.97577	3.3
111.04443	3.8
111.08079	1.6
112.03974	4.3
112.04746	1.9
112.07613	8.0
114.05485	1.2
116.97285	2.5
116.98630	31.6
117.97621	1.8
118.06532	3.9
118.16230	1.2
118.96772	7.3
119.04999	1.7
120.08097	2.1
121.06522	4.3
122.03665	2.1
122.06042	76.8
123.04427	4.0
124.07582	4.9
125.06013	1.4
126.09164	5.2
127.03912	4.9
128.07121	1.5
128.98615	6.9
133.52881	1.2
133.99106	1.7
134.06001	2.3
134.99666	27.7
135.04362	1.3
136.03925	3.4
136.07585	78.3
136.71132	1.1
137.05988	25.5
138.06328	1.6
138.09128	6.7
139.07536	6.0
140.07074	100.0
141.09082	1.2
143.00194	3.0
143.01825	1.4
146.99681	7.3
148.97679	2.7
152.07042	1.8
153.00740	5.5
153.05498	1.5
153.96698	2.5
154.05022	2.9
154.08641	70.0
154.96480	2.6
155.03391	4.6
155.07056	2.0
156.04123	1.6
158.01262	2.6
158.10556	1.4
158.99683	5.3
161.01250	4.7
161.54448	1.3
162.99097	1.2
164.07066	12.6
165.05562	2.0
169.05092	1.5
170.99677	1.3
175.98521	1.4
176.98653	4.1
177.00693	8.5
177.98125	5.4
179.54581	1.6
182.04594	9.4
182.08125	61.6
182.11670	8.6
183.03516	1.5
183.08565	1.7
188.05122	1.1
188.54915	7.0
195.01816	2.1
197.55528	4.5
200.05548	3.5
200.09207	69.9
200.10745	2.6
200.12868	12.5
200.14517	2.2
200.19069	8.4
201.00755	1.6
206.03404	2.2
209.06073	1.4
215.99471	1.5
219.01982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.7
55.01868	1.6
55.05511	2.6
56.05034	1.4
56.96572	22.6
57.03444	5.7
57.07081	1.2
58.99863	1.5
61.02931	3.1
65.03935	1.0
67.05511	2.3
68.05033	2.2
68.99811	1.0
69.03436	8.9
69.07069	4.0
70.06605	12.9
70.99843	1.7
71.05002	2.6
71.95270	1.8
72.04529	1.1
72.08172	4.8
73.02927	4.7
74.09715	3.8
77.00914	2.7
79.05495	3.0
80.05023	20.2
81.03426	5.9
81.07064	2.2
82.01462	1.5
82.06595	2.9
83.04979	2.3
83.06110	2.3
84.04507	8.1
84.08138	5.0
84.96052	1.0
85.02917	8.4
86.06066	4.8
86.09702	4.3
87.04475	5.8
91.02470	1.8
91.05494	3.7
94.04205	1.8
94.06583	1.4
95.05003	1.1
95.06121	1.7
96.04496	2.8
96.08140	2.4
97.02899	14.8
97.06538	4.1
98.06052	1.4
98.97594	98.3
99.04465	2.2
99.08095	1.6
100.02534	4.7
100.07643	9.2
101.00893	5.3
102.00990	2.2
102.02258	1.6
102.05545	1.5
103.02460	1.2
105.02171	1.3
107.04971	1.7
108.04486	20.8
108.08162	1.6
109.02888	4.7
110.06079	1.5
110.07154	1.1
110.97582	2.7
111.05585	1.5
112.08746	1.2
114.05554	2.5
114.06667	1.3
114.09194	3.5
116.00220	1.7
116.97250	3.6
116.98629	80.3
118.03530	3.9
118.96781	2.7
118.98895	0.9
119.01913	14.6
119.05003	1.7
119.63425	0.9
120.02008	7.2
120.03328	2.1
121.01649	1.7
122.03650	5.1
122.04639	0.8
122.06067	3.0
124.07570	1.4
126.05521	2.9
126.09210	1.5
127.03967	1.4
128.07089	14.4
128.07982	1.7
128.98621	3.5
129.10260	3.2
131.00195	1.3
131.01923	7.2
132.02017	1.2
133.01717	1.4
133.03491	3.3
134.03589	2.2
134.99673	43.5
135.03218	1.3
135.08141	0.9
136.03931	17.6
136.07574	4.9
137.02945	4.5
137.05989	40.0
137.07063	1.9
138.03075	1.4
138.06329	1.9
138.09198	1.1
140.00221	2.0
140.07086	4.1
142.03578	1.9
143.00247	1.3
143.01923	3.4
144.99802	5.7
145.03543	1.7
145.04939	1.6
146.02322	1.7
146.99649	2.5
147.01405	1.2
147.04309	1.7
149.01221	1.8
149.02988	2.9
152.96890	1.1
153.00690	8.3
154.03551	2.8
154.05013	7.7
154.08636	5.6
154.09587	5.6
154.12289	4.1
157.03433	2.2
157.97583	1.8
158.01282	3.4
158.99692	7.7
159.01350	2.0
161.01257	2.0
161.02931	5.9
162.03062	1.5
164.03433	11.7
168.01462	7.7
168.06525	1.3
172.02736	1.1
172.04726	1.1
174.04477	1.2
174.06242	0.9
175.98586	2.7
176.01018	1.5
176.04636	1.8
176.98569	3.1
177.00734	11.4
177.02473	11.0
177.04182	2.6
177.98126	1.5
179.55305	5.8
181.05011	1.2
182.04510	100.0
182.08107	3.7
182.11763	1.9
183.05080	1.1
183.08591	2.6
183.11311	2.6
185.03011	1.6
187.04482	1.4
188.55843	1.3
189.00737	1.5
190.05621	1.3
195.01761	2.6
195.03583	3.2
195.05212	1.5
199.18915	11.0
200.04019	6.5
200.05594	12.5
200.09145	4.1
200.12785	9.4
200.14330	1.3
200.16362	1.5
200.19145	1.5
201.00745	1.5
201.02400	1.1
214.05653	3.4
218.05177	1.6
219.01721	1.9
219.03621	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1483
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
55.05518	4.0
67.05489	1.8
69.07063	3.9
71.06312	1.4
74.09727	1.0
79.05495	4.8
81.07064	6.0
91.05491	7.3
93.07060	5.5
103.05487	1.0
105.07037	32.6
107.08614	7.0
115.05458	1.1
116.06172	0.7
117.07020	2.1
119.08598	9.3
123.01735	0.6
123.33475	0.8
128.06226	12.3
129.07039	12.1
131.08588	7.6
133.10138	0.8
141.06987	3.7
142.07794	21.3
143.08572	60.2
144.09341	2.1
145.10126	3.5
155.06021	0.8
155.08562	4.8
156.09337	4.5
157.10143	60.4
158.10866	2.8
169.10115	4.9
170.10902	4.1
171.11703	15.8
184.12486	6.5
197.13315	1.8
199.14836	100.0
200.15196	1.6
201.98158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05513	4.2
67.05495	0.7
68.33090	0.4
69.07074	4.2
70.50317	1.0
70.50681	0.9
72.04497	0.5
74.09727	4.8
77.03922	0.5
79.05490	4.5
81.07053	5.2
83.08612	1.0
91.05484	6.9
93.07051	6.1
95.04953	0.4
95.08607	0.5
98.55431	0.4
98.72770	0.4
100.07616	1.3
103.05459	0.9
105.07038	27.4
105.79813	0.5
107.08594	5.5
109.06492	0.5
115.05460	1.6
116.06214	0.6
116.97195	1.4
117.07014	1.8
119.08588	9.7
121.10136	0.5
123.76176	0.5
128.06226	11.8
129.07014	15.0
131.08582	7.3
133.10127	1.0
141.06979	3.9
142.07790	20.4
143.08568	56.4
144.09393	2.6
145.06474	0.6
145.10146	4.4
155.08549	5.0
156.09361	7.2
157.10138	58.7
158.10823	1.7
169.10188	5.4
170.10948	3.9
171.11705	19.6
175.98544	0.9
182.10919	0.9
184.08856	0.5
184.12489	6.3
197.13222	1.0
199.14836	100.0
199.18805	10.6
200.15143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1483
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03961	1.2
55.05514	5.0
57.07063	1.4
67.05475	1.1
69.07078	4.7
70.07429	0.7
70.27879	2.7
74.09720	2.9
79.05492	6.0
81.07058	6.2
83.08610	1.4
91.04948	0.9
91.05476	7.4
93.07047	6.1
95.04971	1.2
95.08610	1.0
96.85110	0.6
97.41817	0.6
100.07641	0.7
103.05482	1.2
105.07035	38.6
107.08585	7.5
115.05455	2.3
116.72018	0.6
116.97256	3.1
117.07024	2.5
119.08577	10.1
128.06230	15.5
129.07019	15.3
131.08588	8.1
133.10135	1.1
141.07004	6.3
142.07791	23.9
143.08571	66.2
144.09349	2.9
145.06509	0.8
145.10132	4.8
155.06091	0.8
155.08553	5.6
156.09370	7.0
157.10141	68.9
158.10852	1.8
165.06998	0.8
169.10158	6.1
170.10925	3.6
171.11699	13.8
173.72545	0.6
175.98541	2.1
181.10152	0.8
181.57216	0.6
183.11693	0.8
184.08832	1.5
184.12535	5.7
197.13290	2.2
199.11238	6.1
199.14841	100.0
199.18826	12.2
200.15195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03942	0.3
55.01871	0.6
55.05505	0.9
69.03445	0.4
69.07079	0.7
69.69170	0.3
70.52493	1.0
70.98104	0.3
71.49358	0.3
74.09728	1.1
79.05502	0.7
81.07087	0.5
91.05496	2.2
93.07067	0.6
95.04968	0.4
96.37677	0.3
100.07592	0.3
103.05505	0.5
105.07033	1.4
113.77548	0.3
115.05450	2.0
116.97248	0.5
117.07031	1.0
119.08602	0.4
121.06539	0.9
128.06223	7.1
129.07030	6.4
130.07776	0.6
131.08597	1.3
132.42639	0.3
141.06998	9.9
142.07803	4.6
143.08569	10.6
145.06505	2.7
145.10095	0.6
152.06122	0.6
153.06987	2.6
154.07663	0.5
155.06058	0.4
155.08574	5.1
156.09351	13.4
157.06516	1.4
157.10146	4.9
158.07277	5.3
159.08061	4.7
160.08865	2.4
165.07016	7.5
166.07793	5.9
167.08572	1.9
169.06499	25.3
169.10132	0.8
170.07138	0.6
171.08069	10.7
171.11719	5.6
175.98505	0.4
179.08627	0.8
181.06519	0.4
181.10158	3.3
182.07237	0.6
183.08063	9.8
184.08849	53.8
185.09216	1.1
197.09644	0.6
199.11191	100.0
199.14886	4.3
199.18843	2.3
199.50237	0.3
200.11464	2.4
218.21553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1483
Annotation	CADALENE
Peak:m/z	Relative Intensity
50.92778	0.5
53.03937	1.0
55.05520	3.3
57.07080	0.9
58.30757	0.5
65.21636	0.4
67.05505	1.1
69.07066	5.0
70.91666	0.9
70.91989	1.0
72.04524	0.9
74.09727	3.5
76.29259	0.6
79.05492	5.8
81.07067	5.3
83.08624	0.9
91.05482	7.1
93.07055	6.4
95.08585	0.7
100.07612	1.0
103.05459	1.2
105.07039	33.3
107.08601	7.0
108.11233	0.5
113.07121	0.6
115.05463	1.8
116.97232	2.7
117.07024	2.1
119.08580	10.4
128.06233	11.0
129.07021	14.3
131.08589	9.3
133.10130	0.8
141.07013	4.2
142.07793	23.0
143.08572	57.9
144.09279	2.3
145.10127	4.0
148.97655	0.6
152.96854	0.7
155.06029	0.7
155.08539	4.8
156.09322	5.7
157.10143	59.3
158.10901	2.5
159.11681	0.7
169.10139	5.4
170.10966	3.5
171.11708	13.3
175.98560	2.1
184.08862	1.0
184.12485	5.5
197.13286	1.8
199.11235	3.1
199.14841	100.0
199.18802	10.0
200.15256	1.3
205.91887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	3,4,5-Trimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
51.92797	0.7
53.03944	5.5
55.01861	2.6
55.05501	0.9
57.03386	0.7
57.93559	1.4
58.38368	0.8
65.03928	2.8
66.04736	0.8
67.02815	0.7
67.05481	0.7
69.07066	1.8
70.63963	2.4
74.09706	3.3
74.16351	0.7
77.03915	1.1
79.05490	2.2
81.03416	1.2
81.07065	1.4
83.04976	0.8
83.08594	0.8
86.09740	1.1
88.26351	0.8
91.05483	37.3
92.06252	2.1
93.03417	1.2
93.07047	25.4
95.04980	7.0
103.04790	1.1
103.05464	18.0
105.03412	1.3
105.04503	3.2
105.07014	1.4
106.04184	1.1
107.04972	1.6
107.08596	1.3
109.06506	1.1
110.03667	1.5
111.04437	1.8
114.32320	0.8
116.97202	4.8
117.50836	0.9
119.04939	5.4
119.08611	1.3
120.05720	5.1
121.06509	34.9
123.04408	3.5
125.05991	2.3
128.06235	1.5
129.07005	2.0
131.04947	1.2
131.06061	1.1
131.68964	0.7
133.02829	3.2
135.04355	0.9
135.08098	1.0
137.06027	3.7
138.06757	3.4
139.07530	2.2
140.04697	1.4
142.07793	2.5
143.08598	4.8
143.09508	0.8
145.10205	0.8
147.04401	2.7
148.05229	4.1
149.05981	8.6
151.03941	4.7
152.96925	2.0
153.05443	1.2
153.08961	0.8
155.07024	1.3
156.09344	1.0
157.10100	5.2
157.97639	0.8
166.06255	23.6
167.06999	1.4
171.11766	2.2
175.98569	3.5
181.08601	100.0
182.09090	0.8
199.08725	2.1
199.11263	3.9
199.14868	6.3
199.18877	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	199.0966
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
53.03944	5.2
55.01864	2.1
65.03931	2.0
70.54806	1.1
70.55188	1.2
77.03923	1.6
78.04703	0.9
79.05476	1.7
81.03374	0.8
81.07076	0.7
91.05486	38.4
92.06242	1.8
93.03403	1.0
93.07050	25.3
95.04974	7.5
95.43386	0.7
101.47963	0.6
103.05472	17.4
105.03387	0.7
105.04500	1.9
105.07015	1.2
106.04150	1.2
107.04961	1.2
109.06511	0.9
110.03639	1.3
111.04419	1.7
112.24542	0.6
116.97273	0.6
119.04967	4.3
120.05741	5.9
121.06514	34.6
123.04409	3.5
125.05993	2.1
125.09614	0.6
128.06142	0.6
129.07071	0.5
131.04913	1.7
131.06042	1.6
131.08574	0.6
133.02881	3.6
135.04430	0.6
135.08168	0.5
136.05109	0.8
137.05986	3.8
138.06798	3.9
139.07565	1.2
142.07724	0.6
147.04454	3.2
148.05222	4.8
149.05984	9.9
151.03944	5.0
152.14896	0.5
153.04463	1.0
157.10173	2.2
163.07582	0.5
166.06270	21.6
167.06992	0.9
181.08606	100.0
182.08990	0.9
199.14807	1.8
199.18819	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	199.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01870	2.5
55.05507	3.0
69.03443	11.8
69.07075	1.3
70.25721	1.3
70.26118	2.4
74.09713	2.5
79.05496	4.6
91.05489	4.8
93.07063	1.6
97.32304	0.8
97.66098	0.8
100.07605	1.4
103.05441	1.7
105.06384	1.7
105.07040	21.5
107.08595	1.6
115.05441	4.5
117.07015	1.5
119.08598	2.1
121.06544	1.3
125.42110	0.8
128.06233	32.8
129.07024	26.9
130.07809	5.2
131.08615	6.9
133.18092	0.8
136.31526	0.8
141.07007	20.0
142.07797	24.5
143.08578	100.0
143.87775	0.9
144.08875	1.6
145.06499	2.8
145.10088	2.8
148.83517	1.0
153.07028	5.0
154.07787	6.0
155.05952	1.5
155.08586	20.7
156.09366	65.3
157.06479	3.5
157.10141	21.1
158.07314	3.7
165.07024	15.2
166.07800	25.1
167.08553	1.0
169.06516	5.6
169.10114	10.1
170.10934	2.0
171.08061	10.7
171.11708	77.9
172.12096	1.8
179.08536	1.4
181.10133	37.4
183.08055	2.1
184.08856	25.8
184.12459	1.2
199.11209	83.6
199.14871	13.5
199.18871	7.6
200.11526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.112
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
55.01862	1.3
55.05500	2.9
57.25392	0.9
69.03437	9.5
69.07070	1.6
71.15886	1.3
71.16229	1.6
74.09710	1.8
77.54926	0.7
79.05504	5.6
81.07063	1.0
91.05480	5.6
93.07037	3.4
103.05437	1.2
105.07044	22.3
107.04967	1.2
107.08599	1.5
115.05452	3.9
116.97227	1.8
117.06998	1.9
119.08607	1.3
121.06538	1.5
121.43736	0.8
122.86069	0.9
128.06235	34.0
129.07014	27.1
130.07808	5.0
131.08580	7.3
141.07010	18.2
142.07791	27.2
143.08572	100.0
144.08902	1.0
145.06441	1.4
145.10149	3.0
153.06956	5.9
154.07780	5.0
155.06035	2.6
155.08560	21.7
156.09360	66.6
157.06505	4.4
157.10156	23.8
158.07281	3.2
165.07014	16.3
166.07794	24.0
169.06477	6.5
169.10136	11.2
170.10910	1.5
171.08115	11.1
171.11702	91.3
172.12085	2.6
181.10135	33.3
183.08031	2.7
184.08852	27.0
184.12434	1.7
199.11201	91.0
199.14851	17.7
199.18877	6.9
200.11491	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	198.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	24.0
69.92184	29.0
69.92596	14.3
70.06594	89.8
72.60549	8.6
75.16216	7.7
95.05601	8.1
95.06116	100.0
98.21400	13.8
102.41556	7.9
110.07109	8.2
154.13359	29.7
170.06618	18.7
198.05130	39.6
216.07193	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	199.0966
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
51.02303	0.6
52.17009	0.5
53.03855	3.7
53.04131	0.9
55.01785	1.6
55.02025	0.6
55.05415	1.8
57.03378	0.5
57.93504	0.7
59.04916	0.4
65.03844	1.5
67.05424	1.3
69.03353	1.2
69.06973	1.9
70.68773	1.2
71.04937	0.8
74.09620	3.4
75.94521	0.7
77.03850	1.1
79.05395	2.1
81.03334	1.2
81.06964	1.9
81.07376	0.5
83.04906	0.8
83.08556	1.1
86.09608	2.5
91.05383	36.2
92.06209	1.1
93.03305	1.5
93.06947	25.3
93.07597	1.6
94.64652	0.5
95.04975	8.1
95.08511	2.1
95.09068	0.5
97.02821	0.9
97.06499	0.9
99.04406	0.6
100.07541	1.4
101.05946	0.6
103.05472	17.3
105.03323	0.6
105.04427	2.1
105.06957	1.3
106.04124	0.9
107.04893	1.1
107.08496	2.1
109.02811	0.6
109.06474	0.8
109.10111	0.6
110.03583	1.4
111.04463	3.8
116.97241	5.5
119.04952	5.5
120.05747	5.4
121.02799	1.6
121.06518	33.1
121.10067	1.2
123.04447	4.0
124.05125	0.6
125.02329	0.5
125.06013	3.7
128.06183	1.2
129.06944	1.1
130.86220	0.5
131.04877	1.5
131.05934	0.6
131.08609	0.5
131.99489	1.7
133.02852	4.4
135.04305	0.8
135.07999	0.9
135.11620	0.7
136.05095	1.3
137.05981	5.2
138.06784	2.8
139.03877	1.1
139.07520	1.2
139.11096	0.9
140.04683	3.0
141.06952	1.1
142.07709	2.0
142.15036	0.5
143.08583	2.6
147.04420	3.9
148.05217	4.4
148.57726	0.5
148.96106	0.5
149.02339	0.7
149.05989	10.0
151.02937	0.5
151.03917	6.7
152.96890	1.9
153.04338	1.2
153.05460	0.7
153.09084	0.9
154.06474	0.6
156.09372	1.6
157.10152	6.5
157.97507	0.7
163.07437	0.5
163.14816	1.1
166.06268	23.5
167.06999	0.7
169.06552	0.6
171.08080	0.6
171.11694	1.8
175.98567	3.9
181.05331	2.5
181.08612	100.0
184.08940	0.7
190.82614	0.5
199.04204	0.5
199.06036	2.0
199.08687	0.8
199.09615	0.5
199.11137	2.8
199.14885	5.7
199.18910	16.2
204.82010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1327
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
53.03944	0.4
53.82615	0.3
55.05515	4.4
55.29570	0.3
57.07069	0.7
57.15966	0.4
59.06256	0.3
65.03958	0.4
67.05492	0.4
69.07061	0.5
70.90803	1.1
70.95876	0.4
72.93769	0.5
78.86707	0.4
79.05475	0.8
81.07063	0.5
90.89777	0.4
91.05486	1.3
92.45143	0.4
95.04948	0.4
101.42817	0.3
103.05489	0.4
105.07041	9.0
111.98451	0.4
115.05466	1.3
117.07048	0.7
119.08572	1.5
128.06221	1.9
129.07007	4.4
131.08557	1.5
132.15393	0.3
132.95815	0.7
137.24622	0.3
141.06990	7.4
142.07822	2.7
143.08578	4.6
150.94804	0.4
150.96878	1.2
152.06207	0.9
153.06995	6.8
154.07776	7.0
155.08562	59.9
156.09363	12.7
157.10181	2.5
163.06937	0.6
165.06982	1.5
166.07777	0.7
167.08569	26.0
168.09366	7.6
169.10130	46.6
170.10463	0.6
173.98492	0.8
180.09360	1.0
181.10135	3.4
182.10919	47.8
183.11272	1.1
195.11638	1.5
197.13268	100.0
198.13631	1.3
198.18544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.00031	0.9
53.03952	2.2
55.01863	1.9
55.05516	6.0
57.07061	3.7
59.04999	3.2
65.03934	1.4
67.05508	8.1
68.99801	0.9
69.03428	4.2
69.07057	2.4
70.95869	8.1
71.04992	2.4
71.57975	1.3
72.93783	4.4
79.05493	8.1
81.07059	11.2
83.04961	2.0
83.08617	2.2
85.06544	2.3
91.05482	18.4
91.06014	1.7
93.07047	25.6
95.04962	10.0
95.08617	7.9
97.06526	1.6
99.04477	1.5
103.05475	0.9
105.03447	1.2
105.07036	31.9
107.04964	2.4
107.08598	71.1
107.52001	0.9
109.06532	12.1
109.10147	9.9
111.08064	1.7
111.98504	6.8
117.07025	1.7
119.04937	2.8
119.06058	1.3
119.08591	10.7
121.06503	5.4
121.10144	2.8
123.04421	3.7
123.08062	1.4
123.11705	5.0
124.01304	0.9
125.06010	1.6
128.06201	1.2
129.07042	1.1
129.99496	3.0
131.08524	2.1
132.95842	11.4
133.02817	1.3
133.06499	1.4
133.10133	68.7
134.10466	1.5
134.99547	1.2
135.08076	1.7
135.11694	47.1
137.05995	9.9
137.09627	4.4
137.13162	1.0
138.06888	1.4
141.07007	4.1
143.08571	2.8
146.07211	1.3
147.04515	1.2
147.33694	0.9
149.09608	1.1
150.96887	19.4
151.03888	1.7
151.07599	2.1
151.11224	7.4
153.07007	2.3
154.06448	1.1
154.07793	2.9
155.08537	9.8
155.97437	8.5
156.09390	1.4
161.09625	33.1
165.05528	2.2
167.08624	5.9
167.10655	2.1
168.09282	1.8
169.08743	1.8
169.10141	7.6
173.98491	12.8
179.10680	100.0
180.11024	1.3
182.07300	1.8
182.10947	8.7
197.00137	1.1
197.05960	1.9
197.09775	4.7
197.11736	70.2
197.13306	15.3
198.18541	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01870	1.5
55.05500	2.9
57.03432	1.1
60.78796	0.8
61.02906	1.2
67.05512	4.3
69.03426	2.0
69.07067	1.2
70.53460	2.8
70.95866	4.3
71.04990	0.9
72.93788	1.6
73.02917	2.3
79.05508	8.1
81.07065	9.9
83.04957	1.2
83.08607	1.5
89.37729	0.8
91.05482	14.3
93.07052	22.5
95.04968	2.3
95.08617	7.0
97.06527	2.0
105.07040	32.8
107.08601	100.0
108.08920	1.9
109.06502	5.1
109.10175	6.4
111.04454	0.8
111.98471	3.4
113.06010	0.9
115.05460	1.0
119.04972	1.9
119.06007	1.0
119.08591	15.1
120.58204	0.9
121.06492	2.7
121.09323	1.2
121.10150	15.7
123.04453	0.9
123.08052	2.6
123.11711	2.7
125.09624	1.5
128.06219	1.4
129.99548	1.7
131.08574	4.1
132.95859	8.4
133.10141	61.7
135.11716	1.8
137.05949	3.8
137.09624	3.0
139.07542	3.1
141.07021	1.5
143.08566	1.7
146.07315	1.6
148.10760	0.8
149.09641	10.1
150.96884	10.4
151.07573	3.0
151.09982	1.0
151.11198	18.3
155.08540	3.5
155.97461	5.2
156.09279	1.2
161.09631	18.0
167.08542	2.0
167.10692	26.0
169.10062	4.4
173.98503	4.7
179.07178	1.2
179.10683	40.7
182.10934	3.9
191.55066	0.8
197.09895	2.2
197.11736	55.0
197.13293	6.1
198.18558	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	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68789	1.3
53.69994	1.4
55.05505	3.5
59.03529	1.4
59.04996	3.3
67.05489	5.0
69.07071	2.7
70.54324	3.7
70.95857	3.6
72.93799	2.1
79.05488	8.7
81.07052	7.1
83.04958	1.6
91.05491	21.2
93.07061	24.4
95.04984	9.1
95.08613	4.8
105.06394	2.5
105.07047	36.7
107.08607	68.7
109.06530	6.4
109.10186	6.9
111.98529	2.5
115.05475	1.4
117.07078	1.7
119.08601	11.0
121.06530	6.7
123.04430	3.1
123.11704	3.2
125.05985	1.5
129.99490	1.5
131.08560	3.9
132.95856	8.9
133.10144	67.0
135.08028	2.8
135.11717	58.2
137.06017	3.4
137.09618	6.0
141.06964	5.0
143.08546	3.5
146.07292	1.7
147.04422	2.6
150.96930	9.1
151.11177	5.5
153.07002	3.3
154.07808	1.5
155.08568	20.1
155.97452	5.7
156.09332	3.7
161.09633	31.6
167.08543	6.9
168.09335	3.0
169.10127	13.6
173.98514	5.1
179.10690	100.0
182.10938	9.7
197.11725	59.4
197.13307	23.7
198.12114	1.7
198.18483	3.4
211.41890	1.6
212.51498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01894	1.4
55.05519	1.7
60.23271	0.7
61.02922	1.9
67.05511	1.9
68.46195	0.7
69.03422	2.0
71.11261	0.8
72.49397	0.6
79.05495	6.8
81.07060	5.4
90.96144	0.7
91.05487	14.7
93.07054	14.7
95.04974	2.1
95.08601	4.4
97.06512	1.1
105.07038	26.5
107.08603	100.0
108.08934	1.3
109.06527	4.5
109.10190	4.0
115.05422	1.1
117.07057	1.2
119.04946	1.5
119.08589	11.4
121.06521	1.6
121.10146	14.1
123.08079	1.3
123.11716	3.1
125.09655	0.9
128.06197	1.4
131.08569	2.1
132.05652	1.1
132.95815	0.9
133.10139	57.1
135.11705	2.9
137.05939	1.5
137.09624	2.4
139.07539	2.5
141.07083	0.7
143.08577	2.2
146.07318	0.7
149.09636	8.6
151.07535	2.9
151.11194	16.0
155.08598	0.7
161.09644	14.8
167.08568	1.0
167.10689	23.7
169.10117	1.1
173.54730	0.7
173.98459	0.8
179.10683	34.6
197.11737	49.3
198.12109	1.1
198.18562	1.6
209.62576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03939	1.3
53.20957	0.8
55.05507	3.3
59.05014	1.6
65.03930	1.6
67.05515	6.4
69.07058	2.3
70.95840	1.4
71.47155	1.7
79.05517	6.7
81.07046	7.6
83.04993	1.6
91.05489	21.2
93.07050	22.2
95.04969	8.0
95.08604	5.3
103.57356	1.1
105.07044	28.8
107.08605	62.9
109.06529	4.1
109.10160	7.2
117.07043	1.9
119.04929	1.7
119.08601	8.0
121.06536	5.8
121.10152	1.1
123.04427	4.3
123.11755	2.9
129.06999	1.1
131.08583	2.5
132.95882	2.2
133.10144	71.6
135.08089	2.4
135.11708	50.7
137.05991	2.9
137.09637	4.7
139.61386	1.0
141.06973	1.8
143.08568	1.9
146.07230	1.4
150.96942	2.8
151.11177	6.9
153.06998	1.6
154.07765	1.9
155.08559	9.6
155.97420	2.4
161.09636	33.9
167.08612	3.0
168.09355	1.7
169.10139	7.6
173.98514	2.3
179.10690	100.0
180.10951	1.5
182.10976	6.2
193.96886	1.0
197.11748	57.4
197.13326	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	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.08508	0.3
53.03945	0.6
55.01870	2.1
59.51668	0.3
65.03951	1.8
67.05513	1.8
69.63313	2.1
70.95860	1.0
71.32152	0.3
72.93784	0.6
73.02923	20.9
75.24109	0.3
77.03900	0.3
79.05489	0.5
81.07052	0.4
85.02914	0.5
89.03953	0.3
91.05489	4.8
93.03397	1.5
94.87949	0.3
95.04964	1.6
107.04967	0.6
108.02112	2.0
109.06547	0.9
110.03678	2.7
111.04456	1.9
111.98476	1.2
119.04947	4.3
123.04426	0.5
125.06003	16.1
129.99550	0.6
132.95830	2.0
133.02809	0.5
133.10088	0.4
136.01532	0.5
136.05211	0.5
137.05983	1.9
137.09558	0.3
141.05473	3.3
147.04424	13.2
149.06015	2.4
150.96904	2.7
151.03922	100.0
151.05017	7.7
151.07483	5.8
152.04286	0.5
155.97462	1.4
165.05467	0.6
173.98431	1.5
179.07050	18.9
179.10579	0.6
179.14302	0.4
182.05682	0.6
184.52431	0.3
197.08095	6.0
197.13359	0.5
199.34785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.94714	0.9
53.03940	2.4
53.05563	0.8
55.01866	1.6
55.05264	1.5
55.05511	17.1
57.03440	1.7
57.07080	5.3
65.03940	1.4
67.05508	9.1
69.03426	1.7
69.07071	36.2
70.52345	2.4
71.04989	5.7
71.08645	1.0
75.95667	0.9
79.05498	14.1
80.05866	1.0
81.07060	43.0
83.04978	2.3
83.08615	15.3
85.06525	4.8
89.03913	2.1
91.05486	6.8
93.07048	24.8
95.04978	2.8
95.08611	71.5
97.06497	1.5
97.10176	10.8
99.08097	10.6
103.05499	1.9
105.07028	6.6
107.04958	15.7
107.08602	51.6
109.06511	1.8
109.10168	15.6
111.08080	2.5
111.11701	2.4
113.09660	7.9
115.05460	1.7
117.03395	2.8
119.08566	2.9
121.06483	2.6
121.10146	67.8
123.11713	5.2
123.12502	0.9
125.09610	6.6
131.08546	0.9
133.10028	1.3
135.04428	2.1
135.08076	6.0
135.11713	18.1
137.05911	1.0
137.09578	2.2
137.13260	19.2
139.11183	3.6
145.02859	5.8
149.05966	3.0
149.13287	6.5
151.14879	2.0
152.06236	1.0
154.06268	3.4
159.11670	2.6
163.03928	1.8
163.07547	6.1
165.05653	1.5
165.06996	7.1
167.07066	1.9
167.08472	1.9
177.05489	7.0
177.12755	3.2
177.16399	100.0
178.16792	1.3
179.08554	1.1
180.09311	4.2
195.02966	1.8
195.06587	2.4
195.08232	1.5
195.10110	2.4
195.11731	8.7
195.13768	3.7
195.15630	1.6
195.17444	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91017	0.4
53.83634	0.4
55.01874	0.5
55.05496	0.4
56.05021	1.1
56.96563	2.1
57.03442	0.5
58.99863	0.6
59.80487	0.4
67.05508	0.5
69.03425	1.9
69.07052	0.9
69.96162	0.7
70.00397	1.7
70.06579	1.3
70.95874	6.8
72.08150	0.7
72.93787	2.7
73.02909	0.5
77.00903	0.7
79.05487	0.7
81.07060	0.6
82.01432	0.5
82.99841	0.7
86.70662	0.4
88.96891	1.8
90.94822	1.4
91.05465	0.6
93.07046	0.7
95.04974	0.5
97.02895	1.7
97.03793	0.6
97.06530	1.2
98.97582	1.5
100.02505	3.1
101.00877	5.1
101.02625	0.5
101.54626	0.5
102.02216	1.5
105.07046	0.8
107.08582	1.5
108.48846	0.5
109.10181	0.5
111.98482	5.3
113.08244	0.7
113.96368	0.6
114.04012	2.5
115.05556	0.4
116.98629	1.9
118.03497	2.4
119.01926	31.8
119.08617	0.4
120.01996	0.7
120.03274	1.3
121.01595	0.4
121.03490	0.5
127.02464	0.5
129.02728	0.5
129.03993	1.1
129.99519	3.8
131.01915	1.9
131.05548	0.4
131.96135	1.8
131.97482	0.5
132.01988	0.9
132.05078	32.9
132.95828	8.1
132.96684	0.8
133.01788	0.4
133.03473	3.2
133.05222	0.6
133.10117	0.8
134.03647	0.8
134.99684	2.1
135.11714	0.7
137.02965	12.2
137.08235	0.5
138.03139	0.5
141.07007	0.4
142.03500	1.4
144.05019	0.5
145.03477	7.1
146.03584	1.5
146.99780	0.9
147.03801	8.8
147.04979	0.9
149.02957	0.7
149.97198	4.0
150.03195	0.5
150.06125	21.7
150.96835	15.4
151.04533	0.8
151.09479	0.8
153.00740	0.7
154.90794	0.7
155.01984	2.0
155.03276	0.5
155.06720	0.6
155.97385	6.7
156.00284	1.2
156.02116	0.4
156.05025	6.4
156.97519	1.0
157.03522	0.7
157.05197	0.7
158.04916	0.6
161.02969	0.7
161.09671	0.5
163.04512	2.3
165.04866	3.1
167.98253	0.5
168.98032	0.6
169.03551	0.8
169.05196	0.8
169.10091	0.5
171.05064	0.8
171.06578	0.4
172.98842	0.5
173.01343	0.8
173.02963	10.2
173.04517	0.6
173.06396	0.6
173.07831	0.8
173.98463	11.7
174.03067	4.6
174.06131	100.0
174.98611	1.2
175.02773	0.8
175.04491	1.5
175.06273	2.2
177.00919	2.3
178.01070	0.5
179.10707	1.4
187.04526	4.5
187.06084	0.8
188.07712	1.8
189.06122	0.7
191.02441	0.7
191.04025	2.6
192.04201	2.4
192.07179	24.2
193.05550	0.5
193.07207	0.6
196.04543	0.4
196.91833	0.7
197.00621	2.7
197.02965	3.0
197.04720	1.9
197.06201	0.6
197.07895	3.6
197.09700	0.7
197.11687	1.0
197.13293	1.0
197.99190	0.9
198.05995	0.7
198.18546	3.7
205.05640	0.5
214.95605	1.1
215.01750	1.7
215.04022	2.1
215.05844	1.1
215.07573	0.8
215.11168	0.5
216.07228	0.5
217.91324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.4
55.01875	3.5
55.05270	2.6
55.05518	32.7
57.03431	4.0
57.06871	1.8
57.07081	19.9
59.04996	3.2
61.66734	1.7
67.05156	2.9
67.05506	27.1
67.16349	1.9
69.03426	2.0
69.07074	55.8
70.03588	6.7
71.05000	9.3
71.08635	3.6
76.59267	1.7
79.05066	2.3
79.05497	22.5
81.07060	80.9
83.04970	2.3
83.08632	20.1
85.06554	19.2
86.90768	1.8
91.05495	10.2
93.07043	50.7
95.08616	100.0
97.06553	5.0
97.10172	22.9
99.08096	26.4
105.07032	7.9
107.04961	9.0
107.08602	66.5
109.10169	33.0
111.08109	10.0
111.11732	7.2
113.09660	4.8
121.10151	79.8
123.08087	1.8
123.11706	15.4
125.09644	14.6
135.11703	28.6
137.13248	20.8
139.11180	7.3
145.02873	3.0
149.13278	5.1
151.14801	5.8
155.08678	1.7
163.07567	2.9
165.07043	10.5
166.07719	2.3
167.07120	2.8
167.08583	1.9
168.97482	1.8
177.05452	5.1
177.16397	83.5
180.07932	3.1
180.09370	9.7
182.81557	2.1
190.96820	1.8
195.07710	2.5
195.10188	2.8
195.11716	14.1
195.17467	39.6
195.19115	3.2
212.79607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	1.6
55.01868	10.5
55.05263	1.8
55.05512	27.2
57.07071	9.8
59.04998	2.4
67.05511	15.0
69.03112	1.6
69.03432	14.2
69.07072	62.0
71.04987	8.4
71.08630	2.1
71.57694	1.8
71.58092	2.0
79.05497	15.4
80.05648	1.2
81.06581	2.9
81.07059	55.9
83.04955	3.8
83.08619	18.8
85.06546	14.1
89.03905	2.0
91.05488	9.1
93.07046	30.9
95.04967	3.3
95.08611	80.9
97.06540	3.7
97.10175	12.9
99.08097	64.4
99.08751	3.0
103.05434	2.2
105.07043	7.3
107.04972	12.3
107.08601	57.5
109.06547	2.9
109.10162	17.7
111.08086	28.8
111.11710	6.1
113.09662	6.8
117.03387	4.4
119.08588	3.8
121.02843	1.8
121.10151	91.6
121.56445	1.5
123.11707	11.3
125.08753	3.0
125.09634	39.8
127.11156	1.8
131.08574	1.5
133.10132	2.9
135.08043	4.6
135.11707	24.5
137.09610	2.8
137.13258	37.9
139.11205	7.0
145.02892	6.7
149.05981	2.0
149.09593	2.2
149.13266	7.2
151.14809	1.7
153.12741	1.6
156.55112	1.3
158.23590	1.5
159.11708	1.4
160.97000	1.3
163.03943	2.1
163.07523	4.1
165.07040	10.6
167.07054	3.7
167.08545	3.2
177.05464	7.4
177.09097	1.5
177.16396	100.0
180.07910	2.0
180.09334	8.7
187.54698	1.3
195.06448	2.4
195.08134	3.2
195.10089	5.6
195.11679	13.9
195.13708	3.3
195.15817	2.8
195.17467	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01863	2.5
55.05513	37.2
57.03438	5.0
57.06824	1.2
57.07081	18.2
59.04988	3.8
64.97244	0.8
65.03948	1.0
67.05508	25.9
68.74060	0.9
69.03438	1.1
69.07071	47.9
69.67390	5.2
71.04989	10.2
71.08621	3.1
74.31149	0.8
77.03872	1.2
79.05493	25.5
81.07060	83.5
83.04976	1.7
83.08621	19.7
85.06060	1.6
85.06539	18.5
85.10165	1.5
91.05476	8.8
93.07048	46.2
95.04978	2.3
95.08611	100.0
97.06544	4.2
97.10172	21.3
99.08098	15.1
103.05399	1.0
105.07025	6.6
107.08597	65.0
107.32359	0.8
109.06513	1.6
109.10159	33.5
111.08076	4.3
111.11714	7.3
113.09656	3.4
115.11182	1.8
119.08572	1.5
121.10149	77.1
123.08030	1.2
123.11709	14.6
125.09639	4.9
135.11700	25.9
137.13261	19.7
139.11182	7.1
149.13283	6.5
151.14845	5.2
153.12766	3.4
165.16386	1.4
177.05391	1.5
177.16391	71.6
177.23192	0.9
180.09378	1.4
195.11786	1.4
195.17453	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36561	0.8
53.03926	1.8
55.01873	1.9
55.05515	34.6
57.03440	4.6
57.07080	18.0
59.04995	2.2
61.79345	0.7
65.03945	1.8
67.05180	1.8
67.05511	29.4
69.03429	1.6
69.07074	51.9
71.04997	10.5
71.08618	3.9
71.10773	2.1
77.03877	1.2
79.05498	26.3
81.07063	83.7
83.04965	2.9
83.08627	20.0
85.06078	1.2
85.06550	17.1
85.10165	1.6
91.05481	12.6
93.07053	48.6
95.04942	2.8
95.08614	100.0
97.06519	4.6
97.10178	19.5
99.08097	15.8
103.05495	1.2
105.07021	7.2
107.04953	1.7
107.08602	76.0
109.06506	1.1
109.10165	29.6
109.97845	1.0
111.08071	5.6
111.11710	6.5
113.09634	2.4
115.11146	1.1
119.08569	1.9
121.10154	74.5
123.11708	13.7
125.09646	4.9
133.10062	0.9
135.11705	27.1
137.12299	1.6
137.13271	17.1
139.11205	7.0
145.02856	1.6
149.05997	1.5
149.13277	6.3
151.14796	5.2
153.12750	2.2
165.16324	1.4
177.05460	2.0
177.16400	70.4
195.08243	1.0
195.17461	35.8
209.96330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.2
55.05268	2.0
55.05515	34.7
57.07086	8.8
58.24282	1.4
59.04993	2.1
67.05509	16.9
69.03429	11.5
69.07072	54.6
70.35202	1.3
70.49866	3.3
70.50270	2.4
71.04990	7.8
71.08633	1.6
72.83173	1.2
78.09146	1.2
79.05498	12.1
81.07063	51.9
83.04964	2.4
83.08627	21.1
85.06538	9.4
91.05476	7.2
93.07053	30.0
95.08614	83.4
97.10187	15.9
99.08100	65.1
105.07021	5.8
107.08604	54.4
109.10153	20.6
111.08082	16.9
111.11713	5.3
113.09633	9.5
119.08561	2.2
119.78056	1.5
121.10149	83.2
123.11710	8.6
125.09631	38.4
135.11711	19.7
137.13257	24.3
139.11169	3.6
145.02873	1.7
149.13269	6.1
151.14853	2.7
177.05469	1.8
177.16403	100.0
195.06493	1.7
195.11722	1.7
195.17458	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03951	1.8
55.01875	2.5
55.05515	33.1
55.61941	0.7
57.03437	4.6
57.07078	19.2
57.53569	0.7
59.04996	2.5
65.03945	1.2
67.05509	28.0
69.03432	2.3
69.07072	50.1
69.97486	3.1
69.97823	0.8
71.04990	9.2
71.08631	3.2
76.92240	0.7
79.05496	25.5
81.07061	82.5
83.04984	2.7
83.08621	22.7
85.06549	14.8
85.10194	1.1
91.05480	10.3
93.07047	46.6
95.04970	1.8
95.08611	100.0
97.06531	4.4
97.10176	19.5
98.20805	1.1
99.08099	15.6
103.05504	0.7
105.07021	7.0
107.04957	2.1
107.08600	71.5
109.06577	1.7
109.10160	30.7
111.08099	5.9
111.11729	8.0
113.09659	2.8
115.11212	1.2
119.08620	1.8
121.06487	1.1
121.10149	78.1
122.10467	0.8
123.08108	1.0
123.11719	14.4
125.09617	7.0
133.10091	0.8
135.08061	2.0
135.11694	28.5
137.13266	18.7
137.14070	0.5
139.11198	6.9
145.02844	1.0
149.13243	7.0
151.14821	5.5
153.12756	2.0
157.06528	1.0
163.07602	0.9
165.07076	1.1
165.16429	1.1
175.14752	1.1
177.05501	1.7
177.09157	0.8
177.16400	69.2
178.16730	1.1
180.09354	0.9
182.91653	0.7
195.08096	2.0
195.11679	1.4
195.17455	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.00323	0.5
53.03946	2.1
55.01884	3.5
55.05514	35.1
57.03442	5.0
57.07080	19.0
59.05000	2.8
65.03942	2.0
67.05510	29.4
67.05876	1.2
69.03436	3.0
69.07072	51.1
70.72747	1.0
70.73097	1.0
71.04996	10.0
71.08633	3.3
73.06561	0.6
77.03912	0.5
78.04704	0.5
79.05497	26.3
81.07061	85.1
82.07404	0.8
83.04990	4.5
83.08623	23.5
85.06548	17.6
85.07069	0.7
85.10205	1.6
89.03925	1.4
89.06024	0.9
91.05482	13.5
92.06297	0.6
93.03412	0.7
93.07052	52.1
94.04195	0.6
94.07408	0.6
95.04974	3.7
95.08612	100.0
96.08954	1.3
97.06529	4.9
97.10179	21.3
99.04509	0.7
99.08102	21.8
103.05455	1.9
105.04545	0.7
105.07037	11.7
107.04974	5.6
107.08601	71.0
108.08908	1.1
109.06521	2.9
109.10162	34.2
110.10539	0.7
111.08089	8.7
111.11728	8.0
113.09648	4.6
115.05449	0.6
115.11197	0.8
117.03367	2.8
117.07023	1.1
119.06017	0.6
119.08569	1.8
121.02882	4.3
121.06526	3.8
121.10149	78.4
122.10506	0.5
123.04414	1.0
123.08060	1.4
123.11713	15.2
125.06036	0.8
125.08746	0.8
125.09637	9.0
127.11250	0.6
131.08571	0.8
133.10115	0.6
135.04416	1.2
135.08073	7.6
135.11702	27.8
137.05992	2.1
137.09647	0.6
137.13261	19.3
138.06728	2.6
139.11192	8.1
145.02870	5.5
146.07272	1.3
147.04359	0.7
148.05170	0.5
148.97368	1.1
149.05977	2.1
149.09596	2.2
149.13271	7.4
150.09169	0.7
151.14806	3.8
152.06194	2.0
153.09126	1.3
153.12723	3.5
153.97888	0.6
157.06506	0.9
159.11696	0.7
162.06749	1.2
163.03888	1.1
163.07556	5.6
164.08348	0.8
165.05641	0.9
165.06999	4.2
165.16373	0.8
167.07014	1.6
167.08566	3.6
177.05522	5.3
177.06929	1.2
177.09099	1.1
177.12988	1.3
177.16396	67.4
178.04977	0.5
178.16733	1.3
179.08517	0.8
180.07820	1.4
180.09357	2.9
195.02922	1.6
195.06491	0.9
195.08098	6.1
195.10141	2.9
195.11696	5.0
195.13757	1.6
195.17451	37.0
211.07730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.44070	0.7
53.03941	2.3
55.01859	2.8
55.05514	5.3
57.07073	1.7
64.50076	0.7
65.03917	1.2
67.05507	9.7
69.03423	2.6
69.07076	5.4
69.25345	8.1
71.04998	6.8
74.84642	0.8
77.03898	0.8
79.05499	6.9
81.03392	0.8
81.07059	19.2
83.04989	14.0
83.08626	1.3
85.02894	1.3
85.06060	1.4
85.06544	15.2
89.03913	2.5
91.05480	14.2
93.07049	30.6
95.04970	4.9
95.08054	1.1
95.08608	16.1
97.06531	7.9
99.04462	5.4
99.08102	1.6
103.05449	0.8
105.07037	7.3
107.04966	11.6
107.08603	24.1
109.06535	10.7
109.10168	7.7
111.08094	2.2
115.05455	1.1
115.07528	1.8
117.03381	5.0
117.07048	7.0
119.06088	0.8
119.08588	27.0
119.92458	1.0
121.06509	26.8
121.10164	8.2
123.08092	1.0
125.09602	3.3
131.08583	4.4
133.10147	12.5
134.03601	0.8
135.04414	2.4
135.08061	8.1
135.11705	43.6
137.09627	63.6
138.09991	1.2
139.07541	2.6
141.45300	0.8
144.09320	1.9
145.02831	7.6
148.97343	1.1
149.05942	2.4
149.09604	2.9
149.13268	18.9
150.09149	2.0
152.06241	1.0
153.05464	0.9
153.09117	1.0
159.11702	28.7
163.03903	2.7
163.07542	1.5
165.07004	7.3
167.07101	1.4
167.08585	2.9
176.33139	0.9
177.05472	9.3
177.12758	57.5
177.16341	2.7
178.13083	0.9
179.08549	1.4
180.09367	7.9
195.06538	1.8
195.08095	3.5
195.10091	2.0
195.11790	9.2
195.13808	100.0
196.14127	1.1
209.01558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03942	1.0
55.01879	4.2
55.05512	9.5
57.03441	1.3
57.07069	1.6
65.03932	1.0
66.88334	0.9
67.05506	13.1
68.55184	0.8
69.03429	2.9
69.07071	13.3
70.81812	2.0
71.04994	8.7
77.03956	1.0
79.05495	12.5
81.03457	0.8
81.07061	31.4
82.92410	0.9
83.04988	14.0
83.08629	5.3
85.02889	1.3
85.06548	15.4
89.03928	4.6
91.05479	12.6
93.07046	37.2
93.07632	1.9
95.04498	0.8
95.04987	7.3
95.08614	32.9
97.06530	9.3
97.10178	6.2
99.04465	4.9
99.08095	2.9
103.05486	1.4
105.07041	8.4
107.04960	12.1
107.08604	35.9
109.06516	14.2
109.10161	11.9
109.98786	0.9
111.08090	3.3
111.11716	2.0
113.06022	1.3
113.09657	3.3
115.07559	1.2
117.03394	7.5
117.07022	6.2
119.08583	22.8
121.02978	0.8
121.06519	23.8
121.10146	27.3
123.04408	1.6
123.08065	1.1
123.11691	1.5
125.05990	1.5
125.09657	5.0
129.07004	2.3
131.08578	7.1
133.10141	11.2
134.03656	1.6
134.10567	1.0
135.04433	3.8
135.08104	8.2
135.11702	48.5
137.06099	1.2
137.09624	62.8
137.13249	4.8
139.07523	2.6
141.06981	1.1
144.09348	2.4
145.02870	11.7
149.05998	3.9
149.09634	3.3
149.13260	20.6
150.09175	1.9
152.06245	2.5
153.07002	4.5
155.08582	3.1
159.08157	0.9
159.11705	25.1
163.03937	5.3
163.07486	1.3
165.07008	50.8
166.07851	4.5
167.07196	1.6
167.08530	9.1
171.98920	1.2
177.05476	13.9
177.12766	52.0
177.16382	27.1
178.07796	2.2
178.13126	1.7
179.08574	9.4
180.09343	47.6
181.09621	1.2
193.10138	1.2
195.06491	3.0
195.08109	7.8
195.10223	2.6
195.11723	77.1
195.13820	100.0
195.17447	7.5
196.12206	1.4
196.14166	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	3.4
53.68975	0.5
55.05511	1.9
57.07083	0.7
59.05005	0.7
65.03939	1.7
66.04734	0.7
67.05503	1.8
69.07066	1.1
71.04999	2.5
71.33638	0.5
77.03976	0.8
79.05498	25.0
81.07062	100.0
82.07403	1.3
89.03913	1.5
89.06059	0.5
91.05489	7.2
93.07049	19.0
95.04993	2.0
95.08611	3.1
97.06509	0.6
97.10215	0.5
103.05494	0.7
105.04501	0.5
105.07030	3.4
107.04961	2.8
107.08600	22.6
107.57291	0.4
109.06508	3.4
109.10149	3.2
111.08114	0.7
117.03391	2.2
117.07019	0.6
119.08592	2.2
121.06457	0.6
121.10167	0.7
123.04476	0.8
123.08054	0.4
129.07013	0.8
135.04440	1.1
135.08081	1.0
135.11700	17.5
137.09624	3.0
145.02895	3.2
149.06004	1.5
149.13368	0.6
150.09167	2.0
152.06190	0.7
153.06978	3.0
153.12767	1.8
155.08580	1.0
159.11638	0.8
163.03885	2.3
163.07556	0.7
165.07013	25.3
166.07652	1.4
166.27643	0.4
167.08543	4.4
177.05470	4.1
177.12804	1.0
178.07791	0.8
179.08542	3.9
180.09352	22.2
193.10179	0.9
195.08093	1.4
195.11714	35.4
195.13698	2.0
196.09814	0.5
196.12035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31908	0.5
68.50388	0.6
69.83649	3.4
91.05481	0.7
93.02019	0.6
103.05454	0.6
115.05464	0.8
117.07008	1.0
129.06996	2.4
141.07001	1.2
152.06212	1.8
153.07014	5.3
155.08572	4.3
165.07022	66.3
166.07761	2.8
167.08598	10.7
178.07784	3.8
179.08569	13.8
180.09361	60.3
181.09654	1.7
193.10168	3.1
194.10941	0.7
195.11719	100.0
196.12099	1.2
200.45750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36436	0.5
53.03946	1.1
55.01877	0.8
55.05519	3.1
56.79682	0.6
57.03448	0.7
67.05497	3.1
69.03424	1.2
69.07071	4.6
71.04985	2.1
71.57612	1.0
79.05496	5.2
81.07063	7.5
83.04984	1.2
83.08624	1.2
85.06551	1.6
89.03915	3.3
91.05486	3.1
93.07051	6.9
95.04990	2.3
95.08031	0.9
95.08611	7.3
97.06542	1.5
97.10177	1.5
99.04469	0.6
99.08086	2.2
103.05476	1.2
105.07038	3.2
107.04962	9.5
107.08611	6.3
107.49241	0.6
109.06533	1.7
109.10172	2.6
111.08098	1.6
115.05446	1.4
117.03395	7.0
117.07044	1.9
119.08583	1.7
121.06532	2.3
121.10159	6.3
123.04408	1.1
123.08065	0.7
125.09656	0.9
129.07005	1.2
130.96271	1.0
131.08589	1.2
133.10194	1.2
134.03665	1.3
135.04442	3.4
135.08057	4.6
135.11707	5.4
137.05956	1.1
137.09605	1.9
137.13283	1.4
141.06964	1.0
145.02866	10.4
145.03967	1.0
149.05997	4.0
149.09601	1.7
149.13242	1.2
149.21333	0.5
150.09137	1.2
151.03964	0.7
152.06218	1.7
153.06996	6.2
155.08534	5.2
159.11674	0.9
160.47934	0.6
163.03946	3.9
163.07642	0.6
165.07014	68.9
166.07782	4.9
167.07191	1.1
167.08559	11.7
177.05498	14.3
177.09064	1.4
177.12762	1.8
177.16440	4.3
178.07780	3.1
179.08575	12.8
180.09354	62.9
181.09721	1.1
193.10149	2.4
195.03026	0.9
195.06551	2.0
195.08127	2.4
195.11714	100.0
195.17473	2.7
196.12045	1.7
201.43208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1177
Annotation	SALSOLINE
Peak:m/z	Relative Intensity
70.82423	1.1
70.82764	0.6
79.05453	1.0
86.17883	0.6
91.05481	9.3
93.07051	0.7
95.04966	2.5
103.05471	1.4
105.07031	2.4
107.04909	0.8
115.04676	1.2
115.05457	12.2
117.07021	74.5
118.99207	0.6
119.04948	5.2
121.06476	3.6
133.06503	1.2
134.09656	2.1
137.05968	1.2
141.42731	0.6
143.39325	0.5
145.06488	100.0
149.06021	0.7
149.09708	1.3
151.07550	29.7
155.06061	2.8
162.06761	4.4
162.09084	1.2
165.07820	1.1
165.09090	6.0
177.09113	69.1
178.09366	0.6
194.11783	61.5
209.51308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01860	1.3
57.03423	0.5
60.36768	0.4
65.03945	5.1
67.05507	0.9
79.05498	4.2
81.07053	1.5
89.03933	0.7
91.05485	5.0
93.03410	6.6
93.07047	0.9
95.05013	1.9
95.08625	0.5
96.02092	0.4
99.71834	0.4
103.05475	22.8
105.07040	9.9
107.04962	26.4
107.08569	1.1
109.02865	1.3
111.04461	4.1
115.05458	3.3
117.03386	1.5
117.07034	1.3
119.04935	0.6
119.37305	0.5
120.05730	2.6
121.06507	1.3
124.05210	2.7
129.06992	0.5
131.04936	4.5
132.05748	0.7
133.06537	1.0
135.04427	0.7
135.08063	16.7
135.11690	0.9
139.03912	26.5
145.02849	1.4
145.07562	0.7
147.04425	0.5
148.05196	1.0
149.05960	0.4
153.06993	1.0
154.06259	100.0
155.06602	0.8
155.08553	1.3
163.03938	0.6
163.07559	25.5
165.05602	1.0
165.07011	16.3
166.07724	1.4
167.07065	4.1
167.08578	2.3
177.05460	2.5
178.07845	1.5
179.08594	2.6
180.07794	1.0
180.09338	14.6
195.06569	0.6
195.10136	5.1
195.11725	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	195.1019
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.64779	0.4
53.00296	0.7
53.03929	1.8
55.01859	1.8
55.05514	3.9
55.43533	0.5
57.03429	1.3
57.07056	1.0
58.10800	0.5
65.03943	6.1
67.05501	4.7
68.96320	0.5
69.03423	1.0
69.07069	6.4
71.01368	0.5
71.04997	2.2
71.56416	0.9
77.03916	0.6
79.05496	11.5
81.03421	1.0
81.07062	9.0
83.04984	1.3
83.08624	2.2
85.02875	0.5
85.06539	1.5
85.10167	0.4
89.03922	4.0
89.06051	0.8
91.05488	9.3
93.03411	6.6
93.07051	7.0
95.04981	4.5
95.08606	7.6
97.06548	1.2
97.10166	1.7
99.08084	1.3
103.05471	27.5
105.03322	0.6
105.04514	0.5
105.07036	13.5
107.04961	40.8
107.08601	9.0
109.02877	1.6
109.06522	2.3
109.10159	5.1
109.98955	0.5
111.04448	6.7
111.08097	1.3
111.11704	0.7
115.05461	5.2
117.03394	6.3
117.07027	2.0
119.04927	1.3
119.08588	1.2
119.28156	0.4
120.05746	2.9
121.02882	0.8
121.06504	3.7
121.09304	0.8
121.10136	7.2
123.04424	1.4
123.08056	2.5
123.11731	1.2
124.05219	3.4
125.06020	1.8
125.09615	1.5
127.99957	0.6
130.96303	0.9
131.04924	4.4
131.08571	0.7
133.06474	1.6
133.10120	0.8
134.03621	1.1
135.04440	2.3
135.08058	23.8
135.11688	4.4
136.12050	0.6
137.05994	0.8
137.09622	0.7
137.13243	1.9
139.03909	29.5
139.07549	0.9
142.86208	0.5
145.02852	9.8
145.04001	0.7
145.06645	0.9
145.07639	1.2
147.04451	1.2
148.05206	0.8
148.97346	1.3
149.06007	3.5
149.09622	1.3
149.13264	1.2
150.09158	1.1
151.07578	5.7
151.14746	0.8
152.04694	0.6
152.06212	2.1
153.07021	1.0
154.06253	100.0
155.06624	0.8
159.11678	1.0
162.03156	0.5
163.03947	2.7
163.07556	31.6
165.05594	1.3
165.06984	7.7
167.03357	0.6
167.07048	6.7
167.08559	3.0
171.98941	0.6
177.05481	12.7
177.09093	1.0
177.12776	1.9
177.16411	4.7
179.08537	1.4
180.07803	2.2
180.09354	5.5
195.02902	1.1
195.06494	1.8
195.08159	5.3
195.10153	10.0
195.11731	10.6
195.13799	2.4
195.15749	1.9
195.17404	4.3
196.10216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01865	1.1
57.03426	2.9
62.70572	0.7
65.03951	1.0
67.05490	2.4
69.93581	4.0
77.03923	1.2
79.05485	3.5
91.05492	27.1
93.07044	2.0
95.04983	1.6
98.21465	1.0
102.04691	2.6
103.05486	17.6
104.06264	1.0
105.03439	1.1
105.07042	18.5
107.04949	1.4
108.05729	1.9
115.05470	3.0
116.06253	11.2
117.07042	1.1
118.04172	1.5
119.04955	42.7
121.06501	3.4
123.04426	3.0
123.08088	5.8
130.04137	2.0
131.04938	28.5
132.05708	3.5
133.02873	7.0
133.06502	22.6
134.07320	8.2
136.05217	1.9
137.06018	2.0
144.05644	1.2
145.06503	0.9
147.04427	20.2
149.06052	1.4
151.07547	34.4
161.06004	8.3
162.06752	2.9
163.07562	19.3
165.05516	4.9
167.07039	1.7
177.09137	5.2
179.07047	47.5
193.08682	1.7
194.09410	100.0
195.09746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Heliamine
Peak:m/z	Relative Intensity
52.12915	0.9
56.96552	1.4
57.03442	1.3
60.04534	6.1
61.58673	0.7
69.03435	1.9
70.06590	1.4
70.98148	1.7
73.02910	2.6
79.05491	2.1
81.03416	1.7
84.04514	0.8
84.08156	1.3
85.02905	2.2
86.06042	0.9
91.05479	11.4
93.07036	1.4
95.04980	2.8
97.02885	2.2
101.00905	1.1
102.05560	3.7
103.05487	2.7
105.07028	3.8
109.02868	1.0
109.06550	1.8
115.05464	9.2
116.06254	0.8
116.07073	0.9
117.07025	71.9
119.01943	1.7
119.04931	7.4
121.06484	3.8
125.84824	0.7
127.03957	0.9
128.10698	0.7
130.08640	1.4
131.01950	1.1
131.04965	2.3
133.06508	1.2
134.09645	2.2
135.08105	1.4
136.05199	1.1
137.05983	3.7
143.01971	1.3
145.06493	98.3
146.06905	1.0
147.06822	1.0
148.01532	1.1
148.07545	1.0
149.06085	1.0
149.09631	2.3
150.06702	1.2
151.07552	54.6
155.01840	1.1
155.06047	2.0
157.03491	2.4
161.02890	1.5
162.06741	4.0
162.09163	3.1
163.07558	2.3
165.05437	1.1
165.09131	16.1
171.01399	1.8
171.03152	1.5
171.04990	0.9
173.02974	2.0
176.07085	1.8
176.09221	0.7
177.09117	67.1
178.09515	1.3
179.09482	1.6
180.05038	1.0
185.02988	1.7
189.00728	1.2
189.02319	1.2
194.08099	9.3
194.11778	100.0
195.12123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Heliamine
Peak:m/z	Relative Intensity
53.47520	0.5
54.31236	0.7
54.68953	0.5
61.85242	0.5
70.74102	1.2
71.62972	0.5
75.95965	0.6
86.53764	0.6
86.79619	0.6
91.05463	3.0
95.04995	0.7
103.05487	3.3
105.07043	2.2
109.06522	3.7
117.06988	2.2
119.04909	2.7
119.05711	0.6
123.07999	0.8
131.04938	4.8
133.06465	1.3
134.09682	3.5
135.08072	2.2
136.05182	2.1
137.05986	6.9
138.06796	1.0
145.06493	3.1
147.06776	1.3
150.06763	0.9
151.07550	63.4
162.09158	4.4
163.07564	6.3
165.09123	29.5
177.09123	3.0
179.09422	4.3
194.11778	100.0
195.12088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
57.03419	5.2
65.03934	2.7
67.05490	4.2
71.45399	2.2
78.04695	2.7
79.05497	8.3
80.06267	3.1
85.02879	1.2
91.05485	75.6
93.07059	6.4
95.04958	3.5
102.04689	8.8
103.05476	50.5
104.06269	2.8
105.03374	5.0
105.07035	34.7
106.07346	1.9
107.04942	4.4
107.08581	1.3
108.05745	4.8
115.05452	16.3
116.06246	28.4
117.07004	2.8
118.04145	3.4
119.04951	99.3
119.47588	1.2
121.06510	5.8
123.04433	5.7
123.08103	11.0
130.04128	4.1
130.92499	1.4
131.04936	79.8
132.05760	6.2
133.02876	23.6
133.06499	52.6
134.07301	19.2
135.08061	2.0
136.05234	6.6
137.05968	6.8
144.05696	5.2
145.02762	1.7
147.04422	58.9
147.08029	3.6
149.05925	4.1
151.07555	66.2
152.07942	1.4
161.05980	21.0
162.06749	8.6
163.07559	50.8
165.05479	11.7
165.07019	8.0
167.07112	8.0
167.08351	2.0
177.09096	14.0
179.07047	77.2
180.07535	1.3
180.09326	6.6
193.08611	3.9
194.09389	100.0
195.09866	2.0
195.11635	12.5
200.98103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0814
Annotation	Northalifoline
Peak:m/z	Relative Intensity
50.62687	0.3
53.03956	0.4
55.01863	0.4
58.95334	0.4
65.03944	0.7
67.05504	0.4
69.07072	0.6
79.05489	1.3
81.07053	1.1
85.00903	0.3
89.03923	0.5
91.05490	28.8
92.05797	0.6
93.07038	0.6
95.04975	6.5
95.08588	0.6
103.05475	0.8
105.07027	1.4
106.06614	0.7
106.07381	1.6
107.04947	1.1
107.08614	0.7
110.06100	0.7
116.05864	0.4
117.03413	0.8
117.07032	0.4
119.04956	24.7
121.06528	0.7
123.08081	0.6
133.06541	0.6
133.07541	0.4
134.05995	1.1
134.06873	1.5
134.10490	0.8
135.08101	0.8
135.11743	0.4
136.05225	3.6
136.62610	0.3
137.06012	2.3
138.10072	0.4
145.02872	0.9
145.06487	0.6
146.07292	0.4
149.05995	6.2
151.07558	68.4
152.07893	1.4
161.04710	1.2
162.06383	1.7
163.07518	0.6
165.05470	2.6
165.07031	1.3
165.09163	0.4
166.08665	1.3
167.58234	0.4
176.03578	0.4
176.07071	7.6
176.15152	1.1
177.05487	3.1
179.05754	2.6
194.08156	100.0
194.15492	1.5
195.08534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	5.8
55.05512	11.7
57.03435	1.5
57.07073	6.9
62.87100	0.8
65.03931	2.8
67.05508	37.3
69.03416	1.2
69.06724	1.3
69.07072	17.7
71.04968	1.1
71.08621	2.0
71.41467	0.8
71.56499	1.3
76.05355	0.8
77.03908	0.9
79.05054	1.6
79.05490	18.8
81.03435	1.3
81.07062	97.9
83.04976	2.0
83.08617	7.9
85.06590	0.9
91.05482	11.1
93.07048	7.9
95.04976	3.7
95.08613	100.0
96.08936	1.2
97.06536	1.2
97.10187	4.3
97.54523	0.9
99.08076	1.0
103.05472	11.4
104.06238	1.0
105.03377	1.1
105.07038	69.5
107.04942	2.6
107.08587	7.4
109.06536	4.5
109.10163	60.0
115.05450	11.8
117.07022	1.4
118.04164	8.2
119.08591	11.9
121.06496	1.2
121.10183	2.6
123.08079	2.6
123.11713	28.7
129.07010	1.8
131.04944	2.7
131.08618	1.5
132.05702	1.8
133.02905	1.9
133.06499	54.2
133.10133	12.4
134.06845	1.3
135.08015	1.9
135.11696	5.8
137.05968	4.0
137.09651	2.0
137.13255	9.9
143.06056	3.7
146.97429	2.3
147.04367	4.5
147.08047	1.1
147.11685	7.6
149.02336	1.8
149.05963	1.8
150.06757	3.1
151.07553	2.2
151.11191	1.8
151.14822	1.1
160.05075	1.1
161.05997	53.1
162.06795	8.2
163.03957	1.0
165.05559	1.0
165.06944	1.0
165.09117	5.4
175.07544	1.3
175.11192	3.2
175.14867	7.9
178.02666	2.9
178.06226	1.3
178.07800	12.2
193.04976	9.9
193.08589	18.1
193.10188	29.0
193.12241	5.5
193.15950	8.2
193.19548	11.3
194.08133	1.5
194.11949	1.2
194.15518	1.1
213.20177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0813
Annotation	Northalifoline
Peak:m/z	Relative Intensity
54.63806	0.4
59.33047	0.4
65.03948	0.9
67.05511	0.5
79.05494	1.0
89.03930	0.5
91.05483	32.7
92.05830	0.5
93.07061	0.5
95.04974	6.7
103.05491	0.8
105.07034	0.8
106.06570	0.5
106.07304	0.5
115.05452	6.4
117.07018	30.6
119.04945	26.1
119.08593	1.0
121.06519	1.3
123.08061	0.4
133.05209	0.5
134.06032	1.3
134.09706	0.6
135.08083	0.5
136.05196	3.8
137.05975	3.2
145.06494	21.9
146.07191	0.7
147.04427	0.8
148.07587	0.5
149.05983	5.8
149.09654	0.8
151.07544	76.0
152.07925	0.7
155.06026	0.7
161.04765	1.0
162.06729	1.5
162.09167	2.1
165.05484	2.8
165.09122	1.3
166.08656	1.0
176.07077	7.7
177.05728	2.3
177.09108	51.5
178.09557	0.4
179.05762	1.7
194.08130	100.0
194.11774	36.6
195.08492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02353	0.7
53.03941	2.5
55.01874	6.2
55.05265	1.1
55.05518	20.3
57.03439	2.8
57.07068	2.0
57.18643	0.7
59.05001	1.5
65.03939	1.6
66.04737	1.0
67.05511	13.2
69.03427	2.3
69.07075	11.6
71.04996	2.7
71.40553	1.5
77.03922	1.1
79.05498	20.0
81.03422	1.5
81.07061	33.6
83.04990	27.6
83.08644	4.1
85.06536	2.6
88.72645	0.7
89.03897	1.1
90.04717	0.8
91.05486	19.9
93.07052	19.2
94.04214	1.0
95.04391	0.9
95.04967	5.3
95.08617	28.1
97.02908	1.6
97.06535	3.7
99.08124	1.0
103.05484	15.0
104.06242	1.4
105.03414	1.0
105.07038	100.0
106.07352	1.1
107.04970	1.9
107.08598	20.2
109.06529	8.5
109.10165	23.2
109.10917	1.1
111.08076	3.8
115.05466	20.3
117.07040	8.8
118.04183	9.4
119.04951	2.9
119.08587	39.4
120.08929	0.7
121.02879	2.7
121.06485	2.6
121.10141	9.5
122.03688	4.4
123.08088	7.0
123.11700	6.3
125.09662	1.0
131.04898	3.4
131.08575	2.1
132.05760	1.2
133.02855	24.4
133.06502	71.0
133.10141	31.6
134.03368	0.8
134.06850	1.1
134.10564	1.0
135.04460	0.8
135.08063	9.7
135.11705	17.3
135.48444	0.7
137.06003	9.6
137.09619	10.2
139.07562	1.9
143.04982	1.1
143.06064	5.4
145.06493	5.8
145.10144	1.7
146.07150	0.7
146.97438	0.9
147.04414	3.1
147.08069	2.5
147.11719	10.7
149.02351	1.2
149.05963	4.5
149.09628	1.0
149.13278	5.4
150.03157	4.4
150.06638	1.6
151.07555	5.6
151.11134	4.1
151.14867	0.8
161.05995	75.2
162.06491	2.3
163.07533	5.5
163.14865	1.7
165.05556	4.9
165.06810	0.9
165.07692	0.6
165.09102	4.0
165.12918	0.7
165.16408	1.1
175.07614	1.3
175.11229	5.1
175.14844	33.7
177.09122	13.4
178.02629	18.5
178.05870	5.7
178.08200	4.9
178.09927	5.8
193.04997	65.5
193.06799	3.8
193.08553	17.2
193.10504	13.1
193.12277	11.0
193.15901	29.4
193.17378	0.6
194.05350	1.0
194.11790	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03948	2.7
55.05520	16.8
57.03435	3.9
57.07067	4.7
59.05011	3.0
67.05502	19.6
69.03420	7.7
69.07073	23.0
70.70441	3.7
70.70812	3.7
71.04980	3.7
79.05501	13.9
80.61565	1.7
81.07063	42.3
81.84832	1.9
83.04980	13.2
83.08614	8.2
85.06551	5.1
91.05491	20.0
93.07053	34.8
95.04964	3.1
95.08613	62.0
97.06515	6.8
97.10227	2.0
105.07039	51.7
107.08601	47.3
109.06524	11.0
109.10160	57.3
111.08073	5.5
117.07030	2.1
119.08587	100.0
121.10149	32.0
123.08083	20.4
123.11722	10.5
125.09657	2.4
131.08539	5.0
133.06480	4.7
133.10139	86.3
134.49277	2.5
135.11699	55.6
137.09631	20.3
145.10150	4.2
146.10971	1.6
147.11681	18.1
149.06100	1.9
149.13257	16.6
151.11188	4.4
151.14809	2.8
160.12498	3.0
161.06024	2.8
163.14839	2.7
165.12785	2.3
165.16368	2.3
175.14839	97.3
193.05026	2.1
193.08701	3.2
193.10289	5.4
193.15895	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03942	3.4
55.05517	19.0
57.07063	3.2
59.04968	2.7
65.03933	4.5
66.32204	2.1
67.05508	25.4
69.03437	4.5
69.07076	26.9
70.46761	9.1
71.04989	9.3
79.05515	20.3
79.53908	2.8
81.07067	44.1
83.04990	23.8
83.08623	4.6
85.06556	5.8
89.14878	2.2
90.31353	2.2
91.05495	21.7
93.07056	45.8
95.04970	8.7
95.08611	58.5
97.02930	3.6
97.06538	4.5
99.08074	5.9
103.05479	4.2
105.06387	4.2
105.07044	62.2
107.08607	52.7
109.06535	11.1
109.10169	41.9
111.08089	8.7
115.05473	6.3
118.04227	2.2
119.08593	74.4
121.02877	3.2
121.10154	19.7
122.03705	3.4
123.08053	22.7
123.11694	12.9
128.27371	2.1
131.08592	4.4
133.02856	18.8
133.06529	19.0
133.10144	100.0
135.11707	69.5
137.06004	4.7
137.09630	23.2
138.10379	3.8
147.04413	3.7
147.08018	4.9
147.11693	17.1
149.02324	10.4
149.13281	6.4
150.03027	2.9
150.08745	3.3
151.11194	3.7
151.14873	3.9
155.72870	2.7
156.56526	2.4
161.06013	21.8
165.05560	5.4
165.07021	23.2
165.09163	5.9
175.07492	3.6
175.11310	2.7
175.14845	89.3
177.07887	2.9
178.02634	8.8
178.06653	2.9
178.08148	24.8
193.04999	46.5
193.06589	10.0
193.08603	14.5
193.10414	57.2
193.12274	5.6
193.14211	5.2
193.15910	83.6
194.07175	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03954	2.3
54.03434	1.1
54.04999	1.0
55.05514	14.1
56.32022	1.1
57.03427	3.7
57.07075	2.9
59.05006	2.9
65.03939	1.1
67.05511	16.8
69.03440	3.3
69.07072	19.5
70.88451	1.5
70.88789	2.4
71.04982	4.2
79.05498	14.0
81.07066	41.0
83.04977	6.6
83.08617	6.7
85.06548	3.1
85.84531	1.2
91.05490	18.4
93.07052	28.3
95.04987	2.9
95.08615	43.2
97.06532	4.0
97.10181	1.6
103.05479	1.1
105.07042	55.9
106.07291	1.1
107.08605	36.6
108.34634	1.1
109.06529	5.7
109.10162	27.9
111.08082	3.8
115.05489	2.0
117.07015	3.0
119.08594	99.3
120.08903	1.4
121.10152	19.6
123.08081	8.8
123.11722	8.9
131.08563	5.9
133.02814	2.0
133.06532	8.6
133.10146	78.0
134.82378	1.1
135.11720	23.8
137.09639	13.9
145.10101	3.0
146.10921	2.6
147.11708	19.2
149.13258	13.8
151.11177	1.1
151.14819	1.9
152.85793	1.1
160.12521	2.1
161.05981	8.4
175.14845	100.0
176.15308	2.2
178.02654	1.4
178.07893	1.7
193.04976	4.1
193.08629	3.0
193.10489	4.0
193.15901	61.0
193.62895	1.1
194.16280	1.8
196.96529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01867	3.0
55.05516	18.1
57.07064	5.7
59.05002	2.9
64.70058	1.8
65.03941	3.4
67.05507	22.9
69.03427	7.7
69.06777	2.0
69.07072	23.1
70.02445	9.4
71.04984	5.7
79.05489	18.7
81.03458	2.0
81.07063	38.2
83.04984	14.0
83.08626	10.5
83.09058	2.0
85.06519	4.4
86.71507	2.4
91.05504	14.8
93.07052	37.1
95.04992	14.9
95.08614	64.5
97.06547	10.3
97.10192	5.1
99.08083	5.1
103.05469	5.0
105.07034	53.5
107.08598	48.0
107.87878	2.1
109.06525	30.8
109.09454	3.5
109.10162	40.6
111.08083	8.9
115.05441	3.6
118.04220	3.2
118.05247	2.3
119.08588	57.7
121.10151	18.8
123.08078	24.0
123.11712	20.2
125.09640	3.0
131.05020	2.2
133.02855	3.1
133.06516	19.9
133.10143	44.0
135.11708	49.2
137.09610	25.2
147.10689	2.5
147.11696	13.8
149.13268	22.7
151.11200	9.0
151.14828	5.7
161.06032	13.1
165.05638	2.5
165.07045	4.6
175.11328	2.3
175.14839	73.0
178.08156	6.2
180.00323	2.4
190.85834	2.0
193.04950	7.4
193.06937	3.1
193.08611	18.6
193.10452	11.4
193.12212	4.8
193.15909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.16514	1.7
55.01862	3.0
55.05519	20.0
57.03436	2.9
57.07071	4.1
57.79195	1.4
59.05003	1.9
60.80267	1.6
67.05179	1.9
67.05514	26.7
69.03418	6.4
69.07072	21.7
70.60392	4.9
71.04994	6.3
79.05495	12.4
81.07066	46.3
83.04990	16.9
83.08611	8.7
85.06541	6.8
87.95765	1.8
91.05502	13.5
93.07054	36.3
95.04984	10.7
95.08617	58.9
97.06544	5.2
97.10181	6.2
99.08097	7.1
99.82895	1.6
105.07046	39.6
107.08609	41.4
109.06536	27.2
109.10165	43.4
111.08089	8.0
117.06989	3.5
119.08601	77.8
121.10157	17.9
123.08092	20.0
123.11726	15.6
125.09588	2.4
131.08559	3.6
133.02867	13.3
133.06494	5.0
133.10144	60.3
135.11713	41.0
137.05975	4.9
137.09633	23.9
147.11696	16.5
149.05933	2.6
149.13271	21.6
151.11237	9.4
151.14839	3.3
160.12560	1.7
160.55858	1.6
161.05981	2.1
165.07036	5.9
175.14844	79.2
178.02646	5.1
178.08192	8.3
193.04987	30.4
193.06573	2.9
193.08749	3.4
193.10565	11.9
193.15909	100.0
194.07272	5.3
194.16315	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	3.4
55.01867	3.0
55.05516	18.1
57.07064	5.7
59.05002	2.9
64.70058	1.8
65.03941	3.4
67.05507	22.9
69.03427	7.7
69.06777	2.0
69.07072	23.1
70.02445	9.4
71.04984	5.7
79.05489	18.7
81.03458	2.0
81.07063	38.2
83.04984	14.0
83.08626	10.5
83.09058	2.0
85.06519	4.4
86.71507	2.4
91.05504	14.8
93.07052	37.1
95.04992	14.9
95.08614	64.5
97.06547	10.3
97.10192	5.1
99.08083	5.1
103.05469	5.0
105.07034	53.5
107.08598	48.0
107.87878	2.1
109.06525	30.8
109.09454	3.5
109.10162	40.6
111.08083	8.9
115.05441	3.6
118.04220	3.2
118.05247	2.3
119.08588	57.7
121.10151	18.8
123.08078	24.0
123.11712	20.2
125.09640	3.0
131.05020	2.2
133.02855	3.1
133.06516	19.9
133.10143	44.0
135.11708	49.2
137.09610	25.2
147.10689	2.5
147.11696	13.8
149.13268	22.7
151.11200	9.0
151.14828	5.7
161.06032	13.1
165.05638	2.5
165.07045	4.6
175.11328	2.3
175.14839	73.0
178.08156	6.2
180.00323	2.4
190.85834	2.0
193.04950	7.4
193.06937	3.1
193.08611	18.6
193.10452	11.4
193.12212	4.8
193.15909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
50.40711	0.9
51.28224	0.7
52.82362	0.8
53.03947	4.8
55.01883	8.3
55.04532	0.9
55.05516	5.8
57.03441	4.8
57.07067	3.0
64.89063	1.0
65.03941	2.6
66.04725	6.4
67.05508	14.5
68.02652	1.1
69.03426	2.5
69.07075	8.0
71.04983	2.8
71.47246	0.8
75.04480	1.1
77.03928	1.3
78.04718	1.8
79.05499	39.8
81.03409	4.1
81.07062	31.0
83.05003	4.4
83.08621	3.7
85.02902	1.1
85.06540	2.0
89.03902	2.0
90.04690	4.7
91.05487	35.5
92.06274	3.3
93.07034	13.3
94.00195	0.9
94.04210	2.4
95.04986	12.2
95.08613	25.1
97.06519	1.8
97.10161	1.7
103.04787	2.1
103.05473	37.1
104.06231	3.3
105.03409	1.8
105.07039	95.6
107.04298	1.2
107.04971	15.4
107.08609	11.2
108.05736	2.8
109.02898	8.3
109.06525	9.3
109.10165	25.6
115.05457	13.1
117.06997	2.5
118.04170	71.7
119.04976	9.3
119.08587	16.0
120.05741	7.6
121.06511	14.7
121.10143	4.3
122.03644	2.3
122.07288	8.8
123.04440	1.9
123.08105	6.5
123.11728	10.2
124.05224	21.8
125.06013	1.1
129.07034	1.3
129.82190	0.9
131.04909	5.9
131.08542	1.3
131.70537	1.0
132.05746	5.5
133.02893	5.2
133.06502	100.0
133.10132	15.8
134.07315	10.8
135.04422	11.9
135.08073	16.7
135.11723	9.0
137.05994	8.2
137.09612	5.2
137.13255	4.6
143.06067	2.1
146.97444	3.2
147.04416	6.5
147.08052	2.1
147.11697	15.7
148.05194	2.9
149.02394	1.5
149.05992	6.3
149.13292	2.1
150.06767	31.8
151.03951	1.6
151.07558	11.4
151.11160	2.3
152.04810	1.0
157.10118	1.7
160.05183	2.1
161.04649	2.4
161.05992	37.3
162.06783	12.2
163.07550	3.5
165.05472	2.1
165.06987	1.9
165.09122	33.8
165.12794	1.4
166.08568	1.4
169.99051	1.2
175.07607	4.8
175.11229	5.0
175.14830	9.1
178.02650	2.6
178.06238	2.5
178.07794	22.9
179.08418	0.9
193.05017	11.7
193.06586	1.6
193.08594	37.2
193.10208	41.2
193.12236	9.1
193.15869	12.4
193.19525	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.54037	0.9
53.03952	5.7
54.69211	1.1
55.01871	7.1
55.05503	2.3
57.03431	2.3
61.41141	0.9
65.03927	1.6
66.04718	5.0
67.05496	4.5
69.03425	2.8
69.07063	2.2
71.04983	3.1
71.17065	2.3
71.17408	1.3
75.04459	1.1
78.04698	1.4
79.05496	34.1
81.03403	2.0
81.07062	6.5
82.00179	1.1
82.36773	1.0
83.04981	1.4
83.56084	0.9
85.02917	1.3
89.03916	1.5
90.04711	5.9
91.05486	24.5
91.06016	2.1
92.06271	2.4
93.07060	7.6
95.04971	7.9
95.08628	5.1
99.04481	2.5
102.04670	1.3
103.05473	28.4
104.06245	3.6
105.07037	93.6
106.07393	1.1
107.04953	10.2
107.08599	8.7
108.05727	2.9
109.02885	7.3
109.06540	7.4
109.10150	3.5
111.08072	2.1
115.05466	15.0
117.07006	3.0
118.04169	57.4
119.04965	8.9
119.08578	7.6
120.05723	4.9
121.06499	12.0
121.10164	2.4
122.07286	5.5
123.04401	1.7
123.08089	3.5
123.11712	1.3
124.05208	17.5
129.07111	1.1
130.04102	1.1
131.04929	4.6
131.08565	1.3
132.05690	4.0
133.02908	1.7
133.06499	100.0
133.10136	8.2
134.07323	6.5
135.04428	8.9
135.08067	17.7
135.11713	6.0
137.05986	6.9
137.09619	2.7
143.06049	3.5
146.03612	1.5
147.04411	4.8
147.08102	1.2
147.11694	7.7
148.05203	1.6
149.05994	3.5
149.09612	1.7
149.13205	1.1
150.06770	25.2
151.07570	9.0
151.11177	2.8
157.10130	1.3
161.05998	53.8
162.06816	5.1
163.07556	2.2
165.06937	1.2
165.09119	24.3
175.07568	2.5
175.11180	3.4
175.14825	4.0
178.02682	1.2
178.06299	1.9
178.07813	9.9
192.09378	1.2
193.05038	5.8
193.08600	27.9
193.10207	23.7
193.12257	13.7
193.15932	6.0
194.09395	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	2.9
55.01867	2.9
55.05519	39.7
57.07069	2.6
59.05001	1.0
65.03960	1.3
67.05177	1.5
67.05509	19.8
69.03426	2.2
69.06728	1.2
69.07079	20.8
70.35928	3.3
71.04988	3.8
79.05505	17.3
81.06579	1.9
81.07065	47.7
83.04990	100.0
83.08611	3.7
85.06566	2.3
91.05488	6.0
91.22651	1.0
93.07060	15.1
95.04961	4.8
95.08054	1.6
95.08620	22.1
97.06535	3.1
105.07040	14.4
107.08605	22.7
109.06525	13.0
109.10165	29.3
111.08092	8.6
111.11713	2.8
119.08595	20.9
121.10175	8.6
123.08089	11.8
123.11735	6.7
123.81420	1.0
125.09699	1.3
133.06479	4.3
133.09238	1.8
133.10152	21.3
135.11705	22.0
137.09625	16.6
143.06050	1.1
147.11671	3.5
149.13249	3.0
151.11209	2.3
161.06004	5.7
175.14844	18.5
193.15904	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03941	2.6
53.16514	1.7
55.01862	3.0
55.05519	20.0
57.03436	2.9
57.07071	4.1
57.79195	1.4
59.05003	1.9
60.80267	1.6
67.05179	1.9
67.05514	26.7
69.03418	6.4
69.07072	21.7
70.60392	4.9
71.04994	6.3
79.05495	12.4
81.07066	46.3
83.04990	16.9
83.08611	8.7
85.06541	6.8
87.95765	1.8
91.05502	13.5
93.07054	36.3
95.04984	10.7
95.08617	58.9
97.06544	5.2
97.10181	6.2
99.08097	7.1
99.82895	1.6
105.07046	39.6
107.08609	41.4
109.06536	27.2
109.10165	43.4
111.08089	8.0
117.06989	3.5
119.08601	77.8
121.10157	17.9
123.08092	20.0
123.11726	15.6
125.09588	2.4
131.08559	3.6
133.02867	13.3
133.06494	5.0
133.10144	60.3
135.11713	41.0
137.05975	4.9
137.09633	23.9
147.11696	16.5
149.05933	2.6
149.13271	21.6
151.11237	9.4
151.14839	3.3
160.12560	1.7
160.55858	1.6
161.05981	2.1
165.07036	5.9
175.14844	79.2
178.02646	5.1
178.08192	8.3
193.04987	30.4
193.06573	2.9
193.08749	3.4
193.10565	11.9
193.15909	100.0
194.07272	5.3
194.16315	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.99929	0.7
53.03945	1.8
53.72337	0.6
55.01874	100.0
55.05517	6.2
55.11345	0.6
56.96550	0.8
57.03424	1.6
57.07085	0.8
65.03947	1.7
65.70782	0.8
67.05501	8.8
69.03445	3.6
69.07063	3.3
70.54498	1.2
70.54834	1.5
71.04986	0.8
73.19257	0.7
75.04492	0.8
77.31420	0.8
79.05496	13.7
81.03411	1.7
81.07059	11.1
83.04984	1.8
83.08656	1.2
85.06548	1.5
88.13982	0.7
89.03926	0.7
90.04718	1.3
91.05479	12.7
93.07045	10.1
94.04196	0.9
95.04980	7.6
95.08606	11.2
96.15128	0.6
97.06561	1.1
99.08084	2.7
102.04703	1.0
103.05476	19.7
103.19767	0.6
104.06264	2.2
105.04556	0.7
105.07034	43.7
106.07378	0.7
107.04964	5.8
107.08600	6.8
109.02898	1.6
109.06513	6.4
109.10155	7.9
111.04453	1.6
111.08090	1.1
115.05459	9.1
117.06988	1.5
118.04171	10.1
119.04969	2.7
119.08585	16.5
120.05787	1.8
121.02917	1.1
121.06506	6.7
121.10129	4.4
122.03647	4.8
123.04458	2.6
123.08056	4.1
123.11736	1.5
124.05146	0.9
125.05997	2.3
127.07548	0.6
130.04163	3.1
131.04932	15.5
131.08597	1.9
132.05704	15.7
133.02884	2.6
133.06497	45.2
133.10136	13.8
134.03668	0.9
134.07248	2.1
135.04419	6.7
135.08052	3.3
135.11699	4.2
137.05972	15.2
137.09621	4.3
143.05011	1.1
143.06064	2.2
146.03670	1.5
147.04427	11.8
147.08075	2.3
147.11690	8.9
148.05173	2.6
149.05992	8.4
149.13286	2.3
150.06769	11.6
151.03937	3.8
151.07562	5.1
151.11221	1.9
157.10121	1.2
160.05215	16.9
161.05988	60.7
162.06772	20.6
163.03952	1.0
163.07492	1.7
164.08299	1.4
165.05539	4.9
165.06848	1.0
165.09119	6.2
175.07550	39.7
175.11195	3.1
175.14822	13.7
177.05481	3.3
178.02637	1.7
178.06279	4.4
178.08005	3.1
187.39372	0.8
190.07471	0.8
193.04997	7.8
193.08623	70.5
193.10300	5.7
193.12317	4.5
193.15909	9.6
194.08972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
53.38063	0.2
58.44062	0.3
62.47814	0.3
71.35678	0.3
99.18900	0.2
146.06018	0.4
148.07590	2.6
149.08372	7.6
151.07596	0.4
176.07069	1.0
177.07857	53.9
178.08223	0.6
192.10197	100.0
193.10594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03940	0.5
55.01856	0.7
55.05503	1.0
59.04999	0.6
66.04732	0.3
67.05497	1.5
69.07060	0.9
70.12067	0.8
70.12444	0.8
77.03952	0.8
79.05488	4.2
81.03400	0.6
81.07056	2.4
83.04967	1.2
83.08642	0.5
85.06541	0.8
89.03903	0.7
91.05483	3.5
93.07053	2.3
94.04200	1.2
95.04964	1.3
95.08614	2.2
97.02888	1.2
103.05470	3.3
105.03387	1.4
105.07037	21.2
107.04970	0.8
107.08608	2.9
109.06554	1.8
109.10160	2.2
110.69707	0.3
115.05467	4.2
117.03370	0.8
117.07013	0.8
118.04148	2.1
119.04961	1.1
119.08591	4.0
121.02888	0.4
121.06492	1.1
121.10141	1.3
122.03668	5.4
123.08057	0.9
123.11674	0.8
125.02255	0.5
131.04913	0.9
131.08524	0.7
132.05679	0.8
133.02858	39.7
133.06496	16.1
133.09219	0.5
133.10121	3.5
134.03352	0.3
135.04451	0.4
135.08072	0.9
135.11708	3.4
137.05984	11.6
137.09618	1.2
143.05040	0.4
143.06030	1.4
145.06541	0.4
146.97443	0.4
147.04419	0.7
147.08072	1.0
147.11699	1.7
149.02179	0.3
149.06010	2.8
150.03130	4.0
150.06715	0.7
151.03806	0.3
151.07579	0.5
151.11174	0.6
151.14832	0.4
160.05208	0.5
160.08824	0.6
161.02400	0.9
161.05992	17.1
163.07520	1.7
164.08231	0.3
165.05502	4.2
165.06859	0.7
165.09157	0.9
165.12741	0.3
165.23067	0.3
175.03943	0.4
175.07567	0.5
175.11183	1.2
175.14865	2.5
177.09184	0.7
178.02621	26.1
178.08072	2.1
178.09903	1.9
179.02866	0.4
193.04974	100.0
193.08606	5.8
193.10472	3.9
193.12256	3.1
193.15878	2.8
194.05331	1.6
194.11792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03946	2.1
54.60753	0.4
55.01882	3.7
55.05522	3.1
57.03440	0.8
59.04987	0.8
65.03953	0.7
65.12938	0.5
66.04729	0.7
67.05511	3.8
68.99776	0.6
69.03435	1.6
69.07064	2.3
70.01295	0.5
71.01052	1.0
71.04981	1.2
71.98606	0.6
77.03976	0.6
79.05496	14.6
81.03417	0.7
81.07064	7.7
83.04985	1.7
83.08611	0.8
85.06539	0.9
89.03918	0.9
90.04709	1.6
91.04959	0.9
91.05492	9.6
93.02887	0.5
93.07044	5.8
95.04987	3.7
95.08611	7.0
97.02870	0.9
97.06555	1.4
99.08109	0.7
99.38477	0.5
103.05473	13.8
105.03410	1.2
105.07037	100.0
106.07359	0.9
107.04967	1.5
107.08604	6.2
109.06551	2.6
109.10163	5.0
111.08086	0.8
115.05465	20.0
117.07043	2.8
118.04175	8.8
119.04942	2.3
119.08588	11.8
121.02857	0.7
121.06519	2.0
121.10140	2.7
122.03678	1.6
123.08066	1.9
123.11708	1.6
129.06993	0.7
131.04947	4.1
131.08588	1.0
132.05684	1.2
133.02866	15.3
133.06500	82.0
133.10117	8.7
134.06795	0.9
135.08058	1.2
135.11676	5.6
137.05974	5.7
137.09619	1.9
143.04941	1.5
143.06056	6.0
145.06506	1.7
147.04416	1.3
147.08066	1.5
147.11716	4.1
149.06000	3.5
149.13228	1.7
150.03120	2.4
150.06445	1.6
151.07597	1.0
151.11195	1.1
160.05211	0.7
161.05994	88.2
162.06407	2.8
163.07603	1.9
165.05489	2.4
165.07365	0.5
165.09155	1.9
175.03781	0.7
175.07512	0.6
175.11195	2.8
175.14848	11.9
177.05531	0.6
177.09151	3.3
178.02617	12.1
178.05818	7.3
178.08180	2.4
178.09911	2.9
193.04984	39.6
193.08539	16.8
193.10493	5.9
193.12288	5.2
193.15900	7.8
194.05296	0.9
194.11794	2.5
195.40298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1019
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
52.68959	0.1
53.69717	0.1
56.15407	0.2
60.10943	0.1
69.07108	0.1
70.54162	0.4
70.54521	0.2
77.27219	0.1
81.07036	0.1
83.05014	0.2
91.05489	0.2
95.61999	0.1
121.08839	0.2
134.06053	0.3
135.11745	0.1
148.07587	3.6
149.08377	9.1
151.07553	0.3
160.07578	0.5
164.10669	0.2
176.07082	1.3
177.07867	63.0
178.08221	0.8
192.10208	100.0
193.10526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
65.72030	0.2
70.68184	0.4
70.68566	0.5
72.74365	0.3
74.97485	0.3
84.12157	0.2
106.06575	0.7
131.03166	0.2
132.08148	0.4
148.07571	2.6
149.08383	6.8
150.96942	0.4
153.85788	0.2
176.07060	0.7
177.07869	49.4
178.08177	1.0
192.10208	100.0
193.10516	1.9
213.82903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03936	1.7
55.01855	1.0
55.05256	1.6
55.05508	16.6
57.07067	7.4
59.99129	0.9
63.93810	0.9
65.03937	1.7
65.31545	1.0
67.05167	1.5
67.05505	20.2
67.05853	0.8
69.03421	2.7
69.07067	41.8
70.96788	2.7
71.04980	1.1
76.42207	1.0
79.05495	19.7
81.06585	1.3
81.07061	23.3
83.04971	1.5
83.08615	17.1
91.05482	14.2
93.07046	56.6
95.04953	3.3
95.08607	71.1
96.08887	1.2
97.10173	8.2
103.05460	2.4
105.07024	13.8
107.04937	2.0
107.08598	69.3
108.08922	1.7
109.06490	2.1
109.10157	66.6
110.10506	1.3
115.05502	1.6
117.07009	4.5
118.04242	0.9
119.08594	6.8
121.06522	8.9
121.10144	74.6
122.10527	1.7
123.08061	1.2
123.11713	8.2
131.04970	1.2
131.08612	6.7
133.06477	1.8
133.07600	0.9
133.10130	8.8
135.04424	1.8
135.08073	6.7
135.11691	89.4
136.12082	1.3
137.06076	1.0
137.29199	0.9
143.08545	1.2
145.06461	2.6
145.10133	14.0
147.08038	1.7
147.11687	5.2
148.12456	3.7
148.15601	1.1
149.05894	1.3
149.08464	1.3
149.09634	3.5
149.13258	45.1
149.73477	1.0
150.02704	1.4
158.10962	1.6
163.07550	2.0
163.11125	1.2
163.14833	3.9
172.48743	1.0
173.09598	2.1
173.13243	6.6
176.04721	1.2
176.11819	1.2
177.07846	5.5
191.05537	1.0
191.07053	4.0
191.09006	1.8
191.10635	7.3
191.14330	25.2
191.17947	100.0
192.10167	9.1
192.18266	2.8
213.15294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.05270	1.9
55.05515	29.5
57.07063	4.2
65.03949	1.2
67.05506	29.7
69.06728	1.6
69.07073	24.2
70.07299	2.9
70.07688	2.4
77.29212	1.2
79.05495	32.8
81.07062	60.2
83.04964	1.5
83.08615	17.0
91.05470	17.1
93.07047	66.4
95.04949	2.1
95.08610	100.0
97.10170	15.7
98.20773	2.0
102.04707	1.2
103.05476	9.6
105.07040	18.4
107.08598	79.2
109.06503	2.9
109.10160	63.3
111.11728	3.2
115.05464	2.0
117.07011	6.0
118.04185	3.6
119.08569	6.2
121.06525	2.4
121.10152	71.4
123.11721	10.4
130.04166	1.5
130.07765	4.7
131.04947	5.7
131.08540	5.8
133.02856	1.6
133.06429	1.1
133.10136	8.4
135.08067	16.5
135.11696	82.3
143.08527	2.7
145.10126	29.2
147.08022	1.3
147.11664	2.2
148.05173	4.6
149.05992	1.6
149.09619	2.4
149.13245	17.2
163.07523	4.0
163.11259	2.3
163.14853	3.5
173.09676	4.3
173.13234	3.4
176.04639	3.4
191.07060	8.4
191.10701	8.9
191.14334	21.9
191.17960	75.9
192.10139	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.38629	0.8
53.03946	2.3
55.05264	1.1
55.05511	18.2
57.07064	3.2
65.03947	1.6
67.05508	24.7
68.94013	0.7
69.07071	19.7
71.08603	1.4
71.55555	0.8
71.56002	1.0
79.05495	31.2
81.07060	51.0
83.08621	9.5
91.05480	15.6
93.07050	52.7
95.04966	3.4
95.08611	59.8
96.08947	1.1
97.10185	6.5
103.05487	2.0
105.07040	12.7
107.04994	1.7
107.08597	56.8
109.06519	2.0
109.10159	52.2
111.11709	1.7
117.07012	3.1
119.06056	0.9
119.08550	4.7
121.06510	17.6
121.10151	36.0
122.07275	1.5
123.11711	4.5
129.06999	1.0
130.07787	1.5
131.04994	0.8
131.08568	4.7
133.10155	4.9
135.04388	0.9
135.08144	3.7
135.11697	100.0
145.06480	2.4
145.10126	9.2
147.08044	1.2
147.11691	2.6
148.08801	1.2
149.05920	1.3
149.09615	2.5
149.13260	11.5
158.11012	1.0
161.13261	0.9
163.11194	1.1
163.14789	1.4
173.09608	3.1
173.13275	2.7
177.07913	1.2
191.07031	2.3
191.10715	8.2
191.14319	73.5
191.17953	47.9
192.10307	1.2
192.14674	1.7
192.18341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.34194	1.0
51.69008	1.0
53.03933	2.9
55.05516	35.7
57.07065	4.5
58.82476	1.0
65.03935	1.6
67.05512	35.1
69.03445	2.3
69.06728	1.5
69.07076	28.8
70.91421	2.9
71.08628	1.3
79.05069	1.9
79.05501	33.9
81.07066	73.3
83.04988	2.3
83.08624	18.0
88.18307	1.1
91.05486	14.4
93.07056	81.6
94.07363	1.4
95.04957	2.7
95.08615	100.0
97.10181	16.1
103.05459	3.9
105.07042	9.9
107.08604	76.3
109.06499	1.6
109.10168	70.2
111.11723	3.4
115.05518	1.4
117.07041	1.5
119.08579	4.7
121.06536	2.9
121.10151	78.7
123.11725	12.2
131.04922	3.4
131.08557	2.7
133.10121	4.2
135.08087	11.8
135.11707	95.9
145.10133	4.7
147.11694	2.9
148.05164	2.8
149.09624	2.3
149.12184	2.2
149.13281	26.9
158.10918	1.5
163.07539	2.6
163.14824	4.7
168.66206	1.1
173.13307	4.0
176.04695	1.6
176.12071	1.5
191.07042	3.7
191.09044	1.0
191.10727	4.0
191.14342	24.9
191.17961	83.1
192.10191	4.6
192.18356	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03940	3.0
55.05515	36.1
57.07082	5.5
65.03934	1.9
66.99086	1.0
67.05509	28.8
69.03424	1.9
69.07073	37.4
70.81445	2.4
70.81777	1.9
74.59001	1.1
79.05055	2.1
79.05495	26.2
81.07064	54.6
82.01115	1.0
83.04976	1.5
83.08630	24.8
91.05492	18.4
93.07053	78.4
95.04961	4.2
95.08614	95.0
97.10180	18.3
103.05458	4.0
105.07034	22.2
107.08602	92.7
109.06531	3.1
109.10165	65.0
110.10522	1.3
111.11726	4.0
112.62115	1.0
115.05452	2.0
117.07030	4.7
118.04161	1.7
119.08615	7.9
121.06506	3.1
121.10155	100.0
123.11716	10.2
130.07799	1.0
131.04941	3.7
131.08592	7.8
133.10129	9.8
135.08067	8.8
135.11702	97.8
143.08542	2.1
144.51868	1.0
145.10127	11.9
147.11649	3.0
148.05177	3.0
149.09639	2.0
149.13271	24.1
158.10988	1.4
162.10484	1.0
163.07550	4.4
163.11259	1.2
163.14850	4.1
173.09584	3.7
173.11906	1.3
173.13271	9.1
176.04756	1.6
177.07755	1.3
191.07063	5.8
191.10753	5.9
191.12624	2.0
191.14348	25.8
191.17958	85.9
192.10101	1.7
192.18456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.05513	33.3
57.07077	6.8
63.21012	1.0
65.03942	1.8
67.05508	32.0
69.03429	2.8
69.07073	37.9
71.01165	2.1
71.04994	1.9
71.59755	0.9
74.22792	1.0
79.05493	31.0
81.03418	1.3
81.07062	60.4
83.04987	2.5
83.08621	21.5
89.03863	1.2
91.05484	19.5
93.07049	83.2
95.04948	6.1
95.08610	94.3
97.06499	2.7
97.10176	16.7
102.04677	1.2
103.05466	9.0
105.07035	22.5
107.04951	2.3
107.08597	88.8
109.06530	4.6
109.10159	67.8
110.10462	1.0
111.11725	4.4
115.05453	2.0
116.06174	1.2
117.07058	6.2
118.04142	2.8
118.06544	1.1
119.04968	1.4
119.08574	9.5
121.06512	5.4
121.10149	99.3
123.08086	1.7
123.11718	13.3
129.07004	2.1
130.04134	3.0
130.07765	2.2
130.99081	1.1
131.04953	6.7
131.08582	12.3
133.02846	2.3
133.06549	1.3
133.10144	14.2
135.08098	11.1
135.11699	100.0
136.12042	1.6
143.08556	1.7
145.06506	2.1
145.10120	14.3
147.08037	1.4
147.11691	4.9
148.05196	5.3
149.05998	1.6
149.09604	5.1
149.13264	27.9
158.07352	1.3
158.10963	2.5
163.07581	9.4
163.11229	2.1
163.14807	4.8
173.09642	4.5
173.13251	9.7
176.04730	2.3
176.08411	1.1
176.11961	1.6
177.07855	3.4
190.07758	1.4
191.07066	9.2
191.08636	2.7
191.10640	9.7
191.14334	40.4
191.17953	94.2
192.10243	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03948	1.1
55.05262	1.5
55.05513	19.8
57.07068	6.0
65.03958	1.0
67.05511	14.6
69.03431	2.6
69.06724	1.7
69.07073	21.6
70.84492	1.2
70.84837	2.0
70.96280	0.8
71.05002	1.0
74.20827	0.8
74.76733	0.8
79.05503	13.4
81.07065	24.5
83.04987	1.6
83.08625	15.7
88.19878	0.9
91.05476	10.4
93.07054	41.2
95.04951	2.5
95.08611	51.7
97.10171	12.2
97.84774	1.0
103.05460	3.4
105.06367	1.6
105.07026	12.7
107.04959	2.1
107.08601	58.4
109.06539	1.9
109.10165	43.5
111.11704	1.7
117.07044	2.5
118.26601	0.8
119.04918	1.1
119.08588	6.0
121.06506	4.1
121.10150	67.0
122.07332	2.4
123.08055	2.6
123.10947	0.9
123.11742	6.4
130.07861	1.2
131.04926	1.5
131.08595	9.2
132.05714	1.5
133.06581	1.0
133.10147	6.7
135.08060	6.8
135.11702	57.2
141.37280	0.8
145.06442	1.2
145.10121	9.7
147.07994	1.1
147.11713	2.5
148.05162	2.2
148.08852	1.2
149.09622	4.4
149.13255	13.5
159.08032	1.0
161.09637	11.5
162.06737	1.1
163.07591	3.4
163.11159	1.8
163.14847	2.6
173.09662	2.1
173.13312	5.0
175.11189	2.0
176.04718	1.5
176.11986	8.1
177.07837	2.5
191.07011	7.2
191.10783	7.5
191.14326	100.0
191.17961	51.3
192.06520	1.3
192.10208	4.6
192.14644	2.2
197.56166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02358	1.1
53.03938	2.5
55.01883	2.8
55.05500	5.0
67.05521	8.7
69.03428	10.8
69.07070	13.3
69.63454	6.4
71.04986	5.7
79.05496	9.8
81.07060	9.8
83.04975	4.7
83.08638	2.3
85.06543	3.3
85.52982	1.1
91.05486	15.8
92.55479	1.4
93.07056	17.2
95.04971	5.0
95.08614	17.7
97.06541	7.8
101.20015	1.2
101.21472	1.2
103.05460	4.7
105.07046	19.6
107.04952	3.8
107.08611	25.7
109.06528	13.8
109.10178	10.4
111.08092	2.4
112.14452	1.1
115.05453	1.7
116.06242	2.0
117.07022	3.8
119.08591	12.6
121.06511	10.5
121.10151	20.6
123.08075	8.8
129.07002	2.4
130.07796	2.8
131.04915	2.4
131.08577	24.7
133.06448	1.3
133.10141	28.6
135.08055	22.1
135.11696	10.0
139.36023	1.2
143.08556	4.1
144.09314	1.8
145.06461	1.5
145.10143	16.1
147.08115	1.2
147.11705	11.3
148.05199	2.1
149.09631	14.3
149.13272	10.6
150.10410	1.4
158.10907	10.7
159.08078	3.5
161.09653	5.4
163.07535	3.6
163.11217	5.2
163.14833	5.0
171.11761	1.3
173.09628	1.4
173.13268	34.9
176.12083	2.7
177.07828	7.2
191.07031	5.0
191.08635	3.0
191.10742	8.7
191.14320	100.0
191.17894	3.1
192.10265	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01863	2.8
55.05514	7.0
57.03445	1.5
57.07073	1.6
65.03909	1.3
65.56777	0.9
67.05514	13.6
69.03438	7.6
69.07073	8.4
70.62530	2.9
71.04993	6.8
72.17565	0.9
79.05495	13.2
81.07060	14.2
83.04986	6.2
83.08612	4.2
85.06522	3.0
91.05482	17.0
93.07055	19.3
95.04977	9.9
95.08617	16.7
97.06533	4.0
103.05471	9.6
105.07037	23.6
107.04949	2.7
107.08604	31.7
109.06533	20.8
109.10169	43.1
115.05458	4.4
117.07021	8.6
118.04185	2.8
119.08607	10.0
120.05702	1.0
121.06513	11.9
121.10152	20.0
123.08082	7.4
123.11684	0.9
129.07019	3.3
130.07779	2.7
131.04918	5.6
131.08578	27.7
133.02882	1.4
133.06485	3.2
133.10141	28.8
135.08064	50.5
135.11684	8.9
143.08549	3.9
144.09369	1.3
145.06470	2.1
145.10144	18.1
147.08044	2.0
147.11717	5.9
148.05209	3.7
148.08849	2.7
149.09621	11.0
149.13245	8.8
150.10382	2.7
158.10892	9.6
161.09619	3.7
163.07571	7.4
163.11177	5.0
163.14828	3.4
173.05940	2.0
173.09607	3.5
173.13277	31.2
173.14690	2.0
175.11168	1.2
176.04651	3.0
176.11980	4.9
177.07858	3.9
185.74942	1.0
191.07018	10.3
191.10680	8.4
191.14325	100.0
191.17894	6.7
192.10185	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01864	1.7
55.05505	5.6
57.07078	2.0
59.22850	1.3
67.05507	12.3
69.03430	19.0
69.07063	7.7
71.04987	6.1
71.12612	3.0
74.89827	1.3
77.07894	1.5
77.25993	1.2
79.05509	12.7
81.07070	15.2
83.04978	5.6
83.08628	2.7
85.06534	3.6
91.05496	13.6
93.07052	12.7
95.04974	7.0
95.08613	10.1
97.06519	3.0
103.05498	2.3
105.07040	25.8
107.04966	5.4
107.08601	30.8
109.06530	17.4
109.09463	3.0
109.10170	40.9
115.05480	2.8
117.07036	5.3
118.07771	1.8
119.08597	12.5
121.06511	5.2
121.10155	22.1
122.07304	2.7
123.08057	6.5
129.06993	3.4
131.08589	27.2
133.10141	100.0
135.08063	39.5
135.11717	4.1
137.09624	13.8
143.08565	5.6
145.10158	12.0
147.07988	1.9
147.11688	8.2
148.08838	2.3
149.09616	9.6
149.13281	14.7
150.10303	1.9
158.10948	11.0
161.09607	2.1
163.14879	5.4
173.13283	38.2
176.11949	1.7
177.07878	1.9
191.07016	1.9
191.14320	67.2
192.10164	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	2.0
54.16066	1.4
55.01860	2.3
55.05502	6.8
59.04986	1.9
63.35054	1.3
65.03943	1.9
67.05502	16.0
67.05840	2.0
69.03438	9.1
69.07072	7.7
70.71654	4.6
71.04998	9.7
79.05484	11.3
81.07062	12.3
81.46087	1.6
82.27929	1.4
82.71349	1.3
83.04980	3.1
83.08631	2.6
84.54214	1.4
85.06547	4.2
91.05486	17.7
93.07043	12.3
95.04982	12.2
95.08614	13.9
97.06514	3.4
105.07034	24.4
107.07957	2.6
107.08602	30.1
109.06536	37.1
109.10166	78.9
115.05456	2.7
116.06177	2.5
117.07023	8.5
119.08593	10.7
121.06486	6.5
121.10152	19.0
123.08078	11.9
129.06955	4.1
131.08575	41.2
133.06609	1.6
133.10147	23.3
135.08064	77.6
135.11707	3.9
136.08865	1.8
143.08562	6.5
144.09377	2.0
144.37352	1.4
145.10159	10.5
147.08035	2.7
147.11731	8.1
148.08783	2.8
149.09621	19.1
149.13271	6.8
150.10434	4.0
158.10931	8.6
159.68390	1.4
161.09634	3.4
163.14793	3.0
173.13278	42.7
176.11980	3.2
187.25021	1.5
191.06973	2.7
191.10674	4.4
191.14322	100.0
192.10172	3.5
214.82736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28645	1.5
55.05512	9.9
57.07071	1.8
65.03912	2.5
67.05499	8.1
69.03442	13.7
69.07081	13.7
70.04880	6.3
71.04987	3.4
72.69559	1.8
79.05497	12.0
81.07063	18.1
83.04986	12.8
83.08623	3.9
85.06548	4.1
91.05485	16.8
93.07050	31.6
95.04964	6.1
95.08610	28.1
97.06532	12.3
98.20764	2.1
100.96027	1.7
102.55684	1.8
103.05454	2.6
105.07040	28.5
107.04969	19.4
107.08598	66.0
107.91914	1.8
109.06527	16.5
109.10155	7.2
111.08076	7.9
115.05511	2.0
116.06217	1.9
117.07028	4.9
119.08599	17.4
121.06526	41.6
121.10151	50.0
123.08074	16.1
123.27281	2.0
129.07010	4.9
131.08577	33.4
133.09137	2.0
133.10133	35.4
135.08060	25.5
135.11694	7.2
143.08565	5.2
144.09343	3.5
145.10152	17.2
147.11687	19.3
148.08893	2.2
149.09618	25.1
149.13268	16.6
156.09245	2.2
158.10960	9.8
161.09615	2.5
163.11205	5.0
163.14828	16.4
173.13289	45.5
176.11928	1.8
177.07840	5.1
191.07056	2.5
191.14322	100.0
192.10278	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09584	1.0
53.23257	1.2
55.05501	5.1
59.17021	1.2
63.87786	1.2
67.05502	4.2
69.03436	11.5
69.07078	7.7
70.44702	1.0
70.81843	2.0
70.82178	1.9
76.88027	1.2
77.48904	1.2
79.05499	6.8
81.07067	8.7
83.04980	11.0
83.08640	2.3
91.05501	8.6
93.07054	11.3
95.04967	2.4
95.08621	9.4
97.06526	5.0
103.05376	1.3
105.07034	12.8
107.04921	6.2
107.08601	37.2
107.75190	1.3
109.06510	7.2
109.10174	3.6
111.08078	2.3
115.05472	1.9
117.07014	2.7
119.08577	9.1
121.06490	13.2
121.10150	22.6
123.08070	7.5
129.07005	1.9
131.08568	14.6
133.10138	17.3
135.08083	13.5
135.11703	4.3
143.08609	2.1
144.09242	1.2
145.10143	6.8
147.08073	1.5
147.11684	9.0
148.08844	1.6
149.08522	1.8
149.09622	12.5
149.13275	9.3
158.10939	7.2
161.09630	3.0
163.11191	2.3
163.14833	6.1
173.13289	20.7
176.12067	1.8
177.07855	5.3
191.14316	100.0
192.10252	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	0.5
55.01860	0.4
55.05515	2.3
57.03440	0.5
57.07063	0.8
59.05017	0.4
67.05510	1.5
67.52006	0.3
69.03432	10.2
69.07068	3.7
71.04969	0.6
71.48117	0.5
79.05495	2.5
80.48171	0.3
81.07045	1.3
82.71652	0.3
83.04987	7.8
83.08617	1.3
85.06544	0.5
91.05486	3.4
93.07043	3.2
95.04948	0.9
95.08620	2.4
97.06516	1.4
105.07029	5.0
107.04965	0.8
107.08598	15.0
109.06514	1.8
109.10101	0.8
111.08077	0.4
117.07014	1.0
119.08598	3.6
121.06505	3.7
121.09317	0.5
121.10149	8.8
123.08082	1.2
129.06958	0.8
131.08572	7.1
133.10139	9.0
134.10849	0.4
135.08057	8.7
135.11702	1.5
136.08821	0.6
137.09641	0.4
140.97998	0.3
143.08563	2.1
144.09335	0.8
145.10107	3.5
147.08101	0.5
147.11697	3.7
148.08835	1.0
149.08505	0.7
149.09618	3.1
149.13252	3.2
152.90991	0.3
153.62970	0.3
158.10918	4.3
161.09639	4.3
163.14795	0.9
173.13275	11.0
176.11954	2.2
177.07864	2.1
191.14314	100.0
192.10165	2.2
192.14607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.6
55.05501	7.8
57.03423	1.9
57.07079	3.2
67.05515	8.8
69.03426	10.9
69.07072	15.4
70.52442	3.9
70.52778	2.9
71.04984	3.5
74.69740	1.8
79.05504	13.7
81.07064	21.2
83.04990	14.8
83.08622	4.0
85.06558	3.0
91.05488	20.4
93.07045	31.3
95.04957	6.1
95.08070	1.8
95.08620	27.9
97.06535	9.2
103.05508	3.3
105.07033	29.2
107.04970	15.7
107.07869	3.2
107.08601	63.4
109.06536	19.3
109.10135	7.4
111.08088	7.2
115.05454	1.8
116.06263	2.4
117.07001	3.6
119.08590	15.8
121.06510	38.9
121.10149	57.3
121.54157	1.6
123.08086	15.8
129.07013	2.6
131.08575	32.7
133.10132	29.7
135.08049	28.6
135.11700	8.3
143.08565	5.8
144.09294	2.0
145.10132	18.6
147.11688	17.5
149.08437	2.2
149.09631	34.5
149.13271	17.0
158.10953	8.7
163.11180	3.4
163.14841	13.4
164.76791	1.5
173.13272	49.6
177.07874	10.7
191.14314	100.0
192.10229	11.9
204.04919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.70668	1.6
53.03934	3.9
55.05520	18.2
57.03427	6.4
57.07072	3.7
63.85659	1.7
67.05510	12.0
69.03432	40.0
69.07069	11.5
71.04990	6.4
71.22612	2.1
79.05500	16.3
81.03406	2.7
81.07063	22.1
83.04979	7.3
83.08607	5.7
85.06558	14.4
91.05486	25.9
93.07049	32.6
95.04958	8.6
95.08617	22.7
97.06515	7.3
105.07031	41.7
107.04984	4.0
107.08602	49.6
109.06524	13.7
109.10167	11.3
111.08088	4.5
116.06251	2.4
117.07034	8.8
119.08579	30.8
121.06526	15.7
121.10150	29.9
123.08068	6.3
125.15735	1.8
129.07005	7.3
131.08577	45.6
131.60806	1.7
133.06483	2.3
133.10139	46.0
135.08070	20.1
135.11684	7.4
137.09608	5.9
137.59798	2.1
143.08582	6.4
144.09380	3.9
145.06544	4.7
145.10124	20.9
147.11691	23.7
149.00375	2.0
149.09636	10.3
149.13255	12.9
158.10960	14.6
159.08046	2.9
160.08826	16.4
161.09624	3.4
161.13245	5.7
163.07565	2.8
163.11148	3.6
163.14832	9.7
173.13272	49.8
176.08386	5.5
177.05391	2.4
177.07858	7.0
182.87267	2.0
190.08607	2.0
191.07118	2.4
191.09219	3.8
191.10710	21.5
191.14325	100.0
192.10210	9.0
192.14726	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01890	4.8
55.05522	4.5
57.03434	1.4
57.07065	1.8
60.21355	0.8
62.76898	0.9
67.05524	5.8
69.03436	52.0
69.06727	1.4
69.07076	19.9
69.78734	4.1
69.79136	1.4
69.95120	0.9
71.05000	2.0
76.55791	0.9
76.67675	0.9
77.83564	0.9
79.05501	8.9
81.07062	6.8
83.04979	9.1
83.08622	3.7
85.06567	1.1
91.05486	11.1
93.07059	17.9
95.04974	3.7
95.08626	8.2
97.06531	3.4
103.05460	1.0
105.07040	14.4
107.04992	1.7
107.08603	32.3
109.06535	5.7
109.10168	4.8
111.08080	1.8
117.07008	4.5
119.08585	11.3
121.06516	14.3
121.09321	1.7
121.10152	26.4
123.08041	5.0
129.07083	2.2
131.08580	16.1
133.10141	26.3
134.03232	1.0
135.08060	26.4
135.11700	8.6
137.09645	2.9
143.08594	5.0
144.80727	0.9
145.10146	8.7
147.08055	2.0
147.11699	23.9
149.09624	11.0
149.13281	16.9
158.10912	5.5
161.09630	3.6
163.11237	4.5
163.14806	5.0
173.13266	26.8
176.11984	3.3
177.07869	5.5
183.39777	1.0
191.06973	1.7
191.10692	3.2
191.14322	100.0
192.10199	7.0
192.14737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.28881	0.4
51.29461	0.5
51.36980	0.5
53.03956	1.8
55.01891	0.8
55.05519	5.2
57.03468	0.6
57.07074	0.6
58.95801	0.5
65.03948	1.5
67.05511	9.9
69.03435	1.4
69.07074	3.6
70.93531	1.2
71.05000	1.0
74.61839	0.6
77.03932	0.7
79.05500	8.6
79.05917	0.9
81.03444	0.8
81.07066	9.5
81.07528	0.9
83.04991	2.2
83.08649	1.8
91.05486	26.2
93.03431	1.4
93.07056	19.6
94.07361	0.6
95.04978	2.7
95.08620	5.2
97.06553	0.6
97.10177	0.9
99.04462	0.5
103.05479	13.0
105.03423	1.0
105.04514	0.9
105.07041	40.7
107.05001	2.7
107.08602	10.2
109.10170	4.7
111.04466	2.8
115.05454	5.2
116.06252	1.8
117.07027	30.9
118.04168	1.4
119.04988	0.9
119.08594	37.7
121.06519	2.9
121.10162	7.6
123.08111	0.9
123.11702	0.7
125.06013	0.8
128.06230	1.9
129.07008	4.5
130.04153	1.1
130.07793	16.2
131.04959	3.7
131.08588	6.4
133.02788	0.6
133.06496	1.1
133.10181	3.6
135.04424	4.3
135.08080	2.7
135.11713	7.1
137.05969	0.6
143.08565	4.7
144.05812	0.6
145.06485	2.9
145.10135	100.0
146.10512	1.9
147.08047	0.8
147.11694	5.8
148.05176	1.7
148.08740	0.6
149.06001	5.7
149.09642	2.1
149.13269	1.9
155.08604	1.5
158.07309	1.5
162.10397	1.3
163.07571	3.5
163.11209	4.1
173.09641	34.6
173.13193	2.6
174.09911	0.8
176.04645	1.2
177.07791	0.8
191.07071	3.4
191.10680	27.4
191.14311	10.0
191.17949	5.0
192.10196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	1.2
55.01871	1.6
55.05511	6.0
57.07079	2.4
61.90859	0.5
63.44823	0.5
65.03932	0.7
67.05219	0.6
67.05508	5.6
69.03078	0.9
69.03432	13.9
69.07072	9.9
71.04987	1.4
79.05491	6.0
81.03393	0.7
81.07061	8.1
83.03382	0.5
83.04988	12.0
83.08621	4.6
85.06528	1.0
91.04969	0.8
91.05487	9.4
93.07051	12.6
95.04971	2.0
95.08621	10.0
97.06527	1.8
97.10150	2.1
98.20717	1.2
103.05486	1.0
105.07030	11.2
107.04943	1.9
107.08601	28.4
109.06557	3.4
109.10167	7.8
111.08079	0.6
111.11741	0.7
115.05458	1.5
116.06205	0.8
117.07017	3.0
119.06004	0.5
119.08591	7.4
121.06532	6.2
121.10144	18.0
123.08066	2.7
123.11685	1.3
129.07005	1.7
130.07823	0.8
131.04916	1.0
131.08569	13.2
133.06502	1.0
133.10133	13.5
135.04391	0.7
135.07109	1.0
135.08066	14.4
135.10716	0.7
135.11697	11.4
136.08830	1.4
143.08569	4.0
144.09335	1.0
145.06485	1.1
145.10118	9.6
147.08054	1.3
147.11696	6.5
148.08820	0.9
149.09619	5.9
149.13266	6.7
158.10934	6.5
161.09608	5.3
163.07593	0.9
163.11206	1.1
163.14801	1.5
173.09659	1.5
173.11768	0.7
173.13274	15.6
176.11943	3.0
177.07867	3.2
191.07028	1.7
191.08893	1.3
191.10742	5.8
191.14316	100.0
191.17900	8.1
192.06548	0.8
192.10156	4.3
192.14653	1.2
199.53769	0.5
202.35387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03948	1.8
54.30295	0.7
54.93833	0.9
55.01876	1.7
55.05520	6.3
55.10252	0.7
57.07069	1.6
59.06883	0.7
65.03928	2.3
67.05496	6.3
69.03417	3.5
69.07065	7.7
71.04987	1.2
71.55713	0.8
71.94090	1.9
72.93787	1.8
78.18073	0.7
79.05496	12.9
80.56726	1.0
80.88737	0.7
81.07066	11.7
83.04990	1.6
83.08603	2.8
85.06544	0.9
91.05487	37.0
93.07047	20.3
95.04983	4.9
95.08617	15.0
97.06523	2.1
97.10175	2.0
103.05480	9.8
104.06274	1.2
105.07034	33.4
107.04946	6.5
107.08602	23.7
109.06515	3.3
109.10157	10.7
111.17018	0.7
111.96857	1.1
112.96700	1.3
113.96401	3.4
115.05453	18.9
115.06245	0.9
116.06251	1.9
117.07021	42.2
118.04190	1.3
119.04958	4.7
119.05666	0.6
119.08588	28.7
120.05736	1.0
121.06515	13.3
121.10139	14.8
123.08059	2.0
123.11707	2.5
128.06216	4.3
129.06999	8.3
129.97932	0.9
130.07787	5.6
131.04935	24.8
131.08575	11.8
131.97424	1.5
132.05713	14.7
133.02850	1.4
133.06509	9.7
133.10141	8.5
135.04457	4.8
135.08061	15.4
135.10686	1.0
135.11708	16.7
137.05971	2.1
143.08560	3.6
145.06491	100.0
145.10133	33.0
146.07274	8.3
147.04420	2.0
147.08052	34.2
147.11708	5.5
148.05171	5.8
148.08795	1.5
149.05962	4.3
149.09645	4.1
149.13255	4.6
155.05980	1.0
155.08546	2.3
157.10242	0.8
158.07259	3.4
158.10890	1.5
159.08040	1.1
160.05202	1.3
161.09575	1.2
163.03929	2.9
163.07549	49.4
163.11198	3.4
163.14766	1.9
173.05989	22.9
173.09615	9.8
173.13280	9.0
175.04039	0.9
175.11078	0.9
176.04698	2.6
176.08296	1.1
176.11945	1.8
177.07904	1.4
189.05421	0.9
191.07039	92.3
191.10675	38.7
191.14305	34.0
191.17944	10.3
192.07370	1.1
192.10251	2.6
201.12770	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	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96556	0.6
57.03431	0.8
59.66966	0.2
61.02934	0.2
69.03429	0.4
69.27422	0.2
71.47305	0.4
73.02917	1.3
84.96011	0.2
85.06538	0.3
85.47243	0.2
89.03928	0.8
95.74220	0.2
97.02868	0.3
98.97593	1.4
110.97619	0.5
116.04984	2.9
116.98629	0.6
128.98601	0.3
143.00204	0.2
144.04462	1.0
144.13824	0.4
162.05507	100.0
163.05847	1.9
177.00726	0.2
190.04999	34.7
191.05264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03934	1.6
55.05517	9.3
57.07082	1.2
65.03944	1.5
67.05177	1.1
67.05512	16.7
69.03407	1.4
69.07069	7.0
71.56382	1.5
76.50053	0.9
79.05067	1.0
79.05500	13.3
81.07061	42.9
83.08611	2.5
91.05486	27.9
93.07049	27.8
95.04942	1.8
95.08614	61.5
97.10145	1.5
102.42754	0.8
103.05450	2.2
105.07037	58.0
105.10240	1.0
107.04975	5.6
107.08601	29.2
109.06535	1.2
109.10162	18.8
115.05463	4.2
117.07028	6.6
119.08591	46.5
121.06532	1.5
121.10149	10.3
123.11733	1.5
128.06250	9.8
129.07019	6.9
130.06534	2.1
130.07785	2.1
131.08601	6.0
133.06496	4.8
133.10139	63.6
141.07027	1.3
143.08546	9.4
144.08101	2.0
145.06476	2.7
145.10110	7.1
146.07274	2.5
146.10880	1.6
147.08075	12.2
147.11696	28.6
153.59532	0.9
156.09326	3.1
157.06427	1.5
159.08078	1.4
159.11797	1.7
161.06039	6.3
161.09604	6.0
161.13269	22.7
171.11726	6.2
174.06799	3.7
174.10393	3.0
189.05453	5.5
189.07220	2.0
189.09140	16.1
189.12798	20.5
189.16393	100.0
190.16737	1.2
192.42352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01871	9.9
55.05490	7.9
56.05010	2.7
56.96572	88.9
57.03445	16.6
57.07067	3.4
58.99851	2.3
59.04998	2.7
60.04494	3.0
61.02932	11.7
65.03917	5.5
67.05477	7.7
68.05011	3.0
68.99770	4.9
69.03439	30.4
69.07046	9.0
70.06572	5.2
70.22170	4.2
71.01369	16.5
71.04968	7.7
71.95282	1.8
72.08149	3.4
72.93766	3.8
73.02922	22.3
73.06530	3.9
74.03251	2.4
74.97609	2.7
75.04456	8.2
79.05499	14.4
81.03411	10.4
81.07034	8.4
83.00781	2.6
83.04945	6.9
84.04475	6.0
84.08141	9.8
84.96010	6.2
85.02913	25.3
85.06544	3.6
86.06031	3.4
86.09680	3.1
87.04452	5.9
88.03962	5.3
90.94816	3.3
91.05481	21.5
92.05043	1.8
93.07053	12.2
94.06544	2.2
95.04950	5.9
95.08573	5.8
97.02911	29.4
97.06494	2.3
98.03190	2.1
98.97591	45.7
99.04448	2.9
100.02479	9.4
100.99115	7.3
101.00902	12.2
101.02369	4.4
103.00631	2.1
103.02379	2.8
103.03944	10.8
103.05457	9.7
105.02169	2.4
105.07045	17.2
106.06535	3.2
107.04965	9.9
107.08617	21.1
108.01575	2.6
109.02840	8.2
109.06494	6.7
109.10128	4.7
110.07191	11.9
110.97573	12.9
111.04447	2.7
111.05560	2.0
112.37925	1.9
112.99088	6.3
115.02425	5.3
115.03918	3.2
115.09510	2.7
116.01244	4.1
116.98626	26.4
117.01864	4.5
117.04523	24.0
117.07007	9.6
118.03464	4.5
118.06487	6.0
119.00163	5.4
119.01144	2.8
119.01918	39.0
119.04906	6.2
119.08527	9.0
119.09251	2.1
120.01909	2.1
120.08090	2.0
121.01630	5.6
121.02871	9.4
121.06534	9.8
121.10146	14.4
123.08018	4.2
123.11665	2.6
125.02345	2.3
127.02322	5.0
127.03896	7.6
128.02254	3.3
128.53683	2.5
128.98627	15.4
129.03831	3.2
130.04120	2.5
131.00208	20.4
131.01874	16.8
131.03380	8.3
131.04834	3.7
131.08585	14.5
132.95798	5.9
133.03426	5.5
133.06499	2.6
133.10146	20.0
134.04437	6.2
134.06049	10.2
134.09515	1.9
134.99654	10.9
135.04410	3.4
135.08058	15.4
135.11647	6.2
137.02966	4.5
137.05997	25.8
139.03944	3.1
141.03987	2.3
143.00177	4.6
143.01942	13.3
143.08524	2.8
145.04060	100.0
145.06403	6.0
145.07513	5.0
145.10167	12.0
145.11528	2.0
146.06020	20.5
146.99670	15.6
147.03151	2.8
147.04353	4.7
147.05501	16.7
147.07997	4.2
147.11673	6.5
148.03925	4.3
148.05074	4.1
148.08704	2.5
149.00142	4.0
149.01237	56.3
149.04663	4.2
149.05908	3.8
149.09563	8.8
149.13208	6.9
150.96855	8.6
155.01744	2.9
155.04648	3.9
155.05980	7.4
157.03381	3.3
158.10904	5.0
158.99551	6.2
159.03004	3.5
159.04900	2.1
161.01154	4.9
161.02992	14.6
161.04849	2.3
162.05521	75.4
162.99156	4.7
163.02768	3.2
163.05959	57.3
163.07494	6.5
163.08684	2.9
163.14835	3.5
165.00656	5.1
167.02303	18.0
167.05528	3.2
167.97119	3.5
168.02553	7.1
168.05144	16.1
169.03401	2.9
170.99606	5.0
171.04933	2.4
172.02838	2.8
173.02837	6.1
173.07147	14.2
173.09483	2.5
173.13245	18.3
174.05533	20.6
176.04689	2.9
176.06978	2.8
177.00642	9.2
177.02992	4.4
177.07773	6.1
179.55215	5.9
180.56033	4.8
184.00464	2.7
185.01201	2.3
185.02936	7.1
186.03102	14.9
186.06128	4.9
186.56187	2.4
187.02696	2.9
189.00696	6.7
190.01053	2.4
190.98611	2.8
191.04477	93.7
191.08328	19.0
191.10727	6.2
191.14285	42.7
192.04886	2.1
192.06546	8.1
192.10170	11.7
197.02853	3.0
201.00630	4.3
202.17545	2.2
204.04063	4.1
208.99702	4.2
209.03035	2.9
213.00623	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.4
52.03678	0.4
55.01870	0.9
55.05501	1.4
55.19582	0.4
57.07064	0.3
58.92061	0.4
65.03953	0.4
67.05520	3.0
69.03414	1.4
69.07051	1.3
70.23792	1.0
70.24186	0.7
77.03913	0.6
79.05492	3.3
81.07060	5.2
82.03282	0.4
83.04975	0.6
91.05487	11.3
93.07046	3.2
95.04948	1.1
95.08625	4.8
103.05466	1.7
105.07040	19.8
107.04963	2.1
107.08585	3.3
109.06525	0.9
109.10172	1.7
115.05451	2.5
116.06247	1.0
117.06318	0.6
117.07049	5.2
119.04960	0.9
119.08589	23.9
120.08881	0.4
121.06515	10.9
121.10143	1.1
128.06239	9.5
129.07024	4.9
130.07774	1.9
131.04938	1.6
131.08597	4.4
132.05717	3.9
133.06514	2.4
133.10143	14.1
135.08064	12.6
141.07014	1.4
142.07823	0.9
143.08568	13.3
145.06506	6.9
145.10135	5.2
146.07283	8.2
146.10913	0.4
147.08057	100.0
147.11696	6.1
148.08397	1.2
155.06068	0.8
155.08569	0.4
156.09363	4.0
157.06490	0.6
157.07680	0.6
159.08070	10.6
159.11676	0.8
160.08852	10.0
161.06020	3.3
161.09637	36.6
161.13272	5.2
162.09938	0.8
171.08055	7.3
171.11729	4.5
172.08887	0.5
174.06790	23.4
174.10413	17.0
175.03877	0.5
175.07216	0.5
189.05576	2.7
189.09137	49.9
189.12756	91.0
189.16348	9.7
190.09435	0.9
190.13103	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.54485	0.9
53.03933	2.1
53.10024	0.9
55.05514	5.9
57.07071	1.1
67.05170	1.1
67.05512	13.7
67.26309	0.8
69.07070	6.4
71.50354	1.0
71.50687	1.2
79.05501	11.6
81.07063	49.7
83.08601	2.8
91.05489	24.9
92.41940	0.9
93.07052	28.9
93.26475	0.8
94.41882	0.9
95.04974	1.6
95.08614	58.0
95.20087	0.9
100.34293	0.9
103.05487	1.7
105.07039	55.2
107.08604	23.7
109.10165	19.3
115.05429	1.9
117.06996	2.5
119.08592	42.5
121.06499	1.5
121.10166	8.1
128.06221	3.6
130.07777	1.3
131.08585	5.7
133.06487	1.5
133.10138	58.5
134.41692	1.0
135.11758	1.1
139.29852	1.0
143.08588	4.1
145.10139	4.7
146.10896	1.6
147.08078	4.5
147.11694	27.9
156.09354	2.9
160.12497	1.4
161.05913	1.1
161.09637	2.2
161.13278	14.7
171.11685	3.9
187.14810	1.2
189.05409	1.8
189.09122	4.8
189.12804	10.7
189.16396	100.0
190.16643	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
53.29244	1.1
54.23944	1.2
54.67489	1.3
55.01875	2.1
55.05502	3.8
58.37683	1.2
65.03935	1.3
67.05170	1.8
67.05508	22.3
69.03412	2.5
69.07064	3.8
69.46729	1.2
70.45884	4.1
71.04985	5.0
79.05497	16.1
81.07061	23.2
83.04977	2.1
85.06545	2.0
91.05491	47.6
93.07043	13.3
95.04951	5.8
95.08611	8.4
97.06541	1.7
98.21447	1.7
103.05470	2.3
105.07032	41.8
107.04942	3.5
107.08585	6.0
109.06519	17.5
109.10169	1.4
111.04458	2.6
115.05454	6.9
117.07026	31.3
117.68930	1.3
119.08584	40.7
121.06505	3.9
123.08030	3.0
128.06223	26.5
129.05554	1.5
129.07011	33.5
130.07845	7.1
131.04967	1.3
131.08565	21.1
133.06499	8.0
133.10143	21.4
133.94951	1.3
134.07387	1.6
135.08043	2.3
141.06989	4.1
142.07713	3.1
143.08571	57.3
145.06491	4.1
145.10141	34.1
146.07269	2.4
146.10654	1.4
147.08064	15.6
147.10648	2.2
147.11700	25.2
148.08835	1.6
148.85629	1.2
155.06049	1.8
156.09361	12.2
157.06505	1.5
161.06038	2.9
161.09627	24.4
161.13235	9.9
171.07990	6.9
171.11707	40.8
174.06725	2.5
189.05519	1.7
189.09146	20.0
189.12750	100.0
189.16348	10.0
190.13136	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
57.07069	1.0
63.92041	1.0
65.03960	1.5
67.05498	2.7
69.03438	7.9
69.07069	3.1
69.80773	5.2
79.05485	5.2
81.07042	3.4
83.04943	1.6
91.04219	1.1
91.05490	10.7
93.07033	6.0
95.08604	3.4
98.21483	2.4
103.05511	1.8
105.07045	20.8
107.08591	4.8
109.06500	1.7
115.05439	2.0
117.07013	6.9
119.04950	2.0
119.08596	37.6
121.06552	1.6
121.10149	2.6
128.05379	1.4
128.06192	6.2
129.07048	6.7
130.07785	3.5
131.08588	6.5
133.06491	5.1
133.09238	1.4
133.10149	11.9
135.08061	3.4
141.07018	9.9
143.07559	1.7
143.08560	10.0
144.09337	3.0
145.06552	1.6
145.10136	18.8
146.10875	1.5
147.08078	16.6
147.11708	30.7
155.08623	2.7
156.09363	48.6
157.09669	1.2
159.08104	8.0
159.11737	12.1
160.08852	2.4
161.09642	5.4
161.13264	10.0
171.11713	63.0
174.10396	12.4
189.07118	2.1
189.09123	3.5
189.12759	100.0
189.16377	3.8
190.13152	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05508	5.0
60.63123	0.9
67.05509	7.7
69.03432	6.9
69.07072	4.8
70.22630	1.0
71.55535	1.4
78.98516	0.9
79.05508	6.8
79.05885	1.2
81.07063	17.3
83.08624	2.2
91.05485	22.9
93.07050	10.5
95.04990	1.8
95.08054	1.7
95.08617	22.9
103.05431	1.3
105.07040	43.7
107.08601	13.1
109.06564	1.6
109.10168	8.3
115.05450	1.7
117.07030	10.8
119.04910	1.3
119.08588	47.3
121.06519	1.0
121.10148	6.8
127.05365	1.0
128.06236	8.8
129.07001	7.5
130.07806	6.1
131.08586	13.9
133.06499	4.4
133.10139	36.9
141.06987	11.6
142.07799	1.4
143.08575	16.4
144.09312	1.7
145.06433	3.4
145.10135	22.8
146.07240	1.1
146.10890	3.8
147.08054	12.0
147.11702	29.2
149.02339	1.7
155.08582	2.6
156.09363	46.1
157.09914	1.4
159.08035	4.7
159.11687	13.0
160.08821	1.3
161.05988	3.0
161.09663	4.9
161.13263	9.7
171.08064	2.3
171.11703	61.4
172.12080	1.1
174.06709	1.7
174.10414	10.8
189.05392	2.0
189.09186	15.0
189.12747	100.0
189.16391	42.4
190.08627	1.7
190.12996	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
67.05480	2.1
69.03438	5.8
69.70705	3.5
79.05509	1.9
81.07067	1.5
86.35679	0.9
91.05474	7.0
93.07040	2.3
103.05492	1.1
105.07031	13.4
107.08597	3.1
115.05447	1.2
117.07015	3.8
119.07787	1.6
119.08586	20.6
121.69270	1.0
128.06245	3.2
129.07005	3.5
130.07793	4.8
131.08578	7.1
133.06540	1.7
133.10135	6.8
141.07001	9.8
142.07784	1.2
143.08588	6.7
144.09337	3.1
145.06541	1.3
145.10136	17.7
147.08054	9.4
147.11693	12.1
155.08571	3.3
156.09358	62.6
157.09683	1.4
159.08067	6.8
159.11725	12.5
160.08870	2.3
161.09639	2.3
161.13293	3.9
171.11694	71.6
172.12051	2.5
173.09567	1.5
174.10402	11.5
189.12753	100.0
190.13120	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41217	0.9
55.05505	1.0
69.03423	5.8
69.58251	1.0
69.58500	2.9
69.58906	3.3
75.25687	1.0
91.05487	6.4
93.07025	1.7
95.08572	1.4
104.62610	0.9
105.07035	13.2
107.08598	1.9
115.05449	2.2
115.49259	0.8
116.06328	1.1
117.06995	5.1
118.58764	0.9
119.08587	19.3
125.61591	1.0
128.06224	5.1
129.06984	4.8
130.07787	5.9
131.08591	6.3
133.06497	2.3
133.10144	5.1
141.07010	10.9
142.07742	1.3
143.08554	7.9
144.09338	3.0
145.10136	22.9
146.10851	1.8
147.08060	8.0
147.11699	14.1
155.08568	2.8
156.09355	62.4
157.09782	2.1
159.08066	5.4
159.11699	15.1
160.08871	2.2
161.13239	2.3
171.11697	71.5
172.12100	2.1
174.10437	9.3
189.05551	1.4
189.12755	100.0
190.13020	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02383	0.7
51.30608	0.7
53.03937	1.8
55.01869	1.8
55.05518	6.1
57.07076	1.2
60.41828	0.7
65.03936	1.6
65.26048	0.8
67.05511	9.6
69.03423	2.7
69.07061	6.0
70.02420	1.4
70.02825	2.7
74.09801	0.7
77.03916	0.9
79.05502	8.5
81.07063	21.4
83.08609	2.7
91.05486	36.5
92.05807	0.7
93.07051	12.7
95.04980	1.9
95.08612	22.7
95.73772	0.7
100.01855	0.7
100.02433	1.4
103.05465	5.6
105.07037	67.5
106.07356	1.3
107.04951	2.0
107.08598	12.6
109.06530	1.4
109.10155	6.3
109.57788	0.6
115.05455	9.4
116.06221	2.9
117.07022	34.9
118.03532	1.4
118.07339	0.8
119.04952	1.5
119.08587	38.3
120.08929	0.9
121.06490	2.2
121.10144	4.9
124.92561	0.6
128.06233	43.3
128.54515	0.7
129.07013	16.7
130.07802	20.3
131.04941	2.1
131.08582	9.4
132.08859	1.0
133.06508	3.3
133.09283	1.9
133.10136	42.9
135.08072	1.9
141.06992	2.7
142.07780	1.4
143.08571	74.2
144.09323	2.2
145.06519	3.9
145.10135	64.7
146.07259	3.1
146.10722	2.6
147.04349	0.9
147.08044	8.3
147.10860	1.5
147.11713	21.6
155.06027	2.4
156.09363	4.2
157.06450	1.9
159.08101	2.1
159.11700	2.0
160.08890	0.8
160.12376	1.0
161.05974	3.9
161.09630	16.3
161.13333	8.5
165.58096	1.2
171.08061	37.6
171.09511	1.8
171.11697	8.6
173.06030	0.8
174.06781	5.1
174.10408	2.9
189.05594	3.5
189.09125	100.0
189.12723	28.2
189.16454	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	189.0913
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.04484	0.6
51.78424	0.6
53.03946	1.2
55.01868	1.6
55.05297	0.6
55.05519	5.1
55.37099	0.6
56.96563	1.1
57.07082	0.7
65.03946	0.8
67.05512	6.5
69.03441	3.6
69.07074	4.4
69.87246	2.0
69.87660	1.1
79.05496	7.1
81.07066	15.5
81.76166	0.6
83.04984	1.1
83.08621	1.4
91.05492	35.9
93.07066	8.4
95.04984	2.9
95.08622	14.4
97.06539	1.2
98.20886	0.7
100.84015	0.5
103.05483	4.9
105.07044	62.8
107.04964	1.5
107.08606	9.3
109.06509	2.3
109.10178	4.4
115.05470	12.3
116.06226	2.2
117.07029	23.3
118.07806	0.8
119.04961	2.6
119.08596	47.7
121.06514	3.4
121.10163	3.6
122.81576	0.5
123.08079	0.6
126.04373	0.6
128.06238	58.7
129.07030	16.5
130.07806	16.0
131.04939	1.8
131.08585	12.0
132.05685	1.1
133.06529	7.4
133.10144	44.3
135.08080	13.9
135.22014	0.7
141.06989	6.1
142.07796	2.2
143.08578	100.0
144.09378	3.4
145.06517	6.8
145.10144	39.1
146.07295	3.8
146.10815	2.1
147.04436	1.4
147.08066	15.0
147.11711	22.5
155.06039	3.2
155.08614	1.0
156.09360	20.8
157.06525	0.8
159.08095	5.1
159.11694	5.5
160.08894	2.3
160.12457	0.8
161.06006	4.8
161.09637	25.4
161.13260	12.3
165.58687	1.0
171.08063	25.1
171.11713	26.3
172.08449	0.6
173.09724	0.6
174.06799	6.9
174.10423	6.5
189.05620	3.5
189.09140	73.7
189.12756	65.0
189.16414	28.0
190.09480	1.0
190.13127	0.8
206.64453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.47589	0.4
57.02819	0.4
58.24296	0.4
66.10023	0.4
70.68979	1.4
74.68822	0.4
74.86111	0.5
82.22412	0.4
82.29903	0.4
86.85147	0.4
91.05486	5.0
103.05492	0.7
115.05459	5.6
117.05779	1.5
117.07027	4.5
118.06554	72.1
119.06873	0.9
132.08134	0.5
137.97787	0.4
142.06535	5.8
143.07321	12.4
144.04459	0.9
144.08104	23.0
145.06543	0.4
145.08418	0.6
146.06020	100.0
147.06424	1.2
155.06061	1.3
160.07613	1.7
170.06020	9.4
188.07083	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	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82238	0.3
57.67222	0.3
62.10371	0.4
70.68405	1.0
84.04514	0.9
91.05499	3.8
92.22999	0.3
92.68442	0.4
98.28169	0.3
115.05456	5.9
116.06252	0.6
117.05788	1.5
117.07017	4.6
117.58514	0.3
118.06551	67.3
119.06882	0.7
142.06534	5.4
143.07307	12.3
143.08409	0.8
144.04486	0.9
144.08096	23.4
146.06020	100.0
147.06349	1.3
159.37219	0.4
160.07581	1.2
170.06018	8.6
188.07079	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	188.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11938	0.3
55.05510	1.5
56.05048	2.2
57.03439	1.7
58.06604	0.5
59.05001	2.3
60.04519	1.6
61.02929	8.8
61.59676	0.3
67.05486	0.6
68.05043	0.7
69.03432	2.0
70.02950	2.6
70.06609	0.5
71.04998	1.6
71.57471	0.5
72.04524	0.6
72.08164	1.0
74.06076	0.3
74.28837	0.4
74.87129	0.4
75.04501	0.9
80.05043	0.5
81.03419	1.5
81.07048	0.8
82.03769	0.6
82.06587	4.1
83.04985	4.4
84.04510	100.0
84.08144	0.5
85.02909	19.9
85.04843	0.5
85.06522	0.4
86.06086	0.9
87.04472	6.3
88.03996	0.4
91.05492	1.4
95.04985	0.6
95.07360	0.5
96.08143	0.4
97.02917	0.4
98.06049	0.8
99.04486	0.4
100.04715	0.4
100.07619	2.4
105.07054	1.1
110.06054	3.1
111.04448	1.4
112.04022	0.4
114.09179	0.8
115.05455	2.7
117.05788	0.5
117.07043	1.2
118.05700	0.6
118.06557	12.0
119.08564	0.7
121.06491	0.4
124.04809	0.8
126.05534	5.2
128.06223	0.7
128.07095	5.2
129.05495	1.4
132.08047	0.4
132.08942	0.6
134.05968	0.4
142.03081	0.4
142.06537	4.0
142.08673	1.3
143.07353	1.9
144.01131	0.4
144.08084	3.7
145.06493	0.4
145.10101	0.5
146.06026	16.6
146.08134	1.7
146.10503	0.7
147.06633	0.4
147.08035	0.4
152.04280	1.1
160.07591	1.1
160.09746	0.7
160.12173	0.4
170.02782	0.5
170.06081	7.6
170.07626	0.5
170.08128	0.6
171.06516	0.7
171.14960	0.7
172.07553	0.6
173.05949	0.4
173.08354	3.1
188.07126	8.1
188.09203	9.6
188.10785	8.1
188.15167	1.0
188.17670	0.5
189.12804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05499	2.0
57.07067	1.2
65.03934	0.6
67.05497	3.2
69.07081	1.1
69.43156	5.3
72.38634	0.6
79.05499	5.4
79.45399	0.6
80.22936	0.7
81.07066	13.6
88.02214	1.0
91.05491	11.5
93.07051	14.3
95.04980	0.8
95.08616	8.2
103.05458	0.8
105.07040	20.4
107.08606	10.0
108.82562	0.7
115.05449	2.3
116.06200	2.2
117.07019	13.7
119.08585	12.2
128.06221	1.3
129.06987	5.4
130.07840	4.5
131.08577	51.9
132.09314	1.2
133.10165	3.2
141.07001	1.4
143.08586	5.7
144.05704	1.1
144.09349	3.7
145.10135	67.5
146.10732	0.8
157.10168	3.6
158.10904	2.7
159.08089	1.9
159.11705	33.5
169.10132	0.7
172.08798	1.9
172.12480	3.1
185.13309	1.5
187.07559	1.4
187.11307	6.4
187.14839	100.0
188.15158	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03939	1.8
55.05509	2.0
57.07079	1.5
61.68506	0.7
67.05510	3.5
69.07076	1.9
69.48000	5.0
79.05503	7.7
81.06577	1.1
81.07061	16.3
91.05493	14.8
93.07058	18.9
95.04957	0.9
95.08070	0.6
95.08624	8.2
98.21473	1.4
103.05464	0.9
105.07040	24.7
107.08608	10.2
115.05466	1.9
116.06278	1.7
117.07036	14.6
119.08598	15.9
121.10146	1.0
128.06235	1.2
129.07024	3.7
130.07800	5.2
131.08585	55.6
132.09354	1.3
133.10135	2.9
143.08575	6.4
144.09343	4.0
145.10141	62.9
146.10670	1.1
157.10164	3.8
158.10915	2.7
159.11710	35.3
160.12009	1.2
172.12527	3.3
185.13268	2.1
187.11234	2.5
187.14844	100.0
188.15149	1.2
203.31302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03950	2.1
55.01869	3.9
55.05501	3.7
56.96560	1.2
57.03440	1.4
57.07071	3.0
57.58695	1.2
63.31266	0.9
64.64241	1.3
65.03927	1.4
67.05223	0.8
67.05513	9.2
69.03424	2.4
69.07061	3.7
70.69092	2.4
70.69444	1.0
71.04995	1.2
73.02934	0.9
79.05502	12.6
81.03423	5.2
81.07066	15.1
83.08595	1.8
84.28571	0.9
85.02890	2.4
88.02223	4.7
91.05491	37.9
93.07046	14.9
95.04971	4.2
95.08623	7.6
97.02897	1.9
99.04449	1.9
101.02408	4.9
103.05459	2.6
105.07034	27.7
107.04961	2.4
107.08588	12.1
109.02892	1.3
111.04436	2.3
115.05449	13.3
116.06245	8.1
117.07027	35.8
119.04958	1.4
119.08590	19.3
121.10143	1.5
123.04442	6.4
127.03918	3.7
128.06227	13.9
129.07025	16.3
130.07805	9.1
131.04921	2.9
131.08580	89.0
132.09364	1.6
133.06476	0.9
133.10168	7.6
139.03827	1.0
141.05452	2.2
141.07004	28.1
143.08566	18.4
144.05711	10.3
144.09383	8.9
145.06499	8.9
145.10133	88.8
146.07222	0.9
146.10963	1.0
151.03896	7.8
153.06900	1.3
154.07758	5.4
155.06035	1.2
157.06473	2.7
157.10117	6.0
158.07266	3.4
158.10941	4.9
159.04395	1.6
159.08067	28.4
159.11711	40.7
169.04984	7.3
169.06496	5.3
169.07790	1.6
169.10129	6.3
171.08107	0.9
172.05202	2.3
172.08894	6.2
172.12509	4.6
185.13281	1.8
187.06035	2.3
187.07553	28.9
187.11214	39.1
187.14841	100.0
188.15157	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01862	2.0
55.05509	2.2
57.03432	1.5
57.07064	1.3
62.23332	0.5
62.51931	0.6
65.03940	1.3
66.58007	0.6
67.05501	5.6
69.03419	2.5
70.06200	1.7
71.04981	0.8
74.12546	0.5
79.05505	4.9
81.03419	3.5
81.07054	4.4
83.04958	0.6
85.02922	1.3
87.34081	0.6
88.02221	2.8
91.05485	19.7
93.07061	4.1
95.04973	5.0
95.08595	2.3
97.02890	1.5
99.04450	1.5
101.02396	3.2
103.05473	2.1
105.03427	0.8
105.04522	0.6
105.07032	21.2
107.08590	2.0
109.02917	0.8
109.06486	0.6
111.04492	1.0
113.14798	0.6
115.05450	8.6
116.06243	5.2
117.07019	17.3
119.08580	5.6
121.06464	1.2
123.04431	4.4
127.03938	2.5
128.06235	19.9
129.07018	16.8
130.07803	6.8
131.04936	2.5
131.08574	53.9
133.06487	0.9
133.10147	4.8
141.05406	1.4
141.06998	28.4
142.07832	2.8
143.08574	23.3
144.05717	11.3
144.09357	9.6
145.06483	8.8
145.10132	31.9
146.07216	1.1
147.08040	0.7
151.03951	5.2
153.06989	4.5
154.07780	15.4
155.06042	1.7
157.06480	2.0
157.10139	5.3
158.07278	5.2
158.10858	2.2
159.08067	34.4
159.11699	40.8
160.08302	0.6
167.08504	0.8
169.04980	3.8
169.06470	3.7
169.07695	1.3
169.10132	18.3
171.08081	1.4
172.05177	1.5
172.08842	11.3
172.12483	1.9
173.47424	0.5
185.09673	0.6
187.05994	1.7
187.07590	24.7
187.11195	100.0
187.14810	25.3
187.22508	4.4
188.11555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01867	0.5
55.05499	0.3
55.15560	0.3
57.07067	0.4
59.50392	0.2
64.83082	0.3
67.05506	1.3
69.03423	1.1
69.07069	0.4
71.16717	0.5
76.11138	0.3
77.03924	0.3
77.60122	0.2
79.05498	0.8
79.52592	0.2
81.03418	1.6
81.07047	0.7
84.04501	0.9
85.02920	0.6
88.02206	0.9
91.05477	3.6
93.07022	0.7
95.04954	0.9
95.08604	0.4
97.02893	0.4
99.04444	0.9
101.02386	1.7
103.05446	0.4
105.03392	0.3
105.07037	6.4
107.04948	0.3
107.08588	0.5
109.02891	0.6
111.04427	0.5
115.05446	1.4
116.06222	1.0
117.07020	4.9
119.08584	10.0
123.04444	2.1
126.32755	0.3
127.03893	1.3
128.06224	2.5
129.07016	11.9
130.07787	1.9
130.40524	0.3
131.08571	12.3
138.13472	0.2
141.05446	0.6
141.07001	1.4
142.07816	1.2
143.08586	2.6
144.05713	0.6
144.09352	18.4
145.06453	1.1
145.10143	7.4
146.07263	0.4
147.08028	0.7
151.03891	2.0
153.06963	0.4
154.07797	1.6
157.06563	1.4
157.10132	2.0
158.07280	0.5
158.11021	0.5
159.08086	3.5
159.11702	28.1
160.12038	0.5
169.04935	2.0
169.10127	2.0
171.08046	0.6
172.08841	11.4
172.12407	0.6
186.10374	0.4
187.07762	2.5
187.11194	100.0
187.14708	7.1
188.11566	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01873	2.4
55.05502	3.0
57.03448	1.3
57.07075	0.9
65.03928	0.8
67.05512	6.3
69.03428	2.3
69.07072	1.3
70.32789	1.5
70.33188	1.3
71.04980	2.9
73.02912	0.7
79.05503	4.1
81.03428	1.8
81.07061	6.0
84.04494	1.3
85.02903	0.9
85.06551	4.1
88.02225	1.5
91.05484	22.6
93.07039	3.2
95.04973	1.9
95.08611	1.7
99.04436	1.0
103.05484	2.9
105.07039	18.1
107.04957	2.4
107.08646	1.4
109.06527	1.3
109.10162	2.6
115.05458	7.7
116.06241	5.5
117.07027	20.8
117.07854	1.1
118.81435	0.8
119.04913	1.1
119.08577	4.7
123.04468	0.8
127.03938	1.0
128.06227	10.5
129.07022	15.4
130.07805	6.3
131.04938	4.7
131.08580	63.0
132.15215	0.7
133.06496	1.6
133.10138	4.9
140.95517	0.8
141.06996	10.3
142.07777	2.8
143.08572	15.7
144.05721	6.1
144.09361	7.4
145.06480	10.7
145.10132	39.8
146.07272	1.5
147.04404	0.9
151.03935	0.9
151.11212	2.1
153.07022	2.8
154.07784	15.0
155.06053	1.0
157.06554	4.0
157.10126	3.5
158.07298	1.7
159.08098	12.2
159.11707	23.6
159.76228	0.7
169.04951	1.2
169.06415	0.7
169.10144	17.1
172.05219	2.6
172.08847	7.1
172.12338	0.7
187.07631	9.3
187.11201	100.0
187.14726	8.8
188.11517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0756
Annotation	5-Methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.02372	0.4
53.03936	1.1
55.01868	1.1
55.05502	0.8
57.07084	0.8
58.07414	0.5
58.60453	0.3
65.03945	0.9
67.05515	3.2
67.64175	0.4
69.03435	1.1
69.07065	0.5
71.54990	0.6
75.30470	0.4
77.03890	0.4
79.05500	3.0
81.03410	1.8
81.07066	2.6
85.10167	0.5
88.02220	1.3
91.05492	18.1
93.07053	3.5
95.04971	1.7
95.08600	0.9
99.04453	0.7
101.02398	1.0
101.43426	0.4
102.12834	0.9
103.05490	2.1
103.13182	0.6
105.03370	0.7
105.06381	0.6
105.07038	7.5
107.04967	1.7
107.08620	0.9
111.04471	0.6
115.05463	17.4
115.06271	0.9
116.06277	5.1
117.07025	8.7
119.04963	0.8
119.08601	3.3
121.06423	0.8
123.04434	1.5
127.03922	1.2
127.05447	1.0
128.06238	38.4
129.07043	9.4
130.07813	2.0
131.04956	2.5
131.08585	27.3
132.08995	0.7
133.06485	1.2
133.10156	0.6
141.07004	100.0
142.07845	3.0
142.68556	0.4
143.08580	24.4
144.05721	4.2
144.09399	2.7
145.06506	6.7
145.10144	13.4
146.07199	0.8
151.03917	1.9
153.06917	0.8
154.07794	3.0
155.06039	3.1
157.06549	2.1
157.07593	0.4
157.10121	1.6
158.07336	1.9
158.10899	0.6
159.04456	0.8
159.08083	23.6
159.11736	10.3
169.04976	1.7
169.06444	12.5
169.07605	1.2
169.10127	4.6
171.08145	0.4
172.05310	0.5
172.08859	4.1
172.12523	0.6
183.81136	0.4
186.22342	0.8
187.07578	26.4
187.11194	27.0
187.14900	8.1
187.22539	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	187.0755
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
51.72929	0.6
53.03933	1.1
54.52953	0.6
54.60359	0.6
55.01851	1.0
55.05505	1.1
55.13512	0.6
57.07074	1.1
65.03948	0.6
67.05505	3.1
69.03421	0.9
69.81452	3.7
71.79858	0.6
79.05492	4.5
81.03442	1.4
81.07066	4.0
88.02216	1.7
91.05485	26.6
93.07050	3.7
95.04957	2.5
95.08588	1.0
100.45020	0.6
101.02348	1.4
103.05447	1.9
105.07037	15.5
105.07752	0.8
107.04948	1.3
107.08604	1.7
111.04424	0.7
114.10719	0.7
115.05449	13.5
116.06242	6.8
117.07032	17.5
119.08582	6.8
121.06520	0.9
123.04402	1.3
127.03898	0.9
128.06230	23.5
129.07014	14.0
130.07788	6.7
131.04915	1.2
131.08574	72.2
132.08870	0.6
133.10146	4.2
141.06998	44.5
142.07684	2.2
143.08571	20.6
144.05716	29.7
144.09384	6.8
145.06514	6.2
145.10132	74.4
146.07265	0.9
146.10454	0.6
151.03889	2.2
152.06209	0.7
153.06993	2.9
154.07793	7.1
155.05992	1.2
157.06493	2.3
157.10170	4.9
158.07271	3.7
158.10841	1.8
159.08061	100.0
159.11691	22.6
160.08386	1.1
169.04990	1.8
169.06453	4.9
169.07703	4.2
169.10104	6.2
172.08838	8.9
172.12518	3.6
187.07558	46.5
187.11198	29.8
187.14832	32.4
188.07974	1.1
198.62833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0603
Annotation	Erinapyrone C
Peak:m/z	Relative Intensity
53.03945	11.8
55.01880	53.3
55.05521	8.1
57.03444	20.9
61.02938	10.9
65.03939	6.3
67.05510	34.8
68.99802	4.2
69.03074	5.6
69.03436	84.7
70.06602	8.6
71.01358	13.5
71.04993	11.4
71.19559	6.9
72.08157	3.4
73.02919	12.7
79.05496	9.0
81.03428	57.7
82.06593	3.2
83.01363	4.4
83.04996	38.7
84.04499	3.0
85.02914	100.0
87.00817	3.3
87.04477	10.9
93.03370	3.7
93.07043	2.7
95.01347	8.6
95.04985	45.5
97.02908	70.0
99.04473	28.4
101.02393	23.5
103.03955	11.2
103.92743	2.8
105.03382	3.7
107.04987	2.8
109.02902	31.6
111.04453	31.4
113.02372	8.6
113.05981	5.4
115.03967	11.0
116.07126	13.1
123.04432	68.0
125.02337	14.4
125.05989	3.2
127.03923	50.1
127.04820	4.2
139.03900	35.1
141.05476	22.0
142.08644	4.2
143.03438	3.0
145.10144	6.3
148.77122	3.1
151.03903	33.3
157.04929	6.1
169.04973	42.2
185.69467	2.7
187.06047	51.6
187.11104	6.0
187.14851	6.1
188.03778	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	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
51.66329	0.7
55.05514	2.0
56.96553	3.0
70.45146	2.3
79.05490	5.6
91.05482	2.2
91.72398	0.8
93.07050	1.7
101.52479	0.8
105.07047	4.6
115.05468	2.5
115.07586	0.7
117.07023	1.5
119.08624	3.7
128.06238	12.6
129.06151	1.2
129.07025	16.4
131.08580	2.5
141.06999	16.7
142.07793	42.1
143.08575	32.8
144.09352	3.2
145.10104	1.4
154.07750	1.0
155.08562	33.8
156.09358	32.1
157.10139	100.0
158.10458	2.2
159.08043	1.0
162.06248	1.9
169.07678	0.9
169.10161	2.4
170.10922	96.7
171.11307	2.6
185.09810	3.8
185.13275	86.4
186.13606	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	185.1538
Annotation	Chokol G
Peak:m/z	Relative Intensity
50.77721	1.7
53.03935	2.7
55.01872	5.7
55.05265	3.1
55.05517	47.1
57.03441	4.8
57.07080	16.0
59.05001	6.1
59.39662	1.7
62.36149	1.9
65.03946	2.7
67.05509	95.9
68.05856	2.1
69.03390	2.8
69.07073	52.3
71.04998	49.6
71.08636	3.9
71.47864	2.9
77.57446	1.7
78.45534	1.6
79.05499	22.2
81.07068	40.7
83.04990	28.5
83.08626	33.8
83.72649	1.8
85.06557	11.8
85.10178	11.5
91.05475	10.7
93.07053	40.0
95.08612	19.5
97.06541	83.2
97.10168	9.1
101.06026	9.1
101.70007	1.9
105.07047	12.2
105.77678	1.9
107.08599	25.0
109.10166	67.5
111.08097	18.1
113.09647	8.0
115.05466	4.5
119.08547	3.4
121.10144	12.3
123.11713	4.0
125.09641	4.5
127.11125	2.6
128.06221	23.3
129.07014	29.0
131.08586	4.0
141.06992	13.0
142.07787	40.0
143.08577	57.0
143.47765	2.0
144.09323	5.4
144.53304	2.1
149.13254	24.4
152.06212	2.2
155.08600	16.2
156.09367	17.0
157.10146	64.2
157.11447	3.7
167.14336	50.7
167.15764	2.4
168.09081	2.1
169.10133	2.4
170.07410	3.1
170.10922	34.7
185.04485	3.5
185.05952	2.8
185.09666	19.6
185.13280	100.0
185.15378	58.1
186.13617	4.2
188.46419	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1326
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.71897	0.5
53.03933	1.4
55.05513	6.1
56.96559	1.9
69.07072	0.9
70.84219	1.7
79.05486	1.5
81.07035	0.7
81.93556	0.6
91.05485	2.9
93.07031	1.9
95.04969	1.3
103.05485	0.9
105.07039	8.7
115.05471	5.2
117.06999	1.7
119.08571	2.3
128.06232	24.6
129.07008	37.7
131.08575	6.1
141.06995	10.1
142.07791	25.4
142.08932	1.1
143.08566	53.9
144.09373	4.1
145.06497	1.7
145.10121	1.4
155.06033	1.8
155.08568	12.2
156.09341	16.3
157.10139	43.7
169.10150	1.3
170.10922	17.3
183.11684	1.4
185.09691	2.4
185.13269	100.0
186.13599	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	185.1326
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03954	1.0
55.01901	0.6
55.05516	4.5
56.96561	2.0
58.53370	0.6
65.03963	0.6
67.05505	1.5
69.07056	0.9
70.72344	1.5
79.05501	3.3
81.07066	1.2
91.05478	7.4
93.07047	2.7
95.05003	0.8
95.08640	0.6
103.05485	2.1
105.07033	11.9
107.08597	0.6
110.63729	0.5
115.05458	9.8
116.06227	0.9
116.97178	0.6
117.07014	4.3
119.08588	2.5
127.05429	0.6
128.06229	46.6
129.07016	43.4
130.07486	0.7
131.08569	11.7
140.04898	0.7
141.06990	13.8
142.07785	35.7
143.08565	90.6
144.09395	3.9
145.06477	3.4
152.06252	1.1
155.06012	3.5
155.08556	11.2
156.09357	13.7
157.06502	1.9
157.10136	47.2
158.10532	0.9
159.08081	0.6
162.06261	1.2
167.08574	1.4
168.09334	0.9
169.10176	1.6
170.07228	1.3
170.10907	16.4
183.11681	1.8
185.04468	0.7
185.07056	1.9
185.09666	20.3
185.13263	100.0
186.13620	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	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.73354	0.7
55.05508	1.9
69.15052	0.7
69.95786	3.1
79.05494	3.4
91.05489	2.4
93.07047	1.4
95.05047	0.7
96.33298	0.7
98.21520	1.0
105.07046	6.8
115.05458	1.8
117.50491	0.8
119.08572	2.5
128.06239	10.6
129.07004	11.6
131.08583	2.3
141.06998	10.4
142.07793	39.7
143.08578	39.9
144.09265	2.1
148.99655	0.9
155.08565	20.6
156.09363	29.4
157.10138	100.0
158.10460	1.9
169.10168	1.9
170.10922	66.0
171.11252	2.4
183.11736	1.1
185.13274	80.8
186.13687	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
51.02383	0.4
51.94971	0.4
52.93379	0.4
53.03942	0.6
55.05514	4.6
55.16268	0.4
56.96549	1.5
61.84082	0.4
65.03923	0.5
67.05496	1.1
69.07082	1.0
70.66537	1.4
79.05498	3.9
81.07046	0.9
83.04996	0.5
91.05485	4.7
93.07035	2.5
95.04955	1.1
95.08592	0.8
97.06529	0.5
103.05444	1.0
105.06380	0.7
105.07035	8.2
107.08593	1.0
115.05451	5.5
116.97202	0.5
117.07025	3.0
119.08579	2.5
121.10136	0.6
123.08042	0.5
128.06229	25.0
129.07014	35.8
130.07817	1.3
131.08574	5.8
141.06998	14.0
141.08104	0.5
142.07788	27.2
143.08569	53.2
144.09386	4.4
145.06508	1.6
145.10089	0.9
153.06815	0.5
154.07793	0.6
155.06023	1.6
155.08568	19.8
156.09355	18.9
157.10136	52.4
158.10532	0.6
168.09348	0.9
169.07608	0.6
169.10155	2.0
170.10921	34.8
171.11320	0.8
183.11690	1.4
185.09810	2.9
185.13268	100.0
186.09077	0.5
186.13620	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	185.1326
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.46775	0.6
53.76300	0.6
55.05515	6.4
67.05492	1.0
69.07059	1.4
71.55606	0.7
74.07771	0.7
75.91144	0.6
78.17419	0.7
79.05486	2.0
84.04497	1.1
91.05475	4.6
93.07059	3.4
95.04947	0.9
98.21052	0.9
103.05450	0.9
105.07019	9.7
114.05507	1.4
115.05457	2.9
115.57430	0.7
117.07032	1.6
119.08559	2.4
126.05541	1.3
128.06227	17.7
129.07011	30.9
130.07777	1.1
131.08559	5.1
141.06976	7.9
142.07784	27.0
143.08566	59.1
144.09383	5.7
145.06508	1.2
145.10118	1.3
153.07010	1.0
155.06023	1.2
155.08569	11.0
156.09348	15.0
157.10132	49.1
169.10188	1.1
170.10930	21.3
183.11725	2.0
185.09741	3.6
185.13263	100.0
186.07613	1.0
186.13637	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	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03938	1.3
55.05520	5.0
67.05509	1.2
71.16707	1.5
79.05494	3.0
81.07055	1.0
82.20053	1.0
89.47035	0.9
91.05480	3.7
93.06242	1.0
93.07050	3.2
97.90923	0.9
105.07043	10.5
107.08564	0.9
111.36717	0.7
115.05466	3.8
117.07050	1.8
119.08574	1.9
128.06233	20.1
129.07016	28.4
131.08569	6.1
141.06989	9.6
142.07791	36.3
143.08568	58.7
143.47783	0.8
144.09280	3.9
145.06511	1.4
145.10226	1.1
154.14548	0.8
155.06094	1.2
155.08554	16.1
156.09354	20.1
157.10138	61.6
168.09419	1.1
169.10187	1.3
169.20782	0.9
170.07315	1.5
170.10924	31.3
185.04472	1.1
185.09709	7.2
185.13274	100.0
186.13596	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	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.05520	6.7
63.72951	0.7
71.09608	1.2
71.09937	1.3
79.05497	0.9
91.05490	2.8
93.07037	3.7
105.07037	9.7
115.05477	2.1
116.69739	0.8
117.07024	1.0
119.08603	1.8
128.06242	15.7
129.07016	28.8
130.07765	0.9
131.08560	3.4
141.07008	8.7
142.07794	26.4
143.08572	62.6
144.09418	4.4
145.06505	1.8
155.08571	7.7
156.09364	16.2
157.10147	68.8
158.10498	1.8
168.09358	0.8
169.07568	1.0
169.10019	0.8
170.10930	11.3
183.11699	1.7
185.09709	2.5
185.13274	100.0
186.13588	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	185.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85870	0.7
55.05511	6.4
62.64598	0.7
69.94124	1.5
69.94514	1.7
79.05479	2.0
91.05475	3.9
93.07055	4.1
97.54651	0.8
102.46896	0.7
105.07040	9.5
115.05457	4.2
117.07026	2.1
119.08620	1.2
128.06238	23.6
129.07016	29.7
130.07378	1.0
131.08583	5.1
141.07001	9.8
142.07788	36.2
143.08571	63.9
144.09389	5.5
155.06073	1.0
155.08563	11.5
156.09363	22.1
157.10139	77.5
158.10486	2.0
168.09303	1.1
170.10919	13.3
183.11742	2.9
185.09740	2.4
185.13271	100.0
186.13609	3.1
201.10721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.05511	1.8
65.03944	0.8
67.05503	1.3
69.07079	0.9
71.04997	1.0
71.18525	1.7
79.05499	4.4
81.07053	0.7
91.05510	0.9
93.07061	1.5
95.04957	1.0
97.43086	0.7
101.65843	0.7
105.07031	3.9
107.08612	1.2
115.05449	2.1
117.07069	0.7
119.08612	4.8
124.40703	0.8
127.11189	1.1
128.06232	6.4
129.07019	9.1
131.08562	1.5
141.06993	12.5
142.07796	42.4
143.08578	24.0
144.09357	2.8
144.35065	0.7
144.53728	0.8
144.92636	0.7
154.07906	0.7
155.08565	33.1
156.08067	1.5
156.09361	32.0
157.10143	100.0
158.10435	1.8
169.10115	2.8
170.10924	94.3
171.11301	1.9
183.11603	1.0
185.13275	72.2
186.13625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.05518	2.2
56.72373	0.7
57.58700	0.8
71.37110	1.6
76.16739	0.9
79.05502	7.0
91.05481	3.6
93.07082	1.0
95.04969	1.1
103.05448	0.9
105.07030	6.5
112.73793	0.7
115.05429	0.9
119.08586	14.0
128.06230	10.2
129.07027	11.0
131.08591	2.9
141.06996	10.4
142.07794	41.2
143.08572	36.2
144.09351	3.9
155.08563	20.8
156.09361	27.7
157.10143	100.0
158.10521	2.3
160.99852	0.8
169.10139	2.3
170.10924	51.6
171.11327	1.3
177.74557	0.8
182.20030	0.8
183.11679	1.6
185.13277	81.7
186.13612	1.9
190.03442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.097
Annotation	Nordephrine
Peak:m/z	Relative Intensity
53.03953	0.6
55.05509	0.8
66.10681	0.3
67.05505	1.8
68.05047	2.0
69.03426	0.5
69.07072	0.7
71.57857	0.5
79.05494	3.5
80.05032	0.6
81.05829	1.4
81.07066	1.9
82.02967	1.4
82.06590	1.6
83.04990	0.6
91.05500	0.8
93.07050	3.4
93.37516	0.4
95.04981	0.9
95.08614	3.8
96.04505	2.9
96.05294	0.7
96.08142	7.2
97.05293	1.7
97.06534	1.2
101.47401	0.4
105.07011	0.7
106.06547	0.7
107.05000	0.4
110.06062	9.0
110.09683	2.7
110.10453	0.6
120.08115	1.8
121.06518	3.3
121.10126	0.6
122.09676	3.3
123.06828	0.6
123.08105	1.4
124.07603	100.0
125.07919	1.1
135.08075	0.7
138.09152	25.6
142.07741	0.6
143.08568	0.6
148.07658	0.7
149.05980	1.4
156.09087	0.7
156.10262	0.5
157.10138	1.1
166.08644	16.5
167.07069	0.7
169.09846	0.8
184.09711	30.3
185.09941	0.9
185.13304	0.9
196.17509	0.4
203.75711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38406	0.4
56.96558	1.2
57.03424	0.3
63.19687	0.4
69.03434	0.6
70.15361	1.6
71.21188	0.3
80.94975	0.4
82.99832	2.5
85.02905	0.8
97.02888	1.0
98.97571	0.9
100.02512	0.5
101.00888	29.7
102.00985	0.8
115.02409	0.6
116.53902	0.4
117.04021	0.8
118.03480	0.4
119.01932	100.0
120.01991	2.2
121.97585	0.8
124.02442	1.8
127.03926	0.5
131.01891	0.5
133.03474	1.4
137.02965	22.1
138.03209	0.5
142.03511	19.4
143.01964	0.8
143.03648	0.6
157.03371	0.5
160.04561	4.2
161.02965	10.0
165.05124	0.4
165.96605	0.4
166.05083	0.7
166.08649	1.0
179.04033	10.5
183.97592	0.5
184.04587	1.5
184.09697	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11367	0.2
71.21148	0.3
82.99851	2.1
100.02417	0.2
101.00890	28.4
101.95039	0.8
102.00991	0.7
119.01930	100.0
120.02012	2.3
121.02370	0.6
124.02448	1.9
133.03485	0.8
137.02968	23.8
138.03061	0.4
142.03511	21.0
143.01971	0.4
143.03714	0.9
151.03656	0.2
160.04587	4.9
161.02968	9.2
161.04117	0.5
165.05054	0.5
179.04024	10.1
184.04567	0.5
202.05710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49337	0.5
54.25535	0.5
56.46798	0.5
56.96554	1.1
57.03432	2.1
60.08152	0.7
61.02925	1.4
61.27856	0.6
68.08364	0.6
69.03423	2.3
70.58604	1.5
70.58971	0.7
71.04950	0.6
71.73167	0.4
73.02915	3.8
74.03246	0.6
81.03423	1.0
82.99853	2.5
85.02902	2.9
86.09715	2.6
87.04465	0.6
92.51665	0.5
97.02909	2.4
101.00891	35.5
102.00960	2.2
102.02429	0.7
103.00645	1.0
104.02618	0.5
104.10741	4.0
109.02885	0.6
113.00839	0.6
115.02425	1.8
119.01933	100.0
120.02036	3.8
121.01617	1.1
124.02470	1.7
125.00009	1.4
127.02377	0.7
127.03918	1.0
131.01915	2.2
132.02060	1.4
132.49419	0.5
133.01674	1.3
133.03416	1.6
137.02969	24.4
138.03091	0.9
138.10262	0.9
142.03516	20.0
143.01909	6.3
143.03618	0.7
144.02039	0.7
145.01671	1.2
145.03532	0.6
147.01456	1.0
147.03133	0.6
151.04622	0.6
155.01886	0.7
156.02144	0.7
157.01706	0.9
157.03525	1.2
160.04599	3.1
161.02971	19.4
161.04306	1.2
162.03098	1.9
163.02695	1.2
166.04984	0.7
168.02017	0.8
169.66188	0.5
170.02940	0.6
173.02982	1.2
174.03244	1.8
175.02753	0.8
179.04037	8.7
180.04178	0.6
184.04721	0.6
184.07343	2.2
184.09750	1.2
185.02963	1.2
186.03168	1.7
187.02811	1.1
203.04079	0.6
204.04240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35208	17.2
69.83781	17.0
71.56620	21.7
73.02953	20.5
75.32090	18.3
101.00891	25.5
104.10754	76.3
105.18629	16.6
119.01228	18.4
119.01925	100.0
137.02957	24.3
143.01921	23.6
165.60188	17.1
184.03679	25.0
184.06419	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	183.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01881	1.7
55.05518	1.7
56.03078	0.7
56.96568	0.6
62.81134	0.7
65.03960	1.5
65.96014	0.7
67.05511	6.7
69.07073	1.7
69.18937	0.7
71.05005	1.2
71.56445	1.0
77.03941	0.9
79.05499	1.2
81.02415	0.6
81.03446	1.1
81.07066	3.8
83.36290	0.6
85.02879	0.9
85.06565	1.1
91.05486	4.1
93.07042	1.1
95.04369	1.4
95.04977	28.8
95.08617	9.4
95.44339	0.7
97.06567	1.2
98.98474	4.2
99.04472	2.1
105.03423	4.7
105.04520	1.9
105.07029	3.7
107.08629	0.9
109.06551	1.0
109.10165	3.2
109.95839	0.7
111.08109	0.9
115.05472	4.7
117.07014	0.8
119.08583	1.4
121.10162	1.4
123.04438	24.6
123.08061	2.9
123.11715	2.2
125.02354	1.5
125.09631	0.8
127.01528	0.8
127.07569	0.9
128.06236	4.9
129.07004	5.8
137.05992	1.2
137.09630	3.0
140.04691	7.9
140.06310	0.9
141.07001	23.4
142.07797	11.9
143.08574	4.6
147.11772	0.9
152.06232	2.5
153.07005	50.3
154.07777	7.1
155.07104	5.1
155.08562	56.9
165.07021	1.8
165.09116	3.2
165.12714	1.1
166.07805	1.9
167.08577	12.6
168.09364	85.2
169.09703	1.9
181.10120	2.8
183.06500	1.3
183.08101	2.6
183.11708	100.0
184.12041	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1171
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
53.03957	0.4
55.05514	1.0
55.93526	0.4
56.96578	0.5
65.03934	0.4
67.05509	1.3
71.39393	0.5
72.93800	0.6
72.98893	0.3
77.03904	0.4
77.66278	0.3
79.05490	1.3
81.07073	0.4
91.05485	4.5
95.04974	2.7
103.05487	0.7
105.03447	0.5
105.07044	4.0
107.55721	0.3
113.96403	1.2
115.05465	3.9
117.07050	1.7
123.04478	2.1
126.98279	0.3
128.06223	4.3
128.95171	0.4
129.07022	7.1
129.08011	0.4
131.08606	0.3
140.04710	1.0
141.07010	24.4
142.07797	12.2
143.08578	5.1
145.06483	0.5
152.05174	0.4
152.06181	1.7
153.07010	35.1
154.07806	6.8
155.08569	66.5
156.08887	1.7
160.88536	0.4
165.07053	3.1
166.07806	1.0
167.08600	9.4
168.09363	69.9
169.09720	2.0
181.10196	2.2
183.08232	7.0
183.11713	100.0
184.12032	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	183.117
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
53.03950	3.2
55.01883	1.3
55.05519	2.1
55.22883	0.4
57.15617	0.4
60.71701	0.5
65.03955	1.3
67.05508	4.0
68.59304	0.5
69.03426	0.6
69.07059	2.9
71.04989	1.1
71.08646	0.5
71.57655	0.9
72.09129	0.5
75.61485	0.5
75.75745	0.5
77.03958	0.9
79.05510	1.4
81.03407	0.6
81.07055	3.8
83.04975	0.8
85.06540	0.7
91.05463	2.5
91.16246	0.4
93.07038	1.2
94.04163	0.5
95.04362	1.0
95.04977	19.0
95.08617	5.2
97.06551	1.5
98.98462	3.6
99.04447	2.8
103.05489	0.8
105.03407	2.6
105.04535	1.2
105.07020	3.2
107.08602	1.6
109.06538	2.1
109.10128	2.5
115.05457	3.7
119.08595	1.4
121.10168	0.9
123.04437	16.3
123.08071	1.9
123.11723	1.7
125.02328	0.7
125.06010	0.9
127.01540	0.9
128.06255	3.0
129.07007	4.6
137.05981	1.1
137.09636	1.5
137.13232	0.8
140.04686	6.1
141.07004	16.1
142.07788	10.3
143.08597	5.4
147.11772	0.8
148.63588	0.5
150.43340	0.5
152.06256	2.1
153.07002	41.1
154.07799	6.1
155.07141	3.2
155.08560	55.3
156.08932	1.1
165.06949	2.5
165.12740	2.5
166.07770	2.3
167.08595	10.1
168.09357	81.0
169.09676	1.3
181.10139	3.3
182.10951	0.5
183.06514	2.4
183.08076	2.6
183.11705	100.0
184.12036	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	183.117
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
59.77595	0.6
68.35751	0.6
70.34651	2.4
70.34998	0.7
71.05019	1.2
77.41740	0.5
91.05495	0.9
95.05003	1.4
99.04472	4.4
105.07041	1.2
115.05446	1.3
121.09148	0.6
123.04459	1.3
128.06242	2.6
129.07042	2.5
141.06982	7.6
142.07793	9.7
143.08588	6.7
152.06238	2.8
153.07013	40.7
154.07729	2.3
155.08563	39.4
165.07008	2.7
166.07738	2.3
167.08578	11.4
168.09361	100.0
169.09711	2.2
181.10208	3.4
182.10849	0.8
183.08145	2.1
183.11711	95.3
184.12061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
50.38402	0.3
50.55132	0.4
51.02383	0.8
52.58796	0.4
53.03955	2.2
53.66735	0.3
55.01861	0.8
55.05511	0.6
57.03432	0.4
57.15667	0.3
57.40714	0.4
65.03930	1.8
67.05513	2.5
69.03417	0.5
69.07052	0.8
69.82686	1.3
69.83087	0.9
71.04980	1.3
71.69178	0.4
77.03922	1.6
79.05502	1.5
81.03413	0.6
81.07056	1.4
83.04976	0.4
85.02921	0.5
91.05474	1.4
93.03407	1.5
93.07070	0.8
94.04200	3.2
95.04977	10.8
95.08594	1.3
97.02913	0.4
97.06542	0.7
98.20768	0.5
98.98444	2.5
99.04432	0.8
105.03398	8.0
105.04500	0.8
107.04959	1.4
109.02892	0.7
109.06522	1.5
109.10139	0.7
110.03668	9.4
111.04473	2.6
119.04919	0.7
119.08611	1.0
122.03656	9.2
123.04443	8.0
123.08054	1.5
124.07619	0.5
125.02417	0.6
125.05999	15.8
127.01510	0.5
133.02861	100.0
134.03189	1.4
137.05986	45.1
137.09636	1.5
140.04720	2.6
141.05522	0.4
141.06911	0.4
142.07736	0.4
147.04439	0.5
151.03923	0.5
153.05490	1.7
153.06914	0.8
155.07050	1.2
155.08574	1.8
165.05495	15.1
165.06898	0.8
165.09181	0.4
168.04285	0.5
168.09404	2.0
183.06604	5.4
183.08054	0.4
183.11668	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	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02387	1.4
53.03950	14.8
55.01877	3.5
55.05503	1.2
56.75501	0.6
65.03942	5.3
67.05505	9.6
69.03434	0.6
70.05463	0.5
71.04984	1.4
71.55618	0.9
77.03941	2.0
79.05501	1.0
81.03431	2.2
81.07063	2.6
91.05468	1.2
93.07036	0.9
95.04973	100.0
95.08606	1.7
95.18060	0.5
96.05309	1.3
97.06544	0.9
98.98486	2.5
99.04485	0.7
101.49040	0.6
102.91919	0.6
105.03405	4.2
105.04523	6.1
105.07027	1.5
107.04986	0.7
108.02105	1.6
109.06509	1.0
109.10136	0.8
110.03665	0.9
111.04470	1.2
115.05463	2.0
119.08572	0.6
121.03996	0.7
123.04435	81.7
123.08046	1.6
123.11731	1.1
124.04768	0.7
125.02350	4.7
125.05960	0.5
127.07542	0.9
128.06177	1.2
129.07014	2.4
133.02882	0.7
137.05936	1.3
137.09642	1.2
140.04694	30.3
141.05438	1.0
141.06987	5.7
142.07756	4.5
143.08549	2.1
151.03891	1.0
152.06252	1.0
152.13634	0.6
153.07001	18.6
154.07803	3.0
155.05801	0.7
155.07031	18.8
155.08553	23.7
165.05641	1.0
165.07002	3.0
165.09105	0.7
166.07785	0.7
167.08566	4.5
168.05663	5.1
168.09351	29.7
181.10098	1.3
183.06509	4.7
183.08054	9.1
183.11693	33.0
184.11972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.02391	1.3
53.03950	14.9
55.01870	3.3
55.05509	4.4
57.07080	1.0
59.05012	0.6
60.97528	0.5
65.03947	5.7
67.05506	18.6
67.45432	0.6
69.03416	0.6
69.07073	7.1
70.64838	0.5
71.04974	0.9
77.03949	3.9
79.05503	1.3
81.03426	2.3
81.07063	12.5
83.08620	6.4
85.06573	0.6
93.03400	0.7
93.07065	1.0
95.04974	100.0
95.08609	22.7
96.05288	0.6
97.02905	1.0
97.06535	0.7
98.98474	0.5
99.04452	1.4
99.08120	0.5
105.03401	1.2
105.04527	5.8
107.08607	1.4
109.06516	1.4
109.10163	26.4
110.03632	0.6
111.04449	0.9
119.08595	1.0
121.10155	1.1
123.04434	77.9
123.08052	1.4
123.11704	7.4
125.02348	4.9
125.09605	0.6
137.09607	0.7
140.04688	31.6
140.10771	0.9
147.11655	0.8
153.07024	0.9
155.07054	18.1
155.08418	1.5
165.09105	0.7
165.12721	0.7
165.16393	2.8
166.08635	0.7
168.09355	1.7
183.06592	3.6
183.09236	1.2
183.11632	2.6
183.13727	1.2
183.17464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0655
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02378	1.2
53.03952	13.6
55.01874	3.4
56.96575	0.5
63.40028	0.5
65.03950	5.6
67.05511	11.1
67.93649	0.4
68.38696	0.4
69.03427	0.9
69.07075	0.7
69.97846	0.4
70.00918	2.1
71.05000	1.8
77.03931	2.4
79.05506	1.6
80.02637	0.8
81.03413	2.6
81.07072	2.9
83.04976	0.6
83.08633	0.5
85.06534	0.6
90.51180	0.5
91.05467	0.5
93.03423	1.1
93.07040	1.1
95.04974	100.0
95.08593	2.3
96.05297	1.2
97.02904	0.7
97.06536	1.3
98.98470	2.2
99.04459	1.5
105.03422	2.5
105.04512	5.3
105.07053	1.7
107.08602	0.8
108.02101	2.0
109.06548	1.0
109.10188	2.0
111.04443	1.1
115.05489	0.9
119.08578	1.0
121.04016	0.9
121.06481	0.6
121.10154	0.8
123.04436	81.0
123.08023	2.5
123.11712	0.7
123.93877	0.5
124.04787	0.7
125.02348	4.9
125.05975	0.8
125.09615	0.8
127.07559	1.8
128.06232	0.6
129.07040	1.1
130.48822	0.5
137.06018	0.8
137.09636	1.8
137.13361	0.5
139.07584	0.5
140.04695	30.5
141.06981	3.7
142.07803	1.4
143.08540	0.6
147.08139	0.6
151.03889	0.8
152.06221	0.5
153.07014	7.3
154.07771	1.1
155.07045	19.5
155.08560	11.0
164.25984	0.4
165.07083	0.7
165.09097	1.2
167.08595	2.2
168.09363	16.0
169.05188	1.0
181.10185	0.6
183.06537	6.0
183.08072	1.5
183.09290	1.1
183.11697	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	183.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65099	0.3
59.00596	0.2
65.91206	0.2
71.20204	0.6
72.03947	0.3
75.06635	0.3
82.01434	0.3
82.99829	2.2
95.04964	0.4
100.02488	0.7
101.00890	31.2
118.03519	1.6
119.01931	100.0
121.02375	0.5
123.04400	0.3
124.02455	3.2
133.03479	0.8
136.04579	0.7
137.02971	23.7
142.03510	29.3
143.01981	0.3
160.04573	15.8
161.02980	7.9
161.04349	0.6
165.05075	0.6
177.00945	0.5
178.05621	2.4
179.04018	8.5
179.05609	0.6
183.06203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
51.69908	0.8
55.01867	1.1
55.05516	6.9
57.03436	1.4
57.07059	2.6
58.02660	0.8
58.02964	33.5
67.05508	20.5
69.07072	62.5
70.06599	3.9
70.07404	0.7
70.35819	1.4
74.06071	1.1
79.05499	5.9
80.90765	0.9
81.07061	17.3
82.06596	1.0
83.04980	1.3
83.08633	7.5
84.08155	8.7
91.05489	5.7
93.07059	11.0
95.04956	2.1
95.08625	7.5
96.08136	0.8
97.06522	5.0
98.06062	2.0
98.09694	2.3
98.97613	1.1
100.07632	6.1
105.07032	13.5
107.08599	17.9
108.05259	1.8
109.06519	3.4
109.10163	46.7
112.07621	2.4
114.09171	12.5
119.08569	1.4
121.10120	2.2
123.08059	0.9
123.11723	8.2
126.09152	11.8
126.12791	1.6
128.10722	0.7
133.10138	30.3
135.11708	20.4
137.13277	1.3
138.12785	21.8
139.13263	0.8
140.10693	1.0
140.15340	0.8
141.06946	1.8
142.07848	0.9
147.11734	5.2
151.11191	9.8
153.07069	3.8
153.12740	13.1
154.08664	2.0
154.15913	1.6
155.08575	4.9
164.14377	2.5
165.06915	0.8
165.12791	3.0
166.07457	1.2
167.08511	1.3
168.09369	8.2
182.15413	100.0
183.11714	9.4
183.15775	2.0
184.80017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03950	1.1
55.01862	2.9
55.05504	4.0
56.96562	2.1
57.06411	0.9
57.07081	21.7
59.04992	3.5
67.05502	2.0
69.03445	2.4
69.07068	4.0
69.51419	7.4
71.04974	1.7
79.05498	10.5
81.03422	7.2
81.07074	6.0
83.04990	49.7
83.08621	1.2
85.02872	1.0
88.57693	0.9
91.05489	5.5
92.05803	0.8
93.07045	10.8
95.04976	19.4
95.08625	1.8
97.02819	0.9
97.05916	1.5
97.06538	28.0
98.20773	2.1
98.97603	12.4
103.05471	2.8
105.07035	6.4
107.04980	8.1
107.08613	11.3
109.06503	1.6
109.10197	1.0
111.04413	1.2
116.97250	1.4
116.98631	12.3
117.07008	2.5
119.08576	4.0
121.06536	6.0
121.10153	18.1
123.08029	1.3
125.06005	62.0
130.07814	3.2
134.99675	8.7
135.08058	2.7
135.11726	6.9
137.06009	1.2
140.00204	1.2
145.10150	12.1
148.05205	1.9
151.03838	1.1
153.06999	1.6
154.08643	3.8
156.90868	1.0
160.21518	1.0
163.11197	100.0
164.11540	2.0
165.07018	9.3
166.07799	12.5
167.08554	1.2
179.08633	1.1
181.05051	2.4
181.06467	3.2
181.08586	5.5
181.10161	21.3
181.12254	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.94748	1.3
53.03930	4.0
55.05496	3.7
58.02938	3.2
59.30949	1.4
65.03928	4.0
65.33530	1.3
67.05173	1.5
67.05504	20.3
69.03406	1.7
69.07041	5.2
70.24496	5.7
79.05077	2.5
79.05495	32.4
80.05003	3.1
81.07062	38.5
82.02913	1.9
83.08587	2.6
86.02405	5.8
91.05453	4.0
93.05768	6.6
94.06532	2.4
95.04961	8.1
96.04466	2.0
97.05239	1.7
97.06514	8.8
98.06035	3.6
98.09679	3.4
98.32412	1.5
106.06578	2.0
107.07310	5.6
108.04461	2.9
108.08124	61.3
109.06520	7.9
110.06095	7.3
110.06690	1.2
118.06522	2.6
121.05209	3.4
122.06018	2.7
124.05157	2.2
124.07588	3.2
125.05999	29.6
126.05525	34.6
126.06434	1.3
126.09142	21.0
134.48373	1.5
136.07581	100.0
138.05449	4.2
141.05476	1.8
147.32996	1.3
153.05354	1.5
153.07877	3.0
154.08641	30.9
164.07074	91.5
182.08096	81.1
183.08456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03945	2.5
55.01870	2.1
55.05506	3.4
56.96566	1.6
57.07080	23.8
59.05000	2.9
65.03953	1.1
67.05503	2.7
69.03431	2.4
69.07061	4.4
71.04981	1.5
71.20120	0.8
71.56852	1.5
79.05499	8.6
81.03415	7.8
81.07069	5.1
83.04986	48.7
91.05459	4.7
93.07056	10.8
93.99432	0.8
95.04972	19.2
95.08622	2.7
97.06534	29.2
98.97575	9.2
99.05567	0.9
103.05462	1.7
105.07050	5.2
107.04939	4.7
107.08593	12.7
109.06480	1.3
111.04460	1.0
111.08105	0.8
116.98630	9.2
117.07016	2.3
119.08607	3.9
121.06522	4.0
121.10152	17.0
123.08068	1.6
125.05998	68.3
130.07837	2.3
134.99663	9.3
135.08073	3.2
135.11710	9.2
143.08604	0.9
145.10123	11.1
153.00710	1.2
153.06946	1.8
154.08669	2.8
158.01285	2.2
163.03911	0.8
163.11191	100.0
164.11497	1.4
165.06996	10.1
166.07780	13.9
176.02580	0.9
181.05031	1.2
181.06471	3.7
181.08644	2.1
181.10156	22.9
181.12257	29.6
182.10777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.79440	0.8
53.03943	1.6
55.01862	1.7
55.05506	4.0
56.96579	1.0
57.03438	1.0
57.06833	1.4
57.07084	21.5
59.05005	2.5
67.05516	2.0
68.94358	0.9
69.03432	2.1
69.07057	3.3
71.04976	1.0
71.15397	1.7
72.43882	0.9
79.05496	10.8
81.03436	4.8
81.07047	6.0
83.04984	45.1
88.95497	0.9
91.05482	5.2
93.07052	10.1
95.04977	16.6
95.08587	1.8
97.06542	23.6
98.97586	10.4
99.05539	1.6
103.05494	2.0
105.07029	7.0
107.04975	6.8
107.08605	13.0
109.06519	1.1
111.04445	0.9
116.98629	9.5
117.07013	1.5
119.08599	4.1
121.06524	5.8
121.09317	1.2
121.10159	16.5
123.08138	1.2
125.06001	64.9
130.07816	1.4
134.99672	6.7
135.08057	2.8
135.11694	7.0
145.10133	10.1
147.45099	1.2
148.05167	0.9
152.06169	2.5
153.00763	1.8
153.05566	0.9
153.07018	2.5
154.08644	2.8
163.11191	100.0
164.11522	2.6
165.06999	11.3
166.07803	16.6
167.08591	1.8
181.05003	1.9
181.06491	24.7
181.08592	2.8
181.10127	27.8
181.12247	30.0
182.08224	1.5
182.10780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.05513	3.7
56.96574	2.2
57.03434	2.4
57.04563	1.9
57.07080	24.2
58.73654	1.4
59.04995	2.8
65.32523	1.3
67.05503	3.4
69.03448	1.7
69.07049	4.2
69.62575	10.0
71.05001	2.0
72.08170	1.7
74.16051	1.2
79.05502	11.0
79.46616	1.1
81.03421	6.6
81.07058	7.2
83.04985	45.5
83.08604	1.3
91.05495	4.6
93.07057	13.1
95.04984	17.8
97.06541	28.4
98.20747	2.2
98.21317	4.5
98.97598	11.9
99.05585	3.8
100.13916	1.3
100.80925	1.4
103.05414	1.9
105.07028	6.2
107.04950	6.2
107.08609	16.4
109.06522	2.7
109.56902	1.3
116.97256	3.0
116.98621	15.1
117.07028	4.0
119.08589	4.0
121.06523	4.8
121.10160	20.0
123.08112	2.0
125.06000	67.1
130.07809	2.7
134.99660	15.9
135.08121	1.7
135.11679	6.8
140.00156	1.7
141.06952	2.1
145.10149	13.0
152.57211	1.3
153.00749	2.3
153.07004	3.0
154.08656	5.9
158.01288	3.3
163.03940	1.5
163.07524	2.3
163.11197	100.0
165.06998	17.9
166.07796	23.2
167.08498	1.7
181.04932	3.0
181.06467	3.2
181.08562	2.5
181.10162	38.9
181.12262	33.7
181.15770	1.5
182.08244	1.3
182.72229	1.2
203.51431	1.3
204.04037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03941	1.4
57.52218	0.3
65.03940	1.2
65.82477	0.3
66.04742	0.4
67.05496	1.0
69.52779	1.1
69.53187	1.4
75.41300	0.4
78.04727	2.0
79.05496	2.7
80.06261	0.6
81.03429	0.7
83.04982	0.3
89.03924	1.5
90.04694	1.7
91.04961	0.7
91.05492	8.1
91.59778	0.4
92.06268	0.5
93.03407	0.6
93.07065	0.9
95.04986	3.0
98.20745	0.7
105.03410	0.9
105.04525	0.4
106.04178	1.7
107.04959	4.3
108.05740	1.2
109.06541	2.8
118.04175	0.6
119.05025	0.4
120.02090	0.4
120.05738	1.3
121.02897	0.6
121.06509	2.6
122.03664	1.1
123.04442	5.3
123.08074	0.4
135.04398	1.9
136.05228	4.2
137.05991	14.2
137.07065	0.7
138.03110	0.6
138.06776	4.7
148.05203	46.9
149.05942	1.7
151.03923	5.9
165.05496	2.3
166.06267	8.1
166.07671	0.4
167.03394	0.7
181.08611	100.0
182.08974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1013
Annotation	9,10-Dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03967	0.9
55.01892	1.0
55.05522	0.4
56.96588	1.1
57.03447	0.7
57.07100	0.8
63.08421	0.4
65.03943	2.7
67.05518	1.2
69.03443	0.6
70.66783	1.5
72.90260	0.5
73.68620	0.4
79.05524	1.9
81.03418	0.6
81.07082	1.1
82.04228	0.9
83.05005	1.5
85.02925	1.4
91.05496	3.2
93.03434	0.9
93.07045	3.1
95.04996	2.2
95.08590	0.6
97.06564	1.4
98.97589	9.9
103.05499	2.7
105.07055	1.1
107.04948	2.3
107.07924	0.6
107.08636	1.7
108.02084	0.5
110.03699	1.1
111.04455	0.6
115.05488	1.2
116.97265	0.7
116.98624	7.2
121.06505	4.8
121.10125	2.9
125.02341	0.7
125.05967	2.8
134.99673	3.6
135.04460	0.5
135.08086	1.3
135.11697	1.5
139.07567	0.5
140.04726	0.9
141.06981	7.0
142.02536	0.6
145.10130	0.9
148.05212	0.9
149.06001	3.0
152.06250	3.2
153.06995	10.8
153.09027	0.9
163.03864	0.5
163.07558	0.9
163.09920	0.6
163.11188	4.5
165.07008	84.7
166.07790	100.0
167.08105	2.8
171.06592	1.1
178.07809	0.9
179.08585	3.5
180.09334	1.1
181.04965	8.2
181.06609	1.7
181.08698	2.8
181.10126	65.7
182.10487	2.2
183.08076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
53.54713	0.8
56.96558	2.7
60.04522	1.0
61.02940	1.3
65.03919	1.0
69.03425	1.8
70.06594	2.5
71.55370	1.0
72.02406	0.8
79.05513	2.0
80.28077	0.8
81.03414	1.9
85.02905	3.1
88.03996	7.1
89.00786	0.8
91.05487	11.2
93.07048	3.2
95.04974	1.9
97.02903	2.5
98.97597	7.2
100.02514	0.9
101.00913	0.8
103.00594	0.8
103.05470	8.6
105.07037	3.2
107.04992	1.7
109.06532	0.9
110.01212	0.8
112.07611	0.9
115.02414	0.8
115.05455	6.3
116.07090	1.5
116.98599	4.8
117.02034	0.9
117.07030	36.3
117.07857	1.9
118.06643	0.8
119.01921	3.0
119.04955	6.9
120.02013	1.0
120.08118	15.6
121.06512	3.6
122.07140	0.9
131.01895	3.2
131.04933	12.5
131.08569	0.7
132.02071	0.9
133.05244	1.7
133.06528	1.1
134.06020	1.6
134.99635	1.7
135.04437	1.2
135.06970	1.2
135.08058	23.1
136.05222	1.5
137.04996	1.6
137.05988	14.5
140.02287	1.7
145.03450	1.3
145.06500	52.6
147.06815	1.4
148.04993	1.0
148.07587	13.4
149.02867	4.4
151.07556	62.7
152.07950	1.3
156.97517	1.5
157.01685	1.8
157.03496	6.5
158.03490	1.7
162.09203	2.3
163.07561	80.1
164.07909	2.2
165.07896	1.4
175.02734	2.5
175.04547	1.5
180.06837	3.9
180.10214	100.0
181.10573	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.01597	0.4
51.02361	0.5
53.03955	4.4
54.04725	1.0
55.01884	3.0
55.02098	0.6
55.05499	1.5
56.36540	0.4
56.96555	1.1
57.03430	1.1
65.03947	34.1
66.04281	0.6
67.05508	14.2
68.02657	0.8
68.99783	1.3
69.03436	4.6
69.07055	1.3
69.65366	3.0
71.01348	0.4
71.05007	0.7
73.30688	0.4
76.26138	0.4
77.03943	0.9
79.05488	4.6
81.03427	2.2
81.07056	1.8
82.00552	1.3
82.03448	0.6
82.04203	15.4
83.04971	1.2
83.08601	0.5
85.02910	20.0
91.05488	12.7
92.06294	0.5
93.03412	5.1
93.07053	9.2
95.01318	0.6
95.04967	8.4
95.08609	1.7
97.02901	2.0
97.06539	7.5
98.97590	5.5
99.04449	0.7
101.02400	0.6
103.05473	5.5
105.03357	0.6
105.04507	1.4
105.07047	1.4
107.04969	5.6
107.08592	3.3
108.02103	7.8
109.06518	1.3
109.10159	0.7
110.03667	14.4
111.04469	6.1
111.08089	0.5
112.04772	0.4
114.03159	0.9
116.98640	4.9
117.07034	0.6
119.04955	1.0
119.08535	0.5
120.05731	1.5
121.02817	1.0
121.04005	0.9
121.05652	1.0
121.06507	11.3
121.10160	2.7
123.00787	4.9
123.04430	2.1
123.08070	1.3
125.02398	0.7
125.05994	8.4
129.05475	0.5
134.99669	1.7
135.04431	2.3
135.06572	0.5
135.08067	3.4
135.11726	1.3
136.05212	0.6
136.07552	0.6
137.02341	2.1
137.05975	2.1
138.03127	8.3
138.06775	1.5
139.03917	0.9
142.02641	8.0
145.10172	0.6
147.04379	1.1
148.05203	3.0
149.06023	3.6
151.03928	1.6
153.05489	2.2
153.06964	1.3
154.08691	0.8
163.03902	2.2
163.07576	4.0
163.11185	1.1
163.14911	1.0
164.07054	0.5
165.07050	2.0
166.06265	5.5
166.07790	2.2
170.02118	0.9
171.06537	17.0
181.04976	100.0
181.08569	20.1
181.10204	3.2
181.12198	2.1
182.05304	1.8
182.08015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1022
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
52.69793	0.6
54.41790	0.6
55.01849	0.8
55.05509	1.2
56.35063	0.6
56.96553	2.8
57.03429	1.0
58.35270	0.7
60.73209	0.7
67.05495	0.8
67.71252	0.6
69.03420	2.7
70.06587	0.8
71.04998	0.7
71.18914	1.1
71.19255	0.9
79.05483	1.9
79.18991	0.7
80.05023	0.9
81.03388	0.9
81.07072	0.8
84.08140	1.0
85.02902	2.5
91.05489	11.1
93.07058	4.1
95.04963	2.8
97.02879	2.0
98.97601	9.8
103.05473	7.8
105.07039	4.4
106.06525	1.0
107.04949	1.3
108.04458	2.3
109.06529	2.7
110.06007	1.0
112.07607	1.4
112.55736	1.0
115.05438	2.8
116.98627	5.3
117.07030	15.3
119.04961	7.7
120.05345	1.2
120.08117	19.0
121.06517	2.4
128.98654	0.9
131.04935	13.4
133.05260	1.3
134.06004	1.6
134.99663	1.5
135.08063	22.6
136.05182	2.1
137.05988	11.3
138.09137	1.3
143.01894	0.8
145.01724	1.9
145.05392	1.5
145.06493	22.0
148.05051	1.5
148.07588	16.9
148.08725	0.6
151.07552	71.2
152.07040	2.0
162.05458	0.8
162.09192	4.5
163.02768	1.0
163.07558	52.0
165.07849	2.7
175.02856	1.1
175.04492	0.7
180.06689	2.3
180.10210	100.0
181.02608	1.5
181.10635	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
53.03986	0.7
56.96586	0.7
69.57341	3.5
71.77143	0.6
73.86398	0.6
79.05503	1.3
80.04990	0.9
91.05486	11.3
93.07054	4.8
95.04956	2.6
98.97604	1.9
103.05470	10.2
105.07032	3.2
106.06560	0.7
108.04479	1.0
109.06516	2.3
116.98602	1.2
117.07045	2.1
119.04955	8.1
119.07298	0.6
120.07247	1.2
120.08109	21.2
121.06537	1.9
123.08064	1.9
124.07590	0.7
131.04933	17.3
133.05299	3.0
133.06139	0.6
134.06009	0.7
135.08060	21.7
136.05228	2.1
137.05978	11.0
145.06476	4.8
148.05066	1.1
148.07585	19.1
151.07552	85.5
152.07922	1.7
162.09174	1.2
163.07553	40.5
164.07928	0.8
165.07860	3.0
180.10208	100.0
181.10564	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	180.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69793	0.6
54.41790	0.6
55.01849	0.8
55.05509	1.2
56.35063	0.6
56.96553	2.8
57.03429	1.0
58.35270	0.7
60.73209	0.7
67.05495	0.8
67.71252	0.6
69.03420	2.7
70.06587	0.8
71.04998	0.7
71.18914	1.1
71.19255	0.9
79.05483	1.9
79.18991	0.7
80.05023	0.9
81.03388	0.9
81.07072	0.8
84.08140	1.0
85.02902	2.5
91.05489	11.1
93.07058	4.1
95.04963	2.8
97.02879	2.0
98.97601	9.8
103.05473	7.8
105.07039	4.4
106.06525	1.0
107.04949	1.3
108.04458	2.3
109.06529	2.7
110.06007	1.0
112.07607	1.4
112.55736	1.0
115.05438	2.8
116.98627	5.3
117.07030	15.3
119.04961	7.7
120.05345	1.2
120.08117	19.0
121.06517	2.4
128.98654	0.9
131.04935	13.4
133.05260	1.3
134.06004	1.6
134.99663	1.5
135.08063	22.6
136.05182	2.1
137.05988	11.3
138.09137	1.3
143.01894	0.8
145.01724	1.9
145.05392	1.5
145.06493	22.0
148.05051	1.5
148.07588	16.9
148.08725	0.6
151.07552	71.2
152.07040	2.0
162.05458	0.8
162.09192	4.5
163.02768	1.0
163.07558	52.0
165.07849	2.7
175.02856	1.1
175.04492	0.7
180.06689	2.3
180.10210	100.0
181.02608	1.5
181.10635	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85625	0.3
61.71564	0.2
66.78600	0.3
69.03381	0.3
69.65511	1.5
74.77097	0.2
79.03656	0.2
98.20692	0.2
98.97591	0.4
107.04928	0.3
112.07602	0.8
116.98592	0.5
120.08122	0.4
121.06488	0.5
134.10442	0.3
134.99599	0.3
135.20107	0.3
137.05949	0.8
162.09160	1.3
163.00006	0.3
165.07011	100.0
166.07368	2.1
178.07806	2.2
179.08566	23.4
180.09340	58.7
181.06667	0.3
181.09787	1.2
194.08754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02374	2.3
53.03956	7.4
55.01878	12.3
55.05271	1.7
55.05518	30.1
57.03419	3.7
58.71151	1.1
59.04998	1.1
65.03932	5.1
67.05508	100.0
68.05836	1.2
69.03439	1.8
69.07066	15.9
71.04986	2.9
71.11880	1.8
71.12212	1.9
79.05496	74.8
81.03420	23.0
81.07059	98.4
82.07308	1.4
83.04985	38.2
83.08621	18.2
85.06529	2.0
89.24001	1.2
91.05486	62.5
93.06469	2.6
93.07049	47.2
95.04972	13.5
95.08614	72.0
96.08945	1.3
97.06533	31.7
97.10155	3.3
99.08066	2.0
103.05492	2.1
105.04491	1.4
105.07036	40.7
107.08613	14.2
108.05662	1.4
109.06528	10.8
109.10154	15.3
111.08103	8.7
113.09659	8.5
117.07038	2.7
119.04961	6.9
119.08588	38.2
121.06530	1.8
121.10152	6.8
123.08066	7.5
123.11762	1.6
131.08575	2.2
133.06520	3.0
133.10135	25.7
135.08092	1.4
135.11691	7.9
137.05978	2.2
137.09602	2.2
138.09082	1.3
146.03752	1.6
147.04413	13.4
151.07570	3.7
151.11220	1.5
161.05972	4.7
161.09656	2.2
161.13301	19.8
162.09149	1.4
164.06665	2.4
168.04263	1.3
178.07776	3.1
179.02007	1.4
179.03360	7.3
179.06699	4.7
179.08742	13.1
179.10658	3.3
179.14319	57.3
180.10164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	5.5
55.01873	13.5
55.05513	20.5
56.96568	30.3
57.03432	4.2
57.07063	3.8
59.04988	3.8
62.13947	1.2
65.03938	3.2
67.05510	33.3
67.71794	1.3
69.03419	5.0
69.07076	24.9
71.04994	7.8
71.56161	2.5
79.05495	44.6
81.07063	71.2
82.07396	1.9
83.04987	8.8
83.08626	7.7
85.06532	5.5
89.03886	1.6
91.05486	65.5
92.05810	2.0
93.07050	74.8
94.07352	1.9
95.04971	19.7
95.08612	62.7
96.08949	1.5
97.06532	14.0
97.10196	2.1
99.08110	2.1
103.05470	4.3
105.07035	100.0
105.80602	1.2
107.04961	2.5
107.08603	30.6
108.04501	1.5
108.05720	1.7
109.06521	11.0
109.10173	17.4
111.08072	4.0
112.07615	2.5
115.00695	3.5
115.05489	2.7
117.07027	4.4
118.04192	2.0
119.04089	2.8
119.04950	41.4
119.08585	80.1
120.08166	1.8
121.04105	1.7
121.06510	7.4
121.10149	72.7
122.10479	1.7
123.04486	7.7
123.08077	26.4
123.11711	2.5
126.05174	5.2
128.06160	1.3
131.08582	4.8
133.01727	2.2
133.02846	1.9
133.06506	8.7
133.10136	64.9
135.04565	2.0
135.05681	6.5
135.08038	4.5
135.11705	28.4
136.05261	6.8
137.02750	4.0
137.06015	7.0
137.09619	13.7
137.13252	3.8
138.07004	1.8
141.07512	6.8
146.03632	3.8
147.03258	3.0
147.04419	56.9
147.07510	9.3
149.02348	3.7
149.05954	2.8
150.08038	5.1
151.03915	2.7
151.07533	9.7
151.11165	6.7
152.07001	1.6
155.03815	3.1
156.08038	28.8
156.58189	4.0
158.58226	3.3
161.05989	14.4
161.09616	9.3
161.13266	84.2
162.09138	4.3
162.13684	1.6
164.06616	5.4
165.06990	1.4
165.08551	2.6
167.58855	6.3
178.07823	6.6
179.03401	15.5
179.06926	23.7
179.08664	33.1
179.10684	14.3
179.14331	87.4
180.06577	1.6
180.10258	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	179.1432
Annotation	(4aS-trans)-4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-2(3H)-Naphthalenone
Peak:m/z	Relative Intensity
53.03936	3.3
53.99842	1.0
54.63799	1.2
55.01868	10.5
55.05299	1.1
55.05518	11.8
56.96564	5.6
57.03419	3.4
57.07064	4.9
59.04987	3.4
65.03932	2.5
67.05176	2.1
67.05509	31.8
69.03425	7.0
69.06724	1.7
69.07069	25.5
71.04992	5.9
71.08624	1.4
71.57120	1.8
73.01136	1.2
77.90947	1.0
79.05496	19.0
80.05041	1.3
81.03421	1.4
81.07059	46.4
83.04986	21.9
83.08613	5.6
85.06528	4.0
88.43163	0.9
89.00614	1.2
90.20027	1.0
91.05485	42.0
93.07043	25.6
95.04978	17.9
95.08611	73.5
97.06532	6.4
98.98473	1.5
103.05473	3.3
104.06223	1.9
105.07035	43.4
106.06569	1.2
107.04942	3.8
107.08586	17.7
108.05708	1.1
109.06516	25.4
109.09505	0.9
109.10155	25.8
110.10544	1.2
111.08071	1.9
112.07603	2.5
115.05437	2.3
117.07015	4.9
118.04128	1.5
119.04951	24.7
119.08578	36.7
120.08072	1.3
121.06516	8.4
121.10152	13.6
123.04437	11.0
123.08076	44.4
123.11706	13.2
131.04910	2.1
131.08563	2.9
132.05707	1.5
133.02867	2.0
133.06496	8.0
133.10135	30.3
134.05980	1.1
135.04427	2.4
135.08057	3.4
135.11674	8.5
136.02174	1.6
136.05211	8.5
136.08833	1.6
137.06075	7.5
137.09621	14.1
137.13235	4.0
138.05701	1.4
138.06764	24.7
138.09103	1.3
143.08577	1.8
146.03612	2.8
147.03239	2.5
147.04410	43.1
147.08044	4.5
148.08852	2.7
149.05997	3.0
151.03903	2.8
151.06596	1.0
151.07562	31.1
151.11186	100.0
151.14835	4.6
152.11569	2.4
156.05977	1.4
156.08026	2.8
159.11774	1.4
161.05980	12.8
161.09601	5.9
161.13271	23.6
162.09154	3.4
163.07622	1.1
164.04025	1.9
164.06738	6.3
164.08211	6.2
165.07008	7.4
165.08563	3.6
178.07761	5.2
179.03412	11.3
179.06870	13.3
179.08694	26.7
179.10675	20.1
179.14319	62.7
180.09149	1.6
180.10423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
53.03950	1.5
55.01871	1.3
57.03450	0.3
58.29480	0.2
65.03977	0.5
67.05499	1.4
69.03432	0.3
69.58252	1.6
69.87213	0.3
77.03922	0.4
79.05531	0.9
80.06326	0.3
81.07076	0.9
83.70585	0.2
91.05487	6.0
93.07082	1.1
95.04974	16.1
95.08628	0.5
103.05481	0.7
104.06270	1.3
105.04538	0.9
105.07050	2.1
107.04388	0.3
107.04972	1.7
107.08553	0.4
108.05758	0.9
109.06532	1.3
109.10164	0.4
115.05515	0.7
117.07021	1.3
119.04247	0.3
119.04958	1.7
119.08603	2.0
119.54780	0.2
121.06522	4.1
122.03677	0.9
123.04437	24.5
123.08089	1.0
124.05286	0.4
131.04945	1.1
132.05708	2.0
133.03542	0.6
133.06525	1.6
133.10164	1.5
133.20313	0.2
135.04422	1.2
135.08049	0.6
136.05202	8.7
137.05948	1.0
137.09598	0.6
138.06767	100.0
139.07115	1.3
147.04404	2.5
147.08052	3.9
148.08839	1.7
149.05977	3.3
151.07552	26.6
152.07841	0.9
161.05978	0.5
161.09552	0.3
161.13266	0.6
162.09119	0.5
164.06903	0.5
164.08334	8.8
165.08640	0.3
179.03375	0.7
179.06958	1.4
179.08800	1.0
179.10657	8.9
179.14233	0.5
180.08035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03937	1.6
55.01859	2.4
55.05497	3.0
55.97931	0.8
57.03423	1.4
59.05003	3.7
59.34024	0.8
65.03955	1.5
67.05512	6.7
69.03404	2.5
69.07078	1.8
70.63502	2.4
76.54608	0.8
79.05498	8.1
81.03416	1.0
81.07064	10.4
83.04985	2.1
91.05488	28.5
93.07049	23.6
95.04981	6.6
95.08601	6.3
103.05515	1.2
105.07041	35.3
107.04980	1.9
107.08607	38.4
109.06538	5.2
109.10172	5.7
111.03254	0.7
112.73103	0.8
114.70116	0.8
115.05448	1.9
117.07063	0.9
118.07827	1.1
119.04964	19.4
119.08580	9.1
121.06509	6.8
121.10194	3.9
123.04452	7.0
123.08067	5.1
123.11717	2.8
131.08575	3.2
132.05669	0.9
133.06538	4.2
133.10143	82.9
134.10463	1.3
135.08084	2.1
135.11685	4.0
137.05997	6.2
137.09612	6.2
143.08556	1.1
146.07281	2.2
147.04428	26.3
151.03926	1.9
151.07503	1.7
151.11186	3.0
161.05969	3.5
161.09639	22.0
161.13295	2.5
164.06976	0.9
178.07770	2.8
179.03439	7.0
179.07011	9.0
179.08745	5.4
179.10683	100.0
179.14162	7.8
180.11095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0705
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03933	1.2
55.01878	33.6
55.05499	1.0
56.16054	0.6
65.03952	3.7
67.05481	2.2
70.60689	2.0
71.04971	0.7
79.05489	4.6
80.06279	1.5
81.07033	2.2
88.37152	0.8
90.95483	0.7
91.05488	47.7
92.05800	0.8
93.07035	2.0
94.04178	1.2
95.04979	5.7
95.08591	3.0
103.05489	4.7
105.03390	0.7
105.07036	22.3
106.07336	0.9
106.09637	0.7
106.92002	0.7
107.04971	3.4
107.08600	2.5
108.05730	1.5
109.06544	1.7
109.10162	1.6
110.42373	0.8
115.05463	3.6
118.04167	7.5
119.04955	66.3
119.08572	3.0
120.05271	0.8
121.06539	1.0
121.10159	1.1
123.04436	5.8
123.08096	2.2
131.04916	1.2
133.05487	1.2
133.06503	22.5
133.10147	4.3
135.04396	2.2
136.05214	10.2
137.06056	3.5
137.09616	1.6
143.06017	0.7
146.03642	16.3
147.04422	100.0
148.04779	2.2
151.03954	1.6
151.07605	3.7
161.05995	56.0
161.09644	1.6
161.13242	1.6
164.04709	3.5
179.03436	2.9
179.07063	39.4
179.08714	2.8
179.10667	2.4
179.14311	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	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17409	1.1
60.17732	1.1
70.72671	4.1
95.86398	1.0
100.02509	4.0
101.00886	29.0
115.02454	3.7
118.03477	1.4
119.01928	100.0
120.02035	2.3
133.01712	1.8
133.03493	17.5
137.02962	25.6
138.96411	1.1
142.03517	1.4
147.04404	1.5
151.04539	5.2
156.05109	8.8
157.03452	1.7
161.02986	21.3
174.06149	2.3
179.04037	28.5
179.06409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
51.02373	0.5
53.00299	0.6
53.03946	1.8
55.01880	3.4
55.05523	0.9
57.03442	2.4
65.03948	8.8
66.04720	0.8
67.05511	5.0
68.99818	0.7
69.03445	1.0
69.07055	1.1
71.04992	0.7
71.56034	0.6
77.03888	0.4
79.05496	6.8
80.06296	2.3
81.03445	0.3
81.07065	4.5
83.04996	0.5
83.08607	0.5
85.02927	0.8
89.03923	0.5
90.04707	0.6
91.05486	100.0
91.77572	0.4
92.05833	1.0
93.03413	1.3
93.07054	5.3
94.04204	0.8
95.04975	4.3
95.08620	3.6
97.06519	0.7
103.05462	2.9
105.03413	0.5
105.04518	0.6
105.07034	11.3
107.04975	2.0
107.08568	2.6
108.05756	5.1
109.06509	3.2
109.10171	1.5
111.04432	0.8
115.05476	0.6
118.04159	3.7
119.04952	67.9
119.08590	4.0
120.05311	1.1
120.08112	0.6
121.06501	3.4
121.10155	2.0
123.04463	2.1
123.08078	8.8
133.06503	5.5
133.10147	6.0
134.03641	0.4
135.04396	0.6
135.11682	1.2
136.05194	2.9
137.05981	3.6
137.09618	0.9
146.03667	0.7
147.04420	20.5
149.06006	0.7
149.76811	0.4
151.07552	11.6
151.11182	0.7
151.33530	0.4
161.05963	3.0
161.09590	2.8
161.13268	2.7
162.09167	0.9
164.04654	0.7
164.06613	1.6
164.15018	0.4
164.40385	0.4
165.05251	0.4
165.07027	1.1
178.07816	1.6
179.03468	2.2
179.06993	9.7
179.08725	8.2
179.10667	3.2
179.11879	1.1
179.14313	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	179.0704
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
52.16299	0.7
53.03958	1.8
55.01881	4.6
55.05510	2.9
56.96578	1.5
57.03443	1.9
63.69005	0.7
64.69214	0.7
65.03944	10.5
67.05512	9.3
69.03433	1.8
69.07058	3.9
71.04993	1.4
71.56387	1.5
78.04713	0.9
79.05067	0.9
79.05508	11.2
80.05840	0.8
80.06277	3.5
81.07071	9.2
83.04984	1.9
83.08620	1.1
91.05489	100.0
92.05815	1.2
93.07068	8.7
95.04989	6.7
95.08617	8.4
97.06547	3.1
103.05485	5.6
105.03391	1.1
105.04555	0.9
105.07044	15.5
107.04958	1.4
107.08604	3.4
108.05735	5.2
109.06544	4.7
109.10155	1.9
110.64406	0.7
113.96415	0.8
115.05471	1.8
118.04163	4.8
118.06532	0.7
119.04955	72.0
119.08589	11.3
121.06515	5.2
121.10154	2.6
123.04437	8.1
123.08079	10.0
133.02994	0.8
133.06502	9.0
133.10127	8.8
134.09654	0.8
135.04431	1.7
135.08029	2.1
135.11725	1.5
136.05212	8.0
137.06000	5.1
137.09644	2.4
138.06769	5.8
146.03638	1.3
147.04420	39.4
149.06027	1.9
151.03966	1.0
151.07559	18.9
151.11159	1.9
161.05989	4.7
161.09641	2.7
161.13292	4.5
162.09161	2.0
163.08755	0.9
164.04668	2.3
164.06670	2.2
164.08221	1.0
165.07008	0.9
178.07799	1.9
179.03459	3.9
179.07022	15.1
179.08766	8.2
179.10674	6.3
179.12018	1.7
179.14287	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	178.1229
Annotation	mephedrone
Peak:m/z	Relative Intensity
53.19048	0.3
55.01883	0.4
55.05519	0.5
56.54520	0.3
56.96566	1.1
59.93104	0.3
61.02920	0.4
63.21239	0.4
65.03965	0.4
65.58357	0.3
65.74860	0.3
68.81248	0.3
72.50526	0.3
73.02933	0.4
79.05484	1.8
80.05049	0.5
81.07072	0.4
88.02223	1.5
90.04272	1.0
91.05486	4.5
92.05841	0.6
93.05784	0.7
93.07062	0.7
95.04984	0.6
95.08603	0.4
98.20718	0.8
98.97591	3.5
103.05487	0.7
104.05026	0.4
104.05753	0.5
105.07035	2.2
106.06589	0.9
107.08601	0.5
108.04505	0.5
115.05476	0.8
116.98623	1.5
117.03398	0.5
117.05785	0.5
117.07047	1.5
118.03735	1.4
118.06561	9.4
118.96770	3.7
119.04964	2.1
119.07335	10.1
120.08141	0.4
123.04461	1.1
132.04457	2.0
132.08109	1.4
133.02863	0.5
133.06473	0.6
133.08832	0.4
133.99066	0.5
134.09665	59.2
134.99696	0.6
135.06827	0.5
135.09979	0.7
136.03963	0.5
137.05988	3.8
145.02869	0.5
146.03227	1.5
146.99785	0.4
147.04396	1.1
150.05466	1.0
150.09152	0.6
151.03920	0.4
151.07495	0.5
154.96474	1.1
158.99646	0.7
160.11186	1.8
161.05977	1.0
162.09172	2.4
163.06310	4.2
163.09920	1.0
174.49185	0.4
177.98033	1.2
178.03392	0.7
178.04773	2.0
178.08704	13.6
178.12282	100.0
179.03439	3.1
179.06976	0.9
179.09021	0.4
179.12801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40599	0.3
67.05518	1.1
70.82791	0.9
79.05500	0.9
79.58741	0.3
80.05017	0.3
80.05828	0.4
81.07076	0.5
88.02256	0.5
89.03945	0.4
91.05478	1.7
92.05840	0.5
93.07041	0.7
94.07378	0.8
95.04992	0.4
95.08651	0.6
103.05497	0.6
104.05801	0.7
105.07076	0.9
106.07378	0.4
107.04987	1.0
107.08600	0.6
108.08130	1.0
108.08929	0.5
117.03400	0.3
118.03765	0.4
118.06618	0.6
119.04972	1.1
121.06528	0.8
121.10134	0.5
122.06041	0.4
122.06854	1.0
122.09690	0.6
122.10533	1.0
123.08049	0.5
133.10155	0.6
134.06018	1.1
135.06815	4.7
135.08070	1.0
136.05222	0.6
137.05914	0.3
146.03296	1.1
146.06024	0.5
147.04404	0.5
147.06889	0.3
147.08069	1.2
149.07962	0.8
150.06384	0.5
150.09113	1.9
151.03929	0.8
151.07526	2.2
160.07562	0.7
161.05972	0.4
161.07912	0.4
162.05576	0.4
163.06299	46.6
163.07495	2.8
164.06593	1.0
177.07529	0.4
177.09073	0.7
178.08636	100.0
179.03410	0.4
179.07043	1.0
179.08963	1.7
179.10666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0864
Annotation	Methyl indoline-6-carboxylate
Peak:m/z	Relative Intensity
59.03185	0.3
60.72955	0.3
63.32016	0.3
63.93126	0.3
66.83282	0.3
67.05514	0.7
70.20683	0.2
78.25888	0.3
79.05521	0.4
81.07058	0.5
81.93279	0.3
85.02911	1.6
88.02238	0.6
90.04258	0.4
91.05487	1.5
93.07067	0.3
94.06566	0.8
94.07394	0.3
95.04967	0.5
95.08643	0.3
102.60296	0.3
105.03441	0.3
105.07027	0.5
107.04972	0.5
108.08157	0.4
118.03728	0.6
118.06556	0.7
119.04932	1.4
119.08562	0.5
121.06500	0.4
122.10500	0.3
123.04434	1.1
133.02878	0.6
134.06026	0.9
135.04424	0.6
135.06804	4.9
136.05229	0.4
136.07539	0.5
146.03366	0.4
146.06000	0.7
147.04414	0.7
148.07549	0.3
149.07945	1.0
150.06467	0.5
150.09114	0.6
151.03972	0.7
151.07579	1.6
160.07568	0.5
160.12128	0.4
162.05476	0.6
163.06299	49.4
164.06616	1.0
176.14743	0.3
177.07455	0.6
178.08638	100.0
179.03395	2.5
179.07138	0.3
179.08942	2.0
179.10536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.38443	1.0
53.03936	2.9
55.01870	3.9
55.05519	10.6
56.96564	2.0
57.07071	2.1
63.02386	2.1
63.14735	1.0
65.03939	3.0
67.05509	10.2
69.03436	13.1
69.06729	1.2
69.07078	15.5
71.04976	1.5
71.28514	1.5
77.03967	1.3
78.04704	3.4
79.05503	18.4
81.03409	2.5
81.06587	1.5
81.07059	23.5
83.04987	6.7
83.08645	5.3
85.06542	2.2
85.09624	1.2
89.03924	45.1
91.05486	35.1
93.07050	45.8
95.04977	8.2
95.08612	35.1
95.09227	1.1
97.06524	3.6
97.10175	2.3
98.98478	41.7
103.05476	6.4
105.07034	23.0
106.04173	6.3
107.04965	13.9
107.08607	44.1
108.08946	1.7
109.06537	7.1
109.10162	7.7
115.05476	6.2
116.06206	2.7
117.03385	74.2
117.06226	1.5
117.07026	21.7
118.03689	1.4
119.04903	3.1
119.08597	16.1
121.06516	57.0
121.10148	43.6
129.07004	5.2
130.07785	2.3
131.04903	7.7
131.08589	23.4
133.06514	3.3
133.10130	12.1
134.03654	9.9
134.07306	2.8
135.04451	7.5
135.08069	16.1
135.11679	16.1
137.05916	1.1
144.09346	7.9
145.02852	80.8
145.06523	4.1
146.03247	1.3
146.07278	20.1
147.04404	1.9
147.08081	5.8
149.02371	3.1
149.06001	29.4
149.09631	50.6
149.13263	10.2
150.09930	1.9
157.10078	1.3
159.08055	3.9
159.10442	2.5
159.11707	34.1
161.09668	1.9
162.03168	3.0
162.06781	6.1
162.10423	8.6
163.03937	3.0
163.06235	3.4
163.07535	1.7
177.05502	30.9
177.07614	2.3
177.09132	37.9
177.12762	100.0
177.16362	25.2
178.08588	5.7
178.13046	2.9
178.52339	1.0
186.05553	3.0
196.63484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.02400	0.4
53.03945	2.1
55.01871	3.6
55.05296	0.5
55.05518	5.4
56.07893	0.5
57.03426	1.2
59.04982	0.8
60.54017	0.4
65.03944	0.9
67.05522	2.6
68.53039	0.4
69.03436	38.9
69.07076	4.6
71.04988	2.0
71.55399	0.6
77.03918	0.7
78.04723	1.0
79.05504	6.7
81.03407	1.0
81.07074	5.8
83.04984	9.2
83.08640	1.2
85.06554	0.9
86.18311	0.4
89.03924	7.4
91.05492	13.8
93.07055	22.3
94.07389	0.7
95.04967	3.5
95.08630	4.3
97.06542	1.4
98.98473	6.8
98.99062	0.9
100.67196	0.5
103.05491	3.9
105.04523	0.9
105.07041	10.6
106.04176	1.1
107.04993	2.6
107.08605	21.6
109.06519	2.4
109.10167	1.0
115.05462	1.9
116.06226	0.9
117.02611	0.9
117.03394	12.1
117.07035	8.3
118.96789	0.6
119.04963	0.8
119.08590	14.1
121.06518	19.4
121.09323	0.9
121.10151	11.9
123.08090	1.0
128.06180	0.5
129.07037	4.2
130.06529	0.5
130.07814	0.7
131.04968	2.4
131.07349	0.8
131.08583	9.5
133.06525	1.0
133.10146	7.6
134.03667	2.3
135.04456	2.3
135.06960	0.9
135.08061	11.3
135.11699	10.5
142.07843	0.6
144.09357	7.8
145.02864	13.3
145.06549	0.8
146.07220	0.6
147.04326	0.8
147.08055	4.7
148.07588	8.1
149.02377	1.4
149.05986	7.9
149.09630	2.0
149.13280	3.5
157.10159	1.1
159.08145	1.0
159.11708	25.6
160.07607	2.2
162.03104	0.8
162.06752	0.5
162.10435	5.0
163.03989	1.3
163.06303	11.8
175.11258	0.5
176.07210	3.8
177.05560	9.8
177.07841	11.3
177.09216	5.6
177.12764	100.0
178.08662	16.1
178.13144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03942	1.1
55.01864	0.5
55.05519	1.4
57.07047	0.2
58.61572	0.2
61.48194	0.2
65.03940	0.2
67.05511	1.2
69.07067	1.9
69.64816	1.4
74.24065	0.3
77.03931	0.3
78.04704	0.8
79.05491	2.1
81.03411	0.3
81.07066	3.3
83.05000	0.4
83.08646	0.7
86.54669	0.2
89.03923	4.0
91.05486	6.8
93.07056	6.7
95.04980	1.4
95.08612	3.6
97.06548	0.3
98.20840	0.4
98.98483	1.9
103.05455	1.6
105.04536	0.3
105.07034	2.3
106.04190	2.9
107.04990	0.3
107.08607	4.4
109.06531	0.7
109.10161	0.7
115.05458	0.5
117.03395	6.8
117.06998	1.1
119.08593	1.5
119.19957	0.2
121.06516	100.0
121.10131	5.3
122.06821	1.5
123.08075	0.3
125.99068	0.2
129.07072	0.3
131.04970	0.6
131.08578	3.0
133.10118	1.2
134.03644	1.4
135.04422	0.7
135.08043	1.6
135.11725	1.6
144.09338	0.6
145.02864	8.5
146.03174	0.3
146.07285	1.5
147.07970	0.3
149.05983	4.9
149.09613	0.6
149.13326	1.1
159.08102	0.7
159.11725	3.7
162.03156	0.9
162.06859	0.3
163.03951	0.5
163.06250	0.6
177.05475	4.1
177.09138	3.4
177.12776	10.7
177.16405	3.3
178.08723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03955	1.9
55.01861	2.4
55.05518	10.7
56.96554	0.9
57.07069	1.6
65.03937	1.0
67.05515	11.4
67.97764	0.8
69.03419	2.6
69.07077	15.3
71.05007	1.1
71.35694	0.7
71.50555	0.7
77.03935	1.1
78.04708	2.9
79.05055	1.4
79.05500	19.3
81.07064	26.9
83.04993	3.4
83.08620	8.9
85.06550	1.5
88.02187	0.8
89.03926	21.5
91.05485	22.2
93.07052	39.1
95.04983	6.6
95.08613	63.8
96.08953	1.3
97.06525	2.3
97.10169	3.3
98.98473	11.5
103.05489	4.4
105.04547	1.1
105.07034	15.6
106.04182	7.0
107.04971	2.6
107.08598	46.5
108.08883	0.8
109.06560	3.5
109.10171	9.0
115.05460	2.3
116.06224	1.0
117.03391	31.6
117.07018	11.2
119.04915	1.0
119.08588	11.7
121.02917	1.1
121.06516	19.0
121.10152	55.5
122.10411	0.9
123.08114	1.0
123.11732	0.9
124.05209	0.9
129.07008	2.8
130.07735	1.1
131.04912	3.6
131.08577	19.8
133.06551	1.6
133.10144	6.8
134.03619	6.2
134.07285	1.4
134.10483	0.8
135.04446	4.0
135.08069	8.5
135.10762	0.7
135.11711	14.8
144.09355	6.6
145.02853	41.0
145.06483	2.0
146.03192	1.0
146.07292	6.1
147.08069	1.5
148.07629	1.4
149.02353	2.5
149.05986	17.3
149.09621	3.5
149.13278	5.7
157.10149	2.2
159.08087	3.6
159.11702	38.4
160.12019	1.1
162.03136	2.6
162.06755	1.1
162.10428	1.2
163.03922	1.6
163.06241	3.5
177.05489	16.4
177.07732	1.7
177.09163	14.8
177.12764	100.0
177.16374	33.0
178.08629	8.6
178.13118	2.1
186.05473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.94011	0.5
53.03955	1.1
55.01878	0.5
55.05514	1.9
67.05513	1.7
68.01257	0.5
69.07076	2.2
70.61881	1.9
78.04708	0.7
78.58588	0.4
79.05494	3.4
81.07071	3.2
83.08620	1.2
89.03911	2.5
91.05485	13.5
93.07042	6.9
95.04972	1.1
95.08616	5.9
98.98470	1.6
102.04691	0.9
103.05470	6.9
103.85118	0.5
104.06284	0.6
105.07017	3.2
106.04189	0.9
107.04959	1.8
107.08588	6.9
109.06530	1.8
109.10162	2.1
115.05464	8.8
116.06277	2.8
117.03391	3.3
117.07023	16.7
119.04952	3.3
119.08606	2.0
121.06513	26.7
121.10148	11.3
130.04140	1.0
131.04935	15.1
131.08569	1.5
132.05710	1.8
133.06502	4.9
133.10126	0.7
134.03600	1.0
134.07310	4.1
135.04422	0.8
135.08043	1.6
135.11673	2.8
137.05989	1.6
144.05707	1.2
145.02866	4.2
145.06502	8.7
145.07552	0.6
146.07272	70.0
147.04402	3.4
147.08086	6.9
149.05984	2.8
149.09619	3.8
159.11746	1.3
161.05966	1.7
162.06758	12.6
177.05624	2.2
177.09113	100.0
177.12657	2.8
177.16393	5.2
178.08350	0.6
178.09528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	Cinnamyl acetate
Peak:m/z	Relative Intensity
51.02378	0.6
53.03946	0.6
55.01870	1.3
55.84919	0.6
56.96570	3.9
57.03442	1.7
65.03953	1.1
67.05510	0.8
69.03429	2.0
69.07058	0.9
70.52499	0.6
71.10786	0.7
71.11129	1.3
73.02914	0.8
78.04706	1.4
79.05501	2.2
81.03430	1.6
81.07094	1.2
83.04993	1.0
85.02912	1.2
88.02200	0.6
89.03917	16.3
90.04273	0.7
91.05485	14.5
91.06017	1.2
93.07035	5.4
95.01322	0.8
95.04983	2.0
95.08610	1.6
97.02908	1.4
98.97591	9.7
98.98473	14.4
103.05459	5.1
105.07024	2.3
106.04206	1.7
107.04969	2.7
107.08597	2.8
111.04453	0.8
115.05457	24.3
116.06287	1.4
116.98625	7.8
117.03384	27.2
117.07019	96.9
118.07372	1.6
118.96751	1.7
119.04958	1.4
119.08569	1.2
120.08100	0.7
121.02857	1.5
121.06502	7.4
121.10144	4.4
124.05207	0.6
128.38373	0.5
129.06958	0.7
131.01889	0.6
131.04933	4.3
131.08606	3.1
132.04495	0.7
132.08080	0.8
133.06480	1.3
134.03622	5.2
134.07297	0.7
134.99649	6.0
135.04443	3.5
135.06795	0.8
135.08067	0.9
135.11703	0.8
135.25392	0.6
136.07556	0.6
137.05986	1.2
145.02853	33.8
145.06487	100.0
146.03210	0.8
146.06897	1.9
148.07562	2.4
148.35461	0.7
149.02321	5.8
149.05989	15.1
149.07129	1.4
149.08356	2.7
149.09615	3.1
149.94585	1.0
155.06041	1.7
159.04384	1.2
159.08015	1.5
159.11661	1.2
160.07571	1.4
162.03117	2.6
162.05377	0.8
162.06783	3.6
163.03891	1.8
163.06271	10.4
177.02028	1.1
177.05487	18.3
177.07837	3.4
177.09099	55.4
177.12453	2.8
177.16351	2.7
177.98079	0.8
178.04984	5.2
178.08623	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.59673	0.6
53.03932	3.0
55.01863	2.1
55.05515	5.8
60.42998	0.6
63.02370	1.2
65.03938	1.7
67.05507	5.1
68.99818	0.8
69.03409	2.2
69.07070	8.4
71.39873	0.9
76.44127	0.7
78.04728	5.8
79.05501	12.0
80.02380	0.7
81.03438	0.7
81.07063	11.2
83.04963	1.1
83.08630	4.0
89.03925	49.7
91.05489	26.3
91.05968	0.4
91.06075	0.8
93.07053	25.4
95.04978	5.6
95.08051	1.1
95.08617	15.4
97.06501	1.9
97.10143	1.1
98.98475	8.9
101.09286	0.6
102.04698	0.9
103.05482	11.5
105.04543	1.0
105.07044	15.7
106.04183	13.0
107.04962	3.8
107.07868	1.4
107.08604	27.5
109.06529	2.9
109.10162	4.0
113.09842	0.7
115.05437	4.8
116.06244	1.6
117.03389	84.5
117.07031	11.6
118.03687	1.3
119.04950	2.1
119.08602	7.9
121.06516	21.4
121.10152	27.3
121.66476	0.6
122.10496	0.7
123.04439	5.2
124.05270	0.9
129.04445	0.8
129.06998	2.2
131.04944	8.3
131.08574	14.1
133.06537	2.5
133.10139	5.7
133.93697	0.7
134.03651	12.3
134.07242	1.5
135.04459	7.9
135.08063	5.2
135.11708	9.0
144.09355	2.2
145.02858	100.0
145.06499	2.5
146.03201	2.9
146.07288	17.9
147.04439	2.3
147.08072	3.4
149.02348	2.2
149.05997	35.6
149.09639	5.9
149.13281	5.8
150.06407	0.9
158.05940	1.0
159.04417	1.3
159.08058	3.6
159.11703	12.6
162.03145	3.4
162.06828	4.4
162.10393	0.9
163.03914	2.6
163.06303	2.4
176.06183	1.0
177.05501	45.0
177.06740	2.3
177.09117	33.3
177.12762	31.1
177.16402	15.0
178.06029	1.0
178.08643	4.7
186.05527	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02372	0.9
53.03950	8.8
55.01865	3.4
55.05512	8.1
58.64801	0.8
65.03940	3.2
67.05509	7.4
68.99786	1.5
69.07072	10.5
70.93788	1.8
77.03918	4.0
78.04716	2.9
79.05060	1.2
79.05499	16.8
81.07066	14.9
83.08621	7.6
89.03924	18.0
91.05487	38.8
92.05801	0.9
93.04459	0.9
93.07050	55.8
94.44521	0.9
95.04967	14.2
95.05547	0.9
95.08052	1.6
95.08617	23.1
97.10169	1.7
98.98473	4.6
103.05478	41.9
105.03380	1.3
105.04545	4.3
105.07049	7.5
106.04180	8.7
106.04878	1.1
107.04980	5.6
107.08604	35.4
108.08155	1.0
109.06581	1.3
109.10170	7.9
115.05464	1.2
117.03392	33.2
117.07012	1.9
119.04930	2.1
119.08595	4.6
121.06519	100.0
121.10148	40.4
121.11032	1.6
122.06841	2.0
131.04950	3.8
131.07388	1.2
131.08574	4.8
131.09395	0.8
132.04442	1.5
132.08119	1.5
133.10143	2.4
134.03645	7.2
134.05949	1.0
135.04437	4.7
135.07019	1.1
135.08070	6.4
135.11700	13.1
143.05365	0.9
144.09364	1.4
145.02853	39.6
147.04424	5.1
147.08025	2.1
148.05157	2.1
148.07587	7.6
149.02382	2.1
149.05992	37.6
149.09648	2.0
149.13271	4.7
150.09126	1.3
157.10112	1.1
159.04443	1.5
159.05536	6.9
159.11702	5.9
160.03929	2.4
160.07597	5.4
161.90979	0.8
162.03101	1.2
162.06761	0.9
162.48705	0.9
163.03983	1.8
163.06296	11.0
163.07549	1.8
176.07112	2.8
177.05508	26.1
177.06773	0.9
177.07948	12.5
177.09187	4.7
177.12779	9.4
177.16399	27.2
178.08640	17.3
178.10017	1.3
186.05334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1032
Annotation	O-(L-Norvalyl-5)isourea
Peak:m/z	Relative Intensity
53.03931	0.7
55.01867	0.8
56.96573	0.8
57.03432	1.1
59.98970	0.5
60.05368	0.7
60.05655	14.0
61.02917	1.0
63.85751	0.5
67.05495	1.5
68.05034	0.5
69.03438	2.5
69.07053	0.6
70.06600	17.7
70.20461	0.5
71.05000	45.1
71.06915	2.0
71.54218	0.7
72.08127	0.6
73.02914	1.7
74.06069	0.5
81.03415	1.4
84.04506	1.1
84.08149	1.0
85.02908	2.1
85.06542	2.8
86.06049	0.6
87.04440	0.6
88.07644	3.7
94.02633	0.6
94.06562	1.4
94.07134	0.5
95.04990	0.7
96.08132	3.3
97.02901	3.0
98.06068	1.8
98.97593	1.2
99.04460	3.6
101.00887	2.0
102.00951	1.2
103.00662	0.8
106.51011	0.5
112.07620	5.3
112.08785	0.9
113.00849	2.7
113.07172	0.7
114.09179	100.0
115.09517	1.4
116.07100	1.2
116.98568	0.6
117.05504	5.8
119.01951	2.9
120.02029	2.8
121.01692	0.7
127.03895	0.6
128.07143	0.6
128.98682	0.7
130.08710	2.9
130.09773	58.1
130.12276	5.2
131.01898	8.9
131.02795	0.5
132.02100	0.8
132.03479	0.6
133.03448	1.0
134.03601	1.7
134.08142	7.5
138.03186	0.5
143.01941	1.4
144.13855	0.7
147.05052	1.0
149.02982	1.4
152.04753	0.7
154.03571	2.3
158.08202	4.0
159.07689	1.4
161.03012	1.2
171.01425	1.3
171.05066	1.4
176.04944	2.7
176.09200	72.8
176.10390	40.2
176.12827	3.9
177.09464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0919
Annotation	Calystegin B2
Peak:m/z	Relative Intensity
60.05651	4.4
67.05508	0.9
70.06596	4.8
70.87978	0.9
71.05000	14.7
72.08157	0.4
73.45525	0.3
78.33298	0.4
81.97703	0.4
84.04503	1.4
85.02916	0.3
85.06539	1.0
87.04455	0.5
88.07635	1.2
91.89579	0.4
93.77987	0.4
94.06568	0.7
96.08133	3.0
98.06056	1.7
99.04470	1.3
100.68690	0.5
111.32375	0.4
112.07613	3.9
114.09174	100.0
115.09504	1.2
116.07102	0.7
117.05509	2.4
129.83667	0.4
130.08685	1.5
130.09766	19.1
130.12271	2.0
131.01904	0.6
132.02133	1.5
134.08127	3.1
145.06529	0.5
154.29314	0.4
158.08125	3.2
159.07674	0.5
176.09198	69.9
176.10358	11.0
176.12813	1.7
177.09532	0.9
198.94817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0708
Annotation	2-Methylquinoline-3,4-diol
Peak:m/z	Relative Intensity
53.03943	0.5
53.04691	0.3
55.05507	0.5
55.61828	0.3
56.15819	0.4
56.96574	0.3
57.93572	1.7
57.93799	0.3
61.01141	0.7
65.03924	0.4
66.78400	0.3
67.05492	0.5
69.03414	0.8
69.07053	0.3
70.06573	0.9
71.04984	1.3
71.55592	0.4
72.08151	0.3
72.93759	0.3
75.94585	1.0
79.05495	0.5
80.05010	0.4
81.03399	0.5
81.07039	0.6
82.39979	0.3
84.08130	0.4
85.01113	0.5
87.02713	0.6
88.07606	0.3
89.03925	2.2
91.05466	1.6
92.04996	0.4
92.05814	0.3
93.07063	0.6
93.95653	0.7
95.04989	0.7
96.04486	0.7
97.02918	0.5
98.96153	0.5
98.97569	1.1
98.98463	4.0
103.02123	0.3
103.05457	0.6
105.07013	1.1
106.06554	0.3
106.07351	0.5
107.04945	0.9
107.08559	0.5
110.06035	0.6
112.02174	1.2
112.07601	0.4
114.09167	1.8
116.97232	11.9
116.98589	0.8
117.03370	4.0
117.07011	0.8
119.04888	0.4
119.08569	0.8
120.04446	0.4
120.08073	1.1
120.08854	0.4
121.02885	0.4
121.06512	0.9
121.10119	0.6
130.06535	1.4
130.08730	0.3
130.09743	1.0
130.12285	0.3
131.04921	0.6
131.08542	0.7
131.99536	2.6
132.04485	0.5
133.05241	12.6
133.06261	0.6
133.10124	0.6
134.03645	0.9
134.05992	0.9
134.10448	0.5
134.95854	0.8
134.99625	0.4
135.04427	0.7
137.46910	0.3
145.02856	4.5
145.06519	0.7
146.06055	0.4
148.03944	0.7
148.07570	2.0
148.96181	1.0
149.02351	0.7
149.05988	2.5
152.96942	5.2
157.97545	0.4
158.05998	0.5
158.08157	0.4
159.08009	0.4
159.11798	0.5
161.04724	37.8
162.03125	0.7
162.05043	0.9
166.17636	0.4
170.98007	0.9
175.98570	4.3
176.07072	100.0
177.05499	2.6
177.07495	1.7
177.09129	1.6
177.12761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
55.06780	0.3
56.05032	1.2
56.96556	0.9
57.93567	0.3
60.05645	1.8
61.01151	1.0
67.05520	1.8
68.05032	0.5
69.03436	1.0
69.07076	17.1
70.06596	12.6
70.74642	1.1
71.04996	4.2
71.06932	1.0
73.02932	0.6
74.06083	0.9
75.02711	1.3
82.98598	0.4
84.04510	44.1
84.08189	0.5
85.02904	0.7
85.04807	0.6
85.05292	7.0
88.07629	1.0
89.03925	0.5
94.06544	0.6
95.04970	2.1
97.02919	0.5
98.06065	7.2
98.97582	2.6
103.02300	0.3
110.05999	0.4
112.07613	100.0
113.08440	6.5
114.09191	2.2
116.97231	2.1
116.98569	1.8
117.03375	0.7
117.05532	0.6
121.01637	0.4
123.04461	0.7
129.03802	0.5
130.06532	0.7
130.09778	5.1
130.12280	4.5
131.01935	0.8
131.04942	0.5
131.06876	0.9
131.99567	0.5
132.04373	0.5
133.05290	2.5
134.03635	0.4
134.08130	0.8
134.95885	0.4
145.02832	1.0
149.05998	0.5
152.96979	0.8
153.05733	0.4
155.04597	0.4
158.06297	0.7
158.08084	0.5
159.06378	1.4
161.04726	5.6
175.98531	1.2
176.07269	28.8
176.09024	1.0
176.10379	4.9
177.05420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03957	1.5
55.05513	7.9
65.03950	0.9
67.05493	5.2
69.07079	13.2
70.67259	2.8
79.05491	9.0
81.07062	68.9
83.08604	3.4
91.04617	1.1
91.05488	26.9
93.07054	13.1
95.04992	1.9
95.08614	25.4
98.98453	2.7
98.99044	1.0
103.05495	1.8
105.07037	61.5
105.23746	0.9
107.08593	18.7
109.10165	1.6
115.05435	2.2
117.07046	6.8
119.08589	74.9
121.06516	4.8
121.10131	1.7
128.06204	5.2
129.07013	17.2
131.08597	8.8
132.09337	2.9
133.10138	75.1
134.10513	1.1
142.07787	2.4
145.10100	5.0
146.10867	2.2
147.08101	2.5
147.11714	11.7
155.06065	1.3
157.10144	2.1
160.08818	1.3
160.12479	3.4
160.71666	0.9
173.13263	2.8
175.07578	6.0
175.11360	6.5
175.14833	100.0
176.15236	2.4
192.93042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.0
67.05500	2.7
69.06726	1.5
69.07077	21.1
70.61466	2.6
73.60936	0.8
79.05492	3.0
81.07065	12.0
83.08643	5.2
88.54851	0.9
91.05489	15.0
93.07067	4.9
95.08611	10.2
98.98457	1.9
103.05479	1.1
105.07042	34.5
106.07268	1.0
107.08610	8.5
117.07050	4.3
119.04976	1.7
119.08593	92.4
120.08924	0.9
121.10170	2.7
131.07767	1.0
131.08578	6.6
133.10143	78.4
134.10379	1.0
137.70039	0.8
145.10129	7.2
146.10941	1.9
147.11708	15.0
160.12466	4.6
173.13280	2.8
175.07515	1.8
175.14844	100.0
176.15152	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05512	10.0
63.82659	0.9
67.05520	5.4
69.06721	1.2
69.07073	14.2
70.08585	1.9
70.09000	2.7
70.61063	0.9
79.05496	11.2
81.07063	72.3
81.57619	0.9
82.07389	1.5
83.08623	1.4
91.05489	27.6
93.07050	15.6
95.08616	31.1
98.98478	8.5
103.05490	1.7
105.07043	68.5
106.07336	1.4
107.08600	21.0
115.05475	1.2
117.07040	7.6
119.04950	1.4
119.08591	99.8
120.08889	2.4
121.06458	1.2
121.10102	3.2
129.07022	1.6
131.08578	7.1
132.09315	3.3
133.10143	85.9
134.10580	1.4
142.07823	1.7
145.10156	5.3
146.10921	3.5
147.08116	1.1
147.11708	14.1
157.10162	1.2
160.05276	1.2
160.08922	1.1
160.12474	3.6
173.13300	1.8
175.07501	1.8
175.11414	6.1
175.14842	100.0
176.15207	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.92472	1.0
51.56836	1.1
51.82915	1.1
55.05511	8.9
57.07056	1.1
67.05495	3.1
69.06790	1.2
69.07078	14.7
70.56379	3.3
73.42950	0.9
79.05479	4.8
81.07064	22.8
83.08610	4.1
91.05486	20.2
93.07042	11.3
95.08617	16.6
98.98484	4.3
104.79280	1.1
105.07038	49.0
107.08601	11.7
117.07022	5.3
119.08592	97.4
120.08904	1.2
121.06477	1.5
121.10149	3.8
127.39365	1.1
128.06227	1.2
129.06979	2.2
130.07387	1.1
131.08574	8.4
131.38791	1.1
132.09341	1.3
133.10143	93.2
134.10472	1.2
145.10138	5.1
146.10878	2.6
147.08101	1.5
147.11708	17.2
160.05098	1.5
160.12476	3.6
173.13269	1.2
175.07491	3.6
175.11275	3.7
175.14836	100.0
176.15167	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.40906	0.4
55.05520	2.2
65.03946	0.6
67.05508	1.3
69.07085	2.6
69.70699	1.6
69.71104	0.9
70.33056	0.4
79.05505	1.8
81.07079	4.3
81.07545	0.6
83.08628	0.7
86.53209	0.4
91.05487	7.9
91.06022	0.8
93.07037	3.0
95.08605	4.2
98.20773	0.5
98.98467	3.1
104.73872	0.5
105.07040	20.5
107.08608	3.2
115.05452	0.6
117.07018	2.8
119.08591	36.2
120.08896	0.7
121.06478	2.0
121.10130	1.0
122.48322	0.4
128.06293	0.6
129.06995	2.4
131.08586	4.5
132.09383	2.0
133.10141	100.0
134.10469	1.6
139.46970	0.4
142.07803	0.7
145.06544	0.5
145.10179	1.0
146.10916	0.9
147.08052	1.4
147.11694	7.1
155.06065	0.4
157.06473	0.6
157.10146	1.0
160.12485	0.8
175.07555	1.9
175.11221	4.0
175.14838	32.2
176.07097	0.7
176.15172	0.8
182.21884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03949	1.2
55.05514	8.5
55.51197	0.7
57.07073	1.5
61.44713	0.6
67.05500	4.3
69.07076	19.4
69.84519	2.1
69.84927	1.4
79.05497	4.3
81.07061	17.9
83.08633	4.0
84.90913	0.7
87.51612	0.7
91.05483	14.9
93.07042	7.6
93.45238	0.6
95.08612	13.2
98.21412	1.1
98.98514	0.7
103.05450	1.5
104.06258	0.8
105.07039	40.3
107.08601	9.1
115.05499	1.0
117.07048	4.6
119.08588	95.2
121.10162	2.6
131.08585	6.4
132.09354	1.5
133.10139	100.0
134.10495	2.0
135.11725	0.8
145.10144	7.1
146.10857	2.3
147.11697	14.4
160.12483	3.9
173.13246	2.6
175.14836	88.9
176.15218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.8
57.07066	1.7
67.05502	4.0
69.07076	16.9
71.07028	2.9
79.05502	6.6
81.07062	19.9
83.08623	3.5
91.05484	19.0
93.07047	8.9
95.08611	12.9
98.98479	4.1
103.05450	2.6
105.07043	39.4
107.08624	9.9
115.05466	17.6
117.07006	5.5
119.08590	91.1
121.10136	2.9
124.49866	1.2
128.06183	1.8
129.07014	5.3
131.08546	9.8
132.95853	1.4
133.10139	100.0
143.04942	26.7
144.05667	1.4
145.10139	7.6
146.10919	2.4
147.04469	1.3
147.08067	2.7
147.11694	14.1
148.13690	1.3
157.10101	1.3
160.05211	9.3
160.12486	3.3
171.68709	1.2
173.13260	2.3
175.07558	19.1
175.14841	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.35482	0.6
53.03939	1.3
55.05512	8.4
57.07078	1.3
65.03934	1.2
67.05508	5.8
69.06718	1.1
69.07070	15.3
69.39487	4.8
69.39864	0.6
77.03938	1.1
79.05506	8.2
81.07062	39.3
83.08611	2.9
86.90735	0.5
87.60381	0.5
89.03931	0.6
91.05483	30.9
93.07050	13.4
95.04983	0.9
95.08614	23.7
98.98484	7.9
103.05486	1.6
105.07036	57.0
106.07382	1.1
107.08601	15.6
109.10131	1.2
115.05457	4.5
117.07025	6.6
117.24844	0.6
118.07803	1.1
119.04972	5.4
119.08588	100.0
120.08905	1.1
121.10124	2.0
129.07002	2.1
131.08574	9.8
132.05661	0.7
132.09320	1.6
133.10138	96.0
134.10471	1.2
142.07800	1.5
143.04935	1.6
145.10114	5.8
145.36749	0.6
146.10904	3.9
147.04413	2.0
147.08025	1.4
147.11702	17.1
157.10149	1.5
158.10895	0.7
160.05194	2.6
160.12500	2.9
173.13274	1.8
175.03896	1.6
175.07578	4.5
175.11337	2.5
175.14838	94.3
176.15176	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1193
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.93904	0.5
56.96562	2.5
60.05651	38.2
67.31693	0.4
68.05035	0.5
70.06596	100.0
71.04992	1.6
71.55627	0.6
72.08165	4.7
84.08142	4.9
88.07581	0.7
93.45469	0.6
97.07699	0.6
98.06094	0.7
98.97590	1.9
111.52986	0.5
112.08751	4.4
114.10289	0.9
115.08746	1.2
116.07101	27.1
116.98619	0.9
119.01908	1.0
130.08685	2.0
130.09753	13.4
130.12219	0.6
133.03487	0.5
142.54744	0.9
143.04626	0.6
150.99194	0.9
151.55338	0.7
157.10847	1.3
158.09262	7.8
175.11919	24.9
184.96039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03935	1.6
55.05513	9.4
65.03927	1.0
66.84715	0.9
67.05512	5.6
69.07076	16.1
69.60909	4.4
78.59335	0.9
79.05491	6.9
81.07062	24.8
82.41328	1.0
83.08621	3.4
91.05483	20.1
93.07047	9.0
95.08611	17.9
98.98472	2.9
103.05470	2.1
105.07040	52.3
107.08599	14.9
115.05437	2.0
117.07018	5.5
119.08591	99.8
120.08912	1.4
121.10140	2.0
129.06978	1.7
131.08572	12.1
132.09360	2.0
133.10136	72.9
134.10443	1.5
141.55829	1.0
142.07790	1.2
145.10107	5.9
146.10916	4.3
147.11687	21.3
157.10158	1.4
160.12505	2.3
164.75458	1.0
173.13272	1.6
175.07617	1.9
175.11226	3.2
175.14838	100.0
176.15199	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03941	0.5
55.05499	1.2
56.96555	1.5
57.45762	0.3
59.30035	0.3
65.03957	0.4
67.05511	1.8
69.03426	1.1
69.07071	1.7
70.37006	1.2
79.05502	1.8
81.07042	3.1
83.90211	0.4
91.05487	9.3
93.07050	2.0
95.08624	2.1
98.98469	6.5
103.05450	0.5
105.07034	17.3
107.04948	0.7
107.08596	2.9
111.45672	0.4
115.05452	1.0
116.08533	0.3
117.07050	2.7
119.04947	0.3
119.08586	27.9
120.08914	0.4
121.06512	7.9
128.06241	1.4
129.07037	4.3
131.04951	0.8
131.08589	5.3
132.05704	1.0
133.06497	4.6
133.09286	0.5
133.10133	13.9
135.08086	2.0
141.07030	0.7
142.07770	5.4
145.06490	8.3
145.10170	2.0
146.07294	6.1
147.06985	0.8
147.08066	10.2
147.11702	11.0
151.53838	0.5
155.06116	0.4
157.06525	2.2
157.10123	5.4
159.08046	1.6
160.05176	0.8
160.08847	26.5
161.05414	1.0
161.09157	0.6
172.56157	0.3
173.09538	0.9
175.07790	7.7
175.11192	100.0
175.14772	11.3
176.07176	0.5
176.11540	2.2
183.11697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01880	2.4
55.05512	1.7
56.96576	0.6
67.05502	1.3
69.07069	2.4
71.41625	0.5
72.95025	0.5
79.05495	2.6
81.07054	3.8
83.08615	0.5
91.05487	35.0
93.07034	3.1
95.04977	1.4
95.08624	2.5
98.98476	8.7
103.05475	3.6
104.06261	0.7
105.07040	18.6
107.04967	0.7
107.08604	2.3
107.79873	0.4
112.13006	0.5
115.05466	5.4
116.06251	5.9
117.07037	5.4
119.08591	27.1
121.06511	100.0
122.06856	1.5
127.05455	0.6
128.06224	10.9
129.07016	42.3
130.07817	1.3
131.04973	0.8
131.07587	1.1
131.08578	22.1
132.05746	1.6
133.06522	1.8
133.10138	14.1
135.08081	1.1
142.07802	2.9
145.06488	9.0
145.10121	1.2
146.07289	0.9
146.10919	0.5
147.08061	21.1
147.11682	7.6
152.97641	0.5
153.05736	0.7
155.06049	1.5
157.06519	6.4
157.10106	3.1
160.05304	0.7
160.08846	9.3
160.12439	0.7
175.07567	58.7
175.11189	30.6
175.14822	14.6
176.07979	1.1
176.11552	0.5
176.15192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0868
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
51.02375	0.7
52.91153	0.4
55.01876	0.9
55.05496	1.4
56.96571	3.2
57.03429	0.9
57.93565	0.6
59.04996	0.4
60.05654	19.4
61.02916	0.9
65.03925	0.6
65.32557	0.4
67.05488	1.3
68.69516	0.4
69.03440	2.5
69.07060	1.8
69.64004	0.4
70.06596	54.0
70.82333	1.1
70.95849	0.7
71.04994	3.8
71.06922	0.5
72.08158	3.0
72.93782	1.4
73.02912	1.2
73.06532	1.0
74.06084	0.5
74.23515	0.4
81.03391	0.7
81.07061	0.7
82.02594	0.4
82.02950	3.7
82.54309	0.4
83.04988	1.0
84.04510	2.9
84.08138	2.4
85.02907	3.2
86.09711	1.2
87.00844	0.7
87.04444	0.7
88.07640	0.5
90.94844	0.9
91.05484	2.0
93.05756	0.6
94.06577	6.1
95.04939	0.5
97.02889	3.5
98.06052	0.9
98.97591	2.9
98.98470	13.8
99.04448	0.6
101.00843	0.6
102.96869	0.9
103.02439	0.7
103.05422	2.0
104.04994	4.2
105.07018	1.9
107.08601	0.4
109.02893	0.6
110.97539	0.6
111.04433	1.5
112.07608	8.6
112.08720	2.3
113.08425	0.7
114.09176	0.6
115.02347	0.5
115.03946	0.8
115.05456	2.3
115.08723	0.8
116.07104	13.9
116.07926	0.8
116.97208	1.6
116.98582	1.4
117.05574	0.5
117.07023	0.7
119.01890	1.8
119.08575	3.1
120.97952	0.6
121.01677	0.7
121.06509	0.9
127.03924	1.2
129.07010	1.7
130.06537	96.9
130.09764	9.9
131.01945	0.5
131.04895	0.4
131.06848	1.3
131.08530	0.6
132.04459	86.7
132.95848	3.7
133.03477	1.6
133.04826	1.5
133.10138	2.1
133.95959	0.4
134.08202	0.4
144.97881	0.5
145.03471	1.3
147.08064	1.0
147.09149	0.9
147.11736	0.8
150.96886	1.5
152.96870	0.6
154.71657	0.5
155.04764	0.5
156.06844	1.7
157.07628	35.5
158.06023	100.0
158.09239	3.2
159.06369	1.9
160.05197	1.3
161.03253	0.4
161.04701	2.2
174.96924	0.5
175.04494	2.1
175.06116	1.2
175.08713	18.2
175.11961	11.1
175.14816	1.9
176.07118	3.8
176.08983	0.4
176.10321	2.8
186.04427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03938	1.1
55.01875	3.2
71.15715	1.5
74.03528	0.7
79.05492	1.4
81.07030	1.2
91.05487	34.8
92.05836	1.6
98.40961	0.8
98.98476	1.7
103.05466	3.6
105.07044	7.3
115.05474	5.2
116.06242	8.1
117.07004	3.6
119.08595	8.5
121.06517	100.0
122.06847	2.2
128.06235	15.2
129.07022	50.4
130.07797	1.4
131.08586	26.7
132.05742	0.9
133.06506	1.3
133.10118	1.5
145.06485	8.5
147.08066	21.8
147.11714	0.9
155.06013	1.2
157.06511	8.4
175.07570	61.8
175.11227	2.8
175.14816	1.0
176.07935	1.6
177.00023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03936	2.3
55.01865	3.3
55.05503	4.6
56.96551	1.3
65.03924	1.4
67.05478	2.5
69.07071	7.7
70.01354	2.4
70.01753	2.1
79.05498	6.7
81.07063	14.3
83.08638	1.9
91.05486	77.9
93.07066	7.2
95.04961	1.7
95.08617	8.5
98.98468	21.1
101.44900	1.4
103.05465	6.6
104.06277	1.4
105.07035	63.5
107.04916	1.2
107.08598	7.8
115.05472	9.8
116.06242	13.3
116.99491	1.2
117.07034	10.6
119.04939	3.5
119.08585	91.9
121.06510	90.2
121.07803	1.7
122.06872	1.5
128.06229	24.6
129.07011	100.0
130.07793	1.9
131.04930	1.6
131.08574	62.6
132.05714	3.6
132.09299	1.3
133.06477	3.9
133.10136	71.0
135.08092	1.2
141.07034	1.6
142.07761	10.7
145.06490	12.7
145.10199	5.2
146.07266	2.0
147.08054	32.7
147.11687	16.7
147.73845	1.2
148.08380	1.1
155.06064	3.3
157.06490	17.6
157.07637	1.4
157.10107	10.6
160.05226	1.2
160.08865	10.5
160.12492	2.1
175.07568	71.6
175.11192	49.3
175.14830	56.3
176.07036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1127
Annotation	methyl N-acetylvalinate
Peak:m/z	Relative Intensity
53.03936	0.8
55.05505	1.6
56.96570	5.5
57.03464	0.7
60.04527	0.9
60.05648	1.1
67.05505	1.2
68.05032	2.8
69.03435	2.5
70.06596	16.1
70.20242	1.8
71.04993	5.8
72.08165	1.2
73.02921	1.4
79.05496	2.8
81.03413	1.1
81.05808	1.8
82.06572	0.5
84.08133	0.9
85.02908	3.1
87.04500	0.7
91.02332	1.6
94.06566	3.1
96.08135	69.9
97.02903	3.6
97.08427	0.7
97.08974	0.6
98.09686	0.7
98.97591	1.1
100.07638	0.7
100.99155	1.6
101.00901	0.9
102.02498	0.4
102.05550	3.5
103.02414	0.5
110.06039	0.4
110.09694	6.3
110.97527	0.7
112.02827	0.4
114.05547	1.1
114.09171	100.0
115.09514	1.5
116.07093	0.6
119.01894	1.5
124.30742	0.5
125.03651	0.6
127.03952	0.6
128.07123	0.6
128.10727	21.6
131.00200	0.8
133.03433	0.7
145.01735	1.5
154.03842	1.1
156.10207	35.0
161.06622	0.7
163.02783	4.9
163.04402	4.4
174.11269	62.7
175.11670	1.3
179.07709	0.6
181.03844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03944	3.4
53.74162	1.0
55.01864	2.2
55.05509	8.2
56.96556	4.8
65.03927	2.8
65.97639	1.0
67.05218	1.2
67.05515	12.1
69.03416	1.3
69.07074	8.2
71.28795	1.8
77.03876	1.2
77.10751	1.1
79.05494	15.3
81.07064	36.1
83.04953	1.1
83.08606	2.3
84.08909	1.0
91.05486	100.0
93.07056	25.0
95.04945	4.9
95.08615	24.9
98.98474	13.8
103.05489	6.8
104.06250	2.4
105.07040	71.9
107.04980	1.5
107.08604	16.1
109.10189	2.4
115.05478	9.6
116.06266	13.7
117.07014	12.3
119.04954	4.7
119.08591	89.4
121.06514	95.3
121.10135	2.8
122.06827	2.3
128.05278	1.4
128.06235	25.5
129.07019	97.9
130.07782	4.4
131.08580	69.2
132.05687	3.0
133.06512	4.1
133.10138	62.6
141.03818	1.7
141.07056	1.3
142.07782	12.6
145.06503	9.0
145.10156	5.2
146.10904	2.0
147.04399	1.6
147.08054	36.2
147.11693	30.2
148.11951	1.2
152.04889	1.3
155.06021	2.2
157.06520	19.5
157.07745	1.9
157.10138	11.1
160.05188	2.9
160.08838	3.8
160.12468	1.6
161.05392	1.9
161.55598	1.2
162.06166	1.4
173.13251	1.6
175.04056	1.1
175.07561	78.5
175.11203	32.6
175.14839	94.2
176.15103	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03933	0.8
55.05516	10.6
55.93512	1.0
56.01159	0.5
57.07077	1.1
59.04993	1.6
67.05513	3.7
69.03422	0.8
70.52098	2.1
70.95865	1.4
72.93792	8.7
76.02245	0.6
76.40481	0.5
79.05494	1.4
81.07069	2.8
83.04988	11.8
87.04475	1.4
89.02384	0.7
90.94838	7.1
91.05486	9.4
93.07043	1.3
94.72936	0.5
95.04971	0.7
95.08619	0.7
101.06029	8.4
103.03345	0.8
103.05451	1.0
105.07040	8.7
108.95950	0.7
111.04451	13.1
111.98518	0.7
113.06025	1.5
113.96445	0.7
115.05471	2.5
116.06252	1.7
117.07037	7.3
119.07790	1.1
119.08591	13.2
127.07545	1.4
127.09517	1.0
128.06216	1.0
129.05521	3.5
129.07004	8.5
130.07834	2.9
131.08577	58.7
132.95857	2.0
133.10143	2.8
142.07733	0.9
143.08572	20.9
144.09361	7.3
145.06471	2.5
145.10139	30.5
146.06059	0.7
146.10492	0.6
149.96127	3.2
150.96884	2.1
155.05981	0.8
155.07074	8.7
155.08316	1.0
155.97409	0.9
156.06866	0.6
156.09378	1.6
158.07285	1.0
158.10924	29.5
159.11331	0.7
167.97163	2.4
171.11705	3.5
173.05911	1.4
173.08211	11.0
173.13275	100.0
174.13617	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.65348	0.7
53.03957	1.5
53.52226	0.7
55.05516	6.0
57.07074	1.1
59.04998	1.0
59.80798	0.7
60.41443	0.6
61.30994	0.6
65.03941	1.4
67.05501	4.7
71.55726	0.8
76.02242	1.2
79.05490	5.2
81.07062	5.3
81.26805	0.6
83.04989	5.6
85.06580	0.7
87.04452	0.7
90.90396	1.5
91.05488	34.5
92.05811	0.7
93.07065	3.3
95.04979	1.3
95.08622	1.1
101.06013	4.3
103.03313	1.5
103.05482	4.3
105.03413	0.7
105.07040	33.4
107.04933	0.8
107.08561	1.2
111.04449	8.1
115.05463	26.8
116.06268	6.4
117.07030	47.4
118.07288	0.9
119.08592	15.1
127.05464	2.7
127.07592	0.8
128.06219	10.7
129.05586	3.2
129.07018	24.7
130.07814	18.3
131.08582	94.7
132.08945	1.8
133.10126	1.6
135.92941	0.7
142.07790	1.5
143.08583	21.8
144.05788	1.5
144.09375	7.9
145.06496	50.3
145.10135	86.3
146.10501	1.9
149.94095	1.1
153.07045	2.4
154.07779	1.2
155.05971	4.1
155.07080	4.4
155.08572	16.9
156.09306	1.7
158.07295	24.3
158.10933	23.6
163.11140	0.8
170.87517	0.7
171.11684	2.5
173.06012	59.6
173.08389	5.9
173.09654	69.3
173.13274	100.0
174.06435	1.6
174.10135	1.4
174.13640	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05505	2.1
64.87064	0.6
65.03934	0.8
67.05492	3.4
71.26317	1.2
77.03926	0.9
79.05489	1.4
80.88459	0.7
81.07057	2.5
83.04971	1.9
91.05482	31.6
93.07031	1.6
95.04932	0.8
101.05999	1.6
103.05434	3.9
105.03374	1.3
105.07043	12.2
107.08621	0.9
111.04447	1.7
115.05456	40.5
116.06274	5.9
117.07021	31.1
119.08586	15.9
127.05435	4.6
128.06230	11.7
129.05551	1.0
129.07010	18.9
130.07805	6.5
131.04874	1.1
131.08578	48.4
132.08846	0.8
133.10133	2.0
133.11086	0.8
143.08569	17.1
144.05702	1.6
144.09355	6.5
145.06491	85.0
145.10130	42.4
145.11293	1.7
146.06804	2.6
146.10500	1.0
153.07042	1.4
155.04938	1.2
155.06007	5.7
155.07286	1.5
155.08551	9.1
156.09290	1.3
158.07294	18.4
158.10922	24.7
163.07559	1.7
171.11685	2.9
173.05992	100.0
173.09644	28.2
173.13269	82.5
174.06364	2.8
174.13641	1.5
194.27620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	2.3
53.03715	0.9
53.03953	13.1
55.01875	0.7
58.84148	0.5
62.93663	0.6
65.03924	1.2
70.31590	1.9
75.91892	0.5
77.03934	4.0
79.05499	49.8
81.03410	1.1
95.04979	16.2
98.20908	0.6
103.05475	31.1
105.04541	5.1
105.07038	100.0
106.07381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01603	0.7
51.02370	2.6
53.03949	13.9
55.01864	0.6
56.74303	0.5
65.03949	1.1
69.59840	0.6
76.67344	0.5
77.03929	3.6
79.05498	52.2
80.05813	0.8
81.03410	1.0
95.04980	16.6
103.05477	31.6
105.04553	5.1
105.07036	100.0
118.23695	0.5
121.21455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.5
50.48619	0.5
51.02373	2.3
51.42266	0.5
52.96744	0.6
53.03953	14.3
55.01867	0.6
65.03941	1.2
69.71957	2.6
77.03935	3.1
79.05497	49.4
80.05834	0.6
81.03396	1.0
95.04972	15.5
103.05472	31.7
105.04539	4.9
105.07035	100.0
106.07379	0.9
117.90105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.48514	0.6
51.02377	1.5
53.03954	14.3
55.01877	0.8
60.82064	0.7
62.54721	0.7
65.03957	0.9
70.96927	0.7
70.97257	1.4
77.03940	4.8
79.05499	50.5
81.03397	1.0
83.56739	0.6
95.04980	16.9
98.82519	0.7
103.05478	34.7
105.04558	5.7
105.07040	100.0
106.07399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
51.02377	1.9
53.03951	12.8
53.59598	0.4
55.01868	0.5
65.03930	1.4
69.48309	1.0
69.48716	2.5
77.03937	4.5
79.05499	52.2
81.03422	1.5
95.04971	16.7
98.21457	0.8
103.05478	32.7
105.04547	5.7
105.07038	100.0
106.07360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01874	0.6
55.05530	0.7
62.76707	0.5
62.99089	3.5
63.02383	0.5
65.03946	13.8
67.05507	4.0
69.37206	3.7
78.67451	0.5
79.05494	26.7
91.05483	100.0
92.05795	0.6
92.06271	3.4
95.04974	2.5
98.21556	0.8
98.67658	0.5
103.05468	0.6
105.04562	0.8
105.07037	27.3
107.04965	2.2
107.08598	30.8
108.08898	0.7
109.06519	12.5
119.06066	7.0
124.05216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01602	0.4
53.03945	2.3
62.99084	7.5
64.22760	0.4
65.03946	13.7
67.05516	4.0
70.92063	0.4
71.11356	0.7
75.15704	0.4
75.56884	0.4
77.03947	0.8
79.05502	28.5
91.05489	100.0
91.09798	0.4
92.05861	0.7
92.06300	3.0
95.04974	2.5
99.87251	0.4
103.05468	0.6
105.04544	0.8
105.07041	26.4
106.04200	0.7
107.04965	4.4
107.08603	31.7
109.06530	11.2
116.34630	0.4
119.06086	6.6
124.05252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03950	7.7
55.01880	2.1
56.88175	0.4
58.10910	0.4
62.29114	0.4
62.99077	5.7
65.03945	13.4
67.05511	3.6
69.84617	2.3
74.44676	0.5
77.03943	1.9
79.05495	33.1
81.03419	0.7
91.05486	100.0
91.98927	0.5
92.05828	1.0
92.06290	3.7
95.04971	9.2
105.04543	3.6
105.07037	26.1
106.04176	1.3
107.04958	46.1
107.08601	31.5
107.09164	0.5
109.06525	13.0
119.06072	6.8
124.05244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05506	0.5
59.66445	0.4
62.04209	0.5
62.99082	5.3
65.03947	13.8
65.78977	0.4
66.52935	0.4
67.05512	4.3
67.62251	0.5
69.57592	0.5
69.73707	2.9
71.47301	0.5
74.48904	0.5
77.03960	0.6
79.05501	24.6
85.22657	0.5
91.05491	100.0
92.05807	1.0
92.06280	2.4
95.04970	3.6
105.07041	27.5
106.04138	0.9
107.04973	9.1
107.08607	32.0
108.02113	0.6
109.05785	1.0
109.06529	12.8
115.28444	0.5
119.06075	5.9
124.05185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03953	2.6
55.01878	0.7
58.73719	0.4
62.85299	0.4
62.98755	0.5
62.99084	14.0
65.03949	12.4
67.05511	3.7
79.05502	23.0
82.59382	0.4
88.36076	0.4
91.05491	100.0
92.05770	0.6
92.06271	2.7
95.04971	3.3
98.21519	0.9
103.05447	1.0
105.04564	1.0
105.07043	28.2
106.04154	0.9
107.01633	0.5
107.04968	8.3
107.08603	32.7
108.08883	0.5
109.06527	11.8
119.05314	0.7
119.06081	7.4
124.05231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02391	0.3
53.03944	0.9
55.01863	0.6
62.99083	4.2
65.03948	13.6
67.05505	2.7
69.59864	1.7
77.03915	0.4
78.69305	0.3
79.05502	12.3
90.54996	0.2
91.05489	100.0
92.05847	0.4
92.06272	2.6
95.04980	1.2
103.05472	0.7
105.07042	29.3
106.04190	0.8
107.04977	2.3
107.08604	33.6
108.08912	0.3
109.06529	14.5
119.06077	7.1
119.94356	0.3
124.05211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01596	0.4
51.02391	1.3
52.04387	0.4
53.00305	1.5
53.03949	27.7
55.01875	35.5
56.05050	0.4
56.96574	0.8
62.70816	0.5
62.99085	2.0
64.98660	0.7
65.00639	0.9
67.05505	2.2
68.05933	0.4
69.03436	0.4
70.36795	0.7
70.37195	1.2
78.52977	0.6
79.05492	1.2
81.03421	100.0
81.07066	1.5
82.01450	0.5
82.03748	0.7
82.06580	0.6
83.06121	1.8
93.04524	1.0
100.02486	1.3
109.02882	49.7
109.06524	2.3
109.07655	1.1
109.10152	0.7
110.03175	0.5
110.06074	2.5
110.07180	0.9
128.05881	0.4
129.13893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02371	0.3
53.00315	0.3
53.03951	3.0
55.01888	1.5
55.05516	2.6
64.98643	0.3
65.03946	15.0
66.04719	1.2
67.05508	26.6
68.99813	0.3
69.03412	0.4
69.07069	1.7
70.74052	0.8
73.62313	0.3
79.05498	19.1
80.05843	0.3
80.06282	0.5
81.03426	3.2
81.07062	44.4
82.07387	0.3
91.05487	38.6
91.34276	0.3
92.05824	0.7
92.38277	0.3
93.03389	0.3
94.04192	56.7
94.07826	0.3
95.04490	0.4
95.05011	0.6
107.04964	25.1
107.08592	1.0
109.02880	0.8
109.06524	100.0
109.10155	11.7
110.06104	0.5
110.06867	1.1
111.04446	4.9
112.03748	0.3
119.06063	2.8
121.04000	1.7
125.81717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02388	0.4
53.03705	0.5
53.03951	8.0
55.01878	7.5
55.05518	2.8
64.98645	0.5
65.03947	4.6
66.04730	0.8
67.05510	25.9
69.07082	1.7
69.29857	3.1
79.05499	41.7
80.05827	0.5
81.03420	4.5
81.07061	41.3
82.07433	0.5
87.45287	0.4
91.05487	12.5
92.05827	0.4
94.04195	4.3
95.04964	1.2
107.04961	1.2
107.08550	0.7
109.02884	0.9
109.06524	100.0
109.10168	12.7
110.06080	0.4
110.06876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02388	0.4
53.03948	9.7
53.17450	0.3
55.01872	6.7
55.05511	6.8
64.98656	0.6
65.03941	5.7
66.04727	1.5
66.62884	0.3
67.05505	53.2
69.07064	3.1
70.60860	1.0
70.61219	0.4
79.05492	45.2
80.06269	0.9
81.03417	7.5
81.07057	49.0
82.07364	0.4
83.40707	0.4
86.00680	0.6
91.05482	13.8
94.04172	4.5
94.07823	0.5
95.04968	1.4
103.47442	0.4
106.86720	0.4
107.04961	1.6
107.08595	1.6
109.02892	2.2
109.06518	100.0
109.10151	24.0
110.06038	1.0
110.06864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03948	5.3
55.01865	1.3
55.05513	7.0
61.86626	0.6
64.98660	1.3
65.03947	15.3
66.04713	0.9
67.05510	73.1
68.05836	0.9
69.07075	4.8
71.22259	1.3
79.05498	26.7
80.06268	0.9
81.03421	7.6
81.07063	58.7
87.00482	1.1
91.05489	35.0
92.05802	0.9
94.04196	49.7
95.04981	1.2
107.04961	21.0
107.08595	3.1
109.02880	2.2
109.06526	100.0
109.10158	28.8
110.06071	2.0
110.06825	1.0
111.04433	4.1
118.35527	0.7
119.06072	2.5
121.03976	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.35513	0.6
51.02383	0.4
51.06981	0.4
53.03950	6.2
55.01876	2.2
55.05515	4.3
61.27153	0.4
64.83229	0.4
64.98660	0.5
65.03603	0.8
65.03944	12.4
66.04709	1.3
67.05510	32.9
69.07057	2.1
70.68180	1.3
79.05499	19.7
81.03426	7.0
81.07063	46.0
82.65285	0.4
84.58782	0.4
88.27663	0.5
89.34132	0.4
91.05489	36.4
92.05782	0.5
94.04195	53.5
95.05014	1.0
107.04961	24.0
107.08615	1.3
108.45110	0.5
109.02877	2.0
109.06526	100.0
109.10162	15.9
109.10921	0.7
110.06048	1.3
110.06824	0.9
111.04453	4.6
115.98408	0.5
119.06090	2.5
119.50742	0.5
119.74189	0.5
121.03999	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02381	1.5
53.00316	1.1
53.03708	1.6
53.03953	20.8
53.99554	0.8
55.01858	2.7
55.05515	6.1
60.19052	1.1
64.45097	0.8
64.98642	0.9
65.03941	11.1
66.04720	2.4
67.05509	54.9
69.03432	11.6
69.07063	3.6
69.94848	1.8
69.95251	3.6
73.51073	0.7
79.05498	81.1
81.03423	13.7
81.07063	94.8
82.06573	0.9
87.00523	0.8
91.05483	12.7
94.04196	20.9
95.04984	2.4
95.15543	1.0
107.04951	8.7
107.08624	1.5
109.02908	3.2
109.06528	100.0
109.10165	18.9
109.10911	0.9
110.06055	3.3
110.06760	1.2
110.98461	0.9
111.04433	0.9
119.06088	1.3
125.96965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.7
55.01873	2.5
55.05515	5.9
60.66206	0.6
64.98644	1.4
65.03944	15.0
65.49940	0.5
66.04713	1.1
67.05508	54.6
69.03403	0.7
69.07069	2.9
70.05914	0.6
71.57278	0.8
79.05497	23.4
80.06287	1.0
81.03425	9.8
81.07059	53.6
82.06578	0.5
87.00458	1.3
91.05485	35.8
94.04191	49.8
94.07841	0.9
95.05004	1.1
105.07021	0.7
107.04959	21.2
107.08581	2.2
109.02877	2.9
109.06522	100.0
109.08508	1.6
109.10155	22.6
110.06039	2.4
110.06802	1.2
111.04474	3.9
114.18579	0.5
119.06059	3.1
121.04004	1.9
125.75492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.11369	0.7
52.46212	0.7
53.00320	0.7
53.03949	14.1
55.01882	4.7
55.05516	10.6
60.48179	0.9
62.78583	0.8
64.98644	1.6
65.03945	8.1
66.04704	1.1
67.05508	88.5
69.07076	4.8
71.72012	0.7
79.05498	44.5
81.03422	14.1
81.07062	63.6
86.00715	0.9
87.00489	1.8
91.05487	15.4
94.04197	11.2
94.07829	1.0
95.04996	0.9
98.20731	1.7
107.04967	4.0
107.08604	3.5
109.02879	4.2
109.06526	100.0
109.10162	37.6
110.06049	3.3
110.06770	1.0
113.96420	1.1
128.76706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00315	0.5
53.03947	4.1
55.05514	10.3
64.98634	0.6
65.03945	5.0
66.67358	0.5
67.05507	100.0
67.74191	0.4
68.05846	0.8
69.07072	6.7
69.79245	1.0
69.79653	2.2
79.05492	12.8
80.06263	1.3
81.03420	3.6
81.07060	35.2
87.00449	0.8
91.05470	2.9
94.04173	1.8
94.07832	1.4
98.20867	0.5
99.19473	0.5
105.07007	0.9
107.04944	1.1
107.08627	3.4
109.02895	1.5
109.06525	7.1
109.07661	0.8
109.10159	41.3
110.06043	1.5
110.10497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02386	0.7
53.03955	5.7
55.01883	0.9
55.05516	11.7
59.07281	0.5
64.98644	0.5
65.03942	6.3
67.05511	100.0
68.05851	0.8
69.07072	6.7
69.47331	3.0
79.05500	17.9
80.06284	1.5
81.03443	3.7
81.07065	40.3
91.05499	4.2
94.04201	3.5
94.07825	1.5
95.04949	0.5
105.18193	0.5
107.04961	1.8
107.08587	4.3
109.02890	1.1
109.06531	18.2
109.07677	0.8
109.10167	44.1
110.06033	0.9
116.56265	0.5
121.04138	0.5
123.48456	0.5
124.11380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03952	2.4
55.01890	0.6
55.05518	10.8
63.59701	0.4
65.03941	5.1
67.05510	100.0
68.05856	0.9
69.03452	0.4
69.04789	0.4
69.07072	6.2
71.57838	0.7
79.05496	13.5
80.06268	1.3
80.63609	0.4
81.03432	1.6
81.07064	35.5
86.91510	0.4
91.05486	3.3
92.71807	0.5
93.06139	0.6
94.04178	2.3
94.07831	1.9
107.04976	0.8
107.08598	4.1
109.02845	0.6
109.05773	0.8
109.06525	8.1
109.10165	44.8
109.83864	0.5
110.06026	1.1
110.10486	0.8
111.26203	0.5
128.97235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	3.2
55.05515	10.4
57.96375	0.5
62.70347	0.4
65.03940	4.1
67.05509	100.0
69.06726	0.6
69.07076	6.9
70.90464	1.4
76.97502	0.5
79.05502	8.7
80.06284	1.2
81.03426	2.1
81.07062	30.5
88.69926	0.4
88.89065	0.4
91.05492	2.0
94.04187	1.0
94.07841	1.3
107.08598	3.9
109.02905	1.2
109.06512	4.3
109.10162	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30005	0.4
51.47782	0.4
53.00299	0.7
53.03952	4.0
55.01870	1.1
55.05261	0.7
55.05514	10.5
65.03947	4.7
65.38451	0.3
67.05508	100.0
68.05843	0.5
69.07070	5.9
69.35442	1.1
69.35852	2.0
79.05500	14.0
80.06285	1.1
81.03416	3.6
81.07062	36.1
83.59506	0.4
91.05489	3.6
94.04222	2.1
94.07822	1.0
95.04950	0.5
105.07023	0.5
107.04974	1.0
107.08591	4.1
109.02885	1.1
109.05927	0.3
109.06527	14.8
109.10162	42.8
110.06088	0.5
110.10480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.77440	0.6
53.03957	10.7
55.01878	2.7
55.05523	11.1
60.50202	0.6
60.69865	0.6
64.98659	2.3
65.03948	7.3
67.05511	100.0
68.05838	1.1
69.07073	7.0
71.56146	0.8
72.35370	0.5
79.05503	18.9
80.06276	1.4
81.03426	14.0
81.07066	40.8
82.06609	1.1
87.00479	1.3
91.05493	6.5
94.04200	6.8
94.07851	1.7
95.04983	1.0
98.32456	0.5
99.34661	0.5
107.04981	2.5
107.08598	3.5
109.02878	4.2
109.06528	23.9
109.07692	1.2
109.10169	42.3
110.06056	3.4
110.10519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05514	9.5
65.03943	4.5
67.05508	100.0
68.05840	0.9
69.07083	6.3
71.54761	0.5
71.55090	0.7
72.13789	0.5
73.05978	0.5
75.46236	0.5
79.05491	8.9
79.07355	0.6
80.06276	1.2
81.03436	1.7
81.07059	30.6
91.05488	1.5
94.07815	1.3
105.30399	0.5
107.08587	3.5
109.06547	2.8
109.10161	43.2
110.06061	1.3
110.10499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	1.2
54.31367	0.4
55.05516	10.8
61.70274	0.5
65.03947	4.3
67.05510	100.0
69.07072	7.0
70.88071	1.1
79.05495	8.4
80.06269	1.9
81.03431	0.5
81.07064	32.1
91.05467	0.9
94.07816	1.4
99.65666	0.5
105.07044	0.7
107.08595	3.7
109.06548	1.1
109.10165	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	5.3
53.76559	0.4
55.01873	1.0
55.05518	10.8
62.71555	0.5
65.03948	5.1
65.12409	0.5
66.04718	0.8
67.05511	100.0
69.07076	6.7
70.05878	1.0
70.06236	2.5
78.48679	0.5
79.05064	0.8
79.05501	14.4
80.06275	2.0
81.03420	6.1
81.07066	36.3
82.07393	0.5
82.10891	0.5
87.00457	0.7
91.05497	4.8
94.04196	3.4
94.07830	1.3
107.04964	1.4
107.08599	3.8
108.66146	0.5
109.02881	2.3
109.06532	18.0
109.07652	0.7
109.10165	43.0
110.06070	1.4
113.96349	0.6
122.41261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
52.93344	0.8
53.03953	5.4
53.04160	0.9
55.01876	11.2
55.05515	41.4
55.93530	0.9
56.05036	1.8
56.96562	1.9
65.03948	26.1
66.44867	0.9
67.05511	4.2
68.02641	3.5
68.05049	1.5
68.99788	4.0
69.03436	8.9
69.07066	6.1
70.02956	0.9
70.06597	6.9
70.94263	3.7
70.95860	3.5
71.01343	1.0
71.02698	1.5
73.71091	0.9
82.04199	1.3
82.05323	4.8
83.04986	31.6
83.06077	5.7
83.06920	0.9
83.08623	2.2
84.04481	1.3
84.08147	3.1
85.02914	0.9
88.00471	10.5
88.95307	1.6
89.00269	1.1
91.05489	3.8
93.03411	7.1
93.04512	1.0
93.07059	4.9
94.06558	2.1
96.02122	5.8
97.01009	9.7
110.10405	0.8
111.00842	1.1
111.04448	100.0
111.05586	10.9
111.06418	3.9
111.08076	13.0
111.09211	10.1
112.03997	2.1
112.04726	0.9
112.07616	6.9
115.96453	5.2
116.97233	1.9
121.03997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01881	5.5
55.05268	1.6
55.05515	23.4
65.03608	1.6
65.03946	32.3
66.30572	0.9
67.05511	2.2
68.02653	6.0
68.05035	2.2
68.99788	3.8
69.03423	4.1
69.07061	2.5
70.06595	3.9
70.79968	1.3
70.80318	1.9
70.94272	1.3
70.95855	1.9
71.01382	1.3
72.95816	0.8
74.55089	0.9
79.01865	1.8
82.05339	1.8
82.06609	0.9
83.04984	16.6
83.06091	1.7
84.08147	1.0
88.00494	4.9
91.05479	2.7
93.03410	8.6
93.07074	1.7
96.02123	9.1
97.01024	4.1
111.00806	2.3
111.04450	100.0
111.05537	4.9
111.08081	6.2
111.09192	5.5
112.04015	1.1
112.04867	0.9
112.07619	4.0
115.96457	2.9
119.00261	1.1
121.03996	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	111.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
53.03709	2.2
53.03949	32.1
55.01621	2.6
55.01873	36.5
55.05511	61.1
57.03442	2.3
57.89810	1.4
57.93558	3.6
64.15317	1.4
65.03943	8.3
65.04248	1.3
65.21688	1.3
65.94244	1.3
67.05507	11.4
68.05035	1.6
69.03426	20.1
69.07069	11.9
69.91569	2.3
69.91980	5.2
70.06590	1.4
77.03922	4.5
79.05495	5.9
79.86015	1.6
81.03406	3.7
81.07050	19.7
82.04189	1.4
82.05309	2.1
83.04987	13.9
83.06104	3.6
83.08643	8.6
84.08173	1.6
88.00491	62.7
89.00256	5.9
91.05482	100.0
92.05797	3.4
93.03393	2.2
93.07045	91.7
94.07354	2.2
95.01258	1.9
95.04973	42.8
96.05807	1.9
97.01009	48.2
97.51163	3.4
98.00767	4.9
99.51287	10.8
105.04532	11.2
106.01501	4.8
108.51810	3.0
111.02055	2.3
111.04454	32.4
111.05577	5.3
111.06416	4.0
111.08083	91.2
111.09250	2.4
112.03977	3.6
112.07619	5.1
114.10581	1.5
115.96439	30.2
116.97200	10.3
117.95934	2.7
118.06628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
50.83905	1.1
51.02377	3.3
53.03713	1.2
53.03951	28.2
55.01875	40.6
55.05514	42.1
57.03430	1.2
57.93564	2.3
64.91668	1.3
65.03947	6.3
67.05499	9.0
69.03438	14.6
69.07076	8.4
70.06570	2.0
70.94226	1.5
71.56015	1.6
74.24711	1.4
76.02462	1.3
77.03923	4.2
78.99976	1.3
79.05487	7.0
81.03432	3.1
81.07066	18.2
83.04983	9.1
83.06113	2.5
83.08624	5.0
88.00484	39.3
88.50670	1.9
89.00272	1.9
91.05486	100.0
92.05798	3.1
93.07049	87.4
94.07383	3.0
95.01224	1.4
95.04974	37.3
96.05800	1.6
97.01007	35.3
98.00735	3.3
99.51254	9.5
100.01418	1.5
104.74165	1.2
105.04514	13.8
105.36258	1.1
106.01524	1.5
110.77560	1.2
111.04451	25.6
111.05607	3.4
111.06429	3.6
111.08087	75.2
111.09248	2.9
112.04021	1.6
112.07621	3.5
115.96456	18.1
116.97221	7.8
117.96045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0917
Annotation	epsilon-Caprolactam
Peak:m/z	Relative Intensity
55.05510	2.4
57.03438	2.5
58.06593	1.3
67.05508	5.4
68.05028	21.2
69.07072	2.4
70.06595	13.4
71.55244	0.9
72.08146	1.6
75.65060	0.6
79.05495	16.4
80.05021	3.7
81.05803	18.2
84.63988	0.6
94.06572	27.5
95.04955	0.6
96.08133	95.7
97.08471	0.7
98.47015	0.7
114.09170	100.0
115.09514	1.3
119.01898	1.2
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
57.49113	0.5
58.41910	0.7
59.04994	1.2
60.23803	0.6
65.03926	0.9
70.06597	7.8
70.81995	1.0
89.03920	5.4
115.05463	100.0
116.06335	5.9
129.79149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49113	0.5
58.41910	0.7
59.04994	1.2
60.23803	0.6
65.03926	0.9
70.06597	7.8
70.81995	1.0
89.03920	5.4
115.05463	100.0
116.06335	5.9
129.79149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48863	0.7
51.97268	1.0
54.34563	0.8
54.70437	0.9
55.01861	0.9
55.05547	0.9
58.05884	0.8
59.01850	0.8
59.04999	7.9
65.03927	2.0
69.03413	2.7
70.06594	34.8
71.56087	1.2
72.93781	1.9
73.93819	1.0
74.93845	4.5
87.04474	7.8
89.03909	5.6
92.94845	0.9
97.08467	1.7
98.09652	0.8
110.87734	0.8
115.03948	7.6
115.05457	100.0
115.09522	2.3
115.10410	0.7
116.05716	1.5
116.07108	3.5
116.10780	1.3
128.56075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03425	1.4
85.02879	0.3
88.90942	0.2
89.03918	1.3
91.05444	0.5
93.03382	0.5
95.04987	0.9
97.02877	0.2
98.20765	0.2
98.33166	0.1
99.04424	0.4
103.05433	0.6
105.03386	0.5
105.07056	0.2
107.04945	1.7
109.02875	1.1
111.00819	1.9
111.03812	0.2
111.04456	2.7
115.05460	1.5
117.03374	0.7
117.07035	0.3
119.04932	0.7
121.02869	1.9
123.04433	14.8
127.03918	11.4
128.06221	0.4
129.06967	0.7
131.04913	1.5
133.02858	0.3
133.06459	0.4
135.04417	13.6
137.02350	11.1
137.03406	1.0
137.04364	0.1
137.05942	0.2
139.03903	11.2
139.05484	0.5
140.04222	0.3
141.01790	0.2
141.06969	0.5
143.04903	0.7
145.02792	0.6
145.06523	0.8
147.04407	3.7
149.02342	8.2
149.05965	0.8
150.03035	0.2
151.03906	3.9
152.06134	0.2
153.01831	5.2
155.03369	1.5
155.04892	1.4
155.06023	0.2
157.06491	1.2
159.04448	1.4
161.02341	0.5
161.05965	1.8
163.03912	15.2
164.04410	0.2
165.01775	0.5
165.05460	0.6
165.06845	0.2
167.03384	1.1
167.04936	0.5
169.06508	1.0
171.04367	0.6
173.02327	0.3
173.05995	2.1
175.03920	2.5
175.07558	0.5
177.01862	0.5
177.05466	1.6
179.03386	1.9
181.04964	0.3
181.06476	0.6
183.04384	1.4
184.04951	0.2
185.05965	2.6
187.03883	2.5
187.07639	0.3
189.01801	0.3
189.05478	1.9
191.03377	1.5
193.04874	0.8
195.04343	0.3
197.04326	0.2
197.05994	2.0
199.03888	1.2
199.07602	0.3
200.04616	0.2
201.05479	3.9
203.03404	5.6
203.07039	1.1
205.04926	0.8
207.02814	0.4
207.06529	0.4
209.06044	0.3
211.03940	0.6
213.05473	4.6
215.03448	0.9
215.06989	0.6
216.04166	0.2
217.04932	1.3
218.05730	0.2
219.02855	0.2
219.06506	1.1
221.04420	0.7
221.06233	0.2
223.02238	0.4
223.04143	0.3
225.05481	1.1
227.03433	1.1
227.06995	0.6
229.02856	0.3
229.04956	4.7
230.05524	0.2
231.02837	0.4
231.06500	8.1
233.04390	0.5
235.02386	0.3
237.05426	1.1
239.03360	0.4
239.06966	0.3
240.04129	0.2
241.04933	3.1
242.05647	0.5
243.02850	0.3
243.06520	1.1
245.04453	6.4
247.06020	22.3
248.06363	0.5
249.05557	0.3
251.07378	0.2
253.04924	1.5
255.03030	0.2
255.03763	0.2
255.06439	1.7
257.04462	10.4
258.05185	2.3
259.06009	10.8
260.06522	0.2
261.07605	1.0
263.05307	0.3
265.04932	0.8
267.06509	0.5
269.04431	4.9
270.05090	0.4
271.05994	8.0
272.06479	0.3
273.04053	1.0
273.07605	0.8
275.05365	1.4
277.04971	0.3
279.06500	0.4
281.04419	2.0
281.07547	0.3
282.05054	0.4
283.02750	0.3
283.05969	4.7
284.06616	0.2
285.03995	2.0
285.07257	0.3
286.04590	0.7
287.05496	100.0
288.05826	2.8
289.07056	7.3
291.06223	0.3
293.04489	0.7
295.05933	1.2
297.03909	1.1
297.07538	0.5
299.05478	5.3
300.05838	0.2
301.03659	0.2
301.07001	4.2
303.05673	0.3
303.08981	0.2
305.04633	0.3
305.08026	0.4
307.06064	0.6
309.03909	1.0
309.07559	0.5
311.05490	2.1
313.03583	0.2
313.07095	0.6
315.04987	0.5
317.06525	0.7
319.06064	0.7
321.03903	0.6
321.07614	0.4
323.05606	1.1
325.03540	0.2
325.07071	0.4
327.04877	0.8
329.06454	1.0
331.05768	0.4
333.04071	0.2
333.07541	0.7
335.05478	0.8
335.09036	0.3
337.03369	0.3
337.07101	0.6
339.04980	0.8
341.07007	0.2
345.07501	0.6
347.05518	0.5
347.09341	0.3
349.06952	0.8
351.04941	1.1
351.08591	0.3
353.06866	0.3
357.07437	0.5
359.05276	0.2
360.06317	0.2
361.07022	1.6
363.04816	0.7
363.08859	0.5
365.06561	0.9
367.08176	0.4
369.07529	0.3
373.07025	1.1
375.04852	0.5
375.08621	0.6
376.05734	0.4
377.06665	1.8
378.07016	0.2
379.04010	0.2
379.08194	2.2
381.10135	0.3
385.06937	0.5
387.08734	0.3
388.05356	0.2
389.06644	2.3
390.07458	0.2
391.08163	1.4
393.05933	1.4
393.10089	0.2
394.07349	0.2
395.07660	1.8
397.07797	0.2
401.06540	0.7
402.07516	0.3
403.08377	1.3
405.05829	1.9
406.06644	0.3
407.07645	6.1
408.07849	0.3
409.09225	5.0
410.09201	0.4
411.10809	3.1
412.11023	0.2
413.08743	3.6
415.08112	0.4
417.05704	1.6
419.07654	1.9
421.09357	1.2
423.07147	0.6
425.08646	5.2
427.09818	0.6
429.06104	0.5
431.07748	1.8
433.09158	0.5
435.06613	1.9
437.08847	1.1
439.08395	0.2
441.05734	0.2
443.07880	0.3
447.07318	1.0
448.06885	0.2
449.02701	0.2
449.08755	4.4
451.10150	0.6
453.11682	0.7
455.08789	0.6
459.07214	0.5
461.08755	0.5
465.08041	0.3
467.09381	0.5
471.07196	0.2
473.08722	0.2
479.07608	0.2
497.08844	0.2
507.07025	0.2
509.08496	0.4
511.10626	0.2
513.08209	0.2
515.10156	0.4
517.10992	0.2
521.08813	0.3
525.07751	1.2
527.09821	0.9
529.11340	0.4
531.09351	0.6
533.10809	12.1
534.10858	0.5
537.08167	0.4
539.09576	0.9
541.11090	0.7
543.09088	1.9
545.10706	0.9
547.12659	0.2
549.09650	0.3
551.09863	0.3
555.09045	0.7
557.10791	3.9
559.12518	1.0
561.10181	1.2
567.08978	0.8
569.10846	2.0
571.12152	0.2
573.10272	1.6
575.11829	10.8
576.12305	0.4
577.13318	0.4
581.10516	0.6
585.10168	0.7
587.11780	2.6
597.10150	0.3
599.11652	0.7
617.12701	1.6
651.11444	0.5
653.12262	0.2
665.12323	0.2
669.11853	0.4
675.12091	0.9
677.13019	0.9
679.11761	0.5
689.12268	0.3
693.12372	4.4
694.12524	0.3
695.13904	9.5
696.13855	0.6
697.15155	0.6
701.13416	0.4
705.12378	0.4
707.13678	0.3
711.13550	4.2
712.13452	0.4
713.15009	8.9
714.15002	0.7
719.14056	0.8
725.14716	0.3
737.14722	1.3
739.16748	1.4
755.15747	0.7
813.13879	0.4
815.14661	0.2
821.17047	1.4
827.15985	0.4
831.15527	1.7
845.16705	0.6
863.18335	1.1
865.19214	0.6
965.18127	0.3
983.20483	1.5
985.19171	0.4
1001.20538	0.7
1187.56824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
54.16181	0.1
57.99715	0.1
58.06603	0.4
68.05027	0.4
70.06596	100.0
70.97787	0.3
71.06916	0.7
76.75256	0.1
85.06546	0.3
88.07636	0.5
98.06064	0.3
98.07174	0.2
98.09705	2.7
116.07100	9.7
116.10738	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02385	9.0
53.03953	74.9
55.01889	3.1
56.28409	2.7
59.32230	2.5
65.03942	2.5
65.95166	2.4
70.26367	6.7
70.26764	5.6
70.28218	3.0
72.08170	3.3
77.03935	13.8
79.05486	8.0
81.03405	9.3
87.04478	5.2
91.05486	86.8
93.07063	6.2
95.04977	100.0
98.21522	3.0
103.05456	10.8
104.06271	7.4
105.04531	32.7
110.33998	2.6
115.05461	6.5
116.05768	3.4
117.07027	37.9
118.06552	94.1
118.07243	3.3
119.08591	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01588	3.0
51.02375	7.6
53.03953	83.6
53.56387	2.0
55.01887	3.2
65.59718	2.5
66.43427	1.9
70.19431	4.9
70.19825	4.9
77.03941	15.6
81.03423	5.5
83.46539	2.1
86.50599	2.3
89.63209	2.1
91.05491	5.9
95.04979	92.0
102.51723	2.0
104.17194	2.1
105.04521	27.7
118.05705	5.3
118.06551	100.0
119.08587	4.3
130.41740	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.7
51.02385	9.2
53.03952	74.2
55.01860	3.8
65.03932	2.8
70.93311	3.2
72.08150	5.3
75.35016	2.0
77.03941	13.7
81.03423	7.4
91.05493	34.2
95.04975	93.5
103.05503	4.4
104.06261	4.9
105.04523	31.5
116.05786	2.6
116.80132	1.7
117.07053	8.2
118.06553	100.0
118.07309	4.9
119.08594	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01602	1.6
51.02388	8.4
51.02583	1.4
53.03951	78.5
54.57377	1.5
55.01870	5.2
58.63004	1.2
60.05258	1.7
61.21751	1.5
65.03945	3.1
69.03436	1.8
70.49009	2.3
70.49371	3.2
72.08147	4.1
75.02188	1.3
75.73888	1.4
76.93378	5.3
77.03946	13.0
77.24065	1.5
79.05496	1.8
81.03435	9.4
87.04478	6.1
91.05489	35.2
94.94424	2.5
95.04975	84.4
99.50273	1.6
100.07591	3.2
101.55865	1.6
103.05460	4.7
104.06290	3.6
105.04524	30.6
106.79729	1.4
115.05500	2.1
117.07043	11.0
118.06551	100.0
119.04868	1.7
119.06874	2.6
119.08591	30.7
119.09451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01606	3.0
51.02379	10.2
53.03952	72.2
55.01875	5.1
63.41334	1.7
65.03941	2.6
71.30777	2.0
77.03951	11.0
79.05511	4.0
81.03413	6.8
91.05489	58.8
91.94017	2.0
92.05832	5.5
95.04366	4.6
95.04977	94.7
103.05486	7.4
104.06275	6.8
105.04512	29.0
107.04829	1.9
110.79098	1.7
115.05443	3.1
116.05777	12.1
117.07037	18.6
118.06564	100.0
118.07378	12.5
119.04920	2.1
119.08586	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01603	3.3
51.02379	6.3
51.52765	1.7
53.03949	69.3
55.01866	3.4
69.66322	10.2
77.03925	12.5
77.17651	1.7
81.03409	5.5
86.76963	2.0
91.05482	20.2
95.04361	4.3
95.04971	88.4
98.20753	3.9
104.06236	3.5
105.04516	31.0
105.63248	1.8
117.07047	2.6
118.06547	100.0
119.06895	1.9
119.08579	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	3.8
57.47668	2.2
58.99868	4.4
61.65157	3.0
65.61973	2.2
67.05491	10.6
69.03436	49.7
69.92870	8.3
69.93275	5.1
71.02975	4.3
78.52953	7.5
79.05540	2.7
80.02956	5.7
81.07066	2.9
82.01459	25.2
83.01525	2.9
85.01421	3.6
85.53719	3.7
87.01155	2.5
87.53481	8.3
91.05486	11.4
93.07065	5.8
93.53451	6.0
94.03574	3.2
95.04966	3.1
98.20762	2.8
100.02487	72.1
100.03144	3.6
101.00883	25.5
101.02567	7.8
103.02448	13.8
107.05223	7.7
107.53210	10.2
116.05788	5.4
118.03532	30.6
119.01923	100.0
121.03493	6.0
129.03957	4.6
133.03476	9.9
137.02954	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37302	3.4
56.96565	3.5
57.81089	3.1
59.52201	4.1
65.52183	6.0
67.05495	8.4
69.03432	45.0
70.27991	12.3
71.02988	5.2
78.52985	6.6
81.07059	3.6
82.01436	14.3
87.53466	12.8
91.05500	7.6
91.25166	3.2
93.07037	4.2
93.53496	7.4
100.02494	58.7
101.00893	27.6
101.02574	11.1
102.02869	3.0
103.02426	12.7
107.05258	13.8
116.05808	3.9
116.55816	3.8
118.03531	21.2
119.01929	100.0
120.02097	3.5
121.03495	9.4
124.61272	3.2
129.04068	3.6
131.02011	3.3
133.03467	3.9
137.02975	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	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85485	1.8
55.01862	2.2
56.96572	24.9
57.03438	2.0
61.02919	2.4
65.03945	17.5
67.05502	4.0
69.03424	13.6
70.06600	2.7
71.04992	5.8
71.55347	2.3
73.02903	1.8
74.06081	6.9
82.01443	5.2
84.07394	1.8
84.08144	7.3
91.05492	100.0
98.97590	7.0
100.02496	20.0
101.00869	18.9
101.02621	2.6
102.02286	2.3
102.09174	4.6
103.02457	3.1
116.05820	2.0
117.07073	2.5
118.03535	8.9
119.01934	79.7
119.03581	11.5
119.04963	14.8
119.06023	4.9
119.08597	7.0
120.02032	2.5
131.01956	3.0
133.03500	2.1
137.02972	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03939	0.7
53.42088	0.3
53.48326	0.3
53.94852	0.2
54.04290	0.3
56.29121	0.2
63.02375	0.3
63.71168	0.2
65.03945	19.9
66.04270	0.2
66.11668	0.2
70.72196	0.5
78.04671	0.3
79.05505	0.7
91.05486	100.0
92.05824	1.3
93.07034	0.7
94.76474	0.2
95.04976	0.9
98.20763	0.3
103.05463	1.0
104.06242	1.4
111.04436	0.3
115.05464	0.7
117.07024	2.4
118.04195	0.3
118.22365	0.2
119.04951	33.0
119.08587	9.3
120.05284	0.5
129.04509	0.4
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
50.01597	0.4
53.03942	2.8
65.03948	3.7
67.05520	0.5
69.63278	1.2
69.63686	1.7
78.04708	1.3
79.05502	7.1
80.81415	0.5
91.05486	100.0
92.05820	1.3
93.07029	4.9
95.04966	3.4
99.05504	0.5
102.04688	0.6
103.05479	12.2
104.06260	11.6
105.04507	1.2
109.06507	1.1
114.73438	0.5
115.05455	6.1
117.07027	23.3
118.64262	0.5
119.04949	2.0
119.08588	90.6
120.08913	1.3
132.56529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02397	0.7
53.03958	3.1
54.04293	0.6
59.80581	0.5
65.03939	3.2
68.61317	0.5
71.07832	1.3
77.03929	1.1
78.04710	1.5
79.05499	7.0
81.19538	0.5
88.09333	0.5
91.05488	84.9
92.05838	1.1
93.07047	5.9
95.04984	3.7
96.05322	0.6
103.05484	12.4
104.06256	11.2
105.04484	0.7
109.06527	0.6
115.05460	4.4
117.07028	21.7
117.07858	1.1
119.08587	100.0
120.08935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03948	2.5
53.24423	0.5
56.92055	0.5
57.02202	0.5
65.03949	2.9
69.21991	4.9
69.22374	0.6
78.04732	1.4
79.05492	8.5
91.05486	93.1
91.69489	0.5
92.05819	1.2
93.07048	6.1
95.04959	3.5
97.91312	0.5
98.19582	0.5
102.04697	0.9
103.05467	11.6
104.06255	13.2
105.04528	1.0
109.06497	0.8
115.05462	6.3
117.07024	24.8
119.08587	100.0
120.08910	1.9
121.06556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.09961	0.6
51.02390	0.7
53.03948	3.6
54.04286	0.6
56.11073	0.6
59.27963	0.6
62.00394	0.6
65.03942	4.4
67.05505	0.9
70.11697	2.8
70.93641	0.5
78.04715	1.9
79.05496	9.4
89.84811	0.6
91.05486	99.3
92.05824	1.1
93.07043	6.0
95.04977	4.9
96.05326	0.8
102.04678	0.7
103.05475	13.9
104.06249	13.6
105.04525	0.9
109.06544	0.9
115.05466	6.6
117.07023	30.7
119.08588	100.0
120.08918	1.0
121.06529	0.6
131.06075	0.9
138.38643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01604	0.6
51.02390	1.2
53.03959	3.3
54.04288	0.8
55.99077	0.7
63.72318	0.6
65.03943	5.4
69.58663	0.6
69.79929	3.7
77.03917	0.9
78.04718	1.0
79.05502	6.2
84.88757	0.6
91.05486	100.0
93.07064	4.9
95.04974	3.8
96.05323	2.1
103.05476	10.9
104.06264	10.8
105.04501	1.5
109.06524	2.2
111.13258	0.7
115.05460	5.2
117.06346	0.4
117.07022	23.6
119.04968	3.1
119.06129	1.8
119.06888	3.1
119.08586	77.3
125.70487	0.7
130.84283	0.7
139.10083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78275	0.5
53.03946	3.9
59.27483	0.6
62.78629	0.7
65.03947	3.7
65.26128	0.6
66.53500	0.6
69.82114	3.4
76.75062	0.6
78.04704	1.4
79.05482	5.1
81.03392	0.7
91.05483	100.0
92.05808	1.8
93.07037	5.3
95.04967	4.6
103.05468	14.2
104.06248	10.7
105.04524	1.4
109.06534	2.2
115.05456	7.8
117.07021	45.3
119.08582	72.9
120.08924	1.2
121.06502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02387	0.6
53.03953	3.2
60.38752	0.3
62.72895	0.3
62.80143	0.3
63.02422	0.3
63.87966	0.3
65.03950	2.7
67.05517	0.3
69.34244	1.6
69.34666	1.2
77.03941	0.9
77.88142	0.3
78.04704	1.2
79.05502	7.4
91.05487	76.3
92.05845	0.8
93.07045	5.3
95.04958	2.8
100.33759	0.3
102.04681	0.7
103.05479	11.8
104.06258	12.5
105.04562	0.7
109.06530	1.2
110.45386	0.3
115.05450	5.5
117.07027	20.9
119.08588	100.0
120.08949	2.1
121.06549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02177	0.9
53.03932	4.2
53.24867	0.8
54.04268	1.2
61.47405	0.8
61.50424	0.8
65.03938	3.2
65.62318	1.0
70.51362	2.7
76.38922	0.9
77.03919	1.0
78.04710	1.6
79.05497	7.8
88.65199	0.8
91.05489	100.0
92.05794	1.5
93.07059	6.4
95.04976	5.2
96.05311	1.5
101.35467	0.9
103.05485	10.9
104.06264	14.2
106.69056	0.9
115.05478	7.4
116.71460	0.9
117.06216	1.6
117.07033	25.2
119.06916	2.2
119.08591	92.2
120.08927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03955	3.8
54.04269	1.0
59.02571	0.7
65.03934	5.2
67.05528	0.7
69.94366	1.5
69.94751	1.4
78.04692	1.3
79.05506	7.3
91.05488	100.0
93.07062	5.0
95.04972	2.6
103.05487	10.0
104.06253	9.8
104.06892	1.0
109.06544	1.1
115.05469	6.5
117.07029	26.8
117.07859	1.5
119.04987	1.1
119.06136	1.3
119.08592	74.6
120.08884	0.9
121.06485	0.7
135.86606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
54.46359	0.5
64.91132	0.5
65.03943	3.9
69.42860	3.4
69.43266	1.2
77.03928	0.9
78.04707	1.5
79.05502	7.6
91.05487	80.9
92.05827	1.1
93.07036	5.6
95.04977	4.4
103.05477	12.1
104.06256	11.5
105.04514	1.2
109.06548	1.1
115.05467	6.0
117.07030	21.8
119.08588	100.0
120.08907	1.1
138.62450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03952	3.9
53.59101	0.5
54.04257	0.6
60.96231	0.5
65.03941	3.3
69.70190	3.3
77.03954	0.6
78.04708	1.1
79.05502	6.0
91.05488	100.0
92.05804	1.3
93.07053	7.2
93.68723	0.5
95.04984	4.2
96.05324	0.7
98.21503	0.6
102.04735	0.6
103.05474	15.9
104.05614	0.9
104.06266	13.7
105.04516	1.6
109.06534	1.3
115.05468	8.1
117.07028	46.3
119.08589	77.7
120.08911	0.7
121.06530	1.6
131.06075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.5
56.70087	0.5
58.38961	0.5
58.84592	0.5
62.48122	0.5
65.03954	3.2
67.05503	0.6
72.84689	0.5
74.98335	0.5
78.04698	1.0
79.05499	6.2
83.88208	0.5
87.92801	0.5
89.12853	0.5
91.05489	100.0
92.05804	1.3
93.07052	6.1
95.04969	3.8
96.05317	0.6
97.46646	0.4
103.05480	14.6
104.06257	12.2
105.04531	1.0
109.06520	1.4
111.30568	0.5
115.05447	7.6
117.07028	45.6
119.08590	72.8
120.08891	1.1
121.06521	1.0
126.06396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
56.05036	2.5
56.63651	0.4
67.05514	0.5
68.05015	1.2
69.05814	5.3
70.83019	1.1
71.04995	89.0
72.05331	0.9
72.08150	1.0
74.06083	76.7
74.39290	0.5
81.87223	0.5
82.06574	8.2
84.08145	100.0
85.08485	1.2
89.06006	0.5
94.19839	0.5
94.22342	0.5
98.42587	0.5
102.09183	46.8
103.09504	1.1
120.10226	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01579	0.5
51.02390	1.5
53.03709	0.7
53.03949	10.1
55.01881	1.6
55.05495	1.1
57.25943	0.3
63.02375	0.4
64.70298	0.3
65.03947	6.1
67.05505	1.3
70.70658	0.7
75.80650	0.4
77.03922	2.9
78.04716	12.7
79.01847	0.5
79.05498	16.5
81.03405	1.2
81.07054	0.7
91.05487	36.7
92.05795	0.6
93.07050	22.3
95.04976	15.7
99.68917	0.3
103.05479	11.3
105.04530	6.2
105.07036	31.1
106.04189	4.3
106.07870	2.0
107.04942	1.0
111.04435	1.3
119.08589	4.7
120.05701	0.4
121.02895	6.1
121.04173	2.0
121.06512	100.0
121.10143	17.8
122.06055	0.4
122.06770	1.5
122.10462	0.4
123.08073	3.8
133.07637	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0646
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	2.5
53.03704	0.9
53.03951	14.7
53.42325	0.5
54.18565	0.5
55.01861	2.1
55.05507	1.8
65.03607	0.7
65.03945	12.1
67.05493	2.2
70.22939	1.6
77.03925	3.0
78.04269	0.8
78.04716	13.2
79.05501	21.0
81.03401	1.7
81.07052	1.0
91.05487	44.7
92.05814	0.9
93.03446	0.9
93.07050	31.2
95.04977	20.6
103.05478	10.9
105.04527	6.0
105.07039	30.0
106.04187	4.2
106.07827	2.4
111.04470	3.3
119.08588	4.5
120.16339	0.5
121.02878	12.8
121.04008	4.6
121.06514	100.0
121.10148	18.5
121.11028	1.0
122.06059	0.8
122.06818	1.1
123.08073	2.8
123.65775	0.5
133.07628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	0.8
51.02378	3.2
53.03707	1.5
53.03952	27.0
54.09496	0.7
55.01876	3.2
55.05502	3.1
62.07768	0.6
65.03939	5.6
67.05502	1.4
68.58747	0.9
70.82693	1.3
75.94408	0.7
77.03935	5.1
78.04717	2.0
79.05498	23.4
79.64165	0.7
81.03410	2.4
81.07062	1.0
81.97726	0.7
91.05486	80.1
93.07050	61.9
95.04974	36.5
103.05473	17.3
105.04536	11.0
105.07035	32.5
106.07822	3.3
111.04450	1.4
119.08578	5.5
121.02905	3.8
121.04073	1.5
121.06516	100.0
121.10143	21.8
122.06846	1.5
123.08084	4.0
133.07590	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	1.3
51.02375	3.2
53.03950	33.4
55.01860	2.9
55.05507	1.9
55.71420	0.6
65.03943	6.2
67.05503	1.6
68.36268	0.8
70.09003	1.6
70.09399	2.2
77.03948	4.4
78.04701	2.2
79.05492	10.7
81.03405	3.1
81.07060	0.7
91.05486	85.3
92.05829	2.0
93.07048	47.7
94.07401	1.1
95.04974	35.7
98.20789	1.0
103.05477	11.9
105.04526	11.5
105.07034	14.7
106.07824	1.6
118.06560	0.9
119.08585	1.6
121.02865	3.0
121.06512	100.0
121.10133	9.4
127.97413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.1
53.03705	1.2
53.03946	18.8
55.01861	3.2
55.05509	3.5
65.03941	3.5
70.84586	1.4
77.03920	4.4
78.04708	1.7
79.05494	47.2
81.03407	2.0
81.07060	2.0
91.05485	57.9
92.05817	1.0
93.07044	60.3
94.07357	1.0
95.04971	29.2
103.05472	57.5
104.05786	0.8
105.04536	10.2
105.07033	100.0
106.07868	6.8
107.76889	0.6
119.08575	15.1
120.05672	1.0
121.02872	2.3
121.06510	71.4
121.10144	55.3
122.06814	1.5
123.08067	10.5
133.07634	7.1
137.00087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	2.5
53.03947	14.9
55.01847	2.0
55.05516	9.8
57.02357	1.1
60.63498	1.1
61.78424	1.2
65.03941	7.4
67.05501	3.2
70.81512	2.4
72.06230	1.1
77.03919	4.1
78.04727	6.7
79.05501	58.4
80.05836	1.1
81.03395	1.2
81.07053	3.3
91.05489	73.6
92.05815	1.6
93.07051	85.4
95.04974	18.0
103.05479	24.5
105.04520	5.4
105.07039	100.0
106.04187	3.2
106.07862	9.4
113.75517	1.3
118.06390	1.1
119.08588	14.9
121.02900	3.5
121.06516	26.9
121.10152	67.1
122.10502	1.4
123.08085	11.4
133.07602	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.7
53.03952	15.5
55.05512	10.1
58.60926	1.3
59.58919	1.5
65.03941	2.0
67.05512	8.1
69.96231	1.5
70.99685	2.6
74.25561	1.4
77.03913	3.9
79.05498	74.2
81.07037	2.4
91.05485	47.8
91.77880	1.3
93.07051	100.0
94.07399	2.1
95.04979	19.1
103.05488	17.8
105.04530	5.7
105.07037	84.7
106.07858	7.2
119.08590	13.3
121.02885	1.8
121.06509	3.4
121.10149	55.7
122.10450	1.8
123.08063	9.4
133.07625	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03955	10.3
55.05516	7.8
65.03955	4.2
67.05504	2.2
69.83160	0.6
70.66024	0.9
70.66331	1.2
71.43120	0.6
77.03954	2.4
79.05502	34.6
80.05836	0.7
81.03416	1.1
81.07065	5.0
91.05492	45.5
91.59019	0.7
93.07054	100.0
94.07391	1.7
95.04984	15.4
101.24444	0.6
103.05479	6.4
105.04548	4.5
105.07044	31.7
106.07816	3.7
119.08593	6.2
121.02881	3.8
121.06514	2.7
121.10154	24.5
123.08089	2.4
125.94948	0.7
133.07614	1.6
137.58582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02379	0.9
53.03949	10.7
55.01862	0.8
55.05517	8.4
56.43984	0.7
63.86527	0.7
65.03939	2.2
67.05510	2.4
70.51416	2.1
77.03942	3.2
79.05496	35.5
80.05853	0.7
80.06264	1.1
81.07065	5.9
91.05487	42.0
93.07049	100.0
94.07358	1.3
95.04967	12.0
103.05471	7.0
105.04517	4.7
105.07039	29.7
106.07842	4.5
118.21384	0.6
119.08614	5.4
121.02866	2.2
121.06490	1.9
121.10149	22.7
123.08057	2.7
133.07625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	1.7
53.03952	11.6
55.01885	1.7
55.05517	8.9
55.93250	1.1
57.02089	1.4
58.06224	1.1
65.03934	1.4
67.05518	6.6
69.68863	5.1
70.90161	1.3
77.03951	2.8
79.05502	68.5
80.06306	1.2
81.07056	3.3
91.05489	45.8
93.07054	100.0
94.07364	1.4
95.04977	15.6
103.05473	16.1
105.04543	3.8
105.07043	71.4
106.07870	7.8
119.08587	9.8
121.06514	2.2
121.10162	53.2
121.11040	2.7
123.08107	7.5
133.07622	4.1
137.08792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.24852	0.8
51.02378	1.6
52.75633	0.7
53.03705	1.1
53.03954	21.3
55.01877	1.9
55.05512	6.9
57.36644	0.7
63.88157	0.8
65.03951	2.1
67.05499	3.3
70.37874	0.6
71.14681	1.3
77.03925	3.6
78.04743	1.0
79.05501	44.9
80.06305	0.8
81.03403	2.0
81.07072	4.1
91.05489	66.4
92.05815	2.0
93.07054	100.0
94.07393	1.7
95.04979	25.0
103.05482	15.9
105.04533	7.7
105.07040	60.3
106.07883	5.6
117.07023	0.7
119.07782	1.1
119.08589	10.2
121.02921	0.8
121.04029	1.0
121.06521	33.6
121.09306	1.6
121.10149	45.1
123.08074	5.2
133.07573	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	1.1
53.03735	1.2
53.03953	12.7
53.72822	0.8
55.01878	0.9
55.05515	8.3
61.14946	0.8
65.03938	1.5
67.05495	3.1
69.79633	1.8
69.80047	3.2
77.03922	2.5
78.90980	0.9
79.05500	47.8
81.03423	2.1
81.07060	4.9
81.90467	1.0
87.50583	0.9
91.05491	44.9
93.07053	100.0
94.07407	2.2
95.04980	18.3
98.20834	1.3
103.05488	12.5
105.04564	4.2
105.07042	61.7
106.07847	6.2
113.09780	0.8
114.20085	0.9
119.08583	9.0
121.02928	1.0
121.06509	1.9
121.10155	45.7
123.08076	4.6
133.07599	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99028	0.7
53.03951	12.2
55.05515	8.9
58.54795	0.7
60.11702	0.6
67.05515	2.2
70.47913	1.5
70.48309	1.7
77.03934	2.4
79.05500	34.3
79.05967	1.6
80.06255	1.7
81.03401	0.8
81.07074	4.8
91.04909	1.0
91.05489	39.4
93.07053	100.0
94.07397	2.2
95.04980	13.2
103.05472	7.0
105.04534	4.2
105.07037	31.9
106.07814	3.0
119.08560	4.4
121.06478	1.0
121.10152	26.2
122.10466	1.0
123.08073	3.3
133.07631	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.0
55.05513	9.3
63.02344	0.7
67.05513	1.5
70.61327	1.5
70.61697	1.8
77.03925	2.4
77.34064	0.7
79.05499	36.3
79.05964	1.8
80.06284	1.5
81.07088	4.5
88.56876	0.8
91.05488	46.0
93.07050	100.0
94.07391	2.1
95.04970	12.7
103.05474	9.1
105.04517	3.3
105.07039	38.6
106.07806	3.3
106.69788	0.9
111.81373	0.9
112.87138	0.8
119.08593	7.7
121.06546	1.8
121.10152	28.8
123.08093	3.0
132.53493	0.7
133.07613	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03742	1.2
53.03953	14.3
55.05517	8.9
58.98070	0.8
60.01205	0.8
65.03947	1.7
67.05512	6.9
71.56163	1.7
77.03912	2.9
79.05501	64.0
80.05808	1.2
80.06259	1.7
81.03371	1.1
81.07072	4.6
84.78165	0.9
91.05494	41.3
93.07054	100.0
94.07342	1.9
95.04981	18.1
103.05486	16.4
105.04581	4.9
105.07040	75.1
106.07870	7.6
113.56471	0.9
119.08594	11.9
121.02897	2.7
121.06558	5.6
121.10155	53.8
123.08076	10.2
133.07629	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	1.6
53.03946	14.9
55.05508	10.5
65.03935	3.9
67.05515	6.2
70.66249	1.6
70.66589	2.1
71.47204	1.2
77.03930	1.8
78.04704	1.2
79.05496	69.5
80.06284	2.0
81.03425	1.4
81.07062	3.8
91.05484	45.9
92.79598	1.2
93.07048	100.0
94.07372	1.3
95.04979	16.6
103.05463	21.2
104.05791	1.2
104.62915	1.4
105.04521	8.1
105.07036	87.7
106.07838	8.0
108.99385	1.1
109.82761	1.2
119.08588	10.7
121.02863	5.3
121.03952	2.1
121.06517	9.4
121.10149	57.4
123.08098	9.0
133.07639	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
58.99866	2.2
69.73845	9.5
78.44247	1.5
78.52914	1.5
82.01453	25.7
82.99866	1.5
100.02489	100.0
101.00889	14.4
109.10096	1.4
118.03522	39.2
119.01929	41.4
137.02974	12.7
142.03493	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
58.99866	2.2
69.73845	9.5
78.44247	1.5
78.52914	1.5
82.01453	25.7
82.99866	1.5
100.02489	100.0
101.00889	14.4
109.10096	1.4
118.03522	39.2
119.01929	41.4
137.02974	12.7
142.03493	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63159	1.9
57.03436	5.8
69.53529	11.6
69.53944	6.0
82.01453	25.7
85.02878	2.3
88.02679	2.4
100.02490	100.0
100.03146	5.3
101.00879	18.3
101.02624	3.1
118.03532	42.2
119.01933	47.0
131.01903	3.1
136.86577	2.0
137.02969	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	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.0
51.02380	4.6
53.03952	9.7
55.01860	1.5
55.05511	2.8
57.07080	3.0
59.02187	0.5
65.03936	2.2
67.05508	17.2
69.07085	1.2
73.77389	0.5
76.96181	0.5
77.03932	11.9
79.05496	7.9
80.05017	4.4
81.03416	1.4
81.07063	53.2
82.07388	0.8
93.07064	1.3
94.07831	0.6
94.75838	0.5
95.04976	26.5
95.08612	8.6
96.04521	1.3
100.02465	0.7
105.03401	12.6
105.04475	2.8
105.07043	0.6
106.02918	0.5
108.05756	1.4
112.04016	0.5
117.78433	0.5
123.04440	100.0
123.05509	7.7
123.08057	5.5
123.11720	11.9
124.03954	1.8
124.04768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.0
51.02385	4.4
51.20888	0.4
53.03707	0.6
53.03953	9.2
55.01883	2.2
55.05528	2.3
57.07079	0.8
60.23264	0.4
65.03932	2.0
67.05513	16.3
70.80556	0.7
70.80875	1.0
72.25224	0.5
77.03938	11.9
78.03444	0.9
79.05504	6.4
80.04572	0.7
80.05025	12.2
81.03405	1.8
81.07064	28.1
82.01407	0.5
91.05479	0.8
93.07026	1.7
94.06548	0.7
95.04980	29.5
95.08615	8.5
96.04504	4.7
100.02510	2.1
105.02715	0.9
105.03400	13.7
105.04476	3.2
105.07036	1.2
106.02942	0.5
108.05746	2.7
112.03954	0.7
118.03490	1.0
119.01949	0.9
123.04427	100.0
123.05531	28.5
123.08062	10.6
123.08972	1.0
123.11725	6.4
124.03931	3.9
124.04787	1.2
124.07525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01602	1.3
51.02385	4.6
52.99150	0.5
53.03734	0.7
53.03953	6.0
55.01875	1.4
55.05501	1.9
57.07067	2.2
65.03930	1.7
67.05177	0.8
67.05511	12.9
69.07078	0.9
69.67163	1.2
69.67578	2.0
77.03936	11.9
79.05497	7.3
80.05036	2.0
81.03421	1.0
81.07063	33.9
93.07033	0.9
95.04977	14.3
95.08617	7.7
96.04485	0.7
98.20842	1.0
102.13142	0.4
102.97420	0.4
105.03406	13.1
105.04471	3.3
106.53506	0.5
108.05745	0.8
113.67397	0.5
121.10139	0.9
123.04440	100.0
123.05468	3.4
123.08062	5.8
123.11716	8.4
124.03964	1.1
124.04781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02377	1.7
51.47234	1.1
53.03950	12.4
55.01877	21.4
55.05510	1.6
57.03439	4.1
58.06602	1.7
58.99867	3.3
61.02923	3.5
62.99077	1.1
65.03945	15.0
67.05508	56.9
68.05023	1.0
68.99800	1.4
69.03431	4.7
69.78188	4.7
70.99855	1.2
71.01343	1.8
72.22165	1.3
73.02930	2.6
75.01948	1.4
77.00915	2.3
77.03930	4.3
78.03435	1.9
78.06328	2.4
78.52968	1.9
79.05495	4.8
80.05021	22.7
81.03429	20.7
81.07056	9.3
82.01450	19.8
85.02941	1.6
86.12241	1.1
88.02672	4.1
89.67387	1.1
93.07040	1.9
94.04217	2.1
95.04972	76.1
95.08623	3.3
96.04510	10.7
97.02867	5.3
100.02488	100.0
101.00873	14.4
101.02588	3.4
102.02386	1.8
103.02425	1.4
105.03427	4.2
105.04527	3.8
105.07024	1.6
106.02918	1.5
111.02924	1.8
112.03999	1.6
113.00857	1.4
114.04063	1.5
115.02458	2.1
117.10294	2.0
118.01077	1.2
118.03523	55.5
119.01039	2.4
119.01923	61.4
123.04438	65.7
123.05560	51.0
123.07999	5.8
123.09161	1.2
123.11739	1.8
124.03967	26.8
124.04790	1.3
124.07584	1.5
131.01874	6.0
132.05133	1.1
133.03479	2.7
137.02959	14.4
142.03516	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	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02370	3.7
53.03956	16.6
55.01878	21.2
55.45169	1.1
57.03439	3.9
58.99865	3.1
61.02927	3.3
65.03949	16.5
67.05511	58.9
69.03447	6.2
69.77660	7.0
71.01352	2.3
73.02893	1.7
77.03918	5.7
78.06317	1.5
78.52944	3.3
79.05476	5.3
80.05031	17.8
81.01934	2.4
81.03421	21.2
81.07064	6.8
82.01445	23.4
82.06551	1.4
85.02908	1.5
86.52696	3.1
88.02676	2.0
94.04214	1.4
95.01350	2.0
95.01966	1.3
95.04976	83.0
95.08603	2.7
96.04493	9.9
96.05084	1.4
96.05311	1.4
97.02864	2.6
98.26124	1.4
98.52682	1.4
99.84187	1.5
100.02493	100.0
101.00896	13.2
101.02578	2.8
102.02376	3.1
105.03400	5.6
105.04511	4.5
106.02922	1.4
110.81630	1.1
113.00912	1.8
115.32802	1.2
118.03533	52.5
119.01933	44.4
119.03633	2.2
121.01637	1.5
123.04430	96.8
123.05544	44.8
123.08039	6.2
123.11683	2.8
124.02531	1.9
124.03965	18.8
131.01910	7.5
137.02971	12.5
140.03439	1.3
142.03510	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	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03953	6.7
53.04153	1.2
55.01864	1.7
55.05515	21.3
57.07069	3.5
61.03311	0.9
64.57146	0.9
65.03937	4.2
67.05508	100.0
69.07054	2.9
70.32925	3.6
74.05144	1.0
79.05131	1.3
79.05502	15.9
80.05019	21.2
80.06258	1.9
80.41608	0.9
81.03426	6.7
81.07061	86.2
82.01473	1.1
82.07368	1.4
83.04948	1.3
91.05490	5.7
93.07042	18.0
95.04973	17.4
95.08610	80.4
96.04501	10.3
96.08928	1.6
100.02478	2.1
103.05457	1.4
105.04502	2.2
105.07053	6.0
105.15565	0.9
107.04969	4.0
108.05751	20.9
108.09391	1.4
112.03984	1.5
118.03510	1.1
121.06531	2.9
121.10092	1.3
123.04459	6.0
123.05563	42.2
123.08072	63.3
123.11703	20.7
124.03957	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02386	0.8
53.03947	7.4
55.01871	2.5
55.05514	12.0
57.07083	5.5
65.03937	2.4
67.05511	50.8
68.05853	0.9
69.07060	2.3
70.22958	2.1
70.23312	1.0
74.14162	0.6
77.03927	1.7
79.05499	27.2
80.05025	5.0
80.05849	0.6
80.06278	1.5
81.03424	3.5
81.07062	100.0
82.04198	0.6
82.07406	1.2
83.04980	1.6
91.05489	10.0
93.07053	17.2
94.07854	0.7
95.04978	18.5
95.08613	52.4
96.04483	1.9
96.08941	1.3
103.05473	4.2
105.04519	2.8
105.07037	19.2
106.07393	1.0
107.04965	6.1
108.05750	27.5
108.09393	1.1
121.06496	4.5
121.10114	1.7
123.04456	5.9
123.05562	12.3
123.08079	82.1
123.11710	22.4
124.03951	1.7
124.08431	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.32992	0.7
50.75388	0.6
51.02371	1.0
53.03737	0.8
53.03956	6.1
55.01874	1.7
55.05267	1.1
55.05519	20.3
57.07068	2.7
64.71028	0.7
65.03941	4.1
65.19070	0.7
67.05510	78.2
68.05850	0.8
69.03435	1.4
69.07079	1.6
69.14836	0.7
69.51752	5.0
77.03918	1.5
78.04722	0.9
79.05495	15.9
80.05026	8.9
80.06271	1.7
81.03416	6.6
81.07063	68.0
82.07403	1.0
83.05009	1.0
91.05495	4.8
93.07050	15.8
94.07854	1.2
95.04979	44.8
95.08613	56.6
96.04497	4.1
96.05275	0.8
96.08928	0.8
97.51306	0.6
100.02522	1.9
103.05502	1.3
105.03404	1.8
105.04515	1.6
105.07028	5.2
106.02919	0.7
107.04970	2.5
108.05736	10.4
118.03500	0.7
121.06480	1.2
121.10165	1.0
123.04451	14.3
123.05565	18.8
123.08076	100.0
123.11710	13.6
124.03977	3.6
124.08442	1.3
131.00223	0.9
132.23338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03947	4.3
55.01870	1.0
55.05514	9.3
57.07074	2.9
57.09227	0.4
65.03941	1.7
66.04704	0.5
67.05508	38.3
68.05858	0.6
69.03452	0.5
69.07059	1.8
69.60035	3.3
70.52858	0.5
72.23701	0.5
77.03928	0.8
78.03458	0.5
79.05499	22.5
80.05025	14.4
80.06275	0.7
81.03432	2.5
81.07062	100.0
82.07404	1.0
91.05486	2.0
93.07056	8.2
94.07846	0.7
95.04967	13.6
95.08612	36.2
96.04510	5.4
96.09007	0.8
100.02502	1.7
103.05485	1.6
105.03405	0.8
105.04530	1.2
105.07027	7.5
106.02908	0.8
107.04951	1.3
108.05758	5.1
108.09380	0.7
112.03954	1.4
116.47356	0.6
118.03523	1.5
121.06536	1.2
121.10072	0.9
123.04453	8.2
123.05557	31.9
123.08075	50.4
123.11712	15.5
124.03958	6.8
124.07561	1.0
124.08389	0.8
140.03448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
51.02373	0.9
53.03947	7.1
54.54217	0.7
55.01871	1.5
55.05270	1.4
55.05519	22.9
55.22878	0.8
57.07078	5.6
65.03949	6.1
67.05512	100.0
68.05024	0.9
68.05840	1.5
69.07063	2.7
69.75090	0.9
71.55711	1.4
76.48244	0.9
77.03947	0.8
78.03460	1.7
79.05062	1.7
79.05501	25.4
79.05962	1.5
80.05027	24.3
80.06268	2.8
81.03440	4.7
81.07063	99.3
83.04979	1.5
91.05492	4.5
91.86134	0.8
93.07057	17.4
94.07880	0.8
95.04982	18.3
95.08615	80.8
96.04504	11.1
96.08945	1.3
100.02499	2.8
103.05472	0.9
104.45630	0.9
105.03388	1.1
105.04523	2.0
105.07023	6.4
106.02942	1.7
107.04961	3.8
108.05746	20.8
112.03986	2.1
118.03478	1.0
121.06513	2.9
121.10155	1.7
123.04475	6.6
123.05561	50.2
123.08081	64.7
123.11711	25.9
124.03964	11.4
124.07607	1.0
124.08437	1.6
139.21880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02383	1.3
53.03942	7.5
55.01867	1.5
55.05516	7.1
57.07074	5.2
60.25840	0.5
60.32396	0.6
65.03957	2.8
67.05506	41.9
69.03418	1.3
69.07053	3.1
71.56903	0.7
77.03923	1.2
78.03455	1.3
79.05494	27.2
80.05019	19.7
80.06292	3.1
81.03423	4.8
81.07057	95.0
82.07388	1.7
90.04708	1.0
91.05502	2.2
93.07052	7.5
94.07832	0.9
95.04969	19.6
95.08607	53.1
96.04496	9.4
100.02504	3.3
103.05477	2.7
105.04520	1.9
105.07027	15.3
106.02890	1.2
107.04958	12.1
108.05738	70.0
108.09424	0.7
109.06075	1.1
112.03953	1.8
118.03543	2.8
121.06505	11.8
121.10110	1.6
123.04455	8.3
123.05556	43.9
123.08067	100.0
123.11703	18.5
124.03954	10.2
124.07579	1.2
124.08461	1.8
125.05980	0.7
133.07529	0.9
135.05545	0.8
140.03362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86066	0.4
53.03949	1.8
55.05521	4.2
57.07078	5.5
65.03948	1.2
67.05508	16.6
69.07070	2.8
71.46431	0.7
78.63228	0.4
79.05499	16.1
80.05027	4.3
81.03425	1.0
81.07063	100.0
82.07390	1.4
83.55800	0.4
93.07045	2.4
93.79324	0.5
94.07822	0.8
95.04975	3.2
95.08611	14.3
96.04519	2.3
97.89056	0.5
100.02524	0.8
105.04539	0.5
105.07027	1.0
108.05752	1.6
108.09398	0.8
121.10139	1.4
123.04462	1.9
123.05563	9.4
123.08081	4.4
123.08897	0.7
123.11711	23.5
124.03975	2.3
124.12067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03948	2.6
53.92259	0.5
55.05511	4.4
57.07080	6.1
57.73385	0.5
65.03938	1.3
67.05510	14.1
68.49691	0.6
69.07069	3.4
70.14886	0.6
70.15224	2.1
72.06287	0.5
78.03459	0.6
79.05497	15.1
80.05017	8.5
80.32544	0.5
81.07060	100.0
82.01443	0.6
82.07400	0.9
93.07034	2.6
94.07858	1.0
95.04979	5.2
95.08609	16.3
96.04497	3.9
98.21352	0.7
101.31300	0.5
105.07039	1.6
108.05728	2.2
118.03507	0.5
121.10146	1.6
123.04462	2.1
123.05552	16.1
123.08069	5.4
123.11716	22.4
124.03957	2.4
124.12070	0.7
140.03392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
51.00137	0.6
53.03953	2.0
55.05519	3.8
57.07074	5.8
60.65084	0.6
65.03934	0.8
67.05512	13.5
67.61864	0.6
69.07070	3.5
70.59876	1.4
79.05498	14.9
80.05021	2.3
81.07063	100.0
82.07394	1.0
93.07042	2.1
94.07840	1.6
95.04984	1.9
95.08611	16.2
96.04498	1.0
105.07031	0.8
108.05733	1.3
108.09383	0.8
116.11702	0.7
121.10120	0.9
123.04490	1.0
123.05559	6.3
123.08092	2.6
123.11717	23.9
124.03966	1.1
140.82629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72030	0.5
53.03711	0.6
53.03951	1.3
55.05521	4.7
57.06874	0.5
57.07083	6.4
65.03947	1.1
67.05172	0.9
67.05513	13.1
68.05817	0.5
69.07077	2.8
71.44876	0.7
79.05501	14.1
80.05043	3.7
81.03422	0.7
81.07064	100.0
82.07376	1.3
86.36469	0.5
93.07066	2.6
94.07819	1.1
95.04976	2.2
95.08613	15.6
95.32526	0.5
96.04481	1.8
104.87374	0.5
108.05747	0.6
108.09374	1.2
121.10143	1.0
123.04546	1.0
123.05545	7.5
123.08087	2.4
123.11720	20.5
124.03917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.01873	1.6
55.05515	5.8
57.07079	5.1
65.03928	2.1
67.05507	19.7
69.07063	2.6
70.54662	0.5
70.55013	1.2
77.03941	1.2
78.03471	0.5
79.05495	19.4
80.05025	8.2
81.03419	2.0
81.07059	100.0
82.01446	0.5
82.07397	0.8
93.07058	3.3
94.07831	0.9
95.04974	20.8
95.08610	18.5
96.04498	4.3
96.05296	0.6
98.20902	0.5
100.02490	1.2
105.03435	0.9
105.04519	1.4
105.07021	1.1
108.05736	1.3
108.09352	0.8
112.03968	0.6
118.03522	0.9
119.01942	1.6
121.10149	1.2
123.04440	13.0
123.05553	18.9
123.08070	13.6
123.09089	0.6
123.11712	21.0
124.03958	4.1
124.07590	0.5
140.03415	0.6
140.67404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03947	1.8
55.05512	4.5
57.07080	5.3
65.03931	1.3
67.05508	14.1
69.07066	3.2
69.41711	3.7
77.49841	0.4
79.05495	17.1
80.05025	5.7
81.03454	0.6
81.07062	100.0
82.07404	1.2
91.05476	0.6
93.07043	2.4
94.07835	0.9
95.04987	4.1
95.08615	14.3
96.04504	2.0
100.02489	0.7
105.07022	1.2
108.05753	0.6
108.09380	1.0
112.03908	0.4
118.03524	0.5
121.10132	1.9
123.04430	2.3
123.05552	8.6
123.06361	0.3
123.08057	3.6
123.08888	0.6
123.11710	20.9
123.91602	0.5
124.03980	2.1
124.11996	0.8
126.94089	0.5
140.87509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05519	4.7
57.07079	5.0
58.65591	0.6
65.03947	0.7
67.05170	1.0
67.05513	14.3
69.07080	4.1
71.45461	1.1
79.05499	15.0
79.39130	0.6
80.05037	4.1
81.07065	100.0
82.07423	1.2
86.38140	0.5
93.07038	1.4
93.86765	0.5
94.07858	0.8
95.04977	2.2
95.08622	14.5
96.04509	2.0
104.00488	0.6
104.75091	0.5
105.06991	0.7
108.09371	0.8
121.10175	1.6
123.04557	0.9
123.05565	7.8
123.08067	2.6
123.11721	21.7
124.03985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
50.10857	0.5
53.03951	2.0
55.05514	3.7
57.07077	5.3
65.03964	0.7
66.04728	0.5
67.05510	13.1
69.07079	3.1
70.48169	0.7
71.95407	0.5
79.05500	16.9
80.05050	3.2
81.07066	100.0
82.07404	1.0
93.07056	1.9
94.07848	0.7
95.04989	2.2
95.08620	15.4
96.04520	1.3
108.09375	0.9
118.43017	0.5
121.10133	1.4
123.04665	0.7
123.05550	6.4
123.06362	0.6
123.08094	2.2
123.09221	0.5
123.11722	21.8
124.03965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.8
51.02385	5.0
53.03948	11.1
55.01876	2.1
55.05511	4.1
57.07079	6.2
63.33340	0.7
65.03941	1.9
67.05510	23.0
69.07074	2.4
69.25291	7.2
77.03931	11.7
79.05499	19.3
80.05019	5.7
81.03418	1.9
81.07062	100.0
83.08609	0.8
88.31803	0.7
93.07062	2.3
94.07802	1.0
95.04977	29.7
95.08611	18.0
96.04500	3.0
100.02484	1.2
105.03408	14.7
105.04484	3.9
105.07017	1.6
108.05747	3.0
108.06868	0.7
108.09410	0.9
121.10162	1.7
123.04443	97.0
123.05524	11.7
123.08062	7.5
123.10818	1.4
123.11711	24.8
124.03957	3.2
124.04812	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
52.50149	0.4
53.00305	0.6
53.03951	5.3
54.41670	0.4
55.01880	1.5
55.05515	6.1
56.87742	0.4
57.07080	4.7
62.17787	0.5
65.03955	2.1
67.05510	30.1
67.29248	0.4
68.05058	0.5
69.03429	0.5
69.07070	3.3
71.19900	0.7
75.59381	0.4
77.03930	1.9
78.03450	1.0
79.05499	20.8
80.04561	0.8
80.05022	12.0
80.05761	0.5
80.06281	0.9
81.03436	2.5
81.07061	100.0
82.07392	1.0
91.05485	1.3
91.99606	0.5
93.07051	5.5
94.07835	1.1
95.04977	21.8
95.08612	33.3
96.04503	4.7
100.02488	2.4
103.05493	0.6
105.03407	1.2
105.04523	1.4
105.07030	6.5
106.02941	0.6
107.04957	3.9
108.05749	22.2
108.09399	0.5
112.03955	1.4
118.03534	1.9
119.01936	0.9
121.06521	3.5
121.10167	1.4
123.04449	16.3
123.05562	25.9
123.08074	39.8
123.11714	23.3
124.03960	5.2
124.07575	1.0
124.08440	1.1
124.12039	0.5
135.05559	0.5
137.03033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51962	0.2
56.73794	0.2
62.24678	0.3
70.50806	0.6
80.05002	0.3
82.01452	0.3
82.99854	2.5
83.01480	0.3
95.52592	0.2
97.02890	0.5
98.21467	0.2
100.02499	0.8
101.00891	27.0
101.02551	1.3
102.01002	0.6
118.03544	0.4
119.01933	100.0
120.02011	2.7
121.02392	0.6
124.02464	0.4
124.03959	0.7
133.03522	0.9
137.02971	28.8
138.03047	0.5
142.03519	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29678	0.2
57.40078	0.2
70.98795	0.2
70.99121	0.4
70.99850	0.2
78.97044	0.2
82.01428	0.3
82.99844	1.8
83.01515	0.6
91.18242	0.2
96.93851	0.2
98.18035	0.2
100.02483	1.2
101.00884	26.3
101.02557	2.3
102.00963	0.4
102.02222	0.6
118.03540	0.7
119.01923	100.0
120.01995	2.5
120.03214	0.2
121.02385	0.4
124.02458	0.6
133.03471	0.7
137.02960	29.7
138.03061	0.9
139.03329	0.3
142.03503	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18969	0.4
50.85735	0.3
55.01883	0.4
57.03439	0.5
58.99866	1.5
59.07409	0.3
69.04475	0.3
69.94431	1.7
70.99857	2.1
77.00916	1.5
80.05017	2.7
81.04543	0.4
82.01460	0.8
82.99845	2.4
83.01545	1.3
89.00921	1.2
95.01970	0.4
96.04494	2.6
97.02921	0.6
100.02484	2.4
101.00890	28.4
101.02563	4.7
102.00993	0.5
102.02238	1.6
103.00644	0.3
107.01994	0.3
112.04000	0.4
117.41657	0.3
118.03533	0.9
119.01928	100.0
119.03603	2.6
120.02005	2.5
120.03270	0.8
121.01645	0.5
121.02422	0.4
124.02474	0.9
124.03958	14.2
124.07632	0.7
133.03462	1.0
137.02963	25.8
138.03038	0.6
142.03513	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.00306	1.1
53.03943	2.2
54.62007	1.0
55.01860	3.8
55.05517	12.1
57.03422	1.1
65.03928	1.6
67.05509	3.6
69.03435	100.0
69.07073	5.5
69.25401	8.3
69.25809	2.4
69.67247	1.0
70.03768	1.4
71.01358	1.6
79.05510	13.7
80.05039	1.9
81.07062	8.1
82.06586	2.4
83.04992	6.6
83.05399	1.1
83.08631	1.6
91.05486	7.2
97.02895	13.7
97.06540	4.7
105.07043	2.2
107.04970	1.5
107.08617	12.4
108.04482	1.9
109.06509	2.0
120.01957	1.2
125.02407	5.6
125.04283	3.7
125.06012	8.2
125.07116	1.6
125.09649	22.7
126.05522	4.1
126.09118	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	127.112
Annotation	Sulcatone
Peak:m/z	Relative Intensity
52.15905	1.1
53.00304	1.5
53.03949	10.2
55.01869	10.8
55.05505	3.1
57.03435	2.7
67.05508	12.1
69.03421	1.6
69.07072	14.1
71.00715	1.7
71.04994	26.6
79.05502	2.2
81.03425	15.9
81.07053	6.6
82.03774	1.1
82.06580	4.0
99.04471	6.5
100.07597	2.2
104.91447	1.1
109.02876	17.9
109.10157	23.5
110.06056	1.3
127.03921	100.0
127.11178	3.9
128.04259	1.3
128.06223	11.3
128.07092	3.9
132.48062	1.2
137.32074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
54.04278	2.0
55.01872	4.5
55.05504	7.7
55.93514	6.8
56.02206	2.2
56.96566	9.3
57.03438	2.3
62.71285	1.6
67.05510	2.1
67.99914	1.9
68.90630	1.8
69.03429	7.4
70.06588	7.9
70.72838	4.5
70.73196	3.1
71.04986	8.4
71.05955	1.7
72.05292	1.8
72.08150	2.1
76.09351	1.8
79.03018	2.6
80.05010	3.4
81.03403	3.5
82.01416	2.6
82.03765	3.4
82.06585	30.7
83.08636	1.8
84.08140	3.3
86.00935	6.2
86.06066	4.4
91.03648	2.1
91.05452	2.2
92.02625	5.4
93.03387	2.8
94.02661	2.0
100.02494	15.1
100.07629	20.2
101.00877	8.3
101.02534	5.4
102.00974	2.0
102.02242	7.9
103.00633	2.3
103.02455	6.3
103.03094	1.8
104.01992	14.7
104.54598	2.1
105.00420	2.3
105.01048	9.5
105.07024	3.0
110.03199	5.8
110.06046	6.6
111.02826	3.0
111.04416	5.1
111.09216	5.2
111.52593	2.1
111.53521	2.2
114.01530	2.1
114.02426	5.9
115.01192	3.1
118.03516	15.8
119.01926	37.1
119.03622	3.0
120.02013	5.1
120.03271	6.1
121.01681	7.0
122.02018	10.4
122.03018	5.8
122.99461	7.6
123.02098	100.0
125.02462	2.9
128.01880	2.2
128.04265	21.2
128.06192	5.0
128.07079	35.4
128.10736	9.2
128.14413	2.2
128.95067	2.8
129.01848	7.6
131.01904	3.8
133.03470	3.0
137.02931	13.0
140.03168	5.7
141.00513	9.2
141.03125	42.4
142.00180	2.0
142.03487	2.8
143.03639	2.1
146.03740	3.8
146.96138	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	128.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.39907	0.4
57.01881	0.4
70.77644	0.7
70.77986	0.8
73.98153	0.4
78.04723	0.8
82.06583	1.4
85.71200	0.4
95.55212	0.4
100.07637	0.8
102.04699	2.4
103.05471	0.4
119.39597	0.4
127.05441	1.5
128.06235	100.0
129.07068	7.6
129.71162	0.4
145.06494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
59.58376	0.5
69.05827	0.5
70.06591	1.2
70.28937	1.2
71.04989	1.7
72.08121	0.6
74.32439	0.5
78.04719	1.1
82.06588	7.0
83.08591	1.0
95.40900	0.5
100.07630	3.5
102.04691	2.4
103.05497	1.2
110.06044	0.7
127.05438	1.2
128.04340	2.5
128.06233	100.0
128.07043	5.7
128.10741	1.4
128.14354	0.8
129.01839	0.7
129.07054	8.2
145.06528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0709
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
53.03938	0.6
55.05515	31.9
56.05035	1.4
56.05863	0.4
59.04985	0.4
67.04252	1.3
69.03428	1.6
70.06586	1.5
71.05000	0.5
71.54155	0.4
74.02454	0.9
79.86524	0.3
80.05016	0.6
82.03762	0.6
82.06586	100.0
83.06110	9.4
83.06912	0.9
83.07376	2.0
84.08154	2.9
86.06082	1.0
100.07623	7.9
110.03223	1.0
110.09689	1.4
125.45708	0.3
128.07092	29.2
128.08017	1.0
128.10735	5.1
129.06628	1.4
133.17482	0.4
146.29114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0701
Annotation	Naphthalene
Peak:m/z	Relative Intensity
59.94819	0.6
60.01659	0.7
69.03423	2.1
70.61050	1.4
70.61445	1.8
70.78033	0.8
83.20142	0.7
84.04506	2.8
84.08157	7.1
87.49807	0.7
99.94709	0.8
103.05489	4.7
112.07613	4.3
115.05474	1.0
115.58046	0.9
119.91125	0.9
127.05479	3.6
128.06238	100.0
129.01846	2.2
129.07047	82.4
130.07304	0.9
130.08664	2.0
145.06483	10.8
149.19374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.07
Annotation	Naphthalene
Peak:m/z	Relative Intensity
53.03928	0.8
53.73562	0.8
55.01868	1.4
55.05510	2.9
55.93519	1.8
56.05030	1.1
57.07087	0.9
69.03437	9.4
69.07058	3.2
70.06575	1.3
71.34914	1.3
83.04971	3.5
83.06131	1.1
83.06902	1.1
83.08578	1.1
84.04505	10.2
84.08149	32.3
87.04446	0.9
97.02914	1.6
100.96828	0.9
101.07910	1.1
103.05471	4.2
111.00809	0.9
111.04438	1.0
112.07616	17.3
115.05462	3.5
127.05447	2.4
128.06236	100.0
129.01869	15.4
129.07056	90.8
130.06502	2.5
130.07774	1.5
130.08678	7.3
145.06470	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72556	0.2
51.02383	0.5
53.03952	3.9
55.01866	0.3
56.64291	0.2
65.03957	0.3
69.03433	0.4
70.74435	0.5
77.03947	0.8
81.03410	0.3
84.04532	0.2
84.08146	0.8
85.04841	0.6
85.08470	2.6
86.09736	0.4
91.05489	29.9
92.05833	0.3
92.37206	0.2
95.04977	5.6
102.04680	1.1
103.05476	100.0
104.05802	2.3
105.04516	1.6
105.07032	0.3
113.07964	1.5
115.05453	2.7
116.06257	8.4
128.06277	0.5
129.07018	4.7
131.04942	12.5
131.05934	0.5
131.08569	24.1
132.08054	0.3
132.08919	0.5
143.06087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60712	0.7
51.02375	0.7
53.03947	2.9
65.03930	1.5
67.15195	0.7
70.63215	0.9
70.63543	1.6
71.63112	0.7
75.54826	0.6
84.08084	0.9
85.08480	1.2
91.05487	100.0
92.05830	2.2
94.20357	0.6
95.04967	3.0
97.92062	0.7
103.05473	37.4
103.97652	0.7
104.05810	1.0
105.07011	1.7
113.07925	1.5
115.05464	9.7
116.06250	29.2
128.06229	2.0
129.07019	16.7
131.04941	8.3
131.08575	88.4
132.08061	0.9
132.08919	2.2
133.06491	0.8
138.35709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03950	2.9
65.03941	1.2
65.91458	0.5
67.39611	0.5
70.21284	1.3
83.16473	0.5
85.08476	2.8
91.05484	100.0
92.05814	1.6
95.04972	2.3
99.34920	0.5
103.05472	37.5
104.05817	0.6
105.04515	0.6
105.07076	0.6
113.07946	1.2
115.05457	8.1
116.06242	26.4
128.06219	1.5
129.07019	16.6
129.08020	0.6
130.07324	1.1
131.04924	6.7
131.08571	91.6
132.08917	2.1
132.50763	0.6
133.06490	1.2
143.06055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
63.51313	0.6
65.03958	0.8
70.60072	1.7
79.08977	0.6
81.92665	0.6
82.04877	0.7
91.05487	100.0
92.05837	2.1
103.05477	4.5
105.07085	1.0
114.70104	0.6
115.05466	8.0
116.06246	31.0
128.06236	1.9
129.07016	17.0
130.07320	0.6
131.08575	89.6
132.08917	2.4
143.06088	0.8
146.36801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34059	0.5
52.81307	0.5
53.03944	1.5
54.96428	0.5
55.49041	0.5
56.94885	0.5
65.03934	1.1
67.67872	0.5
70.75777	1.2
74.49345	0.6
75.81116	0.5
90.17258	0.5
91.05490	100.0
92.05827	1.8
103.05482	7.7
105.07021	0.9
115.05459	7.9
116.06256	28.3
128.06238	1.8
129.06061	0.9
129.07013	16.7
131.08580	99.2
132.08904	2.8
133.06499	1.7
143.06013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01591	0.3
51.02383	1.2
53.03951	5.8
55.01881	0.4
57.46854	0.3
61.30562	0.3
71.04991	0.3
71.21262	0.4
71.21593	0.4
72.93801	0.5
73.06589	0.3
77.03925	2.6
78.03461	0.5
79.05488	0.7
81.03432	0.6
86.06068	0.8
86.09696	1.6
90.90408	0.5
91.05486	2.8
92.05803	0.3
93.07050	0.5
95.04980	7.4
96.04493	1.9
98.68311	0.2
101.29710	0.3
103.05460	0.5
104.05000	73.2
105.03406	2.7
105.04531	2.5
105.05330	1.4
105.07041	6.1
115.05475	0.6
117.05779	0.5
117.07063	0.4
118.07838	0.5
131.08594	0.6
132.04463	100.0
133.02882	1.2
133.04796	1.9
133.06485	0.9
133.07523	0.3
133.10135	4.4
148.72209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.93896	0.5
54.16744	0.4
55.05513	0.8
67.16327	0.5
69.07078	4.2
70.97702	1.1
86.09713	100.0
87.10071	1.5
132.10229	1.0
134.85649	0.4
140.70206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.58152	0.3
51.02377	0.8
53.03951	2.6
55.01873	2.9
55.05520	2.6
65.03960	0.7
66.32815	0.3
67.05502	0.4
77.03932	0.8
79.05501	18.4
80.56155	0.4
91.05488	16.2
93.07050	4.2
95.04968	3.4
98.20751	1.0
103.05483	11.7
105.04543	1.4
105.07038	100.0
106.07376	1.5
107.08620	0.6
115.05478	4.7
116.06274	0.5
117.07047	4.0
118.07809	3.9
129.07007	0.5
131.04932	0.8
131.08575	4.5
131.09406	0.5
133.02922	1.1
133.06509	30.5
133.10141	37.0
134.05962	0.5
134.06856	0.5
134.10466	0.5
134.45172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33726	0.5
53.03942	1.7
55.05514	4.1
57.20198	0.5
61.21249	0.5
65.03929	0.9
69.33418	4.5
70.60017	0.5
77.03913	0.5
78.75764	0.6
79.05505	8.2
89.15761	0.5
91.05489	29.6
92.05807	0.5
93.07046	6.8
95.04967	1.5
103.05485	4.7
104.92721	0.5
105.07039	80.3
106.07382	1.6
107.08605	1.0
115.05470	8.6
116.06226	1.4
117.07031	9.6
118.07815	10.2
131.08568	9.8
133.10139	100.0
134.10480	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.77858	0.3
51.02377	0.4
53.03948	2.2
53.75578	0.3
53.92429	0.4
55.05518	2.7
57.71208	0.3
65.03935	0.7
67.05511	0.9
68.59274	0.3
70.60928	1.0
77.03929	0.8
79.05499	9.4
91.05488	30.9
92.05798	0.5
93.07056	4.5
95.04958	2.0
103.05479	5.8
104.06295	0.5
105.07038	100.0
106.07343	1.9
107.08569	0.8
109.25667	0.3
115.05464	4.6
116.06239	0.6
117.07030	9.7
118.04162	0.5
118.07813	10.9
128.11182	0.3
129.06998	0.6
131.08572	9.4
132.08957	0.4
133.02879	0.6
133.06526	3.9
133.10141	33.3
134.10474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.52206	0.2
53.03947	1.0
55.05505	0.5
63.25144	0.3
64.21832	0.2
65.00752	0.2
71.40443	0.3
71.89748	0.2
75.43529	0.3
77.03968	0.3
79.05501	5.2
91.05492	5.6
91.06038	0.2
93.07053	9.1
95.04967	0.8
103.05485	3.1
105.07038	100.0
106.07367	2.4
115.05458	1.1
117.06970	1.2
118.04162	0.4
118.07815	0.5
130.61598	0.3
131.08580	1.0
133.06525	1.9
133.10141	17.2
134.10452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03951	1.9
55.05518	4.8
57.37479	0.6
65.03951	0.6
67.05509	0.8
71.34386	0.6
71.45821	1.3
72.01884	0.6
79.05513	8.1
82.15833	0.6
84.40226	0.7
91.05491	34.8
92.05805	1.0
93.07041	3.2
95.04990	1.9
103.05476	5.1
105.07042	100.0
106.07390	2.2
106.90234	0.6
115.05458	5.3
116.06216	1.0
117.07028	4.9
118.04200	0.6
118.07826	5.6
122.36366	0.6
125.40716	0.7
125.51030	0.6
126.42776	0.7
131.08592	9.0
133.06514	4.0
133.10143	50.5
134.10464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.48909	0.8
53.03934	2.7
54.00423	0.8
54.13225	0.7
55.05516	5.0
55.17022	0.8
66.92441	0.9
67.05485	1.0
69.48823	0.8
70.84914	2.0
76.13917	1.0
79.05501	9.7
91.05486	36.7
93.07052	7.8
94.28280	0.9
95.04974	2.1
97.92167	0.9
103.05479	5.2
105.07039	100.0
106.07396	2.3
109.45753	0.9
115.05454	6.5
117.07040	7.8
118.07817	7.1
131.08575	10.1
133.06523	1.5
133.10139	72.9
134.10475	1.7
150.77008	0.8
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
50.19057	0.8
53.03947	1.8
55.05506	3.3
57.68847	0.7
65.03947	0.9
67.05509	1.0
71.16903	1.8
79.05498	9.2
84.99572	0.8
91.05488	29.2
93.07048	6.0
95.04964	1.8
103.05487	5.8
105.07036	78.5
106.07346	1.3
107.08617	1.8
115.05455	6.5
116.06254	1.6
117.07018	11.8
118.07821	11.1
131.08582	13.3
133.06516	2.8
133.10136	100.0
134.10472	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06777	0.5
53.03946	2.5
55.05522	2.6
63.25220	0.5
65.03927	1.0
67.05508	1.2
69.62809	1.4
69.63240	1.7
77.03922	1.0
79.05502	8.3
91.05487	24.6
92.05807	0.5
93.07055	6.9
95.04965	1.6
103.05469	4.3
105.07040	70.4
106.07368	1.3
107.08594	1.4
115.05459	8.3
116.06264	1.1
117.07029	8.2
118.07026	0.8
118.07819	9.8
129.07030	1.1
131.08585	8.3
133.06531	2.9
133.10143	100.0
134.10455	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	2.4
55.05511	3.6
67.05509	0.8
71.35711	1.6
77.03908	1.1
79.05497	10.4
91.05491	33.0
92.05788	1.5
93.07059	7.2
95.04964	2.4
100.03912	0.7
103.05486	5.2
105.07037	99.8
106.07349	2.1
107.08568	1.3
115.05460	8.0
116.06226	2.1
117.07032	9.9
118.07815	10.1
129.07010	1.1
131.08569	11.3
133.06544	6.3
133.10138	100.0
134.10458	2.6
134.55428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05504	3.1
56.38429	0.7
65.03937	1.2
69.32674	5.5
69.33096	2.9
76.42127	0.8
79.05496	11.5
91.05485	29.6
93.07037	7.0
93.31866	0.9
95.04983	1.9
97.23634	0.9
98.21565	1.7
103.05486	5.2
105.07036	100.0
106.07343	2.0
107.08592	2.0
115.05443	8.2
116.06253	1.2
116.96229	0.8
117.07037	9.8
118.07800	10.1
131.08571	11.2
133.06514	3.2
133.10136	92.0
134.10493	2.3
139.30656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	1.8
55.05509	3.0
55.68705	0.7
65.03917	0.8
67.05479	0.6
67.34582	0.6
70.71282	1.3
70.71622	1.3
79.05494	7.8
80.57101	0.6
91.05485	27.3
93.07045	7.1
95.04992	1.6
100.70467	0.7
103.05463	5.1
105.07038	70.2
106.07343	1.1
107.08643	1.5
115.05468	7.2
116.06248	1.7
117.07033	10.1
118.07806	10.5
129.07030	0.9
131.08575	10.4
132.28941	0.6
133.10139	100.0
134.10464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.05510	2.9
57.82502	0.7
58.09282	0.7
63.82628	0.7
65.03889	0.7
67.05489	0.9
70.04996	3.5
77.03925	1.7
79.05502	10.4
91.05495	21.7
93.07055	6.3
95.05021	1.3
103.05473	5.2
105.07043	70.7
106.07375	1.2
107.08578	1.9
115.05464	7.0
116.06274	1.1
117.07040	9.1
118.07818	10.7
129.07069	0.7
131.08580	9.1
133.06615	3.4
133.10146	100.0
133.60280	0.8
134.10503	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.99067	0.5
53.03942	1.4
55.05507	1.7
56.99181	0.4
65.03948	0.8
67.05524	0.6
71.36195	0.8
76.81391	0.4
79.05500	6.9
91.05487	19.3
93.07055	7.1
95.04985	1.3
103.05481	3.4
104.06300	0.6
105.07039	56.6
106.07401	0.7
107.08608	1.6
111.18796	0.4
115.05466	7.8
116.06189	0.8
117.07043	8.4
118.07812	9.2
129.07031	1.0
131.08582	8.9
133.10141	100.0
134.10469	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86016	7.3
51.99157	4.9
52.48013	5.9
53.03956	7.2
55.01871	9.6
56.96582	33.5
57.03435	24.8
59.99655	5.1
61.54224	5.2
62.66348	5.0
62.71403	5.7
69.03416	15.5
69.75282	33.1
72.52985	6.5
73.02919	15.4
76.79150	4.9
79.05489	18.5
81.03416	8.0
82.01453	14.4
83.89504	5.4
85.02951	7.1
86.52692	17.6
88.02697	12.4
88.51768	5.1
91.05483	16.1
93.01883	7.8
93.07054	8.2
93.53478	9.3
95.04980	9.1
95.53254	9.6
96.93375	5.4
98.21515	7.4
100.02493	64.0
100.52451	6.6
101.00890	28.3
102.02334	13.2
103.02421	9.2
103.53714	7.5
105.07030	8.6
106.06576	11.2
106.07305	7.4
107.04956	13.7
107.08631	8.6
111.02952	9.3
111.53531	7.2
113.00882	6.1
115.02432	9.9
116.98643	7.7
117.07053	8.2
118.03535	34.9
119.01925	100.0
119.02720	9.7
119.53271	6.3
120.02026	19.6
120.03282	8.4
120.04189	11.1
121.01672	20.4
124.02441	10.2
127.03926	12.9
128.97864	11.9
129.04002	17.3
131.01900	37.3
131.02722	5.4
131.56900	6.1
133.03455	14.5
134.04871	5.8
134.06030	15.5
134.09662	7.7
135.04428	11.0
135.08047	9.1
137.02968	19.7
137.50024	12.5
138.00101	6.0
138.03090	7.8
139.02672	7.1
142.03513	45.8
143.03630	10.7
144.03278	12.4
145.06544	5.5
147.01347	5.9
147.05052	17.4
149.02960	6.6
154.03548	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.2
55.01850	4.9
56.05041	6.0
57.03443	22.4
57.05825	3.2
57.07079	22.0
58.99851	7.2
64.46918	2.9
67.05512	55.0
68.05030	5.9
69.03429	17.5
69.07072	3.6
70.02956	2.9
70.06599	93.5
70.99843	3.8
71.04992	32.5
71.34731	6.2
72.08142	10.0
73.02915	27.9
74.02448	67.8
74.06074	14.2
77.00910	4.1
78.52969	3.2
79.02157	3.4
79.05503	4.3
81.03426	5.1
82.01443	7.0
83.07366	7.4
85.02904	8.3
85.06550	100.0
86.52717	5.6
88.02679	13.7
88.03986	36.2
88.07632	18.3
90.09193	5.1
93.01900	8.7
95.37512	3.2
97.02868	4.1
98.06040	14.8
98.09698	44.2
100.02482	21.9
101.00876	31.5
101.20526	3.0
102.00967	4.8
102.02394	13.5
103.02456	4.6
103.05458	3.2
106.06610	3.7
107.04973	6.4
111.02926	6.2
113.00879	7.8
113.53242	4.5
115.02457	3.6
116.07098	5.7
116.10723	28.7
118.03545	10.0
119.01156	4.6
119.01937	52.1
119.53368	6.4
120.01960	4.5
120.03371	4.3
122.19904	3.1
122.53701	3.7
124.02449	17.3
131.01917	28.4
133.03429	5.5
134.06038	12.3
134.07130	3.1
134.08113	11.5
134.10773	3.8
134.11743	25.1
137.02950	4.7
142.03517	44.6
142.81241	3.4
143.03650	5.4
149.02995	3.7
154.03502	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03945	2.8
55.01861	1.6
55.05511	3.3
63.34677	0.5
65.03951	3.7
67.05511	4.2
69.07077	0.9
70.73992	1.5
71.69869	0.5
77.03949	1.3
79.05496	25.4
81.07047	2.0
91.05485	51.0
92.06269	1.5
93.07047	22.2
95.04967	5.1
103.05473	0.5
105.04516	1.4
105.07038	16.9
107.04982	2.5
107.08598	43.4
108.08890	0.7
109.06520	6.4
114.60663	0.5
115.05460	9.0
116.06231	0.6
117.07036	3.5
119.06096	2.7
119.08588	4.7
120.05750	1.0
120.09370	2.2
133.10114	0.8
135.08057	100.0
135.11676	9.7
136.02173	3.2
136.06190	1.7
136.08400	2.0
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	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	7.7
54.52922	1.2
55.01879	12.2
55.05512	7.2
58.01757	1.2
64.84501	1.2
65.03945	11.1
66.51091	1.5
67.05508	9.3
69.03428	9.4
69.69695	5.9
77.03928	1.5
79.05495	67.9
80.05824	1.7
81.07043	5.0
82.55074	1.2
86.60782	1.1
89.03940	1.5
91.05485	100.0
92.06278	2.5
93.06470	2.7
93.07049	47.0
93.07635	2.6
95.04980	11.5
98.20877	1.6
102.20381	1.2
103.05466	4.1
105.04542	3.2
105.07043	37.3
106.04195	1.4
107.04970	6.4
107.08598	88.6
108.08899	1.6
109.06523	14.9
115.05470	22.7
117.07030	15.5
119.06068	7.3
119.08585	9.5
120.05765	1.9
120.09365	4.7
135.04393	5.6
135.08060	53.5
135.10793	2.3
135.11699	16.7
136.02170	6.2
136.06195	2.5
136.08440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Isochavicol
Peak:m/z	Relative Intensity
50.44420	0.4
53.03944	1.8
55.01868	0.6
55.05509	1.4
61.06170	0.4
65.03950	3.9
67.05521	2.7
69.07094	0.4
70.61336	1.3
72.15067	0.4
77.03944	0.6
79.05501	19.2
80.05802	0.6
80.44419	0.4
88.60596	0.4
91.05489	42.5
92.05780	0.7
92.06266	1.2
93.07056	12.5
95.04973	2.7
103.05458	0.5
105.07038	14.6
106.07342	0.5
107.04953	0.8
107.08603	30.6
107.19109	0.4
109.06509	4.5
115.05466	7.3
116.06252	0.6
117.07020	2.2
119.06088	3.1
119.08595	4.4
120.05779	0.6
120.09364	1.4
135.08066	100.0
135.11674	7.3
136.08411	2.5
154.54897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	10.6
54.04842	0.9
55.01889	2.3
55.05268	1.2
55.05518	16.2
57.07071	1.0
61.81111	1.0
65.03942	4.7
67.05506	6.6
69.07065	4.0
70.59226	2.8
77.03931	2.4
78.27309	0.9
79.05502	46.9
81.07055	6.5
91.05491	75.4
92.06271	1.5
93.07053	96.8
94.07348	1.9
94.94232	0.9
95.04979	14.7
105.04517	3.7
105.07042	27.8
107.04980	5.1
107.08606	100.0
108.08947	2.5
109.06518	8.5
115.05455	13.0
117.07034	8.0
119.06092	6.3
119.08603	7.9
120.09367	3.0
133.10167	1.1
135.04410	2.5
135.08069	42.0
135.11707	26.8
136.02177	4.9
136.06189	3.4
136.08408	1.0
139.78598	1.0
151.25177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	8.3
55.05513	11.7
57.07044	1.5
65.03925	2.6
67.05492	4.4
69.07056	2.9
69.24374	1.0
69.92900	1.0
70.37047	4.2
79.05067	1.9
79.05499	30.0
81.07040	4.0
84.38224	1.1
91.05487	65.6
92.06274	1.2
93.07048	74.5
95.04972	10.7
95.08614	2.0
103.05485	1.6
105.04514	2.6
105.07034	26.3
107.04965	3.0
107.08600	100.0
108.08908	2.1
109.06511	9.1
115.05495	1.4
116.34251	1.1
117.07029	2.6
119.06050	3.8
119.07778	1.5
119.08587	16.2
120.09378	5.7
124.05123	1.0
135.04268	1.3
135.08031	10.9
135.10681	2.0
135.11691	34.1
136.02159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86584	0.8
53.03943	6.7
55.05519	8.6
57.07071	1.0
61.93196	0.9
65.03933	2.0
67.05511	7.1
69.07059	4.2
69.34598	3.7
69.35021	4.0
74.86613	0.9
79.05498	32.9
80.05801	0.9
81.07053	7.4
85.62788	0.9
89.03915	1.4
91.04903	1.7
91.05486	47.9
93.07050	58.8
95.04966	8.3
103.05448	1.8
105.04518	2.1
105.07036	21.4
106.04225	1.3
107.04958	3.3
107.08599	100.0
108.08942	2.1
109.06527	6.6
115.05466	1.7
117.07032	2.7
119.06048	3.7
119.08582	16.1
120.09385	5.2
125.11663	0.9
132.69130	1.1
133.10141	2.0
135.04445	1.4
135.08057	8.3
135.11702	32.3
135.44936	0.9
136.02177	3.9
136.06206	1.9
136.12012	1.0
137.09686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02384	0.7
53.03946	4.6
55.01871	1.1
55.05302	0.7
55.05518	8.5
57.07077	0.8
65.03945	2.1
67.05496	3.4
68.82560	0.6
69.07082	3.2
70.25182	2.5
77.03899	1.3
79.05060	1.4
79.05500	19.9
81.07060	3.9
88.75793	0.7
89.03919	1.3
91.05486	36.4
92.06275	0.8
93.07050	51.7
94.07860	0.8
95.04976	5.5
105.04502	1.3
105.07037	19.3
106.07870	0.7
107.04961	8.7
107.08601	100.0
108.08952	2.4
109.06528	6.3
117.07027	1.3
119.06077	3.0
119.08585	11.6
120.09418	3.1
133.10149	1.5
135.04462	1.5
135.08069	8.0
135.11703	22.4
136.02180	1.6
136.12062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.5
55.05516	8.6
58.29318	0.8
65.03929	2.4
67.05507	5.6
69.07072	4.9
69.45099	3.4
69.45523	4.4
77.03924	1.0
79.05063	1.6
79.05498	23.2
81.07059	5.6
91.05488	38.3
92.05803	1.1
93.07052	65.8
94.07858	1.4
95.04979	7.5
105.04516	1.3
105.07040	18.0
107.05019	1.6
107.08601	100.0
108.08922	1.8
109.06561	6.2
117.07025	1.9
119.06082	3.0
119.08583	8.5
120.09383	2.7
125.20297	0.9
135.04390	1.1
135.08051	4.0
135.10701	1.4
135.11702	22.5
136.02148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02412	1.5
51.89698	1.6
52.65667	1.2
53.03948	6.9
55.05517	7.3
65.03939	4.2
65.04275	1.4
67.05498	4.0
69.07079	1.9
70.10907	4.9
70.11273	2.6
73.01785	1.3
77.03924	1.6
79.05497	30.2
81.07056	3.2
84.57173	1.2
91.05489	55.6
93.06469	3.1
93.07052	53.7
95.04974	7.7
103.05458	4.2
105.04507	1.5
105.07043	32.9
107.04973	3.6
107.08601	100.0
107.79656	1.2
109.06511	6.9
115.05501	2.8
117.07025	3.7
119.06091	2.5
119.08587	14.7
120.05696	1.4
120.09382	6.0
131.47940	1.5
133.10152	2.1
135.04456	6.0
135.08063	20.8
135.11710	29.8
136.02170	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03950	5.0
55.05513	7.9
57.07075	2.2
62.44197	0.8
65.03937	3.1
66.14314	0.8
67.05500	2.6
69.07083	2.0
70.50439	1.8
70.50784	1.1
77.03938	1.4
79.05501	19.7
81.07047	2.6
91.05486	60.8
93.07050	51.9
94.07354	1.1
95.04974	6.9
95.08595	1.1
103.05473	2.9
104.06255	2.0
105.04546	2.2
105.07036	31.0
106.07844	1.6
107.04995	1.0
107.08601	100.0
108.08930	2.2
109.06516	8.9
115.05470	1.1
117.07014	3.6
119.06094	4.7
119.08590	17.6
120.09379	7.7
133.10147	1.6
135.08080	6.9
135.11707	30.3
136.02173	1.7
136.06148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	0.7
53.03948	4.4
55.01881	0.7
55.05512	4.8
57.07074	1.6
65.03949	7.0
67.05503	3.2
69.07063	2.0
70.46622	1.3
70.47022	1.1
77.03938	0.8
78.04738	0.6
79.05499	28.5
81.03447	0.7
81.07059	1.9
91.05487	68.3
92.05772	1.3
92.06281	1.9
93.07050	26.9
95.04964	5.3
98.20854	0.7
103.05472	1.2
105.04545	0.9
105.07037	26.7
106.04139	0.9
107.04947	1.8
107.08601	65.7
108.08923	1.4
109.06526	8.8
115.05466	9.3
116.06223	1.1
117.07055	3.1
117.07796	0.5
119.06056	4.3
119.08594	10.7
120.05724	0.9
120.09384	2.9
133.10147	0.8
135.08063	100.0
135.11684	18.6
136.08412	3.0
137.38861	0.6
149.80783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.0
55.01869	1.2
55.05516	12.3
65.03939	4.1
65.51652	1.0
66.15640	1.1
67.05498	4.2
68.99802	1.4
69.07068	3.8
71.11203	2.5
77.03921	1.5
79.05500	28.9
80.29323	1.2
81.07064	3.9
91.05486	60.2
91.49076	1.2
93.07053	61.6
94.07865	1.4
95.04981	8.1
98.13371	1.3
103.05461	2.2
105.04532	3.0
105.07036	28.8
107.04955	3.3
107.08604	100.0
109.06528	9.0
115.05460	3.3
117.07030	3.7
119.06054	4.1
119.08588	13.3
120.09362	4.3
120.62820	1.0
135.04459	2.7
135.08064	22.2
135.11700	25.7
136.02185	5.6
136.06219	3.0
139.87987	1.1
149.07497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
55.01851	0.1
56.96564	0.2
63.26784	0.1
67.02985	0.4
71.01838	0.2
71.02165	0.3
82.04056	0.2
86.76311	0.1
90.96318	0.1
91.05486	3.8
92.02496	0.5
93.56808	0.1
94.04058	3.7
107.04964	0.1
109.05132	0.6
112.05084	0.2
113.00898	0.2
119.03560	9.6
119.04836	1.2
131.01929	0.8
136.06194	100.0
137.04601	6.2
137.05740	0.4
137.06584	0.7
144.87660	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	3.5
55.01871	1.7
55.05516	4.8
55.48231	0.8
57.07078	1.0
59.31285	0.8
62.55411	0.9
65.03956	4.0
66.04723	6.0
67.05173	1.3
67.05511	23.8
69.03428	3.6
69.07086	1.9
70.68293	2.1
79.05127	0.8
79.05508	9.3
80.06233	0.8
81.03419	3.0
81.07059	16.9
81.56207	0.7
82.24346	0.8
88.71155	0.8
91.05488	13.4
93.07041	4.8
94.04195	46.9
95.04992	5.6
95.08613	17.8
98.21410	1.0
105.04543	1.0
107.04955	5.5
107.08589	1.9
109.06540	6.4
109.10165	10.3
119.06084	0.8
119.08604	2.1
122.03658	65.2
122.07301	10.0
137.02408	2.5
137.05989	100.0
137.09605	17.1
137.13278	1.0
138.05463	1.2
138.06369	1.8
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
51.02378	0.7
53.03956	2.0
55.01874	1.5
55.05513	2.1
57.07074	1.6
65.03955	3.0
66.04726	6.3
67.05170	0.8
67.05509	13.3
69.03434	1.1
69.07076	0.8
77.03928	0.7
79.05495	8.8
81.03425	2.5
81.07059	12.1
91.04908	0.4
91.05483	12.9
93.07051	3.5
94.04192	48.6
94.07835	0.4
95.04499	0.5
95.04996	3.7
95.08610	11.2
98.21546	0.6
102.58693	0.5
105.03436	0.8
105.04510	0.7
107.04964	7.3
107.08597	0.7
108.09264	0.4
109.06526	5.0
109.10159	11.4
117.07021	0.5
119.04944	1.6
119.08604	4.5
121.06516	1.9
122.03656	70.1
122.07292	23.0
123.03983	1.0
135.04419	0.7
135.08054	1.0
137.02509	2.7
137.05986	100.0
137.09615	24.3
137.13234	1.0
138.05473	0.9
138.06351	2.1
138.10001	0.5
157.37485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03944	0.9
55.01874	1.2
65.03935	1.5
66.04722	7.9
69.70210	1.7
69.70613	2.9
72.64576	0.9
77.03939	1.1
79.05478	4.4
81.07043	2.7
91.05483	4.0
94.04192	52.5
95.08601	1.1
105.04556	0.9
107.04955	1.5
122.03658	69.0
123.03982	1.3
137.05986	100.0
138.06303	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03930	1.9
55.01869	0.8
55.05518	0.6
65.03934	1.9
66.04727	7.0
67.05510	4.2
69.03429	0.7
69.27905	3.6
69.28311	1.8
77.03922	1.4
79.05494	6.0
81.03426	1.7
81.07062	6.2
83.64365	0.6
85.12917	0.6
91.05480	6.3
93.07030	1.8
94.04188	47.7
95.04975	2.8
95.08595	2.6
98.21533	1.3
105.03384	0.7
105.04499	0.9
107.04947	1.9
109.06522	2.6
109.10160	1.3
110.46097	0.5
116.02642	0.5
119.08645	0.6
122.03651	66.4
122.07272	1.0
123.03979	1.1
123.81421	0.5
135.04373	0.9
137.02405	1.9
137.05978	100.0
137.09564	2.8
138.06311	2.5
151.92705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02385	0.6
52.83393	0.3
53.03945	1.3
55.01867	0.7
55.05513	0.7
57.07074	0.4
63.38260	0.3
63.59773	0.3
65.03943	2.1
66.04726	6.7
67.05508	4.4
69.03425	0.5
69.07067	0.5
71.05963	0.6
77.03933	1.1
79.05497	5.4
81.03413	0.5
81.07065	5.8
81.25003	0.3
91.05482	5.4
93.07068	0.8
93.53303	0.3
94.04190	46.8
95.04459	0.5
95.04631	0.3
95.05013	2.0
95.08611	4.6
105.03410	0.7
105.04560	0.5
107.04963	3.3
108.30456	0.2
109.06493	1.5
109.10162	2.2
111.70454	0.3
117.26467	0.3
119.04917	0.4
119.08551	0.6
119.43304	0.3
121.06502	0.3
122.03653	70.2
122.07281	5.2
123.04020	1.3
123.07581	0.3
135.04417	0.9
137.05981	100.0
137.09573	5.5
137.13251	0.6
138.05460	0.3
138.06340	2.4
138.09901	0.3
144.85172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02365	0.8
53.00285	0.5
53.03945	1.3
55.01867	0.6
65.03930	1.4
66.04727	6.7
66.44196	0.4
66.78728	0.5
67.05517	0.9
69.03439	0.9
70.05619	1.0
70.06014	1.3
71.01286	0.5
77.03925	1.2
79.05496	4.7
80.03033	0.5
81.03405	0.9
81.07045	2.2
91.05502	4.7
94.04194	51.1
95.04952	1.8
99.39322	0.6
105.03358	0.8
105.04542	0.6
107.04958	2.3
107.18369	0.5
109.06527	1.0
122.03654	70.5
123.03990	1.3
135.04442	0.9
137.05984	100.0
138.06326	2.0
138.66145	0.5
159.06784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
52.14515	1.3
53.03942	6.2
55.01867	5.3
55.05268	2.6
55.05516	33.0
65.03951	7.6
65.10842	1.8
66.04720	2.6
67.05511	100.0
69.03439	20.8
69.07061	6.4
70.04799	1.7
70.05136	6.1
79.05492	16.1
81.03401	2.4
81.07065	32.9
84.41647	1.5
91.05479	18.6
93.07075	14.7
94.04203	15.9
94.07848	2.3
95.04971	14.1
95.08613	38.7
98.20870	1.7
105.07093	2.2
107.05009	2.4
107.08575	4.8
109.06541	10.7
109.10163	39.3
111.08114	9.8
119.08592	7.6
122.03658	24.6
122.07246	4.9
137.05994	39.8
137.09628	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03945	5.9
55.01872	3.2
55.05306	1.4
55.05518	18.5
57.07074	5.2
65.03939	6.4
66.04723	5.5
67.05513	100.0
69.03449	8.9
69.07063	8.4
70.48984	4.2
70.49339	3.2
79.05500	21.3
80.72953	1.6
81.03425	4.9
81.07066	78.9
83.04990	2.2
90.17271	1.4
91.05495	33.6
93.07037	16.6
93.10776	1.5
94.04207	24.8
94.07818	1.6
95.04979	15.3
95.08617	81.2
105.04515	1.6
107.04964	14.3
107.08598	7.6
108.05757	2.3
109.06530	40.7
109.10167	47.5
109.10919	2.3
117.07046	2.7
119.08569	13.6
121.06512	4.5
122.03661	34.3
122.04476	2.7
122.07294	60.3
125.25212	1.3
135.08061	2.6
137.02412	2.6
137.05991	54.3
137.09633	83.9
137.13290	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	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05500	3.1
57.07060	1.2
61.19797	1.2
65.03954	1.6
66.04717	1.9
67.05173	1.8
67.05511	32.8
69.03450	3.1
69.07067	2.2
69.72101	5.2
69.72510	1.6
79.05497	7.7
81.03425	1.8
81.07067	16.5
89.47202	1.2
90.57574	1.1
91.05489	17.7
93.07045	6.2
94.04185	11.4
94.07840	1.7
95.04969	4.7
95.08617	15.7
98.21499	1.6
103.05458	1.9
104.06262	1.5
105.04491	1.3
107.04962	20.0
107.08581	2.0
109.06547	3.3
109.10167	34.8
114.78367	1.1
117.07036	2.5
119.08598	18.5
121.06538	8.9
122.03658	17.5
122.07294	100.0
135.08078	4.7
137.02383	1.9
137.05997	26.9
137.09625	94.0
137.13197	1.7
138.05540	1.7
138.09991	3.2
141.25319	1.3
157.70364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03938	3.7
55.01872	3.1
55.05512	6.7
55.65995	1.1
56.17411	1.0
64.15680	1.0
65.03935	4.2
66.04712	1.4
67.05509	63.4
68.63901	1.0
69.03429	3.9
69.07063	3.4
69.54826	2.3
69.55237	5.9
70.86268	1.0
79.05495	16.1
81.03442	5.6
81.07065	28.1
83.04978	3.7
91.05488	36.8
93.07066	7.4
94.04187	11.6
94.07830	3.3
95.04971	15.2
95.08612	13.9
103.05471	2.4
103.44750	1.2
104.06242	1.7
105.04562	1.7
107.04964	24.2
107.08588	6.7
108.05743	2.4
109.06529	46.5
109.10162	55.1
117.07034	3.9
119.06091	3.2
119.08583	21.2
121.06550	7.7
122.03659	13.8
122.07294	84.2
123.07607	1.4
135.08034	1.9
137.02444	1.8
137.05986	20.6
137.09622	100.0
138.09982	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03940	5.1
54.25606	1.6
55.01875	2.7
55.05518	11.5
60.72186	1.4
65.03934	7.3
66.04729	3.8
67.05511	71.0
69.03407	5.2
69.07059	3.6
71.40523	3.5
79.05505	16.2
81.03418	7.5
81.06643	2.7
81.07064	31.2
83.04984	3.3
91.05490	41.8
92.05815	2.3
93.07054	10.3
94.04206	27.8
94.07843	2.2
95.04972	19.0
95.08617	16.9
104.06277	1.7
105.07016	2.2
107.04955	27.9
107.08600	7.4
108.05779	3.5
109.06530	51.9
109.10169	47.9
109.38351	1.6
112.33351	1.9
117.07017	5.3
119.04887	2.1
119.06085	1.9
119.08598	16.0
121.06512	5.9
122.03656	27.4
122.07300	73.0
122.08179	4.0
129.49080	1.6
135.08055	3.8
137.02394	2.1
137.05995	47.4
137.09630	100.0
138.06430	1.7
138.09995	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03934	2.7
55.01868	1.5
55.05508	2.9
57.07061	0.6
64.64146	0.5
65.03942	3.0
66.04710	2.2
67.05506	35.3
68.05812	0.6
69.03432	1.6
69.07069	2.1
71.36322	0.8
77.03920	0.9
79.05499	7.0
81.03423	3.7
81.07056	16.6
81.07524	1.1
91.05482	18.8
92.05805	0.8
93.07046	7.5
93.63916	0.5
94.04192	17.2
94.07854	1.4
95.04466	0.6
95.04987	6.2
95.08613	14.7
103.05473	1.7
104.06271	1.2
105.04510	0.7
107.04960	25.1
107.08607	1.6
109.02863	1.0
109.06516	4.8
109.10159	36.4
110.10516	1.0
117.07038	2.3
119.04965	0.6
119.08583	16.6
120.08981	0.7
121.06510	8.6
122.03659	23.7
122.07289	100.0
123.04015	0.6
123.07636	1.5
125.49565	0.5
134.05496	0.6
135.04541	0.5
135.08072	4.9
137.02449	3.3
137.05983	35.6
137.09618	93.7
138.05496	1.1
138.09033	0.6
138.09984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03935	1.8
53.94547	0.6
55.05507	6.5
57.07078	10.2
57.56376	0.8
62.39474	0.6
67.05507	25.8
69.07065	7.4
71.46146	0.7
71.46522	0.8
79.05505	8.1
81.07058	72.2
82.07380	0.8
91.05478	0.9
93.07040	5.6
94.04195	1.3
95.08607	100.0
96.08926	2.2
101.91416	0.8
107.08586	0.8
109.10160	5.3
122.03645	3.1
126.75627	0.8
137.05980	3.9
137.13257	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05515	5.0
57.07082	8.8
65.03935	0.8
66.04718	0.9
67.05511	26.0
69.07072	6.3
70.97345	1.1
79.05497	9.4
81.03474	0.6
81.07063	58.7
82.07407	1.4
85.90591	0.5
91.05473	2.8
93.07049	6.6
94.04180	5.6
95.04985	1.3
95.08613	100.0
96.08959	1.7
107.08560	0.6
108.09357	0.7
109.06566	0.8
109.10161	6.1
110.85992	0.6
116.02427	0.5
122.03660	8.6
122.10912	0.8
137.02541	0.8
137.05963	12.5
137.06931	1.0
137.09621	2.2
137.10654	0.6
137.13257	9.2
138.09186	0.7
158.86436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03944	2.5
55.05518	6.8
57.07079	9.0
65.03927	1.1
67.05511	23.7
69.07071	6.3
71.31715	1.1
71.32056	1.1
79.05487	7.8
81.07061	57.4
82.07378	1.7
91.05492	1.1
93.07039	6.4
94.04181	3.9
95.04948	0.9
95.08614	100.0
96.08930	1.8
108.09392	1.3
109.10159	6.1
122.03675	5.8
137.05952	8.3
137.09659	0.9
137.13260	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	137.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.47182	0.6
55.05517	5.8
57.02005	0.7
57.07081	10.0
57.80046	0.6
59.83579	0.6
65.03931	1.0
67.05508	24.9
69.07076	6.4
70.34174	1.6
70.34569	1.8
71.08611	0.7
75.63026	0.7
77.45795	0.7
79.05496	8.6
81.07062	70.7
82.07385	1.2
91.05480	0.9
93.07052	5.8
94.04196	1.5
95.08611	100.0
96.08949	2.6
107.08585	1.3
108.09358	0.7
109.10149	6.0
122.03671	2.3
122.21119	0.6
137.06012	3.0
137.13254	10.0
140.16919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.27752	0.8
53.03957	1.0
54.24808	0.8
55.05517	5.6
57.07082	9.6
65.03945	1.2
67.05506	26.4
69.07076	7.6
69.54840	6.1
71.24830	0.7
73.33971	1.0
79.05495	10.3
81.07059	79.9
93.07047	5.8
95.04972	0.8
95.08611	100.0
96.08947	2.4
98.21507	1.1
108.09344	1.3
108.44659	0.8
109.10153	5.1
118.59887	1.0
130.33400	1.0
134.14258	0.8
135.99432	1.0
137.13257	10.6
140.75752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03944	1.2
55.05520	6.1
57.07080	9.8
57.45318	0.8
67.05510	27.6
69.07069	7.8
70.60318	2.5
72.80361	0.8
79.05505	9.6
81.07062	71.0
82.07399	1.1
82.18874	0.8
93.07053	5.3
95.08613	100.0
96.08965	1.4
98.21413	1.0
109.10150	5.5
113.60647	0.9
137.13257	9.9
137.14090	0.9
144.46230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
52.14804	0.2
53.03939	0.8
65.03958	1.2
65.37805	0.2
67.05517	1.1
69.03418	0.3
69.20837	0.3
70.51051	0.8
78.03438	1.0
79.04241	0.3
81.03412	0.4
83.04960	0.2
92.05012	6.1
92.05811	0.9
93.05789	1.0
94.06573	19.6
95.06856	0.3
96.04493	4.1
110.06047	14.4
111.04462	0.3
119.01855	0.3
121.06493	0.3
133.01643	0.6
133.03488	0.8
136.03952	0.3
138.05505	100.0
139.03940	0.5
139.05870	1.8
154.04974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.61502	1.0
51.99512	1.1
53.00307	3.2
53.03942	4.7
53.30841	1.3
55.01876	8.1
55.05513	11.7
56.96566	4.7
65.03947	84.3
67.05501	4.8
68.02643	1.9
68.99796	23.4
69.03432	4.2
69.07059	2.1
70.72292	3.5
71.01371	2.2
74.82252	1.0
75.07206	1.3
79.01877	1.5
81.03429	15.4
83.04984	17.6
87.47951	1.1
91.05454	1.2
93.03412	12.2
95.04967	3.5
95.54269	1.1
96.02136	5.4
97.02907	7.4
98.97593	13.0
98.98492	3.4
108.40203	1.2
110.03663	1.6
111.04449	100.0
116.97267	2.5
116.98637	9.6
121.02898	16.4
121.03948	9.8
122.06886	1.2
125.02357	1.1
134.99680	3.7
139.03923	43.5
139.04955	2.0
139.07562	2.2
139.08623	2.1
140.04398	1.3
152.94951	1.1
159.73145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
51.50211	0.4
53.00313	11.3
53.03944	0.6
55.01880	3.1
55.05500	1.9
65.03608	0.9
65.03947	15.7
65.16735	0.4
67.01869	1.3
67.05516	2.1
68.99798	4.9
69.03425	1.1
70.95408	1.0
71.01350	0.8
79.05469	0.6
80.19848	0.4
83.04989	3.6
91.67577	0.4
93.03407	5.3
93.07040	1.2
94.49132	0.4
95.04975	1.1
97.02896	1.4
98.98483	0.8
111.04451	14.4
116.99618	0.4
121.02876	9.3
139.03914	100.0
140.04305	2.0
159.23093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59111	0.5
53.03944	2.4
53.36191	0.5
55.01876	7.7
55.05515	3.6
56.96556	0.6
58.56963	0.5
65.03945	16.1
67.01871	4.1
67.05511	7.5
68.99431	0.9
68.99796	14.4
69.03437	3.1
70.04913	1.5
70.05305	1.1
71.01353	1.9
71.87186	0.5
83.04990	8.1
93.03412	12.2
93.07044	0.7
95.04997	3.0
97.02911	3.1
98.21477	0.7
98.98467	0.8
99.00771	0.8
111.04449	27.7
121.02868	2.0
121.03961	0.7
121.10134	0.7
139.03911	100.0
140.04251	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03938	2.3
55.01879	5.8
55.05498	2.4
59.05001	0.9
65.03946	15.6
67.01873	4.4
67.05508	6.8
68.99794	11.3
69.03439	3.4
71.01359	2.1
71.43335	1.5
83.04991	6.8
93.03407	9.9
95.04954	2.7
97.02898	2.6
111.04443	28.9
112.04852	0.7
117.36132	0.6
121.02861	2.2
127.23149	0.7
139.03906	100.0
140.04240	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03940	1.2
55.01878	6.5
55.05513	3.6
55.52767	0.4
56.96581	0.4
65.03612	0.5
65.03948	10.1
65.99493	0.4
67.01871	1.9
67.05504	1.8
67.12814	0.4
68.99796	8.8
69.03432	2.9
69.57185	2.1
71.01347	1.4
83.04990	7.3
93.03410	6.7
95.04977	1.1
97.02904	3.3
98.21507	0.4
98.97602	0.7
98.98478	1.3
101.27533	0.4
111.04451	28.2
112.04770	0.7
116.97220	0.4
116.98623	0.5
121.02884	1.7
121.03944	0.4
126.93690	0.4
130.19235	0.4
134.27777	0.4
139.03912	100.0
139.11168	0.4
140.04242	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
51.02375	0.4
53.00308	5.5
53.03942	1.8
55.01877	4.4
55.05515	3.5
56.96576	0.6
65.03942	17.8
66.04255	0.6
66.81689	0.4
67.01856	3.1
67.05508	3.6
67.45604	0.4
68.99795	8.3
69.03432	3.2
69.07056	1.0
70.05077	1.0
70.05470	0.8
71.01350	1.5
79.05495	0.6
83.04980	7.1
88.55457	0.4
91.05469	0.8
93.03406	8.2
93.07036	1.6
95.04962	1.9
97.02900	3.1
97.06533	0.5
98.20811	0.5
98.97579	1.8
98.98450	1.0
105.20075	0.4
109.46600	0.4
111.04448	24.7
112.07566	0.7
116.97202	0.6
116.98647	0.8
117.89283	0.4
121.02873	10.4
125.02356	0.8
132.37663	0.4
132.62166	0.4
135.50497	0.4
139.03906	100.0
139.11191	0.6
139.12296	1.3
140.04231	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0754
Annotation	4-(Hydroxymethyl)-2-methylphenol
Peak:m/z	Relative Intensity
51.02357	1.1
53.03951	8.4
55.01869	2.5
55.05514	5.3
56.96560	0.9
64.85990	0.8
65.03941	2.2
67.05174	1.3
67.05512	19.5
69.03419	2.2
69.07052	1.2
70.27088	1.6
70.27472	1.8
77.03925	1.1
79.05502	2.4
79.89710	0.9
81.03392	1.9
83.04946	2.0
83.08607	1.1
84.22533	0.8
91.05489	38.2
93.03429	1.6
93.07053	100.0
94.07369	1.9
95.04977	12.2
95.08612	14.7
97.02875	1.6
97.06537	11.7
98.21445	0.9
98.98496	4.8
103.05495	1.2
105.04518	4.3
111.04450	2.7
111.08089	10.4
116.97227	3.4
121.06518	68.3
121.20164	0.8
122.06823	1.2
139.03923	2.8
139.07547	15.8
139.11168	1.0
141.17418	0.9
144.93114	0.9
146.68123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0754
Annotation	4-Ethoxyphenol
Peak:m/z	Relative Intensity
53.00296	1.3
53.03947	8.6
55.01873	7.0
55.05516	7.6
56.96561	3.9
57.93557	1.3
59.04984	2.4
65.03939	23.0
66.04708	1.6
67.01861	2.0
67.05506	8.6
68.02652	1.1
68.99792	8.8
69.03425	7.1
69.07057	4.2
69.66122	1.0
69.66429	5.4
71.01353	1.7
77.03906	1.3
78.04717	3.9
79.05112	0.9
79.05492	8.7
81.03432	6.8
81.07063	3.7
83.04981	11.9
91.05476	3.2
92.02653	4.0
93.03404	6.6
93.07048	12.7
94.04184	12.2
94.06548	1.1
94.56301	0.8
95.04365	1.0
95.04967	18.5
95.08588	5.8
96.05148	1.4
96.05753	26.8
97.02898	5.9
97.06541	8.9
98.20786	0.8
98.97585	5.7
98.98460	9.9
105.04524	1.9
105.07028	2.0
107.04974	1.2
108.05740	29.0
109.02872	6.5
109.06549	6.2
111.04443	37.1
111.08067	2.4
112.07613	1.0
112.73914	0.7
116.97273	4.7
116.98624	4.3
121.02912	6.4
121.06481	1.5
121.10139	9.5
121.48524	0.8
124.05218	48.0
124.08808	1.0
125.02396	1.0
125.06030	4.9
134.99657	3.2
135.05502	1.3
139.03905	100.0
139.07535	62.4
139.11180	10.7
140.03352	1.3
140.04311	1.3
140.07906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
54.03474	1.7
55.01855	1.5
56.05034	2.5
56.96304	2.0
56.96573	34.0
57.93575	37.9
67.05488	1.9
67.93566	7.3
68.05042	1.5
69.03419	1.3
70.02943	1.3
70.06615	2.4
70.11417	1.0
71.17905	2.4
71.35046	1.0
71.95276	9.3
76.73968	1.1
81.03372	1.6
82.06616	1.6
83.06126	2.4
84.04520	1.8
84.08126	1.4
89.82786	1.0
89.92741	1.1
94.06584	12.1
95.04958	2.8
95.06127	1.6
95.08595	1.1
96.04521	1.1
98.06078	1.4
98.07195	1.7
98.97594	90.9
99.05542	2.0
112.03966	4.5
112.04719	2.1
112.07612	5.0
112.11192	1.6
113.02383	4.3
116.97259	72.7
116.98616	100.0
120.39352	1.3
122.06055	10.1
122.06849	1.7
123.04465	1.3
123.05576	3.8
128.03442	1.3
134.99670	78.5
138.05498	3.6
139.98820	2.3
140.00200	2.9
140.03473	7.0
140.07059	8.8
140.08174	3.4
140.10695	4.3
140.95126	3.1
141.01807	4.7
141.05495	1.7
148.96198	9.0
153.00722	14.0
156.02937	1.8
158.01237	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48560	0.5
51.69389	0.5
56.96568	24.8
57.93557	1.5
69.03414	0.9
70.98113	1.5
71.95270	4.7
81.03407	0.6
92.09840	0.6
94.06559	0.8
95.01341	1.3
97.02887	1.7
98.97588	100.0
101.00821	0.7
109.02846	0.6
112.07625	0.7
112.81972	0.6
116.97260	2.1
116.98625	65.0
122.06032	0.6
125.02357	1.4
134.99664	23.7
135.49586	0.6
140.00223	1.2
140.03380	4.5
140.04242	0.6
141.05470	0.8
141.74779	0.6
153.00754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03941	2.1
55.01867	2.0
55.05516	1.3
56.96565	2.3
57.93566	1.8
65.03925	1.0
65.59589	0.7
66.04278	0.9
66.04712	1.2
67.05504	4.2
69.03432	1.0
69.07063	1.5
69.56169	3.6
71.95259	1.0
72.31987	0.6
78.05230	0.6
79.01849	2.4
79.14782	0.6
81.03442	0.8
81.07074	1.4
82.04191	1.5
83.04960	0.7
84.08154	1.0
93.09020	0.6
94.06580	3.5
95.04954	1.9
95.08602	3.2
97.02897	51.6
98.03219	1.4
98.97593	8.2
99.78946	0.7
101.39820	0.7
101.45567	0.6
107.01318	6.0
110.03663	7.0
111.04433	2.9
112.04041	0.9
112.04784	2.4
112.07600	1.4
113.02377	0.7
116.97234	4.2
116.98603	7.4
122.06037	4.2
123.08104	0.8
125.02357	100.0
126.02665	1.8
134.99632	4.1
140.04723	31.9
140.07013	3.4
140.10712	1.1
141.06989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03949	0.9
55.01862	2.7
55.05487	1.1
56.05040	1.5
56.96570	13.3
57.03433	0.8
57.93571	8.3
62.23475	0.6
65.03944	1.9
66.04276	3.3
66.04715	1.2
67.01840	0.8
67.05496	4.1
67.93567	1.5
68.05018	0.8
69.03430	4.1
69.07059	2.4
70.06584	2.4
70.15907	2.8
71.95272	3.3
79.01859	2.0
81.03416	1.3
82.04168	1.5
83.04970	0.9
84.04523	1.2
84.05328	1.1
84.08165	1.1
86.31802	0.7
94.03709	0.9
94.06569	5.4
94.07085	0.7
94.07349	0.7
95.04975	3.6
95.06104	1.0
95.08608	2.6
96.04482	0.7
97.02897	53.7
98.03199	1.3
98.06051	1.6
98.21545	0.9
98.97587	31.8
107.01309	6.3
110.03672	7.0
110.06030	0.8
111.04422	2.8
112.03973	3.6
112.04795	3.9
112.07621	3.2
113.02381	2.5
116.11150	0.7
116.97269	15.8
116.98618	34.3
122.03183	5.2
122.06030	4.2
122.06869	0.7
122.10550	0.9
123.04425	1.3
123.08049	0.7
125.02361	100.0
126.02700	1.4
128.03427	1.2
134.99667	27.1
138.05574	0.7
140.00166	1.0
140.03378	3.4
140.04720	31.4
140.07056	5.3
140.08096	1.4
140.10689	2.3
141.01834	2.1
141.05406	0.8
141.06825	1.3
148.96181	2.0
153.00725	4.5
156.02921	1.3
158.01256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02384	2.3
53.03707	1.5
53.03953	27.3
54.04302	1.1
55.01859	3.3
56.96557	4.0
57.93566	4.0
65.03940	5.7
66.04271	2.0
67.05510	43.9
68.05832	1.2
69.03442	1.4
69.07083	7.1
70.06593	1.8
71.01346	0.8
71.95254	1.2
75.75540	0.9
77.03925	3.1
81.03410	3.3
83.04986	0.9
84.08158	8.9
93.05793	16.9
94.06576	58.4
95.04974	43.6
95.08627	1.4
96.04479	3.6
97.02911	5.5
97.05247	1.4
97.06583	1.3
98.21507	2.4
98.71214	1.0
98.97578	12.1
105.04517	10.8
112.01962	0.9
112.04053	1.6
112.04787	2.7
112.07626	14.3
113.05996	1.6
116.97269	4.9
116.98631	11.2
122.06039	100.0
123.04425	2.9
123.06380	2.0
125.02357	10.1
134.99677	5.0
140.03323	0.9
140.04247	11.1
140.07076	50.6
140.10684	1.2
141.07062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.07
Annotation	Norcapillene
Peak:m/z	Relative Intensity
53.64883	0.5
63.02369	0.6
65.03954	0.5
70.95767	1.0
91.05519	1.2
91.18461	0.5
96.08163	0.5
115.05466	47.8
116.05759	0.8
141.07001	100.0
142.07819	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26582	7.1
69.70029	44.2
70.50052	6.7
98.20708	7.6
101.00910	30.4
101.04971	6.0
109.14877	7.6
119.01929	100.0
137.02988	20.1
142.03516	21.5
142.30856	8.3
154.31989	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53450	16.0
65.64391	16.3
69.62133	100.0
81.05935	19.1
87.12952	18.2
87.96401	17.2
98.91381	17.9
119.01944	83.8
137.03026	20.6
152.62041	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28340	3.8
55.01904	4.1
67.28507	3.9
70.07817	10.6
70.08224	6.8
96.08128	7.7
97.02907	11.5
98.21383	5.0
100.02453	4.8
101.00872	28.0
104.89650	4.3
114.09241	6.3
118.03577	5.9
119.01936	100.0
125.02354	14.5
137.02991	24.0
138.67883	4.0
142.03514	16.5
142.08644	11.5
142.22812	3.8
143.03404	10.6
158.87704	4.3
160.04564	7.0
164.05257	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	142.0864
Annotation	Arecaidine
Peak:m/z	Relative Intensity
54.03463	0.8
67.05505	1.0
68.05023	3.7
70.06595	81.1
71.20372	1.5
79.05510	1.9
80.93793	0.9
81.04543	6.6
81.05788	2.2
82.06577	2.0
88.03980	2.4
94.06568	4.6
95.06120	2.4
96.08135	100.0
97.08367	1.2
97.08910	3.8
101.00876	2.4
114.09174	37.7
115.09496	1.0
117.51634	0.9
119.01936	5.2
125.07072	2.0
142.08641	77.0
143.09026	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0857
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
50.29349	0.3
52.57116	0.5
53.65228	0.4
69.03429	1.2
70.25603	1.2
70.28431	0.4
71.04993	0.6
78.02876	0.4
81.71169	0.5
91.05460	1.0
93.59724	0.4
97.02885	1.2
98.06037	0.7
98.20735	0.5
103.05475	2.5
115.05461	4.8
125.02375	0.9
126.04614	0.4
127.05453	2.1
128.06232	100.0
129.06491	2.6
141.07025	3.8
142.07837	2.8
143.03427	9.2
143.08571	49.6
144.08926	1.0
145.06490	4.4
155.06044	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	143.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01558	0.4
65.83953	0.4
69.03382	1.7
70.06561	0.5
71.04941	1.2
71.54811	0.8
85.06493	0.5
90.23795	0.5
91.05466	1.1
97.02875	1.4
98.06072	3.2
101.37832	0.5
103.05479	3.6
115.05450	5.0
125.02334	2.1
127.05446	1.5
128.06232	100.0
129.05655	0.7
129.06587	3.5
129.43311	0.4
141.06984	4.1
142.07303	4.1
143.03413	16.4
143.08583	36.7
144.05688	1.2
144.06670	0.5
144.08954	1.1
145.06488	5.5
155.06091	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	143.0856
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
55.05435	0.5
56.96544	0.6
69.03397	1.4
70.06574	0.8
70.70969	1.4
86.04196	0.7
91.05472	1.3
97.02879	1.4
98.06041	2.2
103.05436	2.5
105.12904	0.6
115.05469	6.0
125.02363	1.4
127.05457	1.5
128.06232	100.0
129.06599	2.1
141.06979	4.5
142.07268	3.8
143.03415	13.7
143.08578	40.0
144.08928	1.0
145.06506	4.7
155.06067	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	143.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.96418	0.5
59.31756	0.5
69.03434	2.1
69.94234	1.2
69.94647	1.8
70.06605	0.5
71.04984	0.7
85.33779	0.5
97.02875	2.5
98.06059	1.8
100.03297	0.6
101.47882	0.5
103.05467	2.7
115.05455	4.9
125.02355	2.5
127.05461	2.1
128.06235	100.0
129.06581	2.3
141.06990	4.2
142.07451	1.8
143.03404	16.6
143.08572	36.1
144.06599	0.7
144.08913	0.8
145.06480	5.7
155.06053	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	143.0856
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
50.97653	0.4
65.03934	0.4
65.36200	0.4
68.51751	0.4
69.03410	0.6
71.16338	0.7
86.29224	0.4
89.84959	0.4
91.05479	0.5
95.35875	0.4
97.02903	0.6
98.06023	0.6
103.05495	3.4
115.05460	4.9
116.05791	0.5
125.02307	0.6
127.05444	1.6
128.06233	100.0
129.06516	2.6
137.93161	0.4
141.07005	3.8
142.07405	2.1
143.03423	5.5
143.08577	34.9
144.08963	0.9
145.06503	5.2
155.06055	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	143.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.6
70.06599	0.7
71.05022	1.2
71.37440	0.8
80.83092	0.5
91.05455	0.8
93.54243	0.5
97.02892	2.0
98.06034	1.9
103.05463	2.3
111.61624	0.6
115.05470	5.5
125.02341	1.4
127.05476	2.0
128.06232	100.0
129.06473	2.6
141.06995	4.1
142.07430	2.1
143.03404	15.3
143.08574	33.3
144.08975	0.7
145.06494	4.6
155.06056	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	143.0856
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
53.03950	0.6
55.01876	1.5
55.05495	0.6
56.96588	0.6
57.07072	0.7
60.04522	0.6
61.69069	0.6
65.03939	0.9
65.44072	0.4
67.05518	0.6
69.03438	6.7
69.07033	0.6
69.45086	0.6
70.06596	0.8
71.04995	2.0
71.57491	0.7
79.05511	0.5
85.02905	1.7
85.06525	0.7
91.05484	1.8
91.07758	0.4
95.06111	0.6
97.02902	6.9
97.06535	0.5
98.06055	2.9
98.09720	0.6
101.94964	0.5
103.05486	3.4
115.05470	9.4
117.07066	0.9
125.02360	8.3
125.07152	0.6
125.80052	0.5
126.02750	0.7
127.05452	2.1
128.06233	100.0
129.06598	2.3
130.86412	0.5
141.07007	4.0
142.07329	3.8
143.03410	63.8
143.08577	39.2
144.03685	0.7
144.06609	1.3
144.08051	4.0
144.09044	0.7
145.06480	5.5
146.06892	0.7
148.08046	0.5
155.06033	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	143.0857
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
55.05492	0.3
56.33269	0.3
57.07033	0.9
65.03926	0.6
69.03390	1.1
70.26774	0.9
70.27178	0.6
71.04960	0.9
74.06055	0.6
85.06523	0.4
88.07628	1.2
91.05475	2.3
96.22313	0.3
97.02866	1.0
98.06069	1.0
102.09190	0.6
103.05466	2.5
107.08586	0.4
107.51494	0.3
115.05465	7.5
125.02348	1.2
127.05444	1.5
128.06232	100.0
129.06615	2.6
141.06995	4.7
141.96843	0.3
142.07301	2.8
143.03416	11.8
143.08583	34.9
144.08937	1.1
144.13855	1.5
145.06493	5.7
155.06056	7.9
155.07318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.0
70.75592	1.9
70.75940	1.5
75.49912	0.9
79.05495	2.2
82.06566	1.8
91.05489	21.6
99.04446	2.6
100.07630	5.1
101.23705	1.0
103.05475	4.9
105.07034	61.9
106.07346	1.5
115.05441	14.0
116.06257	5.2
117.06216	2.2
117.07028	41.3
118.07359	0.9
128.06233	6.0
128.06998	0.9
129.07028	9.4
130.07796	42.7
131.08029	1.0
143.08572	8.8
145.10130	100.0
146.08122	2.4
146.10445	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01866	1.6
57.03431	1.0
62.92997	1.7
65.03950	0.8
67.05480	2.0
71.04999	5.0
71.18073	1.5
75.25595	0.8
76.58555	0.7
79.05495	2.4
80.35329	0.8
81.03408	1.4
82.06581	14.7
85.02888	2.0
89.34532	0.7
91.05479	23.3
99.04453	11.5
100.06978	1.6
100.07621	30.4
103.05457	4.1
105.07032	77.0
106.07347	1.5
115.05459	17.4
116.06238	2.6
117.07019	40.2
118.07359	0.9
121.96645	2.5
127.03942	2.0
128.06232	8.4
128.07091	1.4
129.07024	11.5
130.07793	46.3
131.08109	1.3
143.08560	11.6
145.06503	7.2
145.10129	100.0
146.08134	7.4
146.10475	2.8
155.06163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32557	0.6
53.03938	1.3
62.92984	1.4
67.05516	1.4
70.69003	1.4
70.69362	0.6
71.04980	2.1
79.05481	2.2
82.06581	7.7
85.02914	0.8
91.04967	1.2
91.05489	14.4
99.04459	8.4
100.06980	1.0
100.07621	15.4
103.05457	3.0
105.07034	76.5
106.07355	1.4
115.05470	8.3
116.06226	1.7
117.07021	23.9
121.96655	2.2
127.03891	1.1
128.06235	5.8
128.07053	1.1
129.07018	8.5
130.07790	44.0
131.08105	1.3
135.56313	0.8
143.08563	9.8
145.06496	2.0
145.10127	100.0
146.08119	3.2
146.10492	3.4
157.07594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
60.35075	0.8
63.97774	0.8
71.37712	1.3
79.05496	2.1
82.06573	2.2
91.05486	12.8
92.92258	0.8
99.04454	1.2
100.07619	6.5
103.05486	2.1
105.07037	71.9
106.07414	1.0
115.05431	6.3
116.06224	1.9
117.07025	21.0
118.75642	0.9
120.59191	0.9
128.06212	5.7
129.07036	9.3
130.07793	39.3
143.08589	9.2
145.10129	100.0
146.10498	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01853	0.9
57.03433	0.7
67.05492	0.9
69.03413	0.6
71.01342	0.9
71.05003	5.1
79.05485	1.4
81.03421	2.0
82.06577	6.9
85.02905	2.1
89.03915	2.2
91.04966	1.0
91.05489	14.6
99.04459	13.0
100.07622	15.6
103.05468	2.8
105.07035	60.9
106.07365	1.4
115.05466	9.0
116.06269	1.3
117.03378	0.9
117.07027	26.7
118.07326	0.6
127.03906	2.2
128.06230	7.8
128.07085	1.2
129.07018	12.9
130.07794	53.3
131.08153	0.8
143.08560	9.1
145.06517	3.1
145.10129	100.0
146.05981	0.7
146.08121	4.0
146.10461	2.4
155.06073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	1.1
57.14951	0.5
59.37364	0.5
62.92979	1.3
65.03931	0.7
67.05495	1.9
70.07444	1.0
70.07828	1.1
71.04993	3.8
72.08163	0.6
72.10003	0.5
79.05500	2.8
81.03415	1.1
82.06122	0.6
82.06584	8.5
85.02917	1.1
91.05485	18.2
92.05819	0.6
94.42352	0.5
98.87737	0.5
99.04457	10.5
100.07626	17.5
103.05464	4.3
105.07035	70.0
106.07391	1.5
115.05457	10.0
116.06272	3.8
117.07023	34.9
118.03606	0.6
118.07373	0.9
121.96619	1.6
127.03910	1.9
128.04749	0.6
128.06232	7.0
128.07095	0.9
129.07031	11.6
130.07793	45.4
143.08566	8.8
145.06512	2.3
145.10130	100.0
146.08113	4.3
146.10468	3.1
155.06018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
62.93000	1.0
67.05511	1.8
67.55911	0.9
70.22809	2.0
70.23217	2.5
71.04981	2.9
79.05479	2.8
80.24743	0.9
82.06587	11.0
85.02899	1.4
86.92986	0.9
91.05486	23.6
95.39832	1.0
98.10375	0.9
99.04469	9.0
100.07623	18.7
103.05447	4.9
105.07039	81.8
106.07384	2.0
113.91428	0.9
115.05459	19.5
116.06240	4.2
117.07028	41.1
118.07380	1.3
121.96628	1.4
128.06227	10.0
129.07028	19.5
130.07799	63.9
143.08578	13.0
145.06503	5.0
145.10133	100.0
146.08141	3.3
146.10489	1.8
155.06071	1.2
155.57695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01876	2.1
57.03431	1.4
62.92992	1.9
65.03938	0.7
67.05485	2.1
70.90680	0.9
70.91042	1.6
71.05003	6.1
79.05475	2.5
81.03415	2.3
82.06118	1.0
82.06589	15.9
85.02908	2.0
89.03913	2.0
91.05492	26.6
95.04933	0.7
99.04462	15.2
100.07627	34.7
103.05465	4.3
105.07036	74.3
106.07375	1.3
115.05461	15.0
116.06264	3.9
117.03378	1.3
117.07024	48.0
121.96641	2.4
123.62550	0.8
127.03924	2.8
128.06223	7.3
128.07100	1.4
129.06142	1.2
129.07016	12.9
130.07796	48.3
131.08157	1.6
143.08575	10.1
145.04979	1.6
145.06483	8.5
145.10130	100.0
146.08125	7.0
146.10464	3.5
155.06058	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.05496	1.8
67.04234	0.8
69.53280	1.6
69.53690	1.8
72.08150	1.9
75.72388	0.6
80.05006	0.5
82.06586	53.4
83.06879	0.6
86.06088	0.5
91.05485	26.6
100.04794	1.6
100.07625	100.0
101.07944	1.6
105.07030	1.0
117.05772	4.4
118.06553	79.3
119.04978	3.2
119.06893	1.8
119.08604	0.7
128.04979	5.2
128.07072	3.2
138.57454	0.5
146.06036	20.2
146.08115	21.7
147.04428	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
55.05515	3.7
67.04256	0.8
67.51159	0.3
68.04550	0.3
70.24295	0.7
70.24687	0.6
72.08152	1.0
82.06586	49.2
83.06903	0.7
98.20818	0.4
100.07626	100.0
101.07951	1.7
128.07094	3.4
141.47462	0.4
146.08139	25.6
147.08482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.22240	0.4
56.86718	0.3
65.03602	0.8
65.03947	12.3
71.16795	0.6
79.66856	0.4
91.05488	100.0
92.05824	1.3
95.04955	0.4
101.07997	0.5
105.07037	1.6
119.04951	89.8
119.08566	2.2
120.05276	2.8
131.38986	0.4
143.27312	0.4
147.04419	31.7
147.11755	0.9
148.04797	1.1
157.82343	0.4
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	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
55.22955	0.6
59.55458	0.6
65.03944	10.6
66.38847	0.7
69.44615	0.6
70.70971	1.3
71.36105	0.8
71.78543	0.6
91.05485	100.0
92.05821	1.7
101.07943	0.9
105.07034	8.3
110.84965	0.5
117.07015	1.1
119.04948	91.5
119.08578	8.1
120.05262	1.9
123.96455	0.5
147.04422	30.5
147.08125	1.8
147.11714	4.7
148.04724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	11.7
70.20345	2.5
75.92658	0.6
91.05486	100.0
92.05830	2.9
101.07938	0.7
102.87233	0.7
105.07022	3.1
117.07005	0.6
119.04950	87.7
119.08582	3.3
120.05308	2.7
122.70963	0.5
137.93352	0.5
143.63135	0.5
147.04417	32.2
147.11673	1.9
148.04791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
53.12676	0.5
53.64609	0.5
55.05503	0.9
65.03947	12.3
66.30048	0.5
66.81791	0.5
66.88274	0.4
68.36597	0.5
70.47986	1.8
83.06917	0.6
91.05490	100.0
92.05827	2.3
96.66553	0.5
101.07941	0.5
105.07032	4.0
107.70962	0.5
119.04957	85.6
119.08582	5.1
120.05298	3.1
147.04424	31.3
147.11702	2.0
148.04721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.06011	0.6
51.55825	0.8
53.03730	0.6
53.03961	3.1
54.61034	0.7
55.01881	2.3
55.05519	7.7
57.50985	0.7
61.80906	0.6
64.92821	1.3
65.03944	3.8
67.05513	1.9
69.07089	2.2
69.70550	2.3
69.70956	1.7
79.05494	9.3
81.03445	0.7
81.07062	1.6
82.06577	0.7
83.06918	3.3
88.84964	0.8
91.05486	93.5
92.05824	1.4
93.07048	26.5
95.04977	2.8
100.07606	1.5
101.07932	7.2
102.91391	0.7
103.05466	8.7
104.06263	5.3
105.04553	0.9
105.07035	52.3
106.06684	0.8
106.07368	1.4
107.04968	3.2
107.08640	1.1
115.05488	4.1
117.06337	0.4
117.07025	23.0
119.04947	10.9
119.08585	100.0
120.08904	2.6
121.06519	1.1
123.96446	1.9
128.06218	4.5
129.07010	11.5
131.04916	1.1
132.05711	5.6
132.09373	2.7
145.06467	0.9
145.10139	2.6
147.04437	6.1
147.08049	36.6
147.11699	24.4
148.08429	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01867	7.8
55.05515	5.8
64.92790	1.8
65.03934	2.6
67.05490	2.4
69.07068	1.4
70.43877	4.2
79.05502	12.1
81.07037	1.4
82.06588	2.8
83.06903	4.0
91.05487	85.2
92.05811	1.3
93.07071	6.3
95.04948	2.3
100.07612	2.3
101.07953	13.7
103.05489	9.7
104.06239	4.4
105.07037	100.0
106.07337	1.8
107.08573	1.2
115.05431	3.3
117.07024	32.9
119.04964	12.1
119.08588	94.9
120.08938	2.4
123.96435	3.2
128.06245	3.3
129.07004	13.7
131.08551	1.3
132.05701	3.6
132.09315	1.5
145.10114	3.4
147.04414	6.9
147.05482	1.9
147.08054	59.9
147.11687	27.9
148.08444	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03936	2.5
55.05511	11.5
62.00449	1.1
65.03943	1.8
67.05504	10.1
69.07069	2.4
70.84135	3.5
79.05499	14.1
81.07063	6.1
82.27764	1.4
83.06905	1.4
89.91758	1.2
91.05489	68.2
92.05833	1.8
93.07066	9.4
95.04960	2.7
103.05460	6.0
105.07039	100.0
106.07318	1.5
107.08614	1.7
117.07011	8.9
119.04948	1.7
119.08594	66.5
120.08905	2.6
130.07712	1.7
131.08589	1.5
132.09334	1.3
137.10884	1.2
145.10124	4.4
147.11699	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03960	1.7
55.05513	10.8
65.03940	4.9
67.05502	2.3
69.07061	2.9
70.69650	3.3
73.74447	1.0
79.05488	6.5
81.07037	1.5
83.06900	1.6
90.78230	1.0
91.05484	68.1
92.05810	1.4
93.07059	2.1
95.04958	1.8
96.10292	1.0
101.07948	3.7
103.05479	5.2
104.06194	1.7
105.07035	75.3
106.07346	2.5
107.08591	9.1
109.06550	1.0
115.05465	2.1
116.06230	3.2
116.16392	1.2
117.07018	15.1
119.04958	31.2
119.08585	100.0
120.08882	2.9
129.07008	2.0
130.07765	1.9
131.08543	2.3
132.09363	7.7
139.18761	1.3
145.10129	12.0
147.04425	23.8
147.05531	0.9
147.08081	4.6
147.11694	60.7
148.12086	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.52871	0.9
53.03945	1.4
55.05509	9.8
64.79137	0.8
64.92817	1.2
65.03936	2.8
67.05503	1.9
68.15579	1.0
69.07058	2.3
69.98348	0.8
71.35155	1.7
74.26171	0.8
79.05501	6.3
81.07033	1.5
82.06595	1.0
83.06898	2.4
91.05490	39.7
93.07044	2.7
95.04958	1.2
96.17354	0.9
97.35249	0.8
100.07628	1.9
101.07937	4.6
103.05479	2.6
105.07037	100.0
106.07336	2.0
107.08561	2.3
117.07015	6.9
117.88686	1.0
119.04955	14.2
119.08590	74.8
120.08915	1.6
129.07018	1.2
131.08630	1.7
132.09346	2.7
135.02345	0.9
136.41737	0.9
145.10124	5.0
147.04434	7.6
147.08051	4.1
147.11697	49.1
148.12077	1.2
156.81264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	1.1
54.62854	0.6
55.05510	12.7
57.40128	0.8
62.75954	0.6
65.03944	2.0
67.05506	2.7
69.07060	2.9
71.46447	1.2
71.81564	0.7
79.05495	8.3
81.07057	2.7
83.06882	1.1
91.05486	42.0
92.05824	1.5
93.07061	3.5
95.04966	1.7
100.07616	1.0
101.07952	2.0
103.05470	2.6
105.07035	100.0
106.07357	1.9
107.08572	1.7
115.05439	1.1
117.05691	0.8
117.07022	7.0
118.07847	0.7
119.04949	8.3
119.08583	73.7
120.08915	2.2
123.96388	0.8
130.07825	0.9
131.08563	2.3
132.09369	3.3
145.10156	5.9
147.04399	5.0
147.08096	2.0
147.11694	52.3
148.12018	2.3
161.12523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05518	11.7
56.05813	1.1
60.82798	1.2
64.92780	1.2
65.03930	1.9
67.05492	2.3
69.07063	1.3
70.35991	4.9
79.05499	9.0
81.07053	3.1
83.06921	2.9
91.05487	47.9
93.07050	2.7
100.07615	2.6
101.07959	5.3
103.05459	4.9
105.07036	100.0
106.07386	2.4
107.08607	5.3
117.07022	16.0
119.04958	10.3
119.08588	97.7
120.08896	3.3
123.96438	1.3
130.07820	1.8
131.08536	1.5
132.09367	7.1
145.10144	5.6
147.04471	5.8
147.08032	5.7
147.11703	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	1.9
55.05300	0.9
55.05518	10.1
67.05494	1.7
67.22329	0.8
69.07063	2.6
70.91105	2.0
79.05502	6.6
81.07046	2.3
91.05489	25.0
93.07051	2.5
103.05492	3.9
105.07040	100.0
106.07377	3.0
107.08613	2.6
117.07027	8.4
118.07767	0.8
119.04935	2.6
119.08591	71.5
120.08878	1.8
131.08546	1.7
132.09364	3.0
145.10170	4.2
147.11699	46.1
148.12003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03944	1.9
55.05516	9.2
61.91015	0.7
64.92832	0.8
65.03946	2.1
67.05510	2.9
69.07082	2.4
71.37590	1.4
77.03945	1.0
79.05497	8.3
81.07064	2.6
83.06903	3.7
91.05486	58.7
92.05821	1.7
93.07038	11.6
95.04963	1.8
100.07629	1.4
101.07944	6.2
103.05448	4.7
104.06267	1.7
105.07036	88.2
106.07398	2.2
107.04973	1.1
107.08600	3.0
115.05467	1.4
116.06312	0.9
117.07030	14.4
119.04973	7.5
119.08588	100.0
120.08935	3.3
123.96444	2.3
128.06258	1.8
129.06958	4.2
131.08562	1.0
132.05722	1.4
132.09367	2.3
145.10149	4.6
147.04434	4.4
147.08058	15.0
147.11693	39.4
148.12099	0.9
161.14459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.05516	9.7
67.05497	4.3
69.07065	2.3
71.16449	1.9
76.00996	0.7
79.05502	7.7
81.07065	2.2
83.06885	1.0
83.87660	0.9
91.05484	33.2
93.07040	3.5
93.28647	0.9
95.05006	1.3
101.07958	1.9
103.05450	3.2
103.18585	0.8
105.07035	100.0
106.07339	1.7
107.08586	2.2
115.24416	1.1
117.07025	8.6
118.07796	1.2
119.04924	2.4
119.08587	62.9
120.08886	1.6
130.07744	1.1
131.08556	2.1
132.09363	2.2
145.10092	4.9
147.08121	1.5
147.11696	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03943	1.6
55.05519	9.7
64.73065	1.1
66.69231	1.3
67.05513	18.4
69.07063	4.0
69.48555	10.6
79.05498	14.8
81.07059	11.9
91.05490	59.3
93.07042	8.6
95.04968	1.8
103.05449	5.7
105.07037	100.0
106.07318	1.8
107.08584	3.7
117.07027	10.9
119.05018	1.3
119.08592	64.0
120.08912	1.7
132.09348	4.7
140.30014	1.2
145.10120	5.3
147.11699	41.6
148.12015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03932	2.6
55.05294	1.1
55.05514	10.9
55.42244	1.1
56.14830	1.1
64.92796	2.1
65.03931	2.2
67.05502	5.7
69.07072	3.6
71.35980	2.6
79.05492	13.5
79.67664	1.0
81.07049	4.1
82.06557	1.3
83.06912	4.1
91.05486	58.3
92.05793	1.2
93.07046	5.5
95.04980	2.2
98.59543	1.3
100.07619	1.3
101.07944	7.9
103.05470	4.3
104.06252	1.9
105.07040	100.0
107.08582	3.1
115.05470	1.2
116.65028	1.2
117.07021	16.8
119.04972	7.8
119.08589	94.1
120.08898	2.8
123.96458	3.4
129.07007	2.7
131.08589	2.1
132.09396	7.7
138.75554	1.2
145.10136	5.5
147.04431	5.1
147.08176	4.1
147.11703	47.1
148.12016	1.6
153.09830	1.1
165.21263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.06984	0.6
53.03940	1.5
55.05260	1.0
55.05511	11.5
64.79549	0.6
65.03934	1.2
67.05509	1.9
69.07073	2.3
69.61134	4.1
79.05499	6.3
81.07062	2.3
83.06927	1.0
89.16566	0.6
91.05485	30.3
93.07051	2.5
95.04958	1.2
98.20728	0.9
101.07947	2.3
103.05458	4.7
104.06263	1.1
105.07036	100.0
106.07378	2.2
106.47482	0.5
107.08605	2.0
109.06676	0.6
116.06305	1.0
117.07019	6.9
119.04972	4.0
119.08585	80.2
120.08944	1.7
129.07022	1.5
130.07845	0.8
131.08568	1.5
132.09354	2.6
140.17223	0.6
142.40634	0.6
145.10135	5.4
147.04520	2.9
147.08101	2.5
147.11693	52.0
148.12016	2.0
157.35956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03948	2.1
53.54636	1.1
55.05518	9.9
67.05512	5.9
69.07062	1.8
69.90202	4.4
79.05502	8.9
81.07052	3.3
81.29182	1.0
83.06907	1.0
91.05489	36.2
93.07063	5.5
95.04967	2.4
100.07613	1.5
101.07955	3.3
103.05463	2.9
105.07040	100.0
106.07343	2.2
107.08610	3.0
117.07020	9.5
118.05629	1.1
119.04954	1.7
119.08593	65.0
126.62305	1.0
131.08583	1.8
132.09373	2.2
145.10130	7.4
147.04422	2.5
147.05524	1.1
147.08040	2.4
147.11699	58.6
148.12094	1.1
159.35580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03949	10.2
55.01874	5.5
55.05502	4.3
65.03949	48.6
66.04255	1.5
67.05505	7.1
67.65697	0.8
69.03423	1.4
69.07076	6.1
69.80801	4.9
77.03922	1.3
78.04738	1.5
79.05500	30.7
81.03420	1.6
81.07066	25.7
89.03922	1.5
91.05491	39.5
93.03421	11.4
93.07051	40.0
95.04985	10.3
95.08594	4.6
98.03677	1.7
98.16730	0.8
98.21453	1.9
98.24213	0.9
103.05478	34.3
105.04525	4.5
105.06393	1.7
105.07049	26.0
106.04181	2.4
107.04974	9.2
107.08610	17.7
109.06544	1.2
111.04433	7.3
115.05471	0.9
116.06270	6.0
119.08604	4.4
120.05766	1.5
121.02876	52.0
121.03983	14.3
121.06503	17.9
121.10153	17.2
122.03140	1.4
123.08102	2.1
129.07018	2.0
129.79297	0.9
131.04944	4.5
131.08592	7.9
133.06538	1.4
133.07556	1.2
134.07262	2.8
149.02359	100.0
149.05989	12.5
149.09625	31.3
149.13280	12.0
150.02728	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
52.17521	0.9
53.03938	4.5
55.01864	3.5
55.05521	2.4
63.29139	1.1
65.03944	44.6
67.05495	1.9
67.52688	0.9
69.03421	1.9
69.07069	2.6
69.73551	5.3
79.05494	12.0
81.07053	4.5
89.03924	2.2
91.05488	35.9
93.03407	11.4
93.06466	2.3
93.07047	33.3
95.04979	4.0
95.08614	1.4
98.03682	1.5
98.20869	2.3
103.05498	5.3
105.04514	2.2
105.07040	16.8
106.07835	1.6
107.04948	3.7
107.08605	19.4
109.06523	3.6
111.04468	8.3
115.05474	1.8
116.06207	1.6
117.03413	1.1
117.07012	1.2
119.06075	1.6
119.08609	5.8
120.09320	1.3
121.02004	1.8
121.02876	48.0
121.03976	13.1
121.06514	78.6
121.10152	26.2
122.03167	1.3
122.06867	3.3
122.10464	1.2
123.08052	2.9
125.25748	1.0
131.04915	1.3
131.08589	5.4
133.07596	1.3
133.10141	3.7
134.07274	2.3
134.10941	2.5
148.07584	2.5
149.02356	100.0
149.06023	6.4
149.09628	49.6
149.13268	7.0
150.02655	1.7
150.10007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03944	3.9
55.05496	4.6
57.03441	1.7
65.03947	27.5
69.07055	4.8
69.33959	1.2
70.33401	5.0
73.20995	1.2
79.05063	2.0
79.05498	25.8
81.07069	6.6
89.75710	1.2
91.05489	32.4
93.03412	7.7
93.07050	53.2
93.07634	2.8
95.04955	4.8
97.75551	1.2
98.03692	2.1
102.31178	1.2
103.05484	5.3
105.04488	1.6
105.07035	31.3
106.07820	3.6
107.04954	30.5
107.05623	2.5
107.08600	21.3
111.04441	4.1
116.06236	3.7
119.08598	6.1
121.02868	33.9
121.03974	8.5
121.06480	4.4
121.09317	2.4
121.10146	31.1
122.03185	1.6
123.08072	3.3
131.08585	6.3
133.07579	1.3
149.02351	60.4
149.05922	3.2
149.09625	100.0
149.13263	4.7
150.02655	2.5
150.09969	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02388	0.8
53.03955	6.4
55.01862	2.8
55.05518	4.1
58.27827	0.7
60.14741	0.9
65.03603	1.7
65.03946	32.4
67.05505	2.7
69.07069	4.3
69.71889	0.6
71.56013	1.5
77.03915	1.0
77.72066	0.9
78.04741	0.9
79.05501	26.4
81.07072	6.7
89.03928	1.1
91.05492	38.7
93.03399	6.9
93.07054	53.4
94.07391	1.6
95.04977	7.2
95.08635	1.0
98.03696	1.6
103.05486	10.1
105.03389	1.0
105.04537	2.8
105.07041	34.0
106.04160	1.3
106.07826	3.7
107.04963	25.7
107.08603	22.5
108.05296	1.2
109.06524	2.9
111.04446	5.9
115.05447	1.8
116.06270	5.5
119.08633	6.5
121.02878	43.8
121.03982	9.9
121.06509	16.9
121.10158	34.6
122.03172	1.0
122.10500	0.7
122.29695	0.8
123.08099	1.9
129.07013	2.3
131.04941	2.9
131.08569	7.9
133.07620	3.0
134.07278	1.9
149.02359	73.9
149.05984	6.5
149.09631	100.0
149.13283	7.1
150.02692	2.5
150.05539	1.2
150.09966	2.7
169.03534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03948	4.1
55.01860	1.3
55.05507	3.8
57.03431	1.8
57.07084	0.8
59.45440	0.7
64.26050	0.8
65.03944	8.1
67.05506	1.3
67.45177	0.7
69.03431	0.7
69.07078	5.0
71.29566	1.6
74.21082	0.7
77.03933	0.9
79.05498	26.7
81.07059	5.5
87.43009	0.7
89.37685	0.8
91.05489	27.7
91.94515	0.7
93.03399	1.2
93.07053	50.5
94.07376	1.2
95.04965	5.6
103.05470	5.8
105.04532	1.4
105.07039	33.4
106.07851	4.1
107.04967	27.4
107.05708	1.1
107.08602	22.0
108.08852	1.0
109.06509	2.1
111.04440	0.9
115.05480	0.8
116.06261	3.6
119.08597	5.4
121.02879	8.5
121.03951	2.4
121.06508	4.4
121.10156	35.7
121.11040	1.8
121.35354	0.7
123.08085	3.2
129.07016	1.0
131.08582	5.4
133.06490	0.8
133.07623	1.6
134.07327	0.9
149.02368	13.1
149.09633	100.0
149.13243	6.6
150.09969	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03939	5.4
55.01859	3.3
55.05505	2.8
65.03610	2.4
65.03945	37.4
67.05506	3.1
69.07069	3.6
69.73859	5.3
69.74272	1.7
70.28657	1.1
77.03917	1.7
79.05498	26.2
81.07051	5.7
91.05489	32.7
93.03399	10.3
93.07050	48.8
95.04974	5.6
95.08625	1.5
98.03644	1.2
103.05463	8.3
105.04504	1.7
105.07031	31.9
106.07818	4.5
107.04954	2.6
107.08597	11.3
109.06526	1.9
111.04467	7.2
116.06229	3.7
119.08605	8.1
121.02873	42.4
121.03981	14.0
121.06517	7.4
121.09313	2.1
121.10155	29.0
123.08060	2.4
131.04964	1.3
131.08551	4.8
133.07634	1.6
133.10133	1.8
134.07301	2.1
149.02356	78.4
149.05980	2.7
149.09628	100.0
149.13280	7.3
150.02606	2.0
150.09998	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02357	1.1
51.85778	0.9
53.03952	5.4
55.01865	3.9
55.05508	2.0
57.05253	1.1
64.61880	0.9
65.03945	54.5
67.05497	3.6
69.03415	1.7
69.07057	4.2
70.14764	1.0
77.03941	1.7
78.04710	1.2
79.05495	22.4
81.07061	10.4
89.03899	1.8
91.05483	41.8
92.05822	1.4
93.03416	12.4
93.07048	34.2
94.07377	1.2
95.04981	7.6
95.08588	2.8
96.96609	1.1
98.03661	1.7
98.20706	2.0
99.18247	1.0
103.05471	16.5
105.04499	3.1
105.07036	32.2
106.04150	1.3
106.07825	2.6
107.04955	4.2
107.08591	16.3
111.04446	6.9
115.05433	2.8
116.06234	12.5
117.07034	0.9
119.08583	3.9
121.02869	59.4
121.03972	16.2
121.06507	11.2
121.09325	2.0
121.10152	26.9
122.03181	1.3
123.08049	4.2
129.06999	3.6
131.04921	2.1
131.08560	14.1
133.06493	1.0
133.07631	2.1
134.07262	4.2
136.89478	1.0
147.08066	2.1
148.06166	0.9
149.02348	100.0
149.05997	6.7
149.09630	46.5
149.10869	1.3
149.13277	8.5
150.02664	2.6
150.09995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03937	5.1
55.01864	3.0
55.05497	2.8
65.03950	29.7
66.08082	1.2
67.05488	2.9
69.03417	4.3
69.07066	2.7
69.60764	2.9
69.61176	6.0
77.03896	1.1
79.05501	23.5
81.07073	6.5
89.03903	1.6
91.05491	51.1
93.03401	8.1
93.06473	2.6
93.07054	49.5
95.04974	5.5
98.03685	2.8
103.05482	9.2
105.04539	1.4
105.07039	38.3
106.04170	1.3
106.07800	3.7
107.04953	5.0
107.08614	16.1
109.06517	3.4
111.04437	6.6
115.05473	4.5
116.06252	15.7
117.03365	1.8
119.08566	6.1
121.02871	34.4
121.03976	10.0
121.06521	18.3
121.10147	31.9
123.08044	5.7
129.07008	4.4
131.08580	15.2
133.06535	2.0
133.07599	2.9
133.62614	1.3
134.07292	3.3
141.61984	1.3
147.08116	2.4
148.07597	8.9
149.02357	62.5
149.06004	4.4
149.08463	3.9
149.09627	100.0
149.13263	5.6
150.02637	2.1
150.09969	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.38446	1.5
53.03939	6.0
55.01873	3.5
55.05515	11.7
65.03941	49.3
67.05501	7.2
68.22305	1.7
69.07072	14.2
71.41319	3.5
71.64355	1.6
74.06783	1.6
78.23624	1.5
79.05497	33.0
80.17826	1.7
81.07063	22.1
89.03935	1.9
91.04971	2.5
91.05489	32.5
93.03408	8.9
93.07048	70.6
95.04977	10.0
95.08616	5.5
98.03668	3.2
103.05496	2.3
105.04539	1.7
105.07031	14.8
106.04173	2.5
107.07863	3.3
107.08601	59.1
109.06494	2.3
111.04469	5.7
116.06200	1.8
121.02873	50.4
121.03983	13.8
121.06481	3.3
121.10162	21.8
131.08620	2.0
149.02354	100.0
149.05971	5.1
149.09627	9.0
149.13257	22.4
150.02684	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03944	5.0
55.01862	3.6
55.05511	6.3
57.74290	1.1
58.53071	1.1
65.03606	2.5
65.03944	51.7
67.05496	4.9
69.07068	11.6
70.74033	3.8
77.03911	1.3
78.04705	1.6
79.05500	17.9
81.03439	1.2
81.07065	14.8
81.75363	1.1
85.86522	1.1
86.84996	1.2
89.03886	2.0
91.05487	27.2
93.03408	11.8
93.07050	50.8
94.07357	1.4
95.04975	5.6
95.08600	3.2
98.03667	2.6
103.05481	2.9
105.03324	1.3
105.04520	2.0
105.07040	13.1
107.04990	2.7
107.08600	38.2
108.08909	1.3
109.06548	2.6
111.04444	7.8
119.08588	2.5
121.02871	59.3
121.03978	15.3
121.06480	6.8
121.10152	16.1
122.06024	1.2
131.08577	2.2
149.02351	100.0
149.05968	3.1
149.09634	11.8
149.13248	13.4
150.02696	2.4
150.07774	1.4
169.03230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02380	1.1
52.40852	1.2
53.03943	6.8
55.01863	3.5
55.05510	11.7
62.52996	1.2
65.03608	2.2
65.03945	45.3
67.05506	8.4
69.07073	14.3
70.74017	2.9
77.03928	1.9
79.05062	2.4
79.05496	30.5
81.07058	38.2
84.47973	1.2
91.05482	29.2
93.03413	8.4
93.07048	100.0
94.07375	2.8
95.04982	7.3
95.08608	6.8
98.03681	1.7
103.05456	6.4
105.03393	3.6
105.07030	9.8
107.04929	1.5
107.08598	60.0
108.08925	2.2
109.06521	2.0
111.04449	7.8
116.76587	1.2
119.08589	1.5
121.02872	47.3
121.03978	11.9
121.06517	9.6
121.09310	2.1
121.10151	25.0
131.04939	2.0
131.08606	4.2
149.02353	81.5
149.05966	6.2
149.09647	10.2
149.13269	35.9
150.02692	2.9
169.83200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03947	5.8
55.05511	12.8
57.07056	1.9
65.03948	17.2
67.05503	5.1
69.07073	21.9
69.36256	12.5
79.05496	29.4
81.03473	2.2
81.07064	38.2
91.05484	33.9
93.03434	3.2
93.07054	100.0
94.07423	2.1
95.04964	5.0
95.08627	6.9
98.21485	3.0
101.07986	1.8
105.04501	3.1
105.07036	13.7
107.08605	70.4
108.08972	2.6
109.06560	2.3
111.04468	3.5
114.69579	2.2
119.08620	2.2
121.02871	15.1
121.03987	5.3
121.10153	25.7
142.99165	1.8
149.02354	28.9
149.09619	2.8
149.13275	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	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03941	4.0
55.01864	3.5
55.05508	4.2
65.03613	2.6
65.03948	45.2
67.05518	1.7
68.30772	1.4
69.03431	1.6
69.07056	4.6
69.69476	6.1
70.05012	1.2
79.05502	17.8
81.07076	8.9
91.05487	32.0
93.03390	10.0
93.07053	47.5
93.91480	1.3
95.04990	3.4
98.03653	1.8
98.20780	3.3
103.05477	4.6
105.07039	25.9
107.04983	1.8
107.08600	39.7
109.06506	2.0
111.04445	10.8
116.06229	2.3
119.08591	8.3
121.02876	55.6
121.03977	14.6
121.06557	7.2
121.10155	51.6
121.11028	2.3
122.03217	1.7
123.08060	3.8
127.04549	1.7
131.08601	6.7
133.10143	6.1
134.10867	2.4
148.07527	3.7
149.02357	100.0
149.06003	3.4
149.08420	2.1
149.09631	28.3
149.10701	1.7
149.13264	13.5
150.02650	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03940	2.0
54.36910	1.0
55.01869	2.1
55.05506	2.6
57.62521	1.2
65.03607	2.6
65.03947	48.7
66.04272	1.3
67.05482	2.1
69.07051	3.5
71.57559	1.8
78.04720	1.1
79.05499	14.4
81.07072	7.3
91.05485	20.6
93.03412	11.2
93.07050	32.7
95.04986	3.3
98.03685	2.4
103.05461	4.8
105.07043	16.3
107.04973	3.2
107.08599	25.8
111.04443	6.7
116.06255	3.4
119.08577	4.5
121.02874	55.3
121.03986	14.7
121.06490	8.0
121.10153	33.2
122.03215	1.1
123.08077	2.2
126.64311	1.1
131.04951	1.4
131.08582	6.1
133.10121	3.4
149.02356	100.0
149.06003	3.2
149.09644	22.7
149.13242	8.2
150.02719	2.4
153.03589	1.1
155.04054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.05520	13.9
55.26009	1.8
62.44616	1.8
65.03946	14.0
67.05505	7.8
69.07074	19.7
69.88188	6.9
72.48731	2.1
73.98984	1.7
79.05511	30.2
81.07068	37.9
83.08653	2.7
84.39654	2.0
91.05492	28.0
93.03398	2.1
93.07056	100.0
95.04971	7.0
95.08611	10.9
105.07043	10.1
107.08609	75.3
109.06558	2.2
111.04485	2.5
119.08603	5.3
121.02875	11.7
121.03989	3.9
121.10159	32.6
149.02357	21.6
149.09610	2.3
149.13281	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
51.86219	0.8
53.03936	2.6
55.01864	3.0
55.05508	2.5
55.15926	0.8
56.70360	0.9
57.07075	1.5
65.03946	44.5
69.07070	2.3
71.56230	1.1
79.05496	8.7
81.07073	4.3
91.04967	1.3
91.05490	16.1
93.03416	13.1
93.07052	25.2
95.04968	2.5
95.08617	1.0
98.03679	1.8
103.05492	4.8
105.04554	0.9
105.07042	15.8
106.07867	1.4
107.04934	2.0
107.08601	19.5
108.08952	1.0
109.06546	1.5
111.04448	7.2
116.06200	1.4
119.08598	6.1
121.02873	53.2
121.03977	14.2
121.06499	7.8
121.10150	29.8
122.03177	1.3
122.06030	0.9
123.08096	1.7
131.04964	5.2
131.08575	2.5
133.10138	3.2
133.31821	0.8
133.84975	0.8
134.10934	2.3
148.07594	1.1
149.02354	100.0
149.05994	4.6
149.08434	1.8
149.09624	18.4
149.13292	7.5
150.02663	2.7
167.03432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
51.74794	0.4
53.03944	1.3
55.01863	1.1
55.05513	3.6
57.07084	0.5
59.05001	1.1
65.03935	3.2
66.04716	1.3
67.05504	5.3
69.03407	0.6
69.07068	0.7
70.88698	0.5
70.89027	0.6
74.51468	0.4
77.03936	1.1
78.04713	1.2
79.05498	5.3
80.06284	4.2
81.03417	3.3
81.07065	6.5
90.04704	1.3
91.05488	32.9
92.05825	0.6
93.03400	1.8
93.07060	3.5
95.04974	5.2
95.08627	2.8
95.38430	0.4
97.06548	0.5
103.05476	0.7
105.03438	2.3
105.07051	5.0
106.04184	1.8
107.04964	27.3
107.08596	5.3
108.05753	10.3
109.06517	3.7
109.10161	4.1
118.04156	1.4
119.04956	13.8
119.05848	0.3
121.06522	1.1
123.04440	6.9
123.08065	3.7
123.11721	2.8
133.06558	0.5
133.10188	2.1
135.04413	7.1
136.05206	6.8
137.05986	0.9
151.03990	4.8
151.07553	100.0
151.11098	4.6
152.06906	0.5
152.07953	1.5
154.04010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	(S)-(+)-2-Phenylpropionic acid
Peak:m/z	Relative Intensity
51.02370	0.2
53.03950	1.7
55.01872	0.9
55.05515	0.7
57.03431	0.2
59.04994	0.2
65.03944	0.9
67.05508	4.3
69.03433	0.7
71.04981	0.2
71.55019	0.2
77.03937	0.7
79.05498	20.0
80.05846	0.2
81.03424	0.6
81.07059	2.3
86.22388	0.1
91.05484	7.1
92.05721	0.1
93.07059	1.8
95.04971	3.1
95.08610	5.4
97.06532	0.7
103.05471	7.7
105.07034	100.0
106.07351	1.7
107.04936	0.5
107.08596	3.0
108.05761	0.2
109.06526	2.1
109.10152	0.5
119.06048	0.5
121.06483	0.4
123.04433	0.6
123.08075	3.3
123.11731	0.4
133.06499	11.8
133.07516	0.4
133.10114	0.4
134.06871	0.3
136.05257	0.2
151.02817	0.2
151.03949	0.4
151.07550	6.2
151.11180	1.2
152.06216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	m-Tolylacetic acid
Peak:m/z	Relative Intensity
51.02384	0.3
52.33025	0.1
53.03949	1.5
55.01864	0.6
55.05515	0.4
56.59615	0.1
57.07066	0.1
65.03941	1.2
67.05510	2.4
69.03440	0.3
70.79368	0.1
70.79682	0.3
77.03932	0.4
78.04710	0.1
79.05496	17.9
80.05836	0.2
81.03428	1.2
81.07060	1.5
89.48739	0.1
91.05482	5.6
93.07052	1.6
95.04975	3.1
95.08614	2.8
97.06519	0.7
98.20710	0.2
102.78267	0.1
103.05476	8.0
104.05779	0.2
105.07035	100.0
106.07361	1.9
107.04964	0.4
107.08597	1.7
108.02095	0.1
108.05756	0.2
109.02857	0.1
109.06524	1.4
109.10156	0.5
119.04961	0.4
119.06055	0.3
121.06535	0.4
123.04449	1.1
123.08077	2.2
123.11731	0.3
126.93580	0.1
129.27139	0.1
133.06500	8.5
133.10156	0.4
134.06903	0.2
135.74452	0.1
151.03981	0.8
151.04961	0.2
151.07552	5.9
151.11186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03948	1.4
55.01866	0.9
55.05262	1.0
55.05517	11.7
60.91232	0.6
61.09827	0.4
61.94164	0.5
65.03943	5.6
67.05511	5.9
69.03446	0.5
69.07061	0.6
69.12635	0.5
70.61039	1.4
77.03915	0.5
79.05498	4.1
80.06283	1.2
81.03423	0.6
81.07070	7.7
83.05000	0.7
88.43160	0.5
91.05492	100.0
92.05833	1.8
93.07053	2.9
93.95719	0.4
95.04372	0.8
95.04981	13.1
95.08614	2.6
97.06548	1.9
103.05484	0.9
105.07043	4.8
107.04953	0.9
107.08595	3.5
108.05766	2.2
109.06546	3.2
109.10175	3.3
119.04961	50.1
120.05239	0.7
121.06487	1.4
123.04449	9.3
123.08085	3.1
123.11725	2.3
128.03078	0.5
133.06488	0.9
133.10149	1.8
136.05215	9.4
137.03630	2.2
137.06020	3.8
151.02849	1.0
151.03911	4.3
151.07561	47.1
151.11153	4.2
152.07976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03957	1.9
55.01874	1.7
55.05516	2.5
62.29661	0.6
65.03943	7.5
67.05508	5.7
69.03440	1.1
69.79243	2.8
69.79663	1.3
79.05502	4.1
80.06266	1.0
81.03416	1.4
81.07072	6.2
83.05017	1.0
85.71781	0.6
91.05487	100.0
92.05820	1.4
93.07054	5.3
95.04977	13.1
95.08617	3.2
103.05476	0.8
105.07037	6.7
107.04944	1.4
107.08572	4.2
108.02115	1.0
108.05744	2.4
109.06535	3.3
109.10143	3.1
109.38990	0.7
119.04949	49.8
121.06500	1.0
121.10061	0.6
123.04446	7.6
123.08068	5.3
123.11703	1.9
133.10127	2.3
135.04413	0.6
136.05208	9.3
137.06013	4.2
148.12621	0.6
151.03954	8.0
151.05029	1.5
151.07550	49.4
151.11160	7.3
151.79367	0.6
152.07993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03960	1.7
55.01880	2.1
55.05524	0.8
56.96573	3.2
57.03446	0.6
57.07085	0.9
63.37451	0.4
65.03951	6.2
67.05512	4.7
69.03432	0.9
71.09587	0.4
71.22229	0.6
73.02915	0.6
77.03955	0.7
79.05501	2.9
80.06278	1.6
81.03430	3.4
81.07069	1.8
83.01352	0.8
85.02934	0.5
89.06060	0.5
90.04689	0.4
91.05492	100.0
91.35754	0.3
92.05013	1.6
92.05846	1.3
93.03399	1.9
93.07057	1.3
94.06599	0.4
95.04977	12.8
95.05563	0.8
95.08617	1.7
96.05327	0.4
97.02914	0.9
98.97599	11.5
101.00831	0.4
103.05479	1.1
105.04570	0.5
105.07037	3.6
107.04976	1.2
107.08599	0.8
107.76432	0.4
108.05759	5.3
109.06551	1.1
109.10189	0.5
110.06073	3.8
110.97566	0.7
116.98626	5.3
119.04959	51.5
119.28871	0.4
120.05303	0.6
121.06512	1.6
122.06009	1.0
123.03563	0.7
123.04441	7.1
123.08080	1.9
123.11726	0.5
124.07555	0.6
125.04707	0.8
128.98650	0.7
132.95781	0.6
133.01750	0.4
133.02841	0.7
133.06525	0.8
133.07559	0.5
133.10213	0.5
134.06033	1.3
134.99681	1.5
136.05214	14.8
137.02837	0.4
137.06007	5.6
146.99640	0.4
151.02856	0.6
151.03993	4.6
151.07539	55.5
151.11203	1.2
152.01666	0.5
152.07069	42.0
154.96048	0.4
158.99663	1.5
162.51323	0.4
169.21576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	m-Tolylacetic acid
Peak:m/z	Relative Intensity
51.02379	0.3
53.03952	1.7
54.37941	0.2
55.01871	0.6
55.05513	0.4
59.05007	0.2
65.03960	0.9
67.05509	2.5
69.03423	0.6
69.07066	0.2
69.72312	0.8
77.03944	0.7
79.05499	18.3
80.05839	0.3
81.03429	1.5
81.07070	2.2
83.04992	0.2
91.05490	6.3
93.07045	1.0
95.04974	3.1
95.08613	2.8
97.06544	0.8
98.20743	0.3
103.04794	0.4
103.05479	8.3
105.07039	100.0
106.07348	1.9
107.00315	0.2
107.04967	0.5
107.08601	2.1
109.06538	1.5
109.09370	0.2
109.10156	0.8
119.04955	0.2
119.06054	0.3
121.06541	0.4
123.04430	1.3
123.08069	2.1
123.11694	0.6
133.06509	8.8
133.10178	0.4
134.06880	0.2
135.04428	0.2
146.29375	0.2
151.03923	0.5
151.05017	0.2
151.07564	6.0
151.11192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
51.02370	0.8
52.61062	0.7
53.03946	2.6
53.33318	0.8
55.01871	3.5
55.05509	6.5
57.03432	5.0
57.06876	0.6
57.07082	7.8
59.05008	13.2
65.03954	5.1
67.05510	29.2
68.05839	1.0
69.03431	6.3
69.07072	40.9
69.73044	4.3
71.04996	0.9
71.19092	0.8
74.54613	0.8
79.05497	16.0
81.07062	100.0
82.07393	2.2
91.05484	28.0
93.06480	1.1
93.07047	13.2
95.04976	13.8
95.08616	24.8
98.20796	1.5
103.05503	1.6
103.95164	0.8
105.07037	35.4
107.04993	1.7
107.08606	17.1
108.02119	1.1
108.05712	1.9
109.06525	37.2
109.10163	38.9
119.04932	3.1
119.06075	0.8
121.06501	2.4
121.10126	7.2
121.32618	0.8
123.04449	8.2
123.08077	12.6
123.11713	52.5
124.12052	1.5
131.08583	1.1
133.06488	1.8
133.10141	30.5
136.08864	2.6
145.41209	0.8
151.02788	1.2
151.03955	13.1
151.05042	2.5
151.07550	13.9
151.11191	53.8
152.11513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02369	1.5
53.03947	7.1
53.08149	1.3
55.01863	5.0
55.05513	100.0
56.31564	1.1
57.03435	2.2
57.06803	1.2
57.07073	5.2
59.04993	5.3
65.03145	1.2
65.03944	6.2
67.05509	42.0
68.99759	1.1
69.03430	7.9
69.07075	5.6
69.81450	2.2
69.81857	4.4
71.05009	1.5
75.49801	1.2
79.05061	2.3
79.05493	26.6
81.03427	8.9
81.07061	80.1
83.05000	2.3
83.08614	1.5
85.06533	1.4
91.05485	47.1
93.03388	1.2
93.07048	28.0
95.01340	1.5
95.04978	36.8
95.08611	38.8
97.06532	16.4
98.20763	1.7
103.05476	3.8
105.03441	1.8
105.07040	50.6
107.04994	2.7
107.08596	24.2
108.02101	2.2
108.05742	4.6
109.06527	40.6
109.10161	39.0
110.07368	1.8
119.04947	13.4
121.06498	4.8
121.10175	2.1
122.07279	5.5
123.04422	16.0
123.08077	17.5
123.11717	23.5
124.07591	1.7
125.43560	1.1
125.54763	1.1
127.07564	1.3
131.08578	2.6
133.06490	7.2
133.07536	2.0
133.10146	13.1
136.05194	6.5
136.08832	2.1
137.05914	1.6
151.02847	2.5
151.03914	16.6
151.05013	2.6
151.07558	32.4
151.11192	75.9
151.14796	2.8
152.07074	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Carvone
Peak:m/z	Relative Intensity
53.03942	1.0
55.01876	0.9
55.05509	2.1
57.03435	0.6
57.07081	1.5
57.40821	0.3
59.04997	2.0
60.22734	0.3
60.76453	0.3
65.03950	1.5
67.05508	8.7
69.03442	1.9
69.07080	2.0
69.80630	0.3
69.93369	0.6
69.93777	1.2
71.04996	0.5
75.29622	0.3
77.03934	0.4
79.05496	6.7
79.05956	0.4
81.03418	2.6
81.07059	23.9
91.05481	10.8
93.07046	5.8
94.04190	1.7
95.04976	7.2
95.08611	8.6
95.09225	0.3
95.92912	0.3
96.05752	0.7
96.44787	0.3
97.06551	0.4
103.05502	0.5
105.07034	15.9
106.04254	0.3
106.07366	0.3
107.04944	3.1
107.08595	6.1
108.05747	2.5
109.06521	100.0
109.10150	6.4
110.06824	1.9
111.44851	0.3
115.59033	0.4
117.45592	0.3
119.04941	1.2
119.06077	0.6
121.06497	2.3
121.10142	1.0
123.04443	2.4
123.08073	28.6
123.11707	13.6
124.08393	0.5
124.12045	0.3
131.08586	0.7
133.06505	0.9
133.10139	6.7
136.08841	2.5
151.02922	0.7
151.03908	2.3
151.07544	4.2
151.11189	27.9
152.11566	0.6
154.19440	0.4
158.88484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03933	1.4
55.01863	1.6
55.05512	2.7
57.03423	0.7
57.07066	1.4
59.04995	1.0
64.90672	0.4
65.03934	1.9
65.52354	0.3
66.21928	0.5
66.52322	0.3
67.05173	0.7
67.05508	10.7
67.05866	0.5
68.05038	0.4
69.03428	2.0
69.07066	2.7
69.65138	2.3
79.05495	6.3
81.03418	3.6
81.07061	19.8
83.04979	0.4
91.05484	10.2
93.07047	6.1
95.01353	0.5
95.04967	6.7
95.08611	9.3
97.06532	1.0
103.05466	1.1
105.03452	0.6
105.04498	0.4
105.07037	15.7
107.04947	0.5
107.07885	0.5
107.08597	6.5
108.05714	1.6
109.06525	16.1
109.10158	12.0
118.07903	0.5
119.04963	1.9
121.06525	2.0
121.10131	2.2
123.04447	4.1
123.08059	6.9
123.10831	0.6
123.11701	5.3
131.08592	0.6
133.06543	0.8
133.07449	0.4
133.10147	6.3
135.07965	0.4
136.05212	1.5
136.08850	2.2
151.02759	0.5
151.03940	7.1
151.05032	0.6
151.07596	10.2
151.11188	100.0
152.07063	0.5
152.11533	2.5
164.49173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.00301	2.1
53.03945	7.2
55.01659	0.8
55.01880	8.0
55.05263	1.5
55.05515	23.8
57.03437	4.1
57.07067	3.8
59.04999	2.4
62.23327	0.7
65.03942	6.0
66.04708	0.9
67.05511	40.9
69.03435	99.2
69.07076	7.5
71.04998	16.3
71.18261	1.8
77.03925	1.2
79.05503	30.5
81.03428	9.8
81.07063	100.0
82.07384	1.6
83.04980	2.8
83.08623	1.0
91.05487	35.2
93.07051	42.9
94.04191	3.0
95.04975	38.6
95.08611	28.6
96.05247	1.0
96.05766	6.3
97.06541	7.9
103.05481	4.4
105.03397	1.4
105.04536	1.7
105.07038	78.2
106.07355	2.5
107.04967	3.0
107.08601	35.7
108.02078	1.2
108.05750	2.4
109.06526	62.8
109.10161	26.8
109.10918	1.0
115.05513	1.3
119.04965	3.2
119.06097	1.9
121.06504	3.3
121.10149	2.7
123.04444	12.0
123.08079	27.5
123.11721	20.5
127.07567	1.4
131.08591	2.2
133.06502	41.4
133.10135	18.4
136.05228	1.2
151.02771	2.0
151.03935	13.8
151.05032	1.5
151.07558	35.2
151.11194	44.8
152.11584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01870	1.1
55.05514	6.3
57.07084	2.6
59.05005	0.8
63.43244	0.4
65.03934	2.3
67.05509	36.1
68.05840	0.4
69.03436	1.4
69.07075	5.1
70.24015	0.4
70.24364	1.6
71.04993	0.7
71.08633	1.2
77.03931	0.4
78.77573	0.4
79.05495	8.4
81.03434	1.5
81.07061	54.8
82.07413	0.7
83.04987	0.4
83.08621	1.4
91.05486	20.1
93.07048	10.7
95.04985	5.4
95.08612	100.0
96.08954	0.9
97.06548	0.4
105.07044	7.9
107.04955	0.9
107.08608	7.2
108.05745	1.3
108.17592	0.4
109.06533	8.2
109.10162	35.2
110.10488	0.6
119.04951	7.9
121.06510	1.5
121.10157	0.9
123.04434	5.7
123.08082	4.4
123.11717	4.3
127.07555	3.6
133.06485	0.8
133.10144	4.6
136.05209	1.7
137.06012	0.7
151.02831	0.4
151.03951	4.9
151.04996	0.6
151.07565	12.3
151.11192	19.3
151.14824	8.5
152.07086	0.4
152.15059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03946	0.8
55.01871	1.2
55.05510	6.7
57.03440	0.4
57.07074	2.6
64.49377	0.3
65.03944	3.1
66.04728	0.4
67.05507	35.5
68.05813	0.4
68.99802	0.5
69.03426	0.9
69.07070	5.7
71.08633	1.0
71.57803	0.6
77.03905	0.4
79.05492	8.2
79.39944	0.3
80.06246	0.4
81.03426	2.8
81.07058	51.3
82.07420	0.9
83.08617	1.1
91.05483	20.4
92.05795	0.6
93.03389	0.4
93.07046	9.8
95.04970	5.1
95.08609	100.0
96.08302	0.3
96.08946	1.5
103.05474	0.7
105.03387	0.5
105.07043	6.8
107.04979	1.1
107.08598	5.8
108.05743	1.0
108.07159	0.3
108.08862	0.4
109.06528	7.0
109.10159	32.8
110.10436	0.4
119.04958	8.2
120.05242	0.5
121.06497	1.2
121.10105	0.4
123.04439	7.3
123.08086	4.7
123.11708	4.3
127.07553	2.0
131.08536	0.3
133.06482	0.7
133.10124	3.4
136.05225	2.0
137.05951	0.6
151.02834	0.8
151.03912	4.3
151.05011	0.6
151.07555	12.3
151.11189	15.3
151.13683	0.5
151.14822	8.5
152.07004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0709
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.03952	0.4
56.96301	0.2
56.96572	4.8
57.03434	0.8
57.07081	1.6
61.02929	0.3
65.03951	1.4
67.05179	0.2
67.05517	2.8
69.03425	0.9
69.78359	0.9
69.78783	0.4
71.95277	0.3
73.02913	0.7
78.01383	0.2
79.05480	0.7
79.26563	0.2
81.03410	0.6
81.07069	0.3
83.05025	0.2
84.96014	0.6
85.02901	0.8
85.06530	0.7
87.04433	0.3
91.05484	0.7
92.04472	0.3
92.05019	5.0
92.05834	1.2
93.03387	0.3
93.05766	1.4
93.07023	0.4
94.06586	0.4
95.04972	0.4
96.04460	0.3
96.08135	0.5
97.02900	1.2
97.06536	0.2
98.20821	0.3
98.97598	16.6
99.97958	0.3
101.00843	0.2
104.79102	0.2
106.06558	0.5
107.04929	0.4
107.08545	0.2
109.05206	0.4
110.01295	0.2
110.03522	0.7
110.06058	9.1
110.97612	1.3
111.04445	0.5
111.06344	0.2
111.19849	0.2
113.53658	0.2
116.98644	6.5
119.01898	0.6
120.05297	0.6
121.06516	1.4
121.40425	0.2
122.06046	2.2
123.06832	0.4
124.03932	0.5
124.04778	0.4
124.07585	0.9
125.04710	1.1
127.03992	0.2
128.04597	0.5
128.98616	1.1
129.03969	0.3
131.01852	0.4
134.06041	2.6
134.99677	1.9
135.03043	1.1
135.04366	0.4
137.05545	0.3
138.05496	0.9
141.02260	0.7
141.03978	0.3
143.00110	0.3
146.99669	0.3
147.01389	0.3
147.05055	1.4
152.05725	7.2
152.07071	100.0
153.04124	2.4
153.05394	0.4
153.07489	1.7
158.99693	2.3
159.03259	1.2
161.01283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01880	4.4
55.05515	5.3
57.03445	1.5
57.07069	1.0
58.92241	0.5
59.05016	3.6
62.99091	1.4
65.00641	1.2
65.03945	68.8
66.04275	0.8
67.05508	10.5
68.99789	1.0
69.03440	3.7
69.07068	4.6
69.62722	2.7
70.94261	2.3
70.95862	0.8
71.04999	3.7
79.05499	17.0
80.05852	0.5
81.03435	1.4
81.07059	6.5
83.04988	9.5
83.08620	2.0
85.02914	0.6
89.02386	0.9
91.03720	0.4
91.05484	10.9
93.03412	47.9
93.07053	32.2
94.03728	0.8
94.07371	0.9
95.04975	46.8
95.08609	7.4
96.05316	0.7
97.02887	0.5
97.06541	6.0
105.07044	4.1
107.01671	1.5
107.04971	5.5
107.08601	34.1
108.08913	0.7
109.02843	0.5
109.06528	4.7
109.10165	8.9
110.03675	10.8
111.04451	100.0
111.08086	13.6
111.08867	0.7
111.96867	0.8
112.04790	1.9
115.05453	0.6
117.07029	1.9
119.06075	1.0
123.08066	1.3
125.06002	41.9
125.09645	4.4
129.97902	0.6
133.07364	0.5
134.06032	1.3
135.04428	1.3
135.08066	15.3
135.11720	4.4
138.03128	1.2
153.01849	1.1
153.05478	17.4
153.06981	3.5
153.09105	13.8
153.11711	0.6
153.12766	7.1
154.05011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03941	2.3
53.65903	0.6
55.01880	6.8
55.05267	0.6
55.05514	9.9
57.03436	3.4
57.07073	1.0
59.05009	4.9
62.99074	2.0
64.78632	0.6
65.00634	1.7
65.03947	70.2
66.04263	1.1
67.05179	0.7
67.05511	11.9
68.99791	0.8
69.03426	4.8
69.07073	4.7
70.94263	1.8
71.05009	4.3
71.56242	0.6
79.05499	23.2
81.03416	1.4
81.07066	6.1
83.01293	0.7
83.04990	20.4
83.08620	2.1
87.00727	0.6
89.02406	1.4
91.05488	17.0
93.03412	49.4
93.07050	44.4
94.07375	0.9
95.04977	45.7
95.08614	8.3
97.02881	1.6
97.06544	8.3
105.07043	6.5
107.01640	2.4
107.04963	5.3
107.08603	52.7
108.08918	1.1
109.06523	7.1
109.10161	9.0
110.03661	11.7
111.04451	100.0
111.08084	21.6
111.96910	1.0
112.04816	2.3
113.76515	0.7
115.05447	1.9
117.07053	3.3
119.06078	0.7
123.08060	2.6
125.06004	46.0
125.09637	7.3
129.97878	0.9
134.06017	1.7
135.04466	1.4
135.08067	23.8
135.11705	7.1
138.03110	0.8
153.01894	1.8
153.05498	17.1
153.06990	3.0
153.09114	19.4
153.10341	1.1
153.12749	8.7
153.13890	0.8
154.07625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.54271	1.0
53.03947	4.3
55.01866	3.0
55.05517	14.8
57.03428	4.4
57.07078	2.0
59.05005	6.6
65.03935	9.0
67.05512	28.3
68.99777	3.8
69.03436	13.2
69.07072	20.8
70.01972	4.1
70.94247	2.9
70.95882	1.5
71.05002	7.9
71.94100	1.2
73.06570	1.4
79.05062	1.8
79.05502	31.4
81.03409	1.4
81.07065	24.5
83.01357	4.9
83.04994	10.5
83.08620	5.5
84.08146	1.7
85.02900	1.4
85.06521	1.2
89.17608	1.1
91.05489	27.0
93.03397	4.2
93.07052	36.5
93.07629	1.9
95.04974	12.0
95.08614	35.5
97.06544	25.1
98.21533	1.1
99.58983	1.0
103.05458	2.6
105.07042	29.5
107.01666	3.1
107.04967	7.0
107.08606	86.9
107.89944	1.0
108.05745	11.1
108.08903	1.3
109.06520	14.6
109.10170	58.3
110.03708	1.1
110.10509	1.3
111.04448	17.1
111.08092	28.8
111.96886	2.2
115.05455	3.1
117.07040	4.1
119.06117	2.2
119.08564	2.0
120.05692	2.0
121.06494	4.2
123.08081	100.0
124.08398	2.6
125.06001	6.8
125.09630	15.3
130.89934	1.0
130.96205	1.0
133.07614	3.7
135.04420	2.0
135.08066	55.3
135.11708	27.5
136.08366	1.4
138.03136	1.2
148.97331	2.0
153.05504	6.2
153.09120	18.4
153.12756	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.94003	1.5
53.00298	1.8
53.03939	3.4
53.14309	1.4
55.01880	3.3
55.05512	19.8
57.03430	3.4
59.05000	13.0
59.69324	1.6
62.91890	1.6
62.99068	3.7
65.03934	11.3
67.05501	12.4
68.78542	1.4
69.03445	3.7
69.07083	18.5
69.54366	11.3
70.94267	5.3
70.95860	2.6
71.01343	1.8
71.04998	33.8
73.06557	19.9
79.05057	3.0
79.05498	38.4
81.03386	1.5
81.07061	100.0
83.04990	6.3
83.08657	1.9
87.07448	1.5
91.05480	15.7
93.03413	5.3
93.07048	49.7
95.04974	12.6
95.08637	17.6
97.06551	15.4
105.04552	2.0
105.07053	5.0
107.01665	3.0
107.04962	23.1
107.08605	52.0
109.06531	5.3
109.10162	17.3
110.03674	5.6
111.03810	1.6
111.04458	10.3
111.08083	9.3
111.96854	2.7
112.15452	1.7
119.08616	2.6
125.06010	8.6
125.09584	2.6
130.74074	1.7
135.04443	10.1
135.08040	4.1
135.11707	28.9
136.07581	2.1
138.03168	3.5
144.39174	1.6
148.97408	2.8
153.05472	16.9
153.09116	6.0
153.12756	26.1
154.08632	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	153.1275
Annotation	p-Mentha-3,8-dien-1-ol
Peak:m/z	Relative Intensity
54.12995	2.1
55.01870	5.2
55.05502	8.5
57.03431	5.3
59.05003	7.0
62.10455	2.2
65.03608	4.0
65.03948	77.4
67.05510	36.3
68.42717	2.0
69.03425	6.7
69.07069	14.5
70.94266	2.1
71.05003	12.0
71.13836	4.4
76.55398	1.9
77.80581	2.1
79.05503	16.6
81.07066	22.9
83.04974	9.1
83.08638	5.8
91.05479	12.3
93.03417	66.9
93.07051	55.3
95.04984	27.6
95.08610	31.8
96.37454	2.3
97.06550	18.1
105.07038	4.8
107.04964	3.3
107.08604	88.8
109.06520	5.4
109.10165	96.9
110.03661	9.3
111.04455	100.0
111.08109	16.2
112.04797	2.4
125.06004	57.0
125.09621	4.2
132.21255	2.3
135.08051	14.5
135.11703	41.2
147.50060	2.2
153.05504	20.2
153.09119	10.3
153.12761	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01865	3.0
55.05517	13.2
57.03431	4.3
57.07072	1.8
59.05007	9.8
62.99070	1.2
63.12891	0.7
65.03946	44.1
66.04264	0.9
67.05508	26.0
68.30396	0.8
69.03429	7.3
69.07072	28.0
70.94238	1.8
71.05003	9.6
73.06556	1.5
79.05497	16.0
81.07062	23.7
83.04986	10.4
83.08626	6.8
89.02387	1.5
91.05482	10.8
93.02818	1.1
93.03413	33.2
93.07053	68.3
95.04968	5.3
95.08614	53.2
96.08923	1.5
97.06540	60.0
105.04502	1.2
105.07040	4.6
107.01678	1.6
107.04949	2.5
107.08601	100.0
108.08922	2.2
109.06532	7.2
109.10166	68.2
110.03680	6.7
110.10493	1.3
111.04449	67.2
111.08089	8.4
111.11746	1.0
112.04813	1.0
119.06063	1.0
119.08575	1.3
125.06005	31.6
125.09658	1.7
135.04417	0.8
135.08093	4.7
135.11700	48.2
136.12079	0.8
138.03120	0.9
147.08908	0.8
153.01884	1.4
153.05479	11.4
153.06834	1.6
153.09233	4.3
153.12755	56.4
153.24385	0.7
154.13069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03932	2.9
55.01858	4.9
55.05521	16.1
57.03433	3.1
57.07068	2.0
59.05003	11.6
65.03942	18.0
66.92736	1.6
67.05506	32.5
69.03434	10.1
69.06720	2.6
69.07072	35.4
71.04996	13.2
79.05492	17.8
81.07055	28.6
83.04979	13.2
83.08617	11.5
91.05487	14.1
93.03405	11.6
93.07050	78.2
95.04956	7.4
95.07977	2.1
95.08609	56.2
97.06534	90.2
98.06885	1.6
105.07035	5.9
107.04951	2.3
107.08599	100.0
109.06505	4.8
109.10161	96.1
110.03688	1.9
111.04459	17.4
111.08118	11.3
111.11714	2.6
111.96872	1.8
116.47531	1.8
119.08583	2.3
125.05978	10.8
134.61792	1.6
135.11697	64.1
136.12051	1.9
138.78662	1.7
153.05499	4.1
153.07010	2.9
153.09137	2.5
153.12750	91.0
154.13097	2.7
161.99548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02354	0.5
51.33060	0.5
52.10602	0.5
52.37475	0.4
53.03944	1.3
55.01868	2.1
55.05513	10.5
57.03438	3.7
57.07071	2.4
59.05003	9.2
60.63797	0.4
62.99078	1.1
65.00638	0.8
65.03947	7.6
67.05507	19.9
68.99768	0.6
69.03433	5.9
69.07071	17.1
70.79822	0.5
70.80133	0.7
70.94250	1.6
71.05000	6.9
73.06555	0.8
77.03925	0.7
79.05499	16.7
80.05850	0.5
81.03423	0.6
81.07061	25.0
83.04986	17.4
83.08621	5.6
85.06547	1.4
89.02408	0.9
91.05483	9.4
93.03404	4.4
93.07050	75.6
94.07358	1.3
95.04984	3.7
95.08611	51.4
96.08971	1.0
97.06536	47.0
102.31641	0.5
105.04514	0.6
105.07025	3.4
107.01668	1.7
107.04964	1.4
107.08600	100.0
108.08892	1.2
109.06498	2.6
109.10163	43.2
110.03653	1.4
110.10511	0.6
111.04459	8.8
111.08081	7.9
111.11714	0.8
111.96862	0.9
119.06077	0.7
119.08599	0.6
125.05993	4.3
125.09623	1.0
135.04436	1.4
135.08107	1.2
135.11700	59.1
136.12001	1.7
152.06256	0.7
153.01921	0.4
153.05475	4.4
153.06989	2.2
153.09145	3.0
153.12752	56.0
154.13152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	1.9
55.05520	13.6
57.07078	1.7
58.88849	1.2
59.05004	6.5
63.27995	1.2
65.00613	1.5
65.03947	7.3
67.05510	8.2
69.03451	1.6
69.07071	9.3
70.69379	3.6
70.94266	2.2
71.04998	39.3
73.06171	1.9
73.06563	23.0
79.05502	27.5
81.07065	100.0
83.04985	1.7
83.08602	2.2
89.02411	1.5
91.05487	10.3
93.03413	3.6
93.07055	48.5
95.04952	8.7
95.08605	11.8
97.06537	9.3
105.07019	2.5
107.01665	3.1
107.08603	44.0
109.06548	1.4
109.10167	10.3
110.03628	2.0
111.04448	8.9
111.08079	7.0
111.96876	1.4
125.05996	3.5
135.11713	27.3
144.91197	1.5
153.05493	7.6
153.06969	1.7
153.09135	3.3
153.12759	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00310	2.1
53.03947	3.8
55.01875	1.1
55.05514	13.5
57.07073	1.5
59.05006	8.1
62.99078	3.3
65.00650	2.4
65.03941	12.2
67.05513	8.3
69.03436	2.2
69.07066	13.8
70.89626	1.8
70.94270	5.4
70.95872	1.5
71.04998	30.7
71.94110	1.2
73.06562	19.6
79.05500	30.3
81.07063	100.0
83.04981	5.1
83.08607	2.1
85.02885	1.2
89.02407	2.9
91.05481	13.0
93.03419	5.2
93.07050	44.6
94.07368	1.2
95.04978	6.5
95.08618	11.3
97.06532	11.2
105.07056	3.6
107.01665	3.5
107.04948	2.8
107.08602	42.6
109.06525	3.8
109.10159	7.5
110.03690	2.4
111.04449	14.2
111.08086	9.0
111.96877	2.7
121.06516	2.7
123.08066	0.9
124.14152	0.9
125.05997	7.1
135.08058	3.0
135.11703	24.6
138.03134	1.5
138.65689	1.2
152.06226	1.2
153.05499	8.2
153.06982	4.0
153.09077	7.2
153.12769	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.52340	1.0
53.03936	5.1
55.01870	6.2
55.05512	35.3
57.03427	5.8
57.07057	3.6
59.05011	7.9
59.05272	1.9
62.99072	1.9
65.00636	2.2
65.03947	18.6
67.05173	2.0
67.05506	28.1
68.99786	1.1
69.03429	8.9
69.07069	28.2
70.47337	2.9
70.94265	5.1
70.95864	1.4
71.04995	11.5
73.06551	2.5
77.03873	1.1
79.05064	1.8
79.05494	25.6
79.74087	0.9
81.03390	1.1
81.07059	31.1
83.04985	100.0
83.08628	7.4
84.05324	1.8
88.95295	1.7
89.02380	2.4
91.04909	1.0
91.05486	26.0
93.03416	11.3
93.07046	63.3
94.07352	1.3
95.04974	25.3
95.08612	39.1
97.02909	1.2
97.06538	40.3
105.04574	1.4
105.07047	10.5
107.01655	3.3
107.04949	3.4
107.08598	92.7
108.08936	1.8
109.06518	27.5
109.10159	74.8
110.03671	2.7
110.10497	1.1
111.04449	24.9
111.08084	37.4
111.96854	2.7
119.06075	2.0
119.08500	2.1
123.08143	1.3
123.11703	1.2
125.05984	13.1
125.09634	12.9
129.97899	2.0
135.04388	1.2
135.08060	10.9
135.11697	38.8
136.12003	1.2
148.57079	1.0
153.01826	2.2
153.05495	7.5
153.06969	2.1
153.09114	13.3
153.10184	2.0
153.12749	59.0
154.13144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00302	2.3
53.03949	4.1
55.01875	2.8
55.05522	13.9
59.05000	8.6
62.99062	2.3
65.00640	1.6
65.03946	11.2
67.05507	8.8
69.03432	2.6
69.07066	13.1
70.51678	1.5
70.52013	3.2
70.94273	4.2
70.96508	1.3
71.04996	31.6
73.06561	22.9
79.05502	32.3
81.03408	1.7
81.07064	100.0
83.04985	5.7
83.08609	2.9
91.05489	12.3
93.03398	4.4
93.07052	55.2
95.04965	5.8
95.08619	19.1
97.06535	16.2
102.06593	1.4
105.04539	1.6
105.07037	2.3
107.01683	2.0
107.05010	2.5
107.08604	55.8
109.10170	17.3
111.04472	11.5
111.08082	7.3
111.96943	2.9
117.06973	1.6
119.08601	2.0
122.05933	1.6
125.06017	6.5
135.08110	2.5
135.11699	34.3
138.03165	2.1
153.01895	1.9
153.05493	8.9
153.06844	2.7
153.09126	3.2
153.12749	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	2.9
55.01868	3.7
55.05519	8.4
57.03429	3.2
59.05009	17.5
62.99067	6.5
64.11497	1.9
64.80131	1.4
65.00654	3.6
65.03947	11.2
67.05511	18.2
69.03427	4.2
69.07073	25.7
70.94254	7.8
70.95867	2.1
71.01341	2.4
71.04999	39.1
71.34864	3.8
71.94090	3.0
73.06576	8.4
79.05503	20.6
81.07064	100.0
83.04981	7.1
83.08630	2.5
89.02407	3.8
91.05492	14.9
93.03413	9.6
93.07049	52.8
94.07401	1.9
95.04987	8.8
95.08623	21.7
97.06537	40.5
105.07021	3.7
107.01667	9.2
107.04967	3.8
107.07870	2.6
107.08603	52.7
109.06522	4.1
109.10173	43.8
109.10917	2.0
110.03657	4.1
110.10479	1.9
111.04453	17.6
111.08075	15.0
111.96874	3.9
121.06562	2.0
124.59119	1.5
125.05985	10.8
135.08061	3.2
135.11694	25.6
138.03067	1.7
138.09930	2.0
152.06169	2.3
153.05614	8.5
153.06926	8.8
153.09071	4.1
153.12758	62.3
154.08681	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03946	1.1
55.05516	2.9
56.61806	0.4
57.03438	0.4
57.07074	0.5
59.05001	0.5
65.03942	0.5
67.05508	4.9
69.07083	0.4
70.19962	1.4
70.98777	0.4
77.03904	0.5
79.05502	6.1
80.03043	0.3
81.07077	4.7
83.04983	1.4
90.68088	0.4
91.05489	23.4
92.05800	0.4
93.07043	5.1
95.04958	1.2
95.08625	1.9
98.21407	0.4
101.06013	1.6
103.03291	0.5
103.05478	2.5
105.07037	18.1
106.07373	0.5
107.08597	1.4
109.10157	0.7
111.04469	2.1
115.05460	19.0
116.06264	3.6
117.07024	34.4
118.07349	0.6
119.08592	6.2
120.81541	0.4
127.05436	1.6
128.06236	11.3
128.58388	0.4
129.07018	23.8
130.07819	10.6
131.04933	0.8
131.08582	46.7
132.09399	0.7
141.07019	0.4
143.08575	6.6
144.05630	0.6
144.09370	3.2
145.06499	27.5
145.10133	70.2
146.10489	1.7
153.06995	5.2
154.07794	2.2
155.04919	1.6
155.06049	2.8
155.08562	25.9
156.08995	0.7
157.06514	3.0
158.07286	67.2
158.10860	4.3
159.07622	1.6
171.11655	0.7
173.06039	15.4
173.09634	100.0
173.13261	39.3
174.06311	0.7
174.10031	3.2
183.09131	0.6
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	Unknow
Peak:m/z	Relative Intensity
54.32810	0.5
55.05508	5.5
56.69765	0.6
57.07062	0.6
59.91618	0.6
64.82012	0.6
65.03939	0.7
67.05508	3.8
72.93772	0.9
76.02201	0.7
78.86671	0.6
79.05475	1.4
81.07038	2.3
83.04987	5.3
89.03896	1.4
91.05488	12.2
93.07037	1.9
101.06018	4.6
103.03308	0.8
103.05453	1.2
105.06380	1.0
105.07038	11.5
111.04453	6.3
115.05454	7.3
116.06211	1.9
117.07027	13.5
119.08591	17.1
128.06226	2.9
129.05460	1.8
129.07011	9.2
130.07814	4.8
131.08571	61.7
132.08904	1.0
133.10100	1.8
142.07817	0.7
143.08568	19.6
144.09354	7.3
145.06487	7.8
145.10123	41.2
146.10542	1.2
155.07152	3.3
155.08575	2.9
156.09306	1.9
157.10143	1.5
158.07317	5.8
158.10927	25.6
158.12256	1.4
171.11662	2.4
173.02321	1.4
173.05977	3.4
173.08202	4.4
173.09647	11.5
173.13268	100.0
174.13606	2.6
184.25356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1328
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.90176	0.5
52.77712	0.5
53.03953	0.6
55.05520	6.8
57.07078	0.6
59.04991	1.1
60.04507	0.6
62.86276	0.5
65.03941	0.6
67.05496	2.4
70.56370	1.9
72.93785	2.2
76.02254	0.5
79.05495	2.1
81.07073	3.0
83.04992	5.2
90.90407	0.6
90.94814	1.9
91.05487	8.9
93.07059	1.5
95.08632	0.8
101.06038	4.7
103.03277	1.2
103.05465	1.1
105.07040	10.1
111.04462	7.0
115.05479	2.9
116.06242	2.3
117.07021	6.6
118.96467	0.6
119.07786	1.0
119.08594	12.9
128.06238	2.0
129.05489	1.9
129.07010	9.6
130.07832	3.7
131.08580	68.8
132.08913	0.9
133.10120	2.2
142.07780	1.1
143.04916	0.7
143.08568	19.0
144.09364	7.3
145.06482	3.2
145.10139	32.0
146.06021	0.6
146.10420	1.1
149.96106	0.8
155.07036	4.3
155.08553	1.6
156.09332	1.1
157.10141	1.5
158.07301	3.9
158.10927	29.6
171.11690	2.6
173.05972	2.4
173.08157	7.6
173.09668	6.9
173.13280	100.0
174.06789	1.9
174.09038	0.6
174.13626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05505	2.1
64.87064	0.6
65.03934	0.8
67.05492	3.4
71.26317	1.2
77.03926	0.9
79.05489	1.4
80.88459	0.7
81.07057	2.5
83.04971	1.9
91.05482	31.6
93.07031	1.6
95.04932	0.8
101.05999	1.6
103.05434	3.9
105.03374	1.3
105.07043	12.2
107.08621	0.9
111.04447	1.7
115.05456	40.5
116.06274	5.9
117.07021	31.1
119.08586	15.9
127.05435	4.6
128.06230	11.7
129.05551	1.0
129.07010	18.9
130.07805	6.5
131.04874	1.1
131.08578	48.4
132.08846	0.8
133.10133	2.0
133.11086	0.8
143.08569	17.1
144.05702	1.6
144.09355	6.5
145.06491	85.0
145.10130	42.4
145.11293	1.7
146.06804	2.6
146.10500	1.0
153.07042	1.4
155.04938	1.2
155.06007	5.7
155.07286	1.5
155.08551	9.1
156.09290	1.3
158.07294	18.4
158.10922	24.7
163.07559	1.7
171.11685	2.9
173.05992	100.0
173.09644	28.2
173.13269	82.5
174.06364	2.8
174.13641	1.5
194.27620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
55.05532	0.5
64.64231	0.5
67.05500	1.1
69.84519	3.0
78.67931	0.5
79.05511	0.7
79.62065	0.5
82.07574	0.5
89.97509	0.5
91.05486	8.0
93.07114	0.5
100.11507	0.5
103.05499	1.3
105.07030	7.1
111.04449	0.6
115.05453	5.2
116.06243	1.4
117.07024	12.4
119.08562	1.0
125.15906	0.5
128.06226	2.6
129.07010	9.4
130.07782	8.1
131.08582	7.7
143.08551	2.7
144.09377	0.6
145.06474	3.4
145.10129	56.9
146.10432	0.9
153.06982	5.4
154.07770	1.8
155.05978	0.9
155.08557	26.4
157.06531	3.0
158.07278	74.0
159.07584	1.3
173.09628	100.0
173.13091	5.1
174.09935	3.2
183.09169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0964
Annotation	Palutropone
Peak:m/z	Relative Intensity
51.44221	0.5
52.11127	0.6
53.03954	1.5
53.74186	0.5
55.05523	3.5
57.07092	0.8
59.05001	0.6
65.03936	1.3
65.64980	0.6
67.05508	3.8
69.64809	3.2
73.53151	0.5
77.95180	0.5
78.54871	0.6
79.05495	3.6
81.07066	4.7
81.94195	0.5
82.43532	0.6
83.04995	3.1
83.98255	0.5
90.90379	1.1
91.05493	34.4
93.07060	2.9
95.04980	1.2
95.08652	0.9
101.06046	1.5
103.03311	1.4
103.05482	6.3
105.03410	1.1
105.07043	41.0
107.05025	0.6
110.73037	0.6
111.04475	4.1
113.29878	0.5
115.05467	26.3
116.06273	5.8
117.07034	50.5
118.07323	0.8
119.04947	0.6
119.08588	10.3
127.05458	2.2
128.06236	11.0
129.05544	0.8
129.07024	21.7
130.07811	26.1
130.37268	0.5
131.04938	1.5
131.08586	59.7
132.05701	0.6
132.09021	0.6
133.06433	0.6
133.10139	1.0
143.08589	17.3
144.05724	3.1
144.09372	7.0
145.06502	49.5
145.10139	100.0
146.06880	1.3
146.10481	1.9
149.94060	0.7
153.07027	2.9
154.07803	1.6
155.06029	4.2
155.07175	1.5
155.08568	19.9
156.09274	1.0
157.06500	1.1
158.07292	30.3
158.10948	13.2
159.07742	0.9
163.07529	0.8
163.11195	1.6
171.11774	1.2
173.06015	55.2
173.08470	4.1
173.09644	96.3
173.13272	63.5
174.06390	1.1
174.10020	3.3
174.13649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0964
Annotation	Palutropone
Peak:m/z	Relative Intensity
51.02365	0.6
51.06396	0.4
53.03942	1.2
53.49234	0.4
55.05515	3.2
57.07051	0.5
62.81972	0.4
63.02392	0.4
65.03943	1.1
67.05506	4.6
68.91894	0.4
69.02688	0.3
71.57233	0.5
72.77309	0.4
76.49730	0.3
77.03929	0.3
79.05496	4.4
80.05753	0.3
81.03417	0.4
81.07055	5.1
83.04984	2.7
83.80860	0.4
90.90401	0.8
91.05483	34.1
92.05801	0.6
93.07041	2.5
95.04987	1.7
95.08609	0.7
101.06015	1.8
103.03323	0.5
103.05474	5.8
105.03449	0.6
105.07031	45.1
106.07359	1.1
107.04929	0.4
107.08601	0.6
111.04462	2.4
115.04826	0.2
115.05454	22.6
116.06268	5.6
117.07021	47.7
118.07317	0.8
119.04951	0.6
119.08590	9.7
119.09456	0.5
121.06481	0.3
127.05470	1.5
127.07565	0.5
128.06230	11.0
129.05482	1.0
129.07010	23.1
130.07799	27.7
131.04941	1.2
131.08572	57.4
131.92976	0.5
132.05696	0.5
132.08057	0.5
132.08998	1.3
133.06490	0.4
133.10152	1.2
140.06189	0.4
141.06966	0.9
142.07780	0.7
143.08566	17.4
144.05722	2.5
144.09373	5.7
145.06491	35.8
145.10124	98.7
146.06833	0.9
146.10463	3.0
147.08040	0.5
148.05232	0.5
149.94084	0.7
153.06998	3.4
154.07764	1.5
155.05972	3.3
155.07150	1.3
155.08553	19.1
156.09175	0.7
157.06514	1.2
157.10124	1.1
158.07280	30.8
158.10931	12.4
159.07704	0.6
163.07588	0.8
163.11224	1.9
171.11705	0.9
173.06009	37.0
173.09624	100.0
173.13254	60.3
173.91286	0.4
174.06393	1.2
174.10034	3.2
174.13614	1.5
183.09146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
53.03942	1.0
55.05513	5.1
56.74529	0.6
58.96818	0.6
59.05001	0.7
67.05503	2.2
70.89137	1.8
72.93805	0.8
79.05499	3.6
81.07068	6.4
83.04985	3.8
90.22968	0.7
90.94805	1.1
91.05486	31.7
93.07063	4.5
95.04957	1.4
95.08620	0.8
101.06026	3.1
101.79430	0.7
103.03331	0.8
103.05480	3.6
105.03397	2.0
105.07031	17.7
107.04907	0.6
111.04450	5.0
113.60339	0.6
114.54531	0.7
115.05460	45.2
116.06283	5.5
117.07024	38.6
119.08599	6.1
120.52261	0.6
127.05426	2.9
128.06233	15.8
129.05519	1.1
129.07013	21.6
130.07797	9.1
131.08575	54.3
133.10063	1.2
136.79303	0.6
142.39053	0.6
143.08560	9.4
144.05688	1.5
144.09348	4.2
145.06493	100.0
145.10130	61.7
146.06839	1.9
153.06995	2.2
155.06000	4.2
155.07097	2.5
155.08574	11.3
156.09261	0.8
157.06516	1.1
158.07283	29.4
158.10922	10.7
163.07564	1.2
167.97124	0.7
171.11778	1.1
173.05998	94.0
173.08371	3.5
173.09628	44.5
173.13268	51.7
174.06329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
55.05516	1.0
56.01117	0.4
63.02375	0.5
67.05513	1.9
69.65466	1.4
69.65880	1.0
79.05505	1.7
81.07063	1.7
83.04977	0.5
91.05488	22.4
93.07047	1.4
95.02687	0.4
101.06023	0.4
102.04691	0.7
103.05489	3.6
105.03429	1.0
105.07042	7.6
111.04430	1.5
115.05464	36.4
116.06292	3.7
117.07032	25.8
119.04888	0.4
119.08587	5.4
122.59788	0.4
127.05444	4.5
128.06236	11.2
129.07021	16.7
129.51089	0.5
130.07800	4.4
131.04922	0.8
131.08582	28.2
133.06474	0.4
133.10149	0.5
143.08557	5.9
144.05753	2.1
144.09335	3.5
145.06496	83.0
145.10132	30.0
146.06859	1.4
153.07033	0.9
154.07918	0.5
155.04967	0.6
155.06061	5.1
155.07207	0.6
155.08563	7.8
157.06528	0.7
158.07291	15.9
158.10913	6.8
163.07550	1.3
167.40175	0.5
171.11723	0.6
173.05998	100.0
173.09634	22.9
173.13268	29.4
174.06363	2.3
174.09924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
55.05495	18.1
57.07080	4.6
59.04978	6.1
65.54544	5.0
67.05501	16.2
69.03441	5.7
69.07073	38.5
71.04963	9.7
72.04525	21.7
79.05509	8.9
81.07049	13.6
83.04980	10.2
83.08599	20.7
85.02901	5.4
85.06558	5.2
89.07175	25.4
91.05486	9.6
93.03401	5.7
93.07048	41.1
95.04974	7.1
95.08630	27.6
97.06551	49.7
105.07011	6.9
106.25031	4.3
107.08612	59.1
109.10167	30.5
111.04444	10.6
111.08060	5.5
111.11710	4.4
115.05447	12.2
117.07013	4.1
126.09145	6.1
128.06238	51.0
129.07036	29.2
130.07794	5.3
133.00806	4.1
135.11700	41.9
139.03897	6.3
141.07007	28.0
142.07796	16.9
143.08565	76.0
153.12743	31.5
155.05980	8.5
155.08549	8.2
156.09364	88.0
158.54041	4.1
171.07967	18.0
171.11714	100.0
171.14902	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	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.58511	4.0
55.01856	3.9
55.05510	21.7
57.03424	5.2
57.07067	5.8
59.04987	6.3
63.04629	4.0
67.05503	22.0
69.03424	8.6
69.07075	54.2
69.67614	25.7
71.04992	9.8
72.04510	29.0
79.05486	12.3
81.07059	20.1
83.04993	9.5
83.08625	18.3
85.02937	4.6
85.06548	4.6
87.49076	3.9
89.07181	18.4
91.05473	14.1
93.07049	55.6
95.04982	5.0
95.08617	42.0
97.06536	81.0
98.21480	7.5
105.07029	6.0
107.08610	100.0
109.06413	4.0
109.10178	46.3
110.10497	4.8
111.04441	12.1
111.08073	14.7
115.05464	12.6
123.40211	4.0
126.09154	5.8
128.06247	41.7
129.07014	28.8
130.07811	3.6
135.11694	69.2
139.03894	4.7
141.07018	20.2
142.07785	12.9
143.08569	67.5
153.06990	5.4
153.12769	43.3
155.08562	4.9
156.09357	83.0
171.08064	17.0
171.09395	5.5
171.11693	88.0
171.13234	5.9
171.14973	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	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.95247	0.3
53.03948	0.3
55.05508	1.1
66.33106	0.4
72.04516	1.6
77.30247	0.3
79.05484	2.8
89.07157	0.8
91.05482	1.6
103.05471	1.1
105.07044	4.6
105.39106	0.4
111.04424	0.7
115.05452	3.3
117.07001	0.6
128.06230	31.4
129.07027	15.1
129.07755	0.2
130.07834	3.5
131.08574	1.9
141.06995	24.5
142.07790	21.5
143.08566	80.5
144.08904	1.8
145.06509	1.9
153.07011	0.8
154.07825	0.7
155.06047	2.0
155.08557	6.4
156.09354	100.0
157.09613	2.7
169.10178	0.8
171.08185	3.5
171.11694	68.0
172.11987	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	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.01876	0.5
55.05513	2.2
56.96575	0.7
57.91853	0.4
69.07083	0.4
70.09511	1.9
72.04524	8.2
79.05495	1.2
79.26645	0.5
80.04069	0.4
81.07064	0.6
83.08635	1.6
85.09162	0.5
89.07160	5.9
91.05487	1.4
95.04948	0.5
95.94407	0.4
98.21404	0.7
101.52729	0.4
103.05502	0.7
105.07044	1.6
107.08568	0.5
111.04449	1.2
115.05481	2.3
119.08589	0.6
126.09238	1.1
128.06221	13.9
128.07126	0.9
129.07016	7.5
130.07773	1.3
130.46864	0.4
131.08597	0.6
141.07001	18.2
142.07800	5.2
143.08568	33.1
144.08902	0.9
145.06528	1.1
153.06970	1.2
155.06041	0.7
155.08551	5.2
156.09357	100.0
156.64502	0.4
157.09717	2.9
169.10188	0.9
171.08067	4.8
171.11700	73.8
172.12079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.117
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.82861	0.6
53.73974	0.5
54.11351	0.6
54.95821	0.6
55.05520	6.0
57.07086	1.0
57.87539	0.6
64.32729	0.6
67.05504	0.8
69.07086	1.0
69.72109	1.0
69.72506	3.5
70.00141	0.6
71.08683	0.6
72.04520	6.7
79.05500	3.1
81.07054	1.2
83.08646	3.8
88.07604	1.2
89.07168	6.9
91.05516	2.6
95.04947	0.6
97.10188	1.4
102.09204	0.6
103.05441	0.6
105.07046	3.8
115.05420	2.9
117.07047	0.6
119.08543	0.6
121.02381	0.9
128.06238	29.9
129.07027	15.9
130.07797	1.5
131.08571	1.1
141.07004	24.4
142.07797	19.3
143.08577	60.1
144.08908	1.2
145.06525	2.1
153.05357	0.7
153.06938	0.6
155.06070	1.7
155.08580	6.2
156.09364	100.0
157.09732	2.0
169.10112	1.4
171.08058	5.2
171.11710	92.9
172.12077	1.2
172.16997	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	171.0806
Annotation	4-Hydroxybiphenyl
Peak:m/z	Relative Intensity
55.05523	3.7
57.03430	0.5
65.03944	0.5
67.05504	0.4
69.03429	0.5
69.07072	0.4
69.56226	3.0
70.94263	0.5
71.08697	0.4
72.04524	5.4
73.03613	0.3
79.05504	1.4
81.07044	0.8
83.08648	1.8
86.33704	0.4
87.04440	0.5
89.07167	3.0
91.05500	2.0
93.05795	0.4
93.89845	0.4
103.05490	3.3
105.07049	2.1
105.93866	0.5
111.04426	0.8
115.05469	7.2
117.07008	1.9
126.09169	1.1
127.05450	1.3
128.06236	83.7
129.07059	10.4
130.07800	1.9
139.03964	0.5
141.07004	13.3
142.07828	5.9
142.53716	0.4
143.08575	100.0
144.08934	1.9
145.06509	4.3
152.06250	1.1
153.07042	1.5
155.06047	5.3
155.08577	2.3
156.09370	32.9
157.09669	0.4
169.10185	0.5
170.10364	0.6
171.08069	42.8
171.11707	36.8
171.14767	2.2
172.08534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0805
Annotation	4-Hydroxybiphenyl
Peak:m/z	Relative Intensity
52.57562	0.3
55.38836	0.3
57.08605	0.3
66.47683	0.3
70.39050	1.4
72.04530	0.6
79.05492	0.4
89.07159	0.5
90.78991	0.3
91.05508	0.4
103.05472	1.8
105.07076	0.7
115.05471	3.7
117.07013	1.0
127.05447	0.7
128.06229	67.3
129.07123	2.2
130.07822	0.3
141.06998	4.4
142.07788	2.1
143.08565	100.0
144.08870	2.1
145.06499	3.3
152.06186	0.4
155.06050	3.9
156.09383	7.4
171.08057	22.6
171.11696	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	171.0806
Annotation	4-Hydroxybiphenyl
Peak:m/z	Relative Intensity
55.01868	0.9
55.05518	3.9
56.96573	0.7
60.03443	0.5
65.03945	2.3
67.86735	0.5
68.99780	0.5
69.07068	1.0
70.31811	1.9
72.04520	10.6
75.07928	0.5
79.05492	2.7
81.03421	0.7
81.07040	0.6
83.04972	1.2
83.08620	2.6
89.07159	7.6
91.05501	2.9
93.03448	0.7
93.07079	0.5
103.05486	2.1
105.07013	2.9
107.08629	0.7
111.04439	5.7
115.05456	6.6
117.07026	2.8
119.08569	0.7
121.04049	0.8
125.05899	0.6
125.09634	0.5
126.09159	1.5
127.05462	0.8
128.06232	95.0
129.07048	13.2
130.07803	2.2
131.08565	1.3
139.03909	4.8
141.06998	17.4
142.07799	10.3
143.08569	100.0
144.08879	1.5
145.06500	5.8
152.06219	1.1
153.07011	2.0
154.07745	0.6
155.06068	5.6
155.07230	0.7
155.08577	4.2
156.09364	55.7
157.09746	0.8
169.10159	0.8
169.71025	0.5
171.06909	1.0
171.08066	46.1
171.11700	57.4
172.08492	1.5
172.12030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72210	0.2
55.05518	1.3
58.36879	0.2
61.01012	0.2
65.03934	0.3
72.04520	3.3
79.05489	0.5
83.08623	0.7
89.07162	1.8
91.05495	1.3
103.05488	2.0
105.07038	1.1
115.05472	4.1
117.07032	0.8
125.05981	0.2
127.05428	1.2
128.06233	72.2
129.07083	4.5
130.07803	0.4
131.04999	0.3
133.84532	0.2
141.07008	6.7
141.08121	0.4
142.07796	3.7
143.08571	100.0
144.08926	1.9
145.06505	4.1
152.06213	0.6
153.07010	0.5
155.06039	4.7
155.08522	1.1
156.09366	14.8
169.10204	0.3
171.08066	25.7
171.11703	16.5
171.14865	1.2
172.08424	0.8
191.05548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0765
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
54.03457	0.5
55.01875	1.8
55.05514	0.7
56.96566	1.4
65.03951	2.5
67.05505	0.6
68.05038	0.6
68.99800	0.6
69.03426	1.4
70.06597	0.6
71.54025	0.4
72.04530	0.5
72.08187	0.6
73.02929	0.5
79.05490	0.7
81.03436	1.2
81.04568	1.1
83.04990	1.9
84.04516	0.6
84.08153	0.6
89.25269	0.3
93.03391	0.8
94.04893	0.4
95.04929	0.7
95.06094	8.7
96.06881	67.3
97.02919	0.8
97.07676	8.9
98.97589	1.4
99.04453	0.6
100.04011	0.5
101.00909	1.4
103.00619	0.5
103.02484	0.4
110.97620	1.0
111.04443	7.1
114.09214	0.7
116.98650	0.6
119.01931	2.9
121.01670	1.1
125.07124	60.4
126.09168	1.7
126.65938	0.4
128.98619	1.6
135.06381	1.9
137.02953	0.5
139.00298	1.8
139.03925	6.5
140.67259	0.4
146.99692	1.0
147.01407	0.9
147.03221	0.7
153.06450	1.0
153.07628	2.1
157.01404	0.7
171.07658	100.0
172.07991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05518	16.5
55.93518	1.4
56.33453	0.9
56.71701	1.1
56.96577	2.6
57.03441	2.5
57.06818	1.6
57.07079	18.6
58.06593	1.6
67.05505	7.3
69.03432	2.0
69.07072	100.0
70.03776	1.3
70.06587	2.8
71.04990	4.8
71.08643	12.2
71.57617	1.0
72.04520	6.5
72.08163	12.1
79.05492	8.5
81.07068	21.5
82.06615	1.2
83.04990	7.2
83.08627	18.1
84.08141	2.2
85.10207	1.1
86.06079	14.5
86.09695	1.5
89.07153	3.0
91.05486	2.6
92.05019	1.8
93.05795	3.3
93.07053	15.1
95.08617	19.5
96.05273	1.1
96.08143	2.9
97.06538	29.5
100.07626	29.4
103.05457	2.2
105.07045	2.6
107.08607	23.4
109.10179	11.7
110.06048	3.2
111.08095	11.8
111.11731	19.4
114.08403	1.6
114.09180	25.0
115.05444	4.1
122.07231	1.0
123.04431	1.0
124.04778	2.6
124.07607	3.3
125.13369	1.0
128.06236	51.5
128.10710	3.3
128.14368	6.2
128.95067	2.8
129.07013	4.5
129.24911	0.9
134.06030	1.1
135.11708	42.4
135.15759	1.2
141.06992	7.2
142.07634	3.8
142.08716	1.7
143.08577	63.5
145.06499	2.9
146.96165	2.9
152.04298	1.3
152.07082	2.4
153.06920	2.2
153.12770	35.4
154.07362	2.2
155.06059	3.9
155.08583	31.3
156.09358	14.2
169.06441	1.5
169.10136	5.1
170.08109	5.5
170.09491	1.8
170.10851	23.1
170.15410	35.3
171.08057	20.4
171.11725	16.1
171.14891	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	170.0815
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03941	0.6
55.01867	1.0
55.05507	0.7
55.93493	0.4
56.05031	0.5
56.47800	0.3
56.96569	3.3
57.03428	0.6
61.02935	0.3
65.03927	0.8
67.05492	0.9
68.05019	0.7
68.05836	0.4
68.99784	0.9
69.03436	2.0
69.47017	1.4
69.47429	1.0
70.03779	0.4
70.06583	1.1
70.95882	0.4
72.08152	0.3
73.02921	0.8
75.34516	0.3
78.56087	0.3
79.05515	2.2
80.05013	0.6
81.03415	1.4
81.05818	0.8
81.07059	0.7
82.03736	0.4
82.06575	0.7
83.04988	0.5
83.06065	0.4
84.04527	0.7
84.08146	0.6
84.96018	0.5
85.02896	0.7
87.04416	0.3
89.35992	0.3
91.05463	0.6
92.05021	0.5
93.05778	1.0
94.06572	0.7
95.04962	0.7
96.04467	0.4
96.05296	0.4
96.06876	3.0
96.08136	3.1
97.02885	1.1
97.06559	0.6
97.07664	0.7
98.03244	0.6
98.97559	1.1
100.02489	0.8
101.00880	0.9
101.02376	0.3
103.02433	0.8
106.06569	1.0
107.05014	0.4
109.02869	0.6
109.07642	2.0
110.03185	0.8
110.06033	1.0
110.07195	0.5
110.97631	0.5
111.04444	1.7
114.05545	1.2
114.95193	0.3
116.98590	0.4
118.01038	0.5
119.01913	1.9
121.03476	0.4
123.06800	1.0
124.03947	0.4
124.04776	0.7
124.07594	7.6
124.08696	1.9
125.07164	1.6
126.10266	0.4
127.01566	0.5
127.03933	1.0
128.95056	1.0
128.98601	0.7
129.03891	0.4
131.01874	0.4
134.06026	66.2
135.06372	1.0
136.06161	0.6
137.02330	0.4
139.00276	0.6
139.03920	1.7
142.04994	1.1
142.08676	1.9
143.01707	0.7
145.03482	0.7
146.96147	0.9
146.97437	0.6
146.99643	0.4
147.01363	1.2
147.03180	0.4
147.05064	2.7
152.07079	100.0
153.07417	2.2
155.03345	0.6
161.35155	0.3
164.95905	0.4
165.06099	0.8
170.02997	1.1
170.05824	0.7
170.08148	16.3
170.09567	3.0
170.11823	0.9
171.07681	1.4
188.07738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01867	1.0
55.05507	0.7
55.93493	0.4
56.05031	0.5
56.47800	0.3
56.96569	3.3
57.03428	0.6
61.02935	0.3
65.03927	0.8
67.05492	0.9
68.05019	0.7
68.05836	0.4
68.99784	0.9
69.03436	2.0
69.47017	1.4
69.47429	1.0
70.03779	0.4
70.06583	1.1
70.95882	0.4
72.08152	0.3
73.02921	0.8
75.34516	0.3
78.56087	0.3
79.05515	2.2
80.05013	0.6
81.03415	1.4
81.05818	0.8
81.07059	0.7
82.03736	0.4
82.06575	0.7
83.04988	0.5
83.06065	0.4
84.04527	0.7
84.08146	0.6
84.96018	0.5
85.02896	0.7
87.04416	0.3
89.35992	0.3
91.05463	0.6
92.05021	0.5
93.05778	1.0
94.06572	0.7
95.04962	0.7
96.04467	0.4
96.05296	0.4
96.06876	3.0
96.08136	3.1
97.02885	1.1
97.06559	0.6
97.07664	0.7
98.03244	0.6
98.97559	1.1
100.02489	0.8
101.00880	0.9
101.02376	0.3
103.02433	0.8
106.06569	1.0
107.05014	0.4
109.02869	0.6
109.07642	2.0
110.03185	0.8
110.06033	1.0
110.07195	0.5
110.97631	0.5
111.04444	1.7
114.05545	1.2
114.95193	0.3
116.98590	0.4
118.01038	0.5
119.01913	1.9
121.03476	0.4
123.06800	1.0
124.03947	0.4
124.04776	0.7
124.07594	7.6
124.08696	1.9
125.07164	1.6
126.10266	0.4
127.01566	0.5
127.03933	1.0
128.95056	1.0
128.98601	0.7
129.03891	0.4
131.01874	0.4
134.06026	66.2
135.06372	1.0
136.06161	0.6
137.02330	0.4
139.00276	0.6
139.03920	1.7
142.04994	1.1
142.08676	1.9
143.01707	0.7
145.03482	0.7
146.96147	0.9
146.97437	0.6
146.99643	0.4
147.01363	1.2
147.03180	0.4
147.05064	2.7
152.07079	100.0
153.07417	2.2
155.03345	0.6
161.35155	0.3
164.95905	0.4
165.06099	0.8
170.02997	1.1
170.05824	0.7
170.08148	16.3
170.09567	3.0
170.11823	0.9
171.07681	1.4
188.07738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03936	4.5
54.83677	1.2
55.01866	3.8
55.05510	11.5
56.96550	3.0
57.03428	5.1
57.07073	7.0
59.05003	34.6
65.03947	3.5
67.05505	33.0
68.99754	1.6
69.03426	9.5
69.07071	16.7
70.06579	1.8
71.04994	18.3
71.08623	1.4
71.19998	1.3
71.55653	1.9
73.06526	2.2
79.05499	25.6
81.03411	7.9
81.07059	100.0
83.04984	7.2
83.08632	3.1
85.02903	5.2
85.06543	5.5
87.04472	6.8
91.05480	22.4
93.07046	60.4
95.04968	15.7
95.08058	2.0
95.08611	20.9
97.02864	2.3
97.06525	5.1
99.04447	4.8
99.07074	1.3
99.08061	1.7
101.02380	4.0
105.07039	28.8
107.08601	40.7
109.02892	11.4
109.06525	17.6
109.09461	1.9
109.10163	27.5
110.06145	1.3
110.61186	1.4
111.00816	4.8
111.04429	5.5
111.08087	18.8
113.05994	4.5
115.05411	2.7
121.10149	6.0
123.04437	11.6
123.08054	7.0
123.11720	44.6
124.04696	1.3
125.06013	2.8
125.09622	13.1
126.03131	8.5
127.03935	1.6
127.07559	1.6
128.06212	2.9
128.95052	1.7
129.06976	4.5
133.02855	1.7
133.10138	17.3
135.08073	3.8
141.05463	20.3
141.06987	18.3
148.97136	1.2
150.13313	1.3
151.03935	6.6
151.07585	1.7
151.09453	2.3
151.11183	26.4
153.06963	7.0
153.09096	3.4
154.02711	1.7
154.07782	29.3
167.08600	2.4
169.05049	14.2
169.06424	2.2
169.07707	11.4
169.10114	46.7
169.12239	16.3
170.08110	1.8
170.09554	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	DHMAL
Peak:m/z	Relative Intensity
50.24276	1.6
51.63118	2.0
53.03951	11.4
54.24436	1.7
55.01626	3.5
55.01876	45.9
55.05518	9.7
56.05019	2.0
56.96559	2.9
57.03439	10.6
61.42512	1.8
62.12214	1.7
62.63091	1.8
65.03939	11.6
66.30040	1.6
67.05510	41.0
68.99795	5.5
69.03435	100.0
70.06599	2.5
71.01355	6.7
71.04982	5.7
71.56564	3.2
72.14681	2.0
73.02915	4.8
77.03938	3.0
77.47697	1.8
79.05505	5.8
80.33160	1.9
81.02979	3.8
81.03423	45.3
83.01338	4.8
83.04984	23.3
85.02903	16.3
86.76087	1.8
93.01876	2.2
93.03407	7.2
95.01344	6.9
95.04978	48.0
96.08095	2.1
97.02900	63.0
99.04458	13.1
101.00898	3.5
101.02392	26.8
103.02450	2.4
105.03391	6.5
109.02886	43.9
110.03705	2.9
111.00819	11.3
111.04455	28.2
113.00872	2.4
113.06042	3.2
115.02405	2.1
117.02965	2.9
118.03611	1.9
119.01923	7.7
121.01581	1.8
121.64831	1.9
122.03541	2.8
123.00783	4.1
123.04436	82.2
125.02360	15.1
126.03155	11.4
127.03949	9.1
131.01903	3.9
133.01733	2.0
133.02744	5.0
134.06012	6.3
139.03906	29.0
140.04689	6.9
141.03900	2.4
141.05484	34.5
145.03505	7.0
147.05054	2.4
151.03922	40.1
152.04198	2.0
152.07039	10.8
169.03519	4.1
169.04980	59.6
169.10107	2.7
170.05382	2.2
170.08076	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	168.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59457	3.8
63.96228	3.5
65.33900	3.6
70.14862	15.8
70.15200	3.7
75.53220	3.3
76.40485	3.2
85.10017	4.0
92.47726	3.2
121.20263	3.4
168.04955	7.5
168.06331	100.0
168.07776	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	168.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.6
65.03923	0.5
67.05506	0.4
69.03426	0.5
71.56091	0.4
79.05029	0.8
79.05470	0.9
81.03391	1.3
91.05445	1.2
92.05779	0.6
93.07030	0.4
95.05017	0.4
97.02905	0.4
101.02419	0.8
103.05473	1.6
104.05779	0.5
107.08566	0.3
108.05283	0.4
108.08922	0.5
109.02866	1.4
115.05453	4.7
121.33693	0.3
122.06019	0.5
122.06831	0.6
123.04421	1.8
124.04742	1.1
125.05570	0.6
126.03144	0.7
127.03929	0.5
127.05451	0.5
128.06183	0.6
129.06969	1.1
134.64651	0.3
140.07153	0.3
141.05423	1.5
141.06989	17.6
142.07674	0.4
144.93932	0.4
145.06488	3.8
148.86650	0.3
151.03922	0.9
152.04254	0.6
152.06213	4.1
153.07001	100.0
154.07785	6.0
155.06026	3.5
159.08090	1.1
165.06981	1.9
166.07448	1.5
167.07437	0.9
167.08572	29.4
168.07942	3.2
168.09344	75.2
169.05006	1.4
169.06499	3.8
169.07628	0.8
169.10136	11.1
170.25401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.96565	1.5
58.99876	0.6
59.01598	0.6
62.00410	0.7
64.32961	0.6
67.92516	3.4
69.03416	1.3
69.07066	0.9
70.06560	0.8
70.53489	1.8
74.06841	0.6
75.19994	0.6
78.82191	0.6
79.05500	0.7
80.04987	1.1
80.86471	0.6
81.03403	1.8
81.07050	0.9
82.01413	1.2
82.94850	5.8
83.04962	0.6
84.99589	1.5
85.97305	4.1
91.05496	1.2
93.07032	0.7
94.07384	0.8
95.04943	1.2
96.08161	0.9
97.02882	1.5
100.01962	0.6
100.02502	4.7
101.02412	1.5
102.02213	2.4
102.94834	0.7
103.00644	17.4
103.01289	1.2
103.98331	26.3
104.00948	7.4
105.07047	1.6
108.04454	0.7
109.02878	2.4
111.04449	0.7
115.01199	1.3
115.02429	1.2
117.02195	1.2
118.03554	3.5
119.01946	1.9
119.95190	0.7
120.02016	2.1
120.03271	1.4
121.01673	84.7
121.99378	100.0
122.01969	35.7
122.06024	1.5
122.99463	2.6
123.02080	1.5
123.04466	2.3
123.97444	3.9
125.96429	0.8
126.02218	1.4
126.03111	1.2
126.05527	1.4
126.93783	2.6
126.99899	2.9
127.02484	3.1
130.54074	0.6
131.08521	0.7
133.03479	1.9
135.03229	2.4
136.00862	0.8
137.02969	0.7
139.02708	27.3
140.00418	62.7
140.02995	12.9
140.07034	1.4
141.00529	1.5
141.05502	3.6
143.08551	0.7
144.03235	26.3
144.57567	0.7
144.94812	1.6
144.95828	0.9
145.00961	89.8
145.03572	48.6
146.01062	2.7
150.05482	1.5
151.03874	1.1
153.06990	0.7
155.08470	0.7
156.05116	1.0
157.10062	0.7
159.02568	1.8
159.05194	0.9
162.04309	8.2
162.95863	3.7
163.01994	74.7
163.04642	16.4
163.97710	0.9
164.02148	2.3
167.04861	1.1
167.96330	0.9
168.02640	3.3
168.05164	3.4
168.06604	2.6
168.10257	1.8
169.04996	2.3
177.03606	1.0
181.03867	1.0
186.03239	1.1
186.06152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01564	0.7
52.48642	0.7
52.81448	0.8
53.03949	4.6
55.01874	3.7
55.05515	52.5
57.03431	2.1
57.07065	1.4
59.05004	5.1
59.05241	0.8
65.03938	2.9
66.04707	1.2
67.05173	1.0
67.05511	13.7
69.03430	16.3
69.07070	9.8
71.04988	3.3
71.08601	1.0
78.04717	16.8
79.05494	21.0
81.03421	1.9
81.04551	0.9
81.07063	15.4
83.04987	61.1
83.08624	20.4
85.02915	0.8
85.06541	5.2
85.92031	0.7
91.05488	13.5
92.05807	1.3
93.03386	1.1
93.06476	1.1
93.07055	20.2
94.04211	2.2
95.04975	9.3
95.08605	9.5
96.05777	1.3
97.02874	0.9
97.06544	6.4
97.10171	7.2
99.04461	1.0
99.08099	1.2
100.16924	0.8
103.05457	2.0
105.03395	1.9
105.04507	1.3
105.07050	8.4
106.04201	6.5
107.04964	14.2
107.08601	29.3
109.02884	1.9
109.06522	10.3
109.10163	12.7
111.04451	3.5
111.08094	17.3
112.08897	4.3
113.09663	1.7
119.08585	1.8
121.01624	1.0
121.02865	3.8
121.06555	8.1
121.08437	1.3
121.10150	20.1
122.03635	3.1
123.04437	26.7
123.05332	1.6
123.08071	8.9
123.11696	4.9
124.05264	8.9
125.05964	2.5
125.09641	15.4
127.84769	0.7
131.08569	2.8
134.03572	1.3
135.04401	9.3
136.08829	1.1
137.05975	9.3
137.09642	3.3
138.26752	0.7
139.03943	2.3
139.07539	2.9
139.09531	1.3
139.11157	2.0
148.04782	1.0
149.02339	3.9
149.06004	2.0
149.09634	7.5
149.13283	3.7
151.03911	6.0
152.04709	11.4
152.05975	1.1
167.03453	4.0
167.07056	100.0
167.10681	12.2
167.14330	21.4
168.07564	1.6
168.14610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.7
53.52619	0.7
55.01867	4.0
55.05516	52.2
57.03431	2.9
57.07064	2.5
59.05008	5.9
65.03931	2.2
67.05168	1.1
67.05511	13.3
68.99789	1.1
69.03435	16.7
69.07073	8.4
71.04993	3.0
71.44854	0.7
71.45195	0.9
73.71298	0.7
74.56490	0.6
77.03929	0.7
77.13910	0.6
78.04725	14.6
79.05501	21.1
81.03413	2.0
81.04531	0.7
81.07066	14.4
83.04989	56.8
83.08143	1.4
83.08628	20.9
85.02916	1.3
85.06560	4.5
91.05495	11.6
93.03439	1.0
93.06477	1.1
93.07053	19.3
93.30686	0.6
94.04202	1.1
95.04982	10.1
95.08615	8.4
96.05769	1.3
97.06551	6.2
97.10182	7.2
99.04483	0.9
99.08121	1.6
103.05476	1.4
105.03393	1.6
105.04494	1.3
105.07042	6.9
106.04186	6.9
107.04967	13.4
107.08606	27.1
109.02879	2.2
109.06525	10.9
109.10162	12.4
111.04474	3.6
111.08094	16.1
111.63850	0.8
112.08884	4.9
113.09650	2.2
119.04921	0.9
119.08581	1.4
121.02885	3.8
121.06517	7.3
121.10158	17.9
122.03658	2.8
122.07187	1.2
123.04446	24.1
123.08070	6.9
123.11739	4.7
124.05238	8.6
125.05987	3.0
125.09633	16.3
131.08545	3.1
133.81987	0.7
134.03667	1.3
135.04443	8.8
136.08789	1.4
137.05995	5.8
137.09622	2.9
138.06366	0.8
139.03926	1.7
139.07542	2.6
139.11203	2.5
143.16086	0.7
149.02348	3.1
149.05922	1.2
149.09648	8.0
149.13290	2.8
151.03934	5.4
152.04710	10.3
165.05536	0.8
165.06952	0.9
167.03389	2.6
167.07059	100.0
167.10687	12.4
167.14336	22.5
167.15765	0.8
168.07445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.8
53.03951	3.9
55.01861	2.5
55.05516	38.9
56.05837	0.8
57.03439	1.4
57.07060	1.8
59.05009	4.0
65.03926	2.2
66.04745	0.7
67.05164	0.9
67.05507	8.9
69.03434	10.3
69.07076	6.0
70.06568	0.6
71.04982	2.0
78.04717	11.7
79.05061	1.1
79.05500	11.8
81.03416	2.5
81.07063	10.6
83.04987	40.5
83.08624	17.4
85.02928	0.7
85.06557	3.6
91.05495	7.0
93.03400	1.3
93.06468	1.0
93.07048	13.6
94.04190	0.7
94.06573	0.9
95.04971	6.6
95.08592	4.8
96.05740	0.9
97.02847	0.7
97.06545	3.9
97.10162	4.8
98.98515	0.6
103.05473	1.0
105.03380	1.2
105.04498	0.9
105.07030	2.3
106.04186	4.9
107.04960	7.3
107.08603	12.0
109.02895	1.4
109.06515	4.0
109.10165	7.2
111.04448	3.6
111.08096	12.5
112.08859	2.9
113.09637	1.1
120.46095	0.7
121.01654	1.9
121.02901	4.8
121.03665	1.0
121.06505	7.6
121.10140	9.3
122.03607	1.5
123.04436	22.8
123.08068	2.7
123.11728	4.1
124.05227	6.4
125.05979	2.1
125.09637	8.2
131.08592	1.4
134.03604	1.1
135.04398	3.8
137.05962	1.7
137.09683	1.0
139.03893	3.1
139.05846	0.7
139.07523	2.6
139.11288	0.9
144.03210	1.5
149.02336	4.3
149.05989	2.8
149.09648	2.1
149.13306	3.3
150.05519	0.8
151.03932	3.8
152.04662	6.2
167.03380	5.9
167.07053	100.0
167.10628	4.0
167.14322	17.2
168.07423	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01866	3.9
55.05516	68.7
57.03424	4.2
57.07070	3.4
59.05002	9.1
64.44080	1.0
65.03928	1.9
66.04710	1.3
67.05511	14.4
69.03082	1.2
69.03437	18.3
69.07072	11.9
71.04994	3.6
71.06899	1.0
71.57622	1.1
71.57973	1.2
76.66012	1.0
78.04713	15.3
79.05502	17.7
81.03416	2.4
81.07064	18.9
82.07355	1.2
83.04988	86.0
83.08630	29.9
84.05368	1.3
85.06563	6.5
91.05492	8.1
93.03374	1.1
93.07053	17.3
94.04179	1.2
95.04976	9.2
95.08614	9.6
97.06521	7.1
97.10184	9.7
99.08134	1.4
105.03377	1.5
105.04521	1.4
105.07032	5.1
106.04198	7.0
107.04980	13.2
107.08609	21.9
109.02887	1.8
109.06523	4.7
109.10165	17.5
111.04448	3.7
111.08098	20.4
112.08891	5.7
113.09653	2.8
121.02911	1.4
121.06508	3.0
121.10155	18.5
122.03636	2.3
123.04443	28.6
123.08045	2.5
123.11687	7.2
124.05251	8.8
125.06017	4.1
125.09628	13.0
125.44601	1.2
131.08534	1.6
134.03659	2.5
135.04459	1.9
139.07549	2.6
139.11185	2.1
144.03374	1.0
149.02499	1.0
149.05998	2.0
149.09631	5.1
149.13290	3.4
151.03925	6.5
152.04707	6.3
156.33350	1.1
167.03371	3.3
167.07059	100.0
167.08446	4.1
167.10699	4.3
167.14337	33.5
167.65334	1.0
168.07399	1.4
187.57175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0931
Annotation	N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
52.37698	0.8
53.03949	5.1
54.03474	3.7
55.01867	3.9
55.05524	5.5
56.96568	7.9
57.03438	6.4
57.27475	1.0
58.99863	1.1
59.05013	1.8
61.02933	4.6
65.03922	1.5
65.92647	1.2
66.92742	1.7
67.05500	1.1
67.92504	1.6
69.03438	16.0
69.78542	4.4
71.04996	5.8
73.02933	6.6
76.13210	0.9
78.04746	1.6
79.05499	2.8
81.03465	10.4
81.04549	100.0
81.07030	1.2
81.48753	0.9
81.95078	3.2
82.94852	4.5
82.99849	1.1
83.01360	1.4
83.03472	4.0
83.05022	1.5
84.99610	1.6
85.01423	2.0
85.02916	13.9
85.06565	3.1
88.02689	1.2
90.01540	0.9
91.05453	1.3
93.03734	2.1
93.07035	1.0
94.06588	1.7
95.03476	5.7
95.04979	1.2
97.02907	35.3
98.03231	2.0
98.97598	10.2
99.04447	2.1
101.00927	5.4
101.03480	2.9
102.00983	2.1
102.02350	1.4
102.04255	4.9
103.00648	26.1
103.02447	4.1
103.03153	2.1
104.03044	1.2
104.03986	4.4
107.03421	1.3
107.04967	1.9
107.06128	1.3
107.08617	1.1
108.04227	4.6
109.02874	5.7
109.05050	1.7
110.03983	1.9
110.97618	1.0
111.02927	2.0
112.99145	2.7
113.00866	2.6
113.01643	1.1
114.04257	1.9
115.00690	0.9
115.02448	3.9
115.03964	1.2
116.03977	1.4
116.98618	2.3
117.03993	4.4
117.04735	2.1
119.01929	9.8
120.02034	3.5
120.03345	1.5
121.01681	76.2
121.06506	1.5
122.07168	64.1
122.97739	2.0
123.04501	4.3
123.97496	2.4
126.02225	3.5
126.93792	2.0
127.03927	2.7
128.02347	1.0
129.04019	7.2
131.00204	2.3
131.01912	6.4
133.03494	2.7
135.05074	1.9
137.02893	1.1
137.04572	1.7
138.06345	3.1
139.02698	17.8
139.09802	63.5
140.02275	1.2
140.08226	2.7
143.00139	1.0
143.01955	2.2
143.03613	1.7
143.95084	1.3
144.03256	50.2
144.94830	1.4
145.03493	5.3
145.04988	1.7
146.04980	11.9
146.55122	2.0
147.05037	62.4
148.05161	7.8
149.04814	6.2
150.05397	5.6
150.06551	2.2
155.04495	1.4
155.05627	7.6
155.55614	1.8
156.05417	1.1
157.03488	2.7
158.99644	3.0
161.01270	2.3
161.03000	2.0
161.06636	1.5
161.96204	2.1
162.03105	1.5
162.04301	10.6
162.95833	1.8
163.02815	1.3
163.04460	1.7
164.05186	1.1
165.06120	18.2
166.06252	2.0
167.03513	1.1
167.04721	1.4
167.05818	1.9
167.07130	13.3
167.09291	63.8
168.05191	1.9
168.07722	2.2
170.99628	1.0
171.05106	4.7
173.06743	1.2
177.00809	1.7
183.05029	1.8
185.02922	2.2
189.06058	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	167.0856
Annotation	Phenalene
Peak:m/z	Relative Intensity
51.90070	0.3
53.03934	1.5
55.01866	0.8
55.05503	0.5
65.03935	0.5
66.04726	0.4
67.05491	1.3
68.28815	0.4
69.07072	0.6
70.52578	0.8
71.04973	0.4
78.04711	12.0
79.05059	0.6
79.05491	5.8
81.03431	1.1
81.07059	1.8
83.04976	1.1
87.72903	0.4
91.05490	1.4
93.03378	0.6
93.07025	2.2
94.04192	1.1
95.04967	2.4
95.08597	0.5
96.05750	0.7
97.06542	0.7
103.05501	0.6
105.03421	0.7
105.07030	0.8
106.04172	4.5
107.04948	3.5
107.08608	2.9
109.02875	1.5
109.06502	0.9
109.10149	0.4
111.04431	0.6
111.08054	0.4
121.01807	0.4
121.02831	0.8
121.06496	1.6
121.10146	2.3
122.03646	1.5
123.04430	20.7
123.08041	0.5
124.05230	7.0
125.05978	0.4
128.06281	0.4
134.03622	1.1
135.04425	0.9
137.05952	0.5
139.07565	1.3
141.07031	0.8
149.02336	0.5
149.05965	0.8
149.09618	1.2
151.03914	4.5
151.05215	0.5
152.04710	4.2
152.06207	26.8
153.06992	6.5
165.05588	0.6
165.07005	13.3
166.07803	5.6
167.03374	1.3
167.07050	71.4
167.08566	100.0
168.07431	0.9
168.09218	6.3
169.06508	1.9
173.10179	0.3
179.05911	0.5
185.50589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02390	1.0
53.03941	3.2
55.05500	1.2
59.17845	0.8
65.03922	0.9
66.04727	1.0
67.05505	2.0
69.03445	1.1
69.05774	0.8
69.41199	0.8
69.66367	5.1
78.04720	17.6
78.53407	1.1
79.05499	8.6
81.03427	1.9
81.07050	3.7
89.64976	0.8
91.05491	3.2
93.03404	1.6
93.07039	6.1
94.04192	3.6
95.04970	5.9
95.08610	1.3
96.05755	7.2
105.03391	1.6
105.04508	0.9
105.07047	1.7
106.04177	6.9
107.04955	3.8
107.08604	13.3
108.05747	9.9
109.02904	4.2
109.06566	5.7
121.10148	10.1
122.03660	1.8
123.04442	29.4
123.08067	1.2
123.11684	1.6
124.05223	33.6
125.05949	2.9
125.09639	1.4
131.08553	1.1
134.03635	1.2
135.04387	1.8
137.06113	1.0
138.06790	1.0
139.07552	63.9
139.11221	1.3
139.50136	0.8
140.07935	2.0
149.09663	1.7
151.03905	7.3
152.04732	4.7
167.07059	100.0
168.07397	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	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03936	1.4
65.03964	0.4
66.04729	1.1
67.05492	1.0
67.78378	0.3
69.03426	0.4
71.34512	0.7
78.04722	16.5
79.05064	0.6
79.05497	5.8
80.88058	0.4
81.03403	1.0
81.07071	1.5
91.05468	1.5
93.03382	0.8
93.07043	1.7
94.04173	0.9
95.04971	2.6
96.05762	1.4
97.06513	0.8
105.03395	1.5
105.06988	0.4
106.04184	7.7
107.04976	3.2
107.08611	1.0
107.27340	0.4
109.02889	1.5
109.06533	0.7
111.04446	0.4
120.02067	0.5
121.02885	2.0
121.06512	1.6
121.10153	1.1
122.03646	1.7
123.04442	29.5
124.05239	7.3
125.06031	0.7
134.03621	1.8
135.04431	0.7
137.02330	0.6
137.05957	1.1
137.45830	0.4
149.05977	1.1
151.03922	6.0
152.04721	4.8
167.07056	100.0
168.04216	0.6
168.07431	2.0
172.60356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02394	0.3
52.03181	0.4
53.00341	0.2
53.03951	1.2
55.01865	0.5
65.03949	0.6
66.04745	1.1
67.05515	0.9
69.03414	0.3
71.04986	0.3
77.03927	0.4
78.04719	16.5
79.05128	0.3
79.05500	6.8
80.02639	0.2
80.13168	0.2
81.03424	0.8
81.07056	1.2
83.04997	0.3
85.02918	0.3
91.05474	1.1
93.03399	0.6
93.07054	0.7
94.04210	1.3
95.04974	2.8
95.08576	0.3
96.05746	1.3
97.06546	0.3
98.21630	0.5
105.03407	1.2
105.04534	0.6
105.07058	0.3
106.04187	6.9
106.55807	0.2
107.03797	0.3
107.04974	5.2
107.08604	1.0
109.02898	1.2
109.06530	0.9
111.04438	0.4
111.08056	0.4
120.02026	0.3
121.02868	0.6
121.06521	0.3
121.10159	0.5
122.03651	2.1
123.04440	27.3
124.05238	8.6
125.05992	0.3
127.22784	0.2
131.08676	0.2
134.02756	0.2
134.03619	1.4
135.04434	0.8
136.17319	0.2
137.02377	0.6
137.05968	1.5
139.07518	0.2
145.12788	0.3
149.02382	0.5
149.09613	0.4
150.03143	0.5
151.03911	6.3
152.04700	6.2
165.05502	0.4
167.07053	100.0
168.04182	0.7
168.07376	2.4
184.39442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
53.03956	3.2
55.01864	1.4
55.05519	0.8
57.57967	0.3
64.57581	0.3
65.03926	0.5
66.04726	0.4
67.05499	1.2
68.99797	0.6
69.03423	0.9
71.00639	0.7
73.02920	0.8
77.03931	0.8
78.04272	0.4
78.04716	5.1
78.45727	0.4
79.05501	12.7
81.03397	0.5
81.07066	3.0
83.04990	0.6
91.05495	9.1
93.03437	0.4
93.07055	13.7
95.04974	4.3
95.08612	0.4
96.05777	0.5
97.02879	0.5
97.06542	0.9
103.05482	1.5
105.03367	0.5
105.04527	1.0
105.60283	0.3
106.04189	1.8
107.04957	1.8
107.08570	1.1
108.99628	0.3
109.06514	0.6
110.62636	0.3
111.04472	0.8
111.37167	0.3
119.04965	0.4
121.02884	8.1
121.06519	10.9
121.10162	1.0
122.03638	0.4
123.04439	9.1
123.08083	1.0
124.05260	3.1
134.03612	0.4
137.06013	0.4
139.03882	0.7
139.07538	1.2
149.02368	0.8
149.05986	6.7
149.07100	0.5
149.09616	0.4
151.03940	1.6
152.04733	1.7
167.07056	100.0
168.04176	0.5
168.07405	1.9
189.60924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
71.19294	0.3
73.68548	0.1
79.05490	1.4
91.05475	0.8
93.07056	2.2
95.04992	0.2
97.67745	0.2
103.05474	10.5
107.04969	2.3
110.44921	0.2
118.06467	0.2
120.08113	100.0
121.06493	0.3
121.08450	1.9
131.04938	2.2
136.55219	0.2
137.06009	0.2
149.05988	0.7
166.08627	1.3
167.07042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.35094	0.3
52.03149	0.4
53.03947	1.7
55.01870	0.5
55.05509	0.7
59.11470	0.3
64.59118	0.3
65.03938	0.8
66.04713	1.1
67.05492	1.3
68.02644	0.3
69.03426	0.6
69.07065	0.9
70.63342	0.7
70.63672	0.6
71.01351	0.3
78.04714	16.5
79.05056	0.5
79.05493	4.6
81.03410	0.8
81.07047	1.5
82.04140	0.3
83.04974	1.0
91.05466	1.8
93.03400	0.7
93.07061	1.7
94.04204	0.8
95.04973	3.6
95.08589	0.3
96.05743	1.0
96.98260	0.3
97.01711	0.3
97.06492	0.4
99.69076	0.3
100.83518	0.4
105.03365	0.8
105.04515	0.5
106.04184	6.5
107.04965	3.2
107.08574	0.9
109.02889	1.6
109.06534	1.0
110.03649	0.5
111.04421	1.0
119.04896	0.6
120.02057	0.4
121.01703	0.8
121.02862	1.8
121.06496	1.5
121.08468	0.5
121.10143	1.2
122.03650	1.5
122.06027	0.3
123.04432	28.2
124.05230	8.2
125.05984	0.5
125.09612	0.5
134.03604	1.3
135.04433	1.9
137.02361	0.5
137.05991	1.4
138.03090	0.6
139.03912	0.9
139.07544	0.8
141.83003	0.3
146.74831	0.3
149.02347	1.0
149.05942	0.6
149.09572	0.8
149.92740	0.3
150.05440	0.4
151.03900	5.8
152.04689	7.0
167.03474	1.8
167.07042	100.0
168.04179	1.0
168.07439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24996	0.4
53.03951	1.5
55.01873	0.9
55.05516	10.7
57.07082	3.7
58.85976	0.4
65.03954	2.0
65.25126	0.4
67.05511	53.3
69.03432	1.7
69.07072	9.7
69.92854	2.3
71.08638	1.4
79.05506	8.0
81.03419	0.7
81.07063	61.2
82.07420	0.9
83.04994	0.6
83.08622	4.8
85.23046	0.5
89.61978	0.4
91.05487	7.5
93.07059	6.0
95.04995	4.5
95.08616	100.0
96.08967	1.0
97.10143	0.5
98.20884	0.7
105.07053	5.3
107.05000	1.2
107.08593	6.5
109.02892	0.8
109.06531	4.4
109.10167	83.9
110.10509	1.3
117.07038	0.9
119.01968	1.7
119.04965	5.1
119.08594	5.9
120.08126	0.9
121.06519	0.5
121.10139	2.5
121.39424	0.4
122.07265	0.7
123.04458	1.1
123.08100	3.2
123.11716	16.5
133.02884	0.9
133.06522	1.3
133.07484	0.5
137.05986	3.1
137.08006	1.1
137.09619	1.8
137.13261	0.8
142.03525	0.9
147.04428	7.1
147.08044	1.5
147.11703	2.5
165.05489	2.7
165.07027	1.7
165.09116	5.8
165.12767	5.9
165.16388	9.8
165.17760	0.8
166.08685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1639
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03942	0.8
55.05513	12.4
57.07080	3.5
65.03944	1.9
67.05508	53.2
68.05843	0.6
69.03430	0.7
69.07072	9.5
71.08630	1.1
76.23473	0.4
79.05487	5.8
81.07060	52.8
83.08626	4.6
85.10213	0.7
91.05487	3.3
93.07062	4.4
94.07850	0.5
95.04983	1.3
95.08611	100.0
96.08944	1.6
97.06437	0.3
97.10183	1.0
98.20696	0.9
104.23777	0.5
105.07042	2.2
107.08612	3.2
109.06490	1.2
109.10161	82.0
110.10492	1.6
117.78471	0.3
119.01927	1.0
119.04959	2.2
119.08574	2.5
121.10159	1.1
123.04358	0.4
123.08085	1.8
123.10815	0.9
123.11716	14.1
130.46474	0.4
133.02829	0.6
133.06499	0.5
137.05951	1.3
137.09647	1.0
137.13263	0.6
140.20135	0.4
147.04422	3.4
147.08040	1.1
147.11708	0.9
156.89720	0.4
165.05569	0.7
165.07019	1.7
165.09125	2.4
165.12772	2.3
165.16397	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	165.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46440	0.8
53.03954	5.2
55.01876	5.4
55.05510	5.8
55.24828	0.8
57.03427	1.1
57.07064	1.5
59.04958	0.9
65.03934	2.8
67.05508	18.9
69.03432	8.2
69.07079	4.6
70.00045	1.9
70.00416	3.4
71.05000	1.0
72.16966	0.8
77.03923	1.6
79.05064	1.5
79.05499	25.5
79.49024	0.9
81.02985	1.2
81.03433	13.5
81.07064	21.8
83.04993	7.5
83.08611	0.9
85.87663	1.0
91.05483	28.4
93.07058	9.8
93.57034	1.0
94.04176	2.1
95.04980	14.0
95.08614	34.5
98.20776	1.6
101.00884	1.7
103.05482	13.6
104.06264	1.5
105.03396	1.3
105.07039	100.0
106.07389	1.5
107.04950	5.7
107.08589	9.9
108.04476	1.3
109.02891	6.2
109.06522	11.4
109.09453	1.9
109.10162	23.3
111.04406	1.6
115.05463	2.0
117.07025	2.9
118.04164	1.9
119.01936	7.9
119.04955	20.1
119.08587	27.2
120.08113	1.9
121.06516	5.3
121.10172	7.1
122.03656	6.1
122.07317	4.5
123.04433	2.7
123.08084	23.5
123.11731	5.8
124.05202	3.2
131.04868	1.0
132.05658	1.6
133.02869	7.5
133.06502	62.8
134.07222	3.4
135.04414	3.2
135.08055	3.0
137.03027	2.1
137.05989	71.3
137.09616	15.0
142.03503	4.9
147.04419	27.7
147.08041	11.7
147.11722	6.8
148.02145	3.0
150.06783	13.9
165.01860	2.5
165.04408	1.4
165.05481	10.6
165.06978	6.2
165.09126	86.7
165.12814	12.8
166.04858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.46440	0.8
53.03954	5.2
55.01876	5.4
55.05510	5.8
55.24828	0.8
57.03427	1.1
57.07064	1.5
59.04958	0.9
65.03934	2.8
67.05508	18.9
69.03432	8.2
69.07079	4.6
70.00045	1.9
70.00416	3.4
71.05000	1.0
72.16966	0.8
77.03923	1.6
79.05064	1.5
79.05499	25.5
79.49024	0.9
81.02985	1.2
81.03433	13.5
81.07064	21.8
83.04993	7.5
83.08611	0.9
85.87663	1.0
91.05483	28.4
93.07058	9.8
93.57034	1.0
94.04176	2.1
95.04980	14.0
95.08614	34.5
98.20776	1.6
101.00884	1.7
103.05482	13.6
104.06264	1.5
105.03396	1.3
105.07039	100.0
106.07389	1.5
107.04950	5.7
107.08589	9.9
108.04476	1.3
109.02891	6.2
109.06522	11.4
109.09453	1.9
109.10162	23.3
111.04406	1.6
115.05463	2.0
117.07025	2.9
118.04164	1.9
119.01936	7.9
119.04955	20.1
119.08587	27.2
120.08113	1.9
121.06516	5.3
121.10172	7.1
122.03656	6.1
122.07317	4.5
123.04433	2.7
123.08084	23.5
123.11731	5.8
124.05202	3.2
131.04868	1.0
132.05658	1.6
133.02869	7.5
133.06502	62.8
134.07222	3.4
135.04414	3.2
135.08055	3.0
137.03027	2.1
137.05989	71.3
137.09616	15.0
142.03503	4.9
147.04419	27.7
147.08041	11.7
147.11722	6.8
148.02145	3.0
150.06783	13.9
165.01860	2.5
165.04408	1.4
165.05481	10.6
165.06978	6.2
165.09126	86.7
165.12814	12.8
166.04858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03948	5.5
55.01867	1.5
55.05518	6.7
56.96562	1.3
57.03425	2.0
57.07079	4.2
59.04991	1.6
65.03939	1.5
67.05508	20.6
67.97473	0.6
69.03432	20.5
69.07072	9.9
71.04974	1.8
71.08609	1.0
71.56406	1.1
72.74755	0.8
79.05495	12.4
81.03419	16.4
81.07061	30.6
83.04981	5.1
83.08611	2.2
91.05486	18.8
93.07044	13.8
95.04971	15.7
95.08611	31.8
97.06515	1.6
101.00908	0.9
103.05453	2.1
104.38152	0.7
105.07033	21.3
107.04937	2.9
107.08597	15.9
109.06522	26.5
109.10160	15.3
110.07291	2.3
115.05517	0.8
117.07003	2.2
118.54990	0.7
119.01904	5.9
119.04948	6.8
119.08588	29.7
120.08147	1.2
120.08952	0.7
121.06502	2.9
121.09312	1.5
121.10152	22.7
122.07288	5.8
123.04441	1.7
123.08073	33.2
123.11709	13.9
133.02893	2.0
133.06555	1.1
135.08066	1.8
137.03069	1.0
137.05988	2.6
137.09625	66.0
137.13226	4.0
138.10020	1.5
139.82878	0.7
142.03487	3.3
142.96678	1.2
145.10181	0.9
147.04407	14.0
147.08081	3.8
147.11694	13.4
150.06729	1.3
150.10387	4.4
151.07053	0.7
160.04576	1.0
165.01843	1.5
165.05464	6.0
165.07005	6.2
165.09103	12.7
165.12758	100.0
166.08626	0.8
166.13115	2.2
170.02277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03955	2.1
55.01867	2.4
55.05513	5.2
57.03431	2.8
57.07074	2.3
65.03947	2.2
67.05514	20.1
68.68818	0.9
69.03435	7.2
69.07084	6.2
69.39638	3.1
69.40060	3.4
71.05012	2.0
71.08640	1.0
79.05499	10.7
81.03424	2.6
81.07066	26.5
83.04979	3.6
83.08617	1.0
88.06456	0.9
91.04967	1.6
91.05495	20.4
93.07051	17.3
95.04978	13.2
95.08619	24.3
97.06511	1.5
98.21473	1.3
101.00903	1.7
101.33036	0.8
103.05458	1.6
105.07041	19.9
107.04938	3.0
107.08606	17.5
109.06530	25.4
109.10174	22.2
112.41493	1.1
115.05453	1.1
117.07022	3.4
119.01917	3.6
119.04942	7.4
119.08591	35.7
121.06508	3.3
121.10149	24.3
122.07298	7.4
123.04439	2.6
123.08086	13.9
123.11709	7.3
133.02859	1.6
135.08073	1.8
137.06003	3.6
137.09628	100.0
137.13271	2.8
138.09969	2.7
142.03535	2.1
147.04422	12.2
147.08075	5.2
147.11693	15.1
150.10403	6.2
160.04617	1.1
165.01846	1.3
165.05498	6.3
165.07072	3.7
165.09138	10.1
165.12775	56.3
165.16466	1.7
166.08635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.164
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	0.6
55.05515	10.1
57.07072	2.2
59.95982	0.6
65.03935	1.4
67.05507	52.0
68.05820	0.7
69.03423	1.9
69.07072	10.1
69.43996	1.0
69.44405	2.9
71.05013	0.5
71.08636	1.3
72.64841	0.5
79.05500	7.8
80.05019	0.5
81.03414	0.9
81.07060	53.4
82.07411	0.7
83.08623	4.7
85.10191	0.7
91.05476	7.5
92.06297	0.5
93.07039	5.3
95.04978	2.5
95.08611	100.0
96.08935	1.5
97.06514	0.5
97.10165	1.0
103.05463	1.5
105.03379	0.6
105.07037	9.6
107.04973	1.0
107.08599	3.3
108.40494	0.6
109.06503	1.7
109.10162	79.6
110.10516	1.6
119.01939	1.7
119.04940	6.2
119.08570	4.4
121.06481	1.0
121.10143	2.4
122.03629	0.7
122.07305	0.8
123.04395	1.2
123.08096	2.8
123.11706	14.3
124.12088	0.5
133.02882	1.2
133.06497	4.1
137.03018	0.5
137.05984	4.8
137.09602	2.1
137.13248	0.6
142.03497	1.1
147.04407	8.8
147.08063	1.7
147.11662	1.8
150.06763	1.8
165.05496	2.4
165.06824	0.9
165.09106	7.4
165.12810	3.0
165.16408	8.9
166.08588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
50.68716	0.2
50.69058	0.2
51.02377	0.3
53.03942	1.6
55.01876	3.2
55.05513	2.4
60.95140	0.2
62.01617	0.2
65.03941	1.0
66.20013	0.2
67.05508	3.5
69.03430	0.8
69.07069	0.3
71.57660	0.2
71.58048	0.2
73.02929	0.3
75.57242	0.2
77.03937	0.6
79.05496	12.9
80.06274	0.4
81.03419	0.3
81.07065	2.1
83.04977	0.3
86.20866	0.2
90.04661	0.2
91.05485	59.9
92.05828	0.9
93.03416	0.3
93.07047	31.1
94.07397	0.5
95.04964	4.2
95.08616	2.2
101.00898	0.3
103.05470	3.0
104.06245	2.1
105.03377	0.7
105.04515	0.7
105.07032	5.7
107.04967	1.2
107.08607	1.1
109.06532	2.2
109.10166	1.7
111.04401	0.4
111.08104	0.3
115.05464	1.4
117.07024	13.9
118.07389	0.3
119.01916	0.7
119.04978	1.9
119.08585	100.0
120.08906	1.7
121.06512	0.7
121.10139	1.7
122.06020	0.2
123.04436	3.1
123.08076	1.1
128.06230	0.7
129.07002	3.8
132.05724	0.8
133.06473	0.5
134.07285	0.2
137.05952	1.1
137.09618	3.3
140.37558	0.2
142.03506	0.5
145.06506	0.3
147.04445	2.0
147.08051	30.2
147.11684	1.0
148.08395	0.8
150.06793	0.4
165.01849	0.3
165.05475	3.0
165.06976	1.8
165.09113	8.0
165.12761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0701
Annotation	Phenylheptatriyne
Peak:m/z	Relative Intensity
55.05507	0.6
65.03935	0.2
67.05489	0.7
69.03440	0.2
71.35998	0.5
79.05497	1.5
81.07039	0.7
91.05487	5.3
93.07054	2.6
95.04968	1.1
95.08606	0.9
103.05445	0.4
105.07040	2.5
107.04953	0.4
109.06539	0.6
109.10152	0.5
115.05495	0.3
117.07022	1.1
119.01917	0.9
119.04958	1.3
119.08594	8.1
121.06532	0.5
121.10137	0.6
123.04400	0.7
123.08045	0.4
133.06491	0.7
137.05984	0.8
137.09627	0.8
142.03491	0.5
142.96652	0.4
147.04437	1.3
147.08070	2.5
147.11693	0.9
150.06767	0.9
160.04587	0.3
165.07008	100.0
165.08966	3.5
165.12741	1.0
166.07370	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	165.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53764	0.3
51.47341	0.3
53.03938	0.9
55.01867	0.7
55.05500	1.2
56.67480	0.3
57.03435	0.6
57.41073	0.4
65.03923	0.6
67.05508	2.7
69.03412	0.7
69.07032	0.4
71.05038	0.3
71.50886	0.5
73.32330	0.4
75.94507	0.4
77.05685	0.3
79.05490	4.7
81.03412	0.7
81.07066	3.9
83.04976	1.2
83.40744	0.3
91.05487	13.7
92.05850	0.5
93.07047	7.0
95.04969	3.6
95.08605	2.5
100.09513	0.4
101.00884	0.8
103.05482	1.1
104.06242	0.4
105.03351	0.4
105.07032	7.9
107.04939	1.0
107.08608	3.0
109.06532	2.1
109.10157	1.2
115.05454	0.4
117.07016	2.9
119.01919	3.9
119.04962	5.0
119.08586	20.5
120.05616	0.4
121.06493	0.8
121.10146	1.5
121.35600	0.3
122.07291	0.4
123.04435	2.2
123.08080	2.1
123.11689	0.6
129.07042	0.4
133.02858	0.7
133.06494	2.0
135.04465	0.4
135.08047	0.5
137.02962	1.0
137.05960	2.7
137.09615	1.5
138.05536	0.4
141.31863	0.3
142.03494	2.3
142.96729	1.2
147.04408	8.0
147.08063	7.0
147.11691	2.7
150.06741	1.0
160.04564	0.8
165.07008	100.0
165.09006	6.9
165.12743	9.0
166.07341	2.8
169.46898	0.3
179.23097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02401	0.2
53.03952	0.5
53.52184	0.2
55.01877	0.4
55.05506	1.8
57.07077	2.0
65.03941	1.6
67.05509	9.6
67.12959	0.3
69.03436	2.2
69.07076	2.2
71.04981	0.3
71.08632	1.0
71.55455	0.4
79.05493	2.1
81.03419	0.5
81.07064	9.8
83.04977	0.2
83.08619	1.1
85.10189	0.6
91.05486	25.2
92.05812	0.5
93.07053	1.4
95.04977	1.4
95.08613	12.5
97.10188	0.3
103.05489	0.5
105.07048	1.6
107.08589	1.3
109.06517	1.5
109.10162	21.9
113.14317	0.2
117.06997	0.5
119.04949	54.6
119.08570	2.2
120.05273	0.8
121.10149	0.8
123.04448	2.7
123.08103	1.7
123.11723	6.5
137.05986	8.1
137.07054	0.4
137.09613	1.0
137.13235	0.3
140.37442	0.3
141.05493	0.3
147.04416	100.0
147.11688	0.8
148.04739	2.1
165.05492	19.4
165.06964	0.8
165.09109	1.6
165.12788	2.1
165.16400	2.3
166.05855	0.5
177.20720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03957	1.0
55.01880	0.7
55.05527	1.1
57.30930	0.3
60.46615	0.3
65.03939	2.2
67.05511	2.9
69.03445	1.1
69.07086	0.8
71.05023	0.4
71.57327	0.6
79.05507	3.4
81.03429	0.8
81.07061	4.3
81.22711	0.3
82.98314	0.3
83.05017	0.6
83.93049	0.6
86.95557	0.3
91.05489	31.2
92.05833	0.5
93.07054	2.9
94.04227	0.5
95.02618	0.3
95.04975	6.6
95.08611	3.3
97.06533	0.3
100.66740	0.3
101.00906	0.9
103.05479	0.8
104.06261	0.3
105.03440	0.4
105.07037	6.5
107.04967	0.7
107.08597	2.9
109.06522	3.4
109.10169	2.3
117.07008	0.8
119.01952	4.7
119.04952	53.4
119.08595	7.6
120.05234	0.6
120.08131	0.4
121.06521	1.2
121.10157	1.5
122.03687	0.5
122.07292	0.6
123.04450	3.6
123.08102	2.8
123.11662	0.5
124.02474	0.3
133.02866	0.9
133.06487	1.5
134.07332	0.4
135.04462	0.4
135.08031	0.6
137.03056	1.6
137.05980	3.4
137.09605	2.5
142.03505	3.5
142.96738	1.4
147.04420	100.0
147.08028	2.8
147.11700	2.9
148.04774	2.0
149.06000	0.3
150.06735	1.7
160.04541	1.0
165.01833	0.7
165.05452	3.8
165.06998	4.7
165.09113	9.3
165.10503	0.5
165.12779	6.0
166.05023	0.3
166.08630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99201	0.5
56.71627	0.4
56.96568	0.8
63.09129	0.4
69.03426	0.5
70.71771	0.9
77.39975	0.4
82.99842	3.7
90.30199	0.4
92.41746	0.4
95.04979	0.5
96.68300	0.4
100.02482	1.2
101.00893	36.1
102.00981	0.5
119.01933	100.0
120.02001	2.6
124.02467	6.6
133.03494	1.0
137.02974	21.6
142.03516	68.2
143.03679	2.3
147.04408	0.5
156.05022	0.6
160.04578	15.7
165.05219	1.0
166.08781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11362	1.3
70.11755	1.1
82.99842	3.2
100.02520	0.9
101.00892	34.1
118.03529	0.9
119.01932	100.0
120.02013	1.5
124.02458	7.6
125.02510	0.4
137.02968	22.6
138.03091	0.5
142.03511	76.8
143.03618	2.4
156.05058	1.0
160.04575	15.5
165.05077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
54.76319	0.7
55.01874	13.9
55.25570	0.7
55.25913	0.7
60.04037	0.7
60.49541	0.7
68.99849	0.7
70.25352	2.6
77.03925	1.1
78.04712	5.5
79.05502	5.5
80.05822	0.9
81.03452	0.9
81.07075	1.1
82.07423	0.9
84.92615	0.7
91.05487	14.9
93.07051	12.9
94.07369	1.2
95.04971	4.1
95.08613	1.2
96.08943	0.9
103.05476	26.8
104.06262	43.7
105.04527	1.2
105.07077	6.0
107.04956	2.7
107.08582	1.5
108.08932	3.3
119.04939	2.3
119.08593	2.3
121.06508	44.1
121.41616	0.8
121.66009	0.7
122.06829	1.0
122.10516	0.8
130.98747	0.8
131.04936	42.9
132.05746	16.9
133.06505	18.4
134.03206	1.1
135.04453	1.9
136.04745	1.6
136.07567	1.2
136.51523	0.8
137.05977	3.0
147.04395	4.2
147.08058	5.7
149.05983	100.0
150.06342	2.6
163.07524	2.9
164.04362	3.8
164.07095	2.5
164.08330	34.7
164.15245	1.7
165.05409	0.9
165.09038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89337	0.6
51.02385	1.0
52.64077	0.8
53.03954	9.0
55.01870	2.2
55.05522	6.2
57.07079	1.5
65.03960	1.1
67.05521	7.0
69.03429	1.4
69.06776	0.9
69.07080	10.5
69.42296	2.3
69.42719	3.1
71.04988	1.0
77.03941	2.7
79.05502	40.3
80.05814	0.8
81.03429	1.3
81.07066	63.6
82.07395	1.3
83.08636	5.8
89.03930	2.2
91.04910	0.8
91.04996	0.5
91.05489	20.4
92.02649	2.9
93.07053	31.7
95.04982	13.0
95.08617	18.2
103.05480	88.7
104.05791	1.9
105.03425	4.3
105.04511	3.8
105.07041	17.3
106.06554	1.0
107.04968	16.7
107.08607	89.2
108.08951	1.9
109.06553	1.9
109.10168	1.7
115.05472	3.9
117.03411	0.9
117.05740	0.9
117.07038	10.7
119.04966	1.3
119.06090	1.0
119.08595	5.3
121.06522	7.4
121.09309	1.0
121.10149	20.0
121.28397	0.6
130.06544	2.2
130.07817	3.0
131.04944	100.0
132.05267	1.7
132.08113	2.6
133.02867	19.4
133.06511	1.1
135.03407	1.2
135.04428	21.8
135.05418	1.4
135.08070	8.7
135.11717	10.1
138.03163	0.7
140.90704	0.7
145.06499	1.4
145.10133	9.3
150.10005	0.7
163.03929	72.7
163.07570	30.3
163.09821	1.2
163.11201	18.1
163.12387	1.9
163.14839	29.9
164.04289	1.3
164.15276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	2.9
55.01878	0.6
55.05517	7.5
57.07074	1.6
65.03956	0.7
67.05502	5.1
69.03442	0.7
69.07076	20.9
69.73816	1.0
69.74234	2.1
71.08635	0.7
79.05500	19.2
81.03448	0.5
81.07067	27.4
83.08621	5.8
91.05498	12.1
93.07056	34.1
94.07383	0.8
95.04984	3.1
95.08616	22.8
98.21465	1.1
100.11288	0.7
103.05478	11.0
105.03396	0.7
105.07045	8.4
107.04961	3.2
107.08606	100.0
108.08948	1.7
109.06529	2.1
109.10172	1.8
115.05470	0.9
117.07042	2.4
119.04948	0.6
119.06099	0.9
119.08614	2.6
121.02887	1.2
121.06507	1.3
121.10159	30.6
131.04950	11.1
131.05928	0.8
132.08073	0.6
133.02875	2.8
135.04456	5.2
135.08084	3.2
135.11705	13.4
136.12090	0.6
145.06503	0.8
145.10147	2.1
161.13188	0.7
163.03926	21.3
163.07582	5.2
163.11201	5.8
163.14838	49.8
164.15234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.73966	0.5
51.24845	0.4
53.03948	2.7
55.01877	2.1
55.05516	6.6
57.03443	0.6
57.07072	0.8
65.03951	1.3
67.05505	3.8
68.69241	0.5
68.99797	0.6
69.03431	1.8
69.07074	19.6
70.72861	1.0
70.73235	1.1
73.07923	0.5
77.03916	0.8
79.05501	20.3
79.05968	1.1
81.06581	1.0
81.07063	19.2
83.04993	0.7
83.08627	4.2
85.02905	1.0
89.03908	1.2
91.05488	18.5
93.07051	36.7
95.04981	4.5
95.08618	17.5
95.09238	0.6
99.04419	0.6
103.05478	11.6
105.03410	1.4
105.04517	1.5
105.07043	13.3
107.04967	7.5
107.08602	100.0
108.08919	1.1
109.06515	3.4
109.10128	1.1
115.05441	2.4
117.07042	7.3
119.04939	2.6
119.06041	0.8
119.08585	5.7
121.02871	0.6
121.06522	4.0
121.10155	33.6
122.10462	0.6
130.06570	1.1
130.07803	1.9
131.04942	11.9
132.08124	1.3
133.02866	4.2
135.04433	7.9
135.08078	9.5
135.11693	15.0
143.08606	0.5
145.02898	0.5
145.06500	1.2
145.10141	7.3
161.13463	0.5
163.03923	34.4
163.06190	0.8
163.07556	9.1
163.08797	1.0
163.11185	24.2
163.14836	37.2
164.04324	0.6
164.07092	1.6
164.15193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02390	0.4
53.03949	1.6
55.01878	0.6
55.05517	5.6
57.07081	1.0
58.50430	0.4
65.03940	0.6
67.05515	4.0
69.03441	0.9
69.07074	20.4
69.74509	2.1
76.88406	0.4
77.03947	0.5
79.05141	0.3
79.05498	16.3
81.07063	17.9
81.79602	0.4
82.33028	0.3
83.08632	5.1
85.02923	0.5
91.05489	11.2
93.07050	36.1
95.04984	2.1
95.08614	17.6
101.65662	0.4
103.04815	0.5
103.05486	6.7
105.07043	8.9
107.04984	1.6
107.08603	100.0
108.08827	1.8
109.06556	2.6
109.10165	1.0
115.05457	0.5
117.07049	1.8
119.06062	1.4
119.08593	2.9
121.06499	1.4
121.10155	31.7
123.08088	0.8
131.04955	5.0
133.02876	1.5
133.07608	0.5
133.10085	0.4
135.04407	2.6
135.08061	2.8
135.11711	15.3
136.11980	0.5
145.10141	2.9
161.13263	0.5
163.03929	7.6
163.07576	3.6
163.11205	10.4
163.14835	39.0
164.15216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.53991	0.4
53.03948	2.5
55.01879	1.0
55.05511	6.9
57.07074	1.7
62.28035	0.4
65.03949	1.4
67.05515	3.8
68.99806	0.9
69.03433	1.0
69.07072	21.3
71.04974	0.4
71.08626	0.5
77.03936	1.2
79.05502	19.8
81.03423	0.6
81.07064	20.2
83.01356	0.5
83.08627	4.1
85.02922	0.7
89.03940	1.7
91.05489	12.4
91.25014	0.4
93.07053	37.7
95.04976	3.3
95.08613	21.6
103.05475	9.2
105.04532	1.1
105.07034	10.2
107.04967	6.6
107.08602	100.0
108.08927	1.3
109.06513	1.8
109.10203	1.6
115.05473	1.3
117.03397	0.9
117.05753	0.5
117.07041	3.5
119.06078	1.1
119.08584	2.8
120.05744	0.6
121.02895	0.5
121.06553	2.2
121.10154	33.3
130.06558	0.8
130.07768	0.5
131.04015	0.8
131.04941	9.7
132.08109	0.6
133.02849	2.4
133.06537	0.6
133.10161	0.7
135.04434	6.9
135.08080	3.1
135.11702	15.9
143.08554	0.6
145.02921	1.2
145.06503	1.8
145.10118	3.5
156.13701	0.5
160.20799	0.4
161.13347	0.9
163.03929	18.0
163.06232	0.6
163.07552	9.6
163.08783	0.7
163.11182	7.9
163.14835	49.7
164.07027	0.7
164.15178	1.5
184.47488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02376	1.7
53.00312	1.0
53.03948	11.5
55.01882	4.6
55.05306	0.6
55.05513	6.8
65.03935	1.7
67.05503	8.2
69.03426	2.1
69.06720	1.0
69.07069	13.8
71.57141	0.8
77.03926	2.4
79.05498	38.2
80.94277	0.7
81.03403	2.3
81.07062	39.7
82.07371	0.8
83.04950	1.0
83.08624	4.9
91.05486	23.2
92.02626	3.7
92.05796	1.1
93.07051	40.0
94.07355	0.8
95.04974	17.9
95.08613	21.6
103.05472	29.0
104.06252	3.0
105.03402	8.4
105.04505	5.4
105.07041	17.9
106.06566	1.1
106.07340	1.0
107.04968	21.6
107.08598	76.3
108.08912	1.1
109.06538	2.1
109.10158	1.4
114.50786	0.7
115.05447	5.2
117.05769	1.7
117.07027	10.5
118.06567	0.7
119.04966	1.9
119.06026	0.8
119.08584	6.8
120.02100	0.7
120.05756	0.8
121.06521	12.4
121.10147	26.2
121.11034	1.3
130.06590	3.0
130.07777	2.6
131.04935	27.0
132.05678	2.6
132.08073	3.9
133.02863	29.0
133.06517	3.1
133.10167	0.8
135.04422	29.2
135.08049	13.1
135.11693	12.2
138.03098	1.3
143.08600	0.9
145.06500	2.2
145.10127	7.9
147.08101	1.1
148.05185	1.5
149.05968	6.2
163.03918	100.0
163.07553	20.1
163.11186	34.6
163.12315	2.4
163.14842	33.6
164.04280	3.0
164.07063	1.4
164.08313	3.7
164.10600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01601	0.6
51.00033	0.4
51.02383	1.6
53.03951	7.8
55.01873	3.8
55.05513	7.4
57.03440	0.8
57.07074	0.9
65.03944	2.1
67.05511	10.2
69.03452	2.8
69.07072	14.0
71.04997	0.9
71.57028	0.8
71.75193	0.5
76.36567	0.4
77.03918	3.7
79.05497	39.6
80.05817	0.9
81.03431	1.7
81.07060	43.4
82.07401	1.2
83.04978	0.7
83.08620	6.6
85.02907	0.6
89.03904	1.0
91.05487	25.0
92.02633	4.5
92.05800	0.9
93.07048	46.8
94.07375	0.6
95.04972	15.7
95.08614	23.5
100.02487	0.5
103.05475	53.8
104.05773	1.2
105.03410	4.7
105.04517	3.9
105.07036	13.9
106.06590	1.0
106.07332	1.0
107.04285	1.0
107.04967	13.6
107.08598	91.0
108.08931	2.0
109.06516	2.8
109.10150	1.3
115.05450	5.3
117.03375	0.8
117.05775	0.7
117.07022	16.5
119.04951	1.4
119.06116	1.0
119.08594	6.6
120.08110	0.7
121.06515	7.4
121.09325	1.0
121.10146	23.3
123.08066	0.7
130.06557	2.5
130.07797	3.3
131.04933	57.3
132.05247	0.8
132.08080	3.0
133.02861	26.7
133.06490	1.0
133.10129	1.6
135.04424	28.9
135.08061	9.7
135.11693	15.5
136.04774	1.0
138.03116	1.0
143.08566	1.1
145.02855	0.7
145.03964	0.7
145.06500	3.2
145.10126	12.6
148.05148	1.8
149.02328	1.0
150.77940	0.5
163.03914	100.0
163.07549	26.3
163.11182	24.9
163.12335	1.7
163.14842	38.8
164.04320	3.2
164.06967	1.0
164.11578	0.8
164.15251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	8.7
55.01867	2.8
55.05510	7.6
57.07069	1.8
65.03940	2.4
67.05505	5.2
68.99774	1.2
69.03411	3.3
69.03771	0.7
69.06718	1.4
69.07071	19.8
69.52855	4.9
69.73251	0.8
71.08622	0.9
77.03912	2.3
79.05495	29.6
81.03419	1.4
81.07063	23.3
82.19030	0.7
83.08632	5.3
85.02891	1.7
89.03915	2.3
89.15819	0.8
91.05482	24.8
92.02612	2.8
93.07047	42.8
95.04978	11.6
95.08049	1.4
95.08614	19.5
103.05473	26.9
105.03415	4.4
105.04531	3.9
105.07027	21.2
107.04292	1.2
107.04961	17.4
107.08598	100.0
108.08919	1.8
109.06508	1.8
109.10196	1.5
115.05459	4.8
117.03396	1.1
117.05745	1.1
117.07020	12.0
117.85183	0.8
119.04955	3.1
119.08553	7.3
120.05727	1.6
121.02912	1.5
121.06518	8.1
121.10145	34.7
123.08038	1.2
123.13133	0.9
124.22083	0.9
125.97007	0.8
130.06548	2.5
130.07790	3.3
131.04930	19.6
132.08080	2.5
133.02855	15.7
133.06564	1.0
133.10107	1.5
135.03397	1.2
135.04422	23.8
135.08046	15.6
135.08995	1.5
135.11700	18.5
136.07539	1.0
145.02840	1.8
145.06479	3.7
145.07492	0.8
145.10115	10.6
148.05174	1.6
163.03914	93.0
163.07529	21.7
163.11182	30.4
163.14830	44.7
164.04230	2.1
164.07033	1.9
164.15109	1.4
178.25235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02377	0.8
53.03946	2.6
53.98909	0.5
55.01883	2.9
55.05518	5.6
57.03436	0.6
57.07063	1.6
65.03952	1.0
67.03754	0.6
67.05505	3.4
68.65687	0.4
69.03439	7.3
69.06724	0.8
69.07075	12.2
69.50742	1.1
69.51155	2.7
71.04996	0.9
77.03939	1.0
79.05500	16.1
81.03391	0.6
81.07066	8.5
83.04976	2.0
83.08614	3.9
83.09035	0.5
85.02913	1.2
89.03922	0.9
91.05489	14.0
92.06275	0.6
93.03451	0.7
93.07051	31.3
95.04981	5.0
95.08607	9.1
103.05476	16.8
105.03410	1.1
105.04514	1.0
105.07043	16.8
107.04964	14.4
107.08602	57.3
108.09446	0.6
109.06506	2.4
109.10215	1.0
115.05436	2.8
117.07029	10.2
119.06057	0.7
119.08589	9.2
120.05746	0.8
121.06528	6.2
121.10153	35.8
123.08054	0.9
125.28548	0.5
125.66100	0.5
128.06255	1.0
129.06999	0.9
130.06526	1.0
130.07785	4.7
131.04938	13.7
132.08035	0.5
133.02873	4.8
133.06488	1.4
133.10168	1.1
134.06065	0.7
135.04436	8.4
135.08070	6.0
135.10686	0.9
135.11707	18.0
136.07558	0.8
143.08571	1.1
145.06503	3.2
145.10136	31.5
146.10483	0.6
148.04755	0.7
148.08789	1.2
163.03925	23.1
163.07567	11.8
163.11195	100.0
163.14828	19.3
164.07022	1.3
164.11501	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	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01588	0.9
51.02369	1.3
53.03952	9.3
53.81789	0.6
55.01862	2.4
55.05514	9.2
56.96566	0.9
57.07061	1.2
63.02343	0.6
65.03925	1.7
67.05505	7.6
68.99809	0.7
69.03419	2.4
69.06723	1.3
69.07072	17.1
69.29550	6.2
69.29955	1.5
77.03924	3.2
79.05498	42.6
81.03425	1.7
81.07062	32.3
83.08627	5.6
89.03900	1.1
91.05486	22.8
92.02639	4.0
93.07050	45.3
95.04971	15.9
95.08610	25.2
98.20725	1.4
102.95562	0.7
103.05473	72.3
104.05785	1.8
105.03410	5.8
105.04499	4.6
105.07043	15.4
106.06549	1.5
107.04302	1.3
107.04971	15.0
107.08600	87.0
108.08904	1.3
109.06513	3.1
109.10146	2.1
115.05475	6.1
117.03355	1.0
117.05753	1.3
117.07024	20.0
119.04935	2.0
119.06036	1.4
119.08585	8.0
120.02132	0.9
120.08134	0.7
121.06519	10.0
121.10152	28.1
123.08081	0.9
130.06520	3.1
130.07823	1.6
131.04933	80.1
132.05260	1.4
132.08069	2.8
133.02859	25.4
133.06526	1.0
133.10106	1.0
135.04427	31.5
135.08069	9.7
135.11699	13.5
145.02856	0.9
145.06473	3.4
145.10139	9.2
148.05145	1.6
163.03917	100.0
163.07555	34.8
163.11186	23.9
163.12387	3.3
163.14833	39.8
164.04205	3.3
164.07048	0.9
164.15141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02370	0.9
53.03954	5.6
55.01876	1.4
55.05518	9.0
57.07078	2.4
57.22427	0.7
65.03945	1.1
65.41617	0.7
66.35582	0.6
67.05514	7.2
69.07075	16.6
70.37822	1.3
70.38214	1.7
77.03951	0.9
79.05501	28.4
79.05970	1.4
81.07064	43.6
83.08615	6.6
91.05486	14.7
92.02623	1.9
93.07050	44.7
94.07408	0.9
95.04971	5.7
95.08617	25.8
95.09224	1.3
97.10169	0.6
103.05460	4.3
105.03414	2.9
105.04530	2.5
105.07033	9.7
107.04987	3.9
107.08605	100.0
108.08898	1.2
109.06531	1.5
109.10159	2.1
115.05473	2.1
117.07012	7.2
118.78129	0.7
119.08598	4.1
119.32983	0.8
121.06521	1.8
121.09341	1.0
121.10148	28.8
122.10477	1.1
130.06561	1.7
131.04994	4.7
132.08099	1.7
133.02875	10.5
133.10092	0.9
135.04425	10.8
135.08060	2.5
135.10710	0.9
135.11711	13.0
145.06523	1.6
145.10153	2.2
163.03926	33.9
163.07538	5.9
163.11165	6.2
163.12512	1.2
163.14839	51.2
164.15195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	0.5
53.00998	0.4
53.03951	4.6
53.97217	0.4
55.01874	0.7
55.05510	4.6
57.03456	0.7
57.07082	0.8
64.59014	0.4
65.03942	0.8
67.05508	7.3
69.03430	0.7
69.06709	0.8
69.07070	7.9
70.72575	1.4
77.03931	1.0
79.05499	37.4
80.05851	0.7
81.07063	54.7
83.08617	3.7
89.03923	1.3
91.05489	13.6
92.02630	1.1
93.07050	32.7
95.04971	6.2
95.08614	15.8
103.05481	13.9
103.06148	0.9
105.03413	1.2
105.04509	1.4
105.07041	8.8
106.06616	0.5
107.04953	4.3
107.08601	100.0
108.08945	1.9
109.06522	1.8
109.10190	0.8
115.05479	1.2
117.03370	0.9
117.07027	5.1
119.04906	0.6
119.06133	0.8
119.08594	2.4
120.08947	0.5
121.06518	2.4
121.10155	13.2
122.10471	0.7
130.06572	1.1
130.07793	2.2
131.04939	14.0
132.08113	1.0
133.02870	7.2
133.10156	1.8
133.41449	0.5
135.04434	8.3
135.08069	2.3
135.11705	18.4
143.08571	0.9
145.02917	0.6
145.06502	0.5
145.10139	6.5
148.51257	0.5
163.03912	29.8
163.07545	6.5
163.11183	10.3
163.12569	1.0
163.14838	23.6
164.04333	0.9
164.15178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02380	1.9
53.00290	1.1
53.03740	1.0
53.03955	10.8
55.01861	3.8
55.05508	2.6
56.58677	0.7
56.96566	12.1
57.03442	0.9
58.64327	0.9
60.24333	0.7
65.03937	2.6
67.05521	4.0
69.03424	2.7
69.07068	4.2
69.08239	0.8
69.91653	3.7
69.91994	1.3
75.05976	0.8
77.03931	3.7
79.05499	32.0
81.03402	2.7
81.07061	16.5
90.49200	0.7
90.94807	0.9
91.05489	50.7
92.02615	3.7
92.06284	0.9
93.07055	18.4
95.04971	16.3
95.08617	8.7
98.20818	1.2
103.05476	49.9
104.05761	1.0
105.03436	5.2
105.04527	4.4
105.07036	15.9
107.04961	47.2
107.08601	51.6
108.05254	1.0
109.06515	2.3
115.05466	26.9
116.06262	1.1
117.07027	69.5
118.07327	1.0
119.04939	2.1
119.06075	0.8
119.08597	16.4
120.05704	2.1
120.08875	1.0
121.06516	11.6
121.10143	8.2
130.06535	2.0
130.07790	1.5
131.04938	54.3
131.08522	0.9
132.08084	3.3
133.02861	22.4
133.06480	1.8
135.04433	31.1
135.08066	20.3
135.11703	5.1
140.06693	0.9
145.06493	26.8
145.07639	1.7
145.10136	8.7
148.05228	1.6
163.03918	100.0
163.07555	46.3
163.11172	22.2
163.12309	1.8
163.14845	9.1
164.04306	3.3
169.76457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.99517	0.4
51.02384	1.0
51.44273	0.4
53.03949	3.0
55.01858	1.7
55.05502	1.6
56.61832	0.4
57.03430	1.3
57.07073	0.8
65.03934	0.4
66.99586	0.4
67.05495	1.7
67.05821	0.4
69.03433	1.0
69.07068	3.8
71.04984	0.4
71.57816	0.6
73.75573	0.4
77.03934	1.5
79.05502	10.5
81.03412	0.5
81.07062	6.1
83.08624	2.1
84.06068	0.4
86.32867	0.4
89.03918	1.5
91.05482	12.6
92.02641	0.8
92.06271	1.4
93.07047	10.3
95.04980	4.8
95.08609	4.0
102.04653	0.6
103.05472	100.0
104.05802	1.5
105.03416	0.8
105.04504	1.1
105.07032	10.5
107.04957	5.7
107.08597	20.0
109.06505	1.0
115.05458	1.9
117.03397	0.7
117.07022	3.6
119.04932	1.9
119.08585	1.7
120.05743	4.4
121.02878	0.5
121.06545	3.1
121.10147	10.6
130.07822	0.6
131.04933	76.0
132.05305	1.3
133.02850	3.5
133.06494	0.7
133.10103	0.4
134.07278	0.6
135.04442	6.4
135.08055	47.1
135.11687	6.2
136.08421	1.0
136.65849	0.4
145.02858	0.8
145.06503	1.1
145.10133	3.3
147.73094	0.4
148.05234	0.6
163.02531	0.9
163.03923	22.3
163.07545	49.7
163.11174	10.6
163.14830	7.1
164.04303	0.6
164.07921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03959	2.3
53.04170	0.4
55.01883	0.7
55.05503	0.5
56.81668	0.3
63.02367	0.6
65.03951	0.6
68.99792	0.7
69.03427	0.6
70.81167	1.0
77.03922	1.1
79.05495	5.9
81.03442	0.7
81.07059	0.5
83.08631	0.4
85.02930	0.6
89.03912	2.7
91.05488	8.3
92.02633	0.5
93.07051	2.8
95.04979	3.6
95.08617	1.6
98.21429	0.4
102.04684	0.4
103.05475	78.8
104.05818	1.4
105.03410	0.7
105.04506	0.8
105.07043	2.0
106.06619	0.5
107.04963	19.5
107.08614	3.6
108.05288	0.4
115.05466	0.6
117.03345	1.7
117.05723	0.5
117.07032	2.2
119.04965	7.7
119.08594	0.8
120.05721	0.4
121.00719	0.4
121.02863	0.5
121.06528	2.6
121.10162	1.8
130.06535	1.0
130.92906	0.3
131.04938	100.0
132.05255	1.8
132.08131	1.1
133.02895	2.8
133.10078	0.4
135.04428	14.8
135.08049	2.7
135.11729	0.9
136.07533	0.4
145.02835	1.0
145.03966	0.4
145.06418	0.6
145.10132	0.9
163.03920	52.4
163.06076	2.6
163.07547	42.7
163.11224	2.6
163.12354	0.8
163.14806	0.7
164.04274	1.1
164.06918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
53.03954	1.8
55.01876	1.6
55.05531	0.8
65.03940	1.6
67.05508	1.3
68.47759	0.4
69.03429	0.5
69.07087	1.5
77.03966	0.6
79.05504	14.2
81.07064	4.7
91.05491	74.4
92.05824	1.8
93.07054	10.8
95.04987	2.5
95.08610	2.9
98.21534	0.7
100.86040	0.4
103.05475	4.9
104.06260	1.7
105.03443	0.7
105.04559	1.0
105.07036	7.2
106.06664	0.5
106.07386	1.4
107.04967	3.5
107.07881	0.6
107.08605	19.4
109.06529	1.5
115.05468	31.6
116.06235	1.4
117.07030	100.0
118.07269	2.6
119.04964	0.5
119.08594	25.5
120.08936	1.3
121.06512	3.7
121.09306	0.9
121.10164	4.0
130.06558	0.6
130.07793	0.5
131.04953	2.0
132.08092	0.9
133.02890	2.4
133.06555	0.6
135.04416	4.6
135.08072	13.8
135.10825	0.5
135.11722	2.0
145.06502	29.0
145.10149	2.6
148.08789	0.7
160.30647	0.5
163.03934	8.5
163.07562	37.4
163.11189	6.2
163.12552	0.8
163.15004	3.4
164.04221	0.5
164.07965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Cleviolide
Peak:m/z	Relative Intensity
51.02374	2.4
53.03957	13.0
55.01870	5.7
55.05507	6.4
57.03437	1.7
65.03930	2.8
67.05517	6.6
69.03413	1.4
69.07073	10.6
70.68887	1.2
70.69218	3.0
71.95837	1.2
77.03915	2.7
79.05497	56.0
81.03428	2.6
81.07059	28.1
83.08617	4.8
91.04967	2.2
91.05489	32.0
92.02629	2.6
92.06310	3.0
93.06481	1.8
93.07052	30.4
94.04167	1.4
95.04978	23.0
95.08607	16.5
103.05476	100.0
105.03405	6.4
105.04478	6.1
105.07037	60.7
105.07761	1.6
107.04966	46.7
107.05710	2.5
107.08600	61.4
108.08925	1.7
109.06505	2.4
115.05447	13.8
116.86874	1.3
117.05798	1.5
117.07014	9.9
119.04964	2.0
119.08602	4.7
120.05731	15.4
121.05881	1.1
121.06525	10.6
121.10164	18.5
130.06505	3.0
131.04939	28.7
132.05714	2.7
132.08109	3.0
133.02856	22.4
133.06480	3.0
135.04436	23.5
135.08058	58.9
135.11691	8.1
136.08475	1.6
145.06503	4.3
145.10130	6.5
148.05199	5.1
163.03918	80.1
163.07550	47.9
163.11172	19.2
163.12415	1.3
163.14841	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.02388	0.3
53.03939	1.3
53.22307	0.3
55.01866	0.4
65.03940	1.0
67.05511	0.4
68.29106	0.3
68.99788	0.6
69.07068	0.6
69.26311	0.8
69.26731	2.0
77.03947	0.4
79.05495	3.4
81.07058	1.0
85.02926	0.3
89.03934	1.7
91.05487	17.7
93.07040	1.6
95.04976	1.4
95.08593	0.9
103.05494	1.9
105.07050	0.7
107.04962	37.7
107.08591	2.9
108.05310	0.6
109.17497	0.3
117.03393	1.1
117.06995	0.4
119.04951	18.4
121.02887	0.5
121.06465	0.6
121.10153	1.1
125.04063	0.3
130.06480	0.3
131.04922	2.7
133.02823	0.5
135.04417	8.0
135.08058	0.9
135.11703	0.4
145.02866	0.7
145.06491	0.3
145.10109	0.4
163.03914	100.0
163.07538	2.3
163.11122	0.9
163.14816	1.3
164.04237	2.2
177.02287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.03947	1.2
55.01865	0.6
55.05505	0.9
57.03422	0.3
65.03947	1.3
66.52574	0.2
67.05512	0.9
68.99802	0.7
69.03424	0.5
69.07077	2.4
69.46732	2.1
70.79207	0.3
77.03922	0.4
79.05500	5.2
81.07069	3.4
83.08627	0.7
85.27014	0.3
89.03905	0.4
91.05489	19.1
92.05796	0.3
93.07051	6.1
95.04980	2.1
95.08628	2.1
103.05476	4.2
105.03391	0.3
105.07032	2.1
107.04962	37.8
107.08603	11.9
108.05301	0.7
109.06496	0.4
110.90952	0.3
115.05417	0.3
117.06997	1.8
119.04949	19.2
119.08585	0.9
120.05328	0.3
121.06506	1.0
121.10167	4.0
125.83237	0.3
128.01231	0.3
128.89035	0.3
130.06520	0.5
130.07816	0.4
131.04935	4.4
132.08116	0.6
133.02834	1.3
135.04422	4.7
135.08040	1.6
135.11693	2.6
136.07547	0.4
137.01767	0.3
145.06490	0.6
145.10106	1.6
163.03914	100.0
163.07506	3.3
163.11205	2.9
163.12451	0.4
163.14833	3.7
164.04239	2.1
164.07024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03946	1.7
55.05513	4.4
56.40516	0.7
61.28019	0.7
67.05514	2.9
69.07071	5.1
70.06637	0.7
70.72807	2.2
79.05508	6.5
79.50085	0.6
81.07068	13.8
83.59778	0.7
91.05487	19.0
93.07053	8.3
95.08627	2.2
97.08474	2.5
103.05482	3.7
105.07042	99.0
106.07387	1.9
107.08631	2.1
113.97286	0.7
115.05476	2.1
115.09518	4.5
117.07031	5.1
119.08591	100.0
120.08918	1.2
121.10130	1.1
128.06302	1.0
131.08586	2.6
133.06497	1.8
133.10144	26.1
143.08821	1.1
146.07236	0.9
146.10915	2.0
159.11736	1.6
161.06013	2.5
161.09694	5.4
161.13271	56.5
162.13684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32336	0.4
53.03940	1.3
55.05515	5.0
63.31470	0.4
64.76830	0.5
65.03934	0.7
67.05512	16.1
69.07075	5.2
70.34889	1.3
79.05502	11.4
81.07065	30.9
82.07368	0.5
83.08638	0.8
91.05489	25.0
92.60449	0.5
93.07054	12.9
95.04984	1.4
95.08617	10.0
98.20860	0.7
103.05457	2.7
105.07040	100.0
106.07390	1.8
107.08601	3.8
110.64874	0.5
115.05494	0.9
117.07050	3.4
119.08593	47.8
120.08831	0.6
131.08537	2.5
132.09406	1.0
133.06528	1.2
133.10146	28.4
145.10141	0.8
146.10931	1.2
159.11739	2.1
161.05981	1.0
161.09651	3.2
161.13277	57.3
162.13672	1.3
169.17461	0.5
177.44940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03960	1.4
55.05515	5.2
55.78059	0.6
56.71323	0.6
57.08128	0.6
57.21598	0.6
67.05511	16.2
69.07071	4.1
69.16663	0.7
76.90889	0.6
79.05505	10.3
81.07065	29.3
81.35431	0.6
91.05489	26.4
93.07057	12.4
95.04970	1.0
95.08617	11.4
103.05466	1.6
105.07043	100.0
106.07362	1.6
107.08624	3.3
117.07066	3.3
119.08594	48.2
120.89375	0.6
131.08574	1.9
132.09384	1.2
132.62617	0.6
133.06490	0.9
133.10144	27.7
159.11713	1.9
161.13275	56.5
162.13654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03946	1.1
55.05513	7.7
55.39529	0.5
67.05511	2.6
69.07070	13.2
71.46989	0.7
79.05501	4.0
81.07059	5.4
83.08619	0.6
86.85464	0.5
91.05488	11.1
93.07040	4.7
95.04958	0.7
95.08617	0.6
97.08438	1.2
103.05474	2.2
104.06303	0.5
105.07037	57.6
106.07384	1.2
107.08594	2.1
115.05431	0.7
115.09502	1.9
117.07001	4.0
119.08588	100.0
120.08871	1.2
121.10134	1.4
129.06952	0.8
131.08543	6.2
132.09296	0.9
133.06456	1.3
133.10141	34.2
143.08839	0.8
145.10121	1.3
146.10927	3.1
159.11697	3.6
161.06021	1.4
161.09663	3.2
161.13264	72.8
162.13617	1.9
175.46408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.90163	0.6
53.03948	1.5
55.05517	5.3
62.03509	0.7
66.05227	0.6
67.05506	4.8
69.07072	6.0
71.44428	1.4
79.05499	10.8
81.07065	33.2
81.38595	0.6
84.32610	0.6
91.05489	16.7
92.56351	0.5
93.07059	13.9
95.04984	0.9
95.08628	3.6
97.08499	1.3
103.05473	4.4
105.07042	100.0
106.07357	1.2
107.04986	0.9
107.08586	3.1
115.05447	4.4
115.09534	3.2
117.07015	5.7
118.04166	2.0
119.08595	69.5
120.08920	0.7
121.10136	1.0
128.06264	1.4
129.07077	0.6
131.04926	0.8
131.08577	5.0
131.39497	0.6
132.09261	0.9
133.06505	6.8
133.10149	29.5
143.06134	0.9
143.08871	0.9
145.10107	0.9
146.03618	2.6
146.07272	2.5
146.10921	2.0
159.11713	2.6
161.06033	3.0
161.09625	9.2
161.13275	68.8
162.13643	2.3
183.18394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	0.7
53.30303	0.5
55.05512	3.4
62.53117	0.5
67.05524	3.7
69.07076	4.3
69.90656	1.8
69.91070	1.0
74.01314	0.5
77.03901	0.4
77.19438	0.5
79.05498	6.1
81.06577	1.1
81.07064	19.8
83.08603	0.5
85.37300	0.4
91.05487	12.7
93.07050	8.1
95.04969	1.1
95.08611	2.4
99.97733	0.5
103.05448	2.4
105.07039	100.0
106.07352	1.6
107.08603	1.5
115.05438	0.8
115.09495	2.4
117.07030	3.3
119.08591	39.9
131.08563	3.1
132.09370	1.2
133.06412	0.9
133.10139	20.8
143.08841	1.1
146.07239	0.7
146.10892	1.3
159.11736	2.1
161.05969	1.5
161.09683	4.1
161.13271	49.3
162.13625	1.6
172.09511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.30303	0.5
55.05512	3.4
62.53117	0.5
67.05524	3.7
69.07076	4.3
69.90656	1.8
69.91070	1.0
74.01314	0.5
77.03901	0.4
77.19438	0.5
79.05498	6.1
81.06577	1.1
81.07064	19.8
83.08603	0.5
85.37300	0.4
91.05487	12.7
93.07050	8.1
95.04969	1.1
95.08611	2.4
99.97733	0.5
103.05448	2.4
105.07039	100.0
106.07352	1.6
107.08603	1.5
115.05438	0.8
115.09495	2.4
117.07030	3.3
119.08591	39.9
131.08563	3.1
132.09370	1.2
133.06412	0.9
133.10139	20.8
143.08841	1.1
146.07239	0.7
146.10892	1.3
159.11736	2.1
161.05969	1.5
161.09683	4.1
161.13271	49.3
162.13625	1.6
172.09511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05520	6.7
65.03957	0.7
67.05517	12.3
69.07076	4.4
70.41528	0.6
70.68276	2.0
77.03905	0.8
79.05067	0.9
79.05497	10.4
80.38226	0.7
81.07064	27.8
91.05489	29.4
93.07053	12.7
95.04976	1.4
95.08614	8.0
97.08495	0.8
99.51649	0.7
102.23532	0.6
103.05483	3.0
105.07039	100.0
106.07372	1.5
107.05003	0.7
107.08597	3.3
115.05461	3.3
115.09496	1.4
117.07024	4.2
118.04146	1.0
119.08590	46.7
120.08873	1.3
121.06487	0.8
128.06218	0.7
131.05022	1.0
131.08531	3.0
132.09302	0.9
133.06493	3.3
133.10139	27.5
143.08530	0.8
145.10153	0.7
146.07306	1.1
146.10887	1.6
159.11748	1.7
161.05963	1.5
161.09651	4.7
161.13274	58.9
162.13631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.4
55.01857	0.5
55.05514	6.0
66.85018	0.4
67.05511	6.7
69.07076	7.5
70.25127	0.4
71.14059	0.8
71.14409	0.5
73.46655	0.4
77.03909	0.6
79.05500	9.2
81.07063	52.0
82.07395	0.9
83.08648	0.6
90.04690	0.4
91.05488	18.5
93.07053	15.8
93.07536	0.3
95.04977	1.3
95.08614	5.0
103.05481	3.8
105.07038	100.0
106.07376	1.4
107.08595	3.9
115.05466	2.0
115.09512	1.4
117.07010	5.5
118.04155	1.1
119.08590	59.1
120.08894	0.7
121.10162	0.6
129.55365	0.4
131.08562	5.1
132.09352	1.8
133.06503	2.9
133.10141	29.6
134.10455	0.5
143.08716	0.5
144.09340	0.6
145.10121	0.8
146.07292	0.6
146.10912	2.4
159.11719	3.0
161.05959	1.5
161.09741	2.9
161.13269	82.6
162.13629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03944	1.3
55.05517	5.1
65.03954	1.2
67.05508	23.8
69.07071	7.1
70.06599	1.0
70.36077	1.0
75.51471	0.4
79.05491	12.3
81.07060	43.3
83.08631	1.2
91.05485	31.1
93.07048	17.3
93.07637	1.1
95.04992	1.4
95.08613	14.9
97.08464	2.2
103.05485	2.3
105.07036	100.0
106.07388	1.2
107.08586	4.6
114.09179	0.8
115.05461	2.1
115.09514	4.1
117.07027	6.0
118.04197	0.6
119.08586	60.6
120.08862	0.5
128.06218	1.5
131.08553	3.7
132.09352	1.7
133.06490	2.2
133.10138	36.6
134.10468	0.8
143.08740	1.2
146.07298	1.0
146.10904	1.7
147.04449	0.6
159.11707	1.7
161.05989	3.9
161.09654	9.0
161.13264	70.4
162.13623	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
54.93659	0.7
55.05511	5.3
65.03939	0.7
67.05508	17.4
69.07072	7.0
71.35793	0.8
73.49470	0.6
79.05500	13.8
81.07061	37.2
83.08618	0.6
87.84680	0.6
91.05485	25.2
93.07044	12.3
95.04974	1.6
95.08620	9.8
97.08472	2.0
103.05477	4.0
105.07036	100.0
106.07343	2.0
107.04987	1.0
107.08615	4.5
115.05457	5.1
115.08849	0.8
115.09526	4.9
117.07012	4.7
117.22991	0.7
118.04173	4.1
119.08588	65.6
120.08945	1.1
121.10130	1.0
128.06181	0.9
131.04953	1.0
131.08600	4.1
132.09409	1.2
133.06519	5.1
133.10135	30.3
134.10445	0.8
143.08958	1.4
145.10089	1.2
146.03629	12.2
146.07227	0.8
146.10880	2.6
159.11726	2.7
161.06000	7.5
161.09671	9.1
161.13268	65.2
162.13606	1.9
174.96587	0.7
176.02824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82348	0.2
56.88998	0.2
71.56551	0.4
74.23975	0.2
82.99834	1.8
98.97583	0.2
101.00887	25.0
102.00952	1.0
115.02460	0.2
118.03580	0.2
119.01927	100.0
120.02001	4.0
121.01634	0.3
121.02405	0.3
133.03485	0.6
137.02962	26.7
138.03020	0.9
142.03510	1.7
143.01935	0.2
143.03700	1.3
145.48917	0.2
160.04549	0.3
161.02959	3.7
161.04312	0.5
162.04311	0.2
179.04025	5.0
179.05591	0.3
180.04196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12716	0.3
53.03946	0.8
55.01862	1.3
55.05507	1.3
56.55566	0.3
56.96289	0.6
56.96571	9.9
57.03440	3.3
58.99583	0.4
59.04998	0.8
59.93109	0.4
60.05322	0.5
60.95827	0.4
61.02934	2.8
61.92833	0.4
65.03947	0.5
67.05503	0.9
68.99812	0.3
69.03434	3.9
69.07087	0.8
70.03770	0.4
70.06590	1.9
70.98127	0.5
71.01349	2.0
71.04993	1.1
71.06934	1.4
71.55116	0.4
71.95271	0.6
72.08170	1.8
73.02927	4.2
74.97603	0.4
75.04494	2.5
77.00855	0.6
79.05491	1.9
80.00286	0.3
80.05829	0.4
81.03420	2.0
81.07056	0.8
82.99852	1.0
83.00777	0.8
83.01353	0.5
83.05004	0.6
84.01564	0.5
84.08160	0.6
84.96025	0.7
85.02913	4.9
87.04473	0.9
89.00813	0.8
89.02498	0.4
90.01571	0.5
91.00507	0.5
91.05487	1.4
92.01298	0.5
93.07067	0.5
94.01830	0.4
95.00769	1.0
95.06879	0.8
95.08633	0.4
96.01554	0.7
96.08154	1.0
97.02316	0.5
97.02900	6.3
97.06538	0.4
97.07860	0.4
97.08455	5.7
98.01305	1.2
98.03191	1.4
98.97594	11.6
99.04445	0.7
99.30777	0.3
100.02575	0.4
100.97162	0.4
100.98055	0.4
101.00887	19.6
101.02361	0.8
101.06041	0.4
101.95043	2.0
102.00967	0.9
102.01584	0.7
102.06365	1.1
102.96866	0.4
103.02442	1.0
103.03964	0.6
103.05444	0.9
104.01291	1.5
105.02119	0.4
105.07042	6.3
106.06583	0.5
107.00749	0.5
107.39259	0.4
108.01572	0.9
109.00517	0.6
109.02906	0.8
110.01328	2.5
110.97570	2.4
111.02115	0.4
112.01031	0.4
113.00922	0.5
113.01739	0.6
113.02450	0.4
114.09173	3.5
115.00665	0.5
115.02414	0.4
115.03979	0.6
115.05462	1.6
115.08929	0.8
115.09518	17.9
116.01302	0.8
116.05051	0.5
116.05762	2.1
116.98636	5.2
117.02048	1.1
117.03941	0.5
118.01030	1.3
118.04225	0.9
118.06120	0.4
119.01929	100.0
119.08577	3.3
119.51969	0.5
119.96027	0.8
120.01984	3.8
120.08111	0.5
121.01682	0.9
121.03492	0.3
122.01259	1.3
124.02503	0.4
125.01738	1.9
126.02613	0.6
126.97097	0.3
127.01550	1.2
128.02310	1.2
128.98640	2.5
129.03967	0.7
131.00247	0.5
131.01843	2.8
131.52005	0.4
133.01709	0.8
133.03453	2.0
133.05272	0.7
133.06496	2.1
133.08488	2.1
133.10138	2.5
134.02342	1.4
134.06017	0.8
134.99698	2.0
137.02966	36.2
138.03104	1.1
140.02336	3.2
140.52512	0.5
142.03516	2.2
143.01915	3.8
143.03613	1.5
143.09021	4.0
144.04456	0.4
144.98129	0.4
145.01730	1.0
146.02063	0.4
146.07240	0.9
146.99673	1.6
147.05034	2.4
147.81062	0.3
149.02869	4.7
151.04536	0.5
158.03358	2.1
158.99673	2.9
159.03262	0.8
160.04582	0.7
160.56773	0.5
161.02980	8.6
161.04549	2.3
161.05984	1.6
161.07939	10.5
161.10014	13.3
161.13252	3.2
162.03394	0.5
162.05521	13.1
162.09154	0.7
162.99072	0.6
163.02786	0.7
164.08469	0.4
165.06155	0.5
165.07872	0.5
170.99609	0.5
176.08330	0.5
177.00703	1.7
177.04349	1.0
179.04004	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47564	0.1
60.00656	0.2
61.80250	0.2
67.62755	0.2
71.14161	0.3
72.89010	0.1
81.60381	0.2
82.99844	1.9
85.58450	0.2
100.02480	0.2
101.00889	27.4
102.00958	1.2
115.02470	0.2
119.01930	100.0
120.01999	4.3
121.01627	0.2
121.02443	0.3
124.02469	0.3
133.03503	0.9
137.02966	27.4
138.03052	1.3
142.03514	2.0
143.01953	0.2
143.03650	1.1
145.48839	0.2
151.04550	0.2
159.63809	0.2
160.04591	0.3
161.02979	3.8
161.04320	0.5
162.03102	0.2
162.04280	0.2
179.04002	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	160.097
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
63.04358	0.4
67.05510	0.6
68.05032	1.8
70.06599	13.0
70.71788	0.6
70.72130	0.7
79.05508	1.4
81.05790	1.7
88.04008	0.9
94.06570	3.1
96.08140	36.0
97.08950	0.5
100.07613	0.7
106.08429	0.4
114.09177	100.0
115.09521	1.2
142.08652	19.9
142.76294	0.3
160.09708	51.5
161.10056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05530	0.5
67.05505	0.7
68.05023	1.1
69.07045	0.5
70.06596	9.6
70.69607	0.8
70.69935	1.1
75.59112	0.6
79.05483	2.9
81.05802	0.9
86.55197	0.7
91.05482	3.5
92.05257	0.7
92.05817	2.0
94.06579	2.0
96.08134	26.3
103.05472	1.6
104.67912	0.5
105.07043	6.2
106.07352	0.6
107.04952	0.8
114.09171	72.5
115.05463	4.3
115.09502	1.0
116.05721	0.7
117.07048	10.2
118.07354	0.9
119.08592	1.9
129.06960	0.8
130.07330	1.5
131.04945	0.7
131.08583	3.3
132.08900	3.5
133.06508	1.9
133.10133	1.8
141.06918	1.3
142.07678	1.0
142.08649	19.9
143.08559	1.2
144.05750	0.9
145.06491	100.0
146.06917	2.3
155.06027	2.0
159.08063	12.6
160.08812	65.0
160.09811	21.9
160.12022	5.2
161.05984	1.3
161.09650	3.3
161.13264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.03944	0.3
54.03466	0.2
55.01874	0.4
55.05519	0.3
56.26045	0.2
56.96563	1.1
57.03423	0.2
59.04991	0.4
59.93117	0.3
61.02929	0.3
62.51046	0.2
65.03941	0.4
67.04251	1.6
67.05502	0.4
68.05045	1.2
69.03428	0.4
70.06599	6.5
71.01752	0.4
73.02911	0.3
77.94131	0.3
79.05502	1.4
81.03410	0.3
81.05808	0.6
82.06586	0.5
83.04913	0.2
85.02910	0.6
86.06022	0.2
88.04011	0.6
91.05472	0.9
94.04198	0.2
94.06570	1.7
96.08135	19.1
97.02319	0.3
97.02918	0.5
98.01318	0.4
98.09711	0.3
98.97582	1.5
99.97955	0.4
101.00868	0.9
101.06039	0.3
103.05480	0.4
105.07044	4.9
107.04952	0.3
110.01306	0.3
110.80753	0.2
110.97560	0.3
111.86028	0.2
112.07609	0.3
114.09174	58.9
115.05459	15.9
115.06674	0.3
115.09519	0.5
116.05019	0.4
116.05802	0.3
116.10664	0.3
116.98633	0.6
117.05771	8.3
117.07050	0.7
118.06595	1.0
118.96752	1.6
119.01916	2.0
126.58546	0.2
128.98517	0.3
129.01208	0.2
130.06514	1.2
131.04961	0.8
131.07307	1.1
132.04520	0.3
132.08098	18.4
133.05270	0.9
133.06496	4.5
133.08412	0.3
134.06024	0.3
137.02939	0.3
140.02319	0.4
142.03525	0.6
142.06557	3.6
142.08640	13.6
143.07324	2.6
145.01711	0.6
145.05246	0.3
146.06050	0.4
149.02853	0.6
154.96506	0.6
158.99637	0.3
159.06828	3.5
160.07596	100.0
160.09633	32.9
161.02953	0.2
161.07947	2.1
161.10025	0.5
163.02800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03949	0.7
55.45848	0.3
56.64173	0.3
56.80656	0.4
60.41536	0.3
67.05502	3.0
70.06599	4.0
70.90157	0.8
70.90506	0.4
73.35246	0.4
76.93010	0.3
76.93377	3.5
79.05488	1.5
81.07050	1.3
83.48828	0.3
91.05485	11.8
93.07048	0.7
94.06554	0.9
94.94405	1.1
95.04977	0.4
96.08138	10.1
100.07584	0.5
103.05476	1.1
105.07037	22.5
113.02384	0.7
114.09173	28.7
115.05463	3.9
116.06255	3.1
117.07026	25.0
117.95983	3.3
118.07342	0.9
119.08587	9.4
128.06186	1.9
129.07008	15.2
130.07802	6.3
131.04913	1.4
131.08575	41.6
132.08047	0.5
132.08919	0.7
135.97034	1.4
141.01845	2.4
141.07010	1.9
142.07733	1.4
142.08646	7.1
143.08583	1.8
144.05724	2.3
144.09352	25.4
145.09665	0.8
157.10161	4.9
159.04428	0.7
159.08110	8.8
159.11700	100.0
160.09706	17.0
160.11885	2.7
160.13379	0.4
175.24174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89339	0.3
64.01814	0.3
65.03883	0.4
67.05512	2.9
70.06558	0.8
71.39182	0.7
79.05453	1.5
81.07033	0.7
88.05975	0.3
91.05482	11.0
92.05802	0.3
93.07011	0.4
96.08120	1.6
101.59543	0.3
103.05472	0.4
104.54268	0.3
105.07035	22.9
106.56142	0.3
114.09181	4.3
115.05445	3.9
116.06248	3.4
117.07028	20.5
118.07368	0.5
119.08589	7.8
128.06216	1.6
129.06023	0.5
129.07014	14.3
130.07825	7.4
131.08577	45.0
132.08917	1.2
138.97768	0.3
141.07033	1.3
142.07793	1.7
142.08673	0.7
143.08582	1.3
144.05737	1.9
144.09357	21.8
145.09723	0.5
157.06528	0.5
157.10132	5.1
157.11353	0.5
159.08118	14.4
159.11700	100.0
160.08475	0.6
160.09717	2.3
160.12013	2.9
169.07715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
67.05510	2.8
69.95084	2.5
70.06593	1.3
79.05492	0.9
90.73544	0.4
91.05486	8.9
96.08125	3.3
98.21410	0.7
103.05465	0.7
105.07043	23.8
114.09178	8.8
115.05448	2.9
116.06245	1.9
117.07030	19.8
117.96008	0.7
118.07352	0.5
119.08595	8.5
121.58986	0.4
128.06230	1.4
129.07025	12.2
130.07817	6.1
131.08582	37.8
132.08911	0.6
141.01816	0.5
141.06958	0.5
142.07751	1.8
142.08722	2.2
143.08548	1.5
144.05803	1.1
144.09360	24.8
145.09715	0.8
157.10135	4.9
159.08171	4.2
159.11705	100.0
160.09718	4.9
160.11964	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
58.75894	0.4
59.75753	0.5
62.54720	0.6
65.03938	0.5
67.05511	3.1
69.50475	3.0
69.50887	1.2
70.06597	0.5
79.05486	1.2
91.05485	21.5
92.05816	0.8
92.76163	0.5
96.08145	0.9
103.05451	0.8
105.07036	23.7
111.23902	0.5
111.35350	0.5
114.09156	2.9
115.05473	5.5
116.06249	6.9
117.07027	21.1
119.08575	9.7
128.06215	1.8
129.07011	18.7
130.07793	7.1
131.08575	52.1
132.08916	1.3
141.07007	1.8
142.07768	1.6
142.08746	0.8
143.08534	1.9
144.05727	2.7
144.09351	25.9
145.09674	0.6
149.09692	0.6
157.10156	4.9
159.08083	15.5
159.11699	100.0
160.09715	1.1
160.12062	2.8
171.86934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
54.92377	0.4
66.99752	0.4
67.05511	2.0
70.06581	0.7
70.38141	0.9
70.38530	1.1
76.93386	0.7
79.05478	1.1
81.07047	0.9
91.05486	7.1
91.76978	0.4
96.08142	1.5
103.05441	0.6
103.89901	0.4
105.07035	15.8
114.09169	3.3
115.04720	0.4
115.05467	2.1
116.06230	1.7
117.07029	14.9
119.08585	8.8
119.09444	0.5
128.06244	2.2
129.07019	13.8
130.07805	5.2
131.08578	31.5
132.08966	0.6
135.07175	0.4
141.01823	0.4
141.06987	0.7
142.07787	1.0
142.08711	0.6
143.08572	1.7
144.09355	28.5
145.09692	0.7
157.10164	3.6
157.11357	0.6
159.08179	3.2
159.11705	100.0
160.09769	2.0
160.12016	2.1
178.46449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02348	0.5
52.16627	0.4
53.03956	0.4
55.05513	1.2
65.03925	0.8
67.05506	6.4
70.06583	2.6
70.91054	1.3
71.05000	0.9
76.93365	2.9
79.05508	4.0
81.07043	3.4
85.02879	0.5
91.05485	12.2
93.07046	1.1
95.08591	0.7
95.78263	0.5
96.08119	5.9
98.97571	0.9
103.05479	1.6
105.07036	37.0
105.28150	0.5
106.07321	0.8
113.02460	0.6
114.09172	18.0
115.05457	4.8
116.06269	2.3
116.98592	0.6
117.07021	41.7
117.95986	1.8
119.08581	9.9
128.06226	1.7
129.07004	15.4
130.07802	6.9
131.08574	41.5
132.08955	0.9
135.97063	0.8
138.82693	0.5
141.01837	1.7
142.07738	1.4
142.08641	5.1
143.08559	1.9
144.05656	0.6
144.09354	25.3
155.08449	0.4
157.10127	4.9
159.08051	2.1
159.11697	100.0
160.09717	9.6
160.11926	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	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49970	0.6
55.05510	0.6
65.03890	0.6
67.05196	0.5
67.05509	3.9
68.05019	0.6
70.06590	4.0
70.92278	1.3
76.93363	2.3
77.03905	0.7
79.05482	2.0
81.07049	1.8
90.33947	0.5
91.05482	12.0
93.07027	0.6
94.06580	0.6
96.07567	0.8
96.08143	10.7
103.05465	0.9
105.07037	24.8
106.07345	0.6
114.09173	28.4
115.05467	4.9
116.06237	1.8
117.07019	33.8
117.95990	1.3
119.08585	9.3
128.06206	2.0
129.07011	15.2
130.07800	8.3
131.04871	0.8
131.08574	47.3
132.08925	1.1
135.97102	0.7
141.01846	1.0
141.06987	1.4
142.07722	1.4
142.08638	6.9
143.08588	1.9
144.05695	1.6
144.09352	25.0
145.09738	0.7
157.10117	5.1
159.08138	6.4
159.11697	100.0
160.08365	0.7
160.09692	13.2
160.11853	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03532	0.5
70.77168	1.2
74.93830	1.6
86.86298	0.5
91.05478	1.0
103.05474	5.0
115.05462	2.8
115.96454	1.4
117.07011	0.7
127.05434	3.6
128.06233	60.6
129.07016	100.0
130.07359	2.2
141.07002	10.3
142.07788	89.5
143.08173	1.7
145.06497	7.8
155.06055	9.1
155.08562	1.5
157.06502	74.3
157.10138	54.1
158.06824	2.3
158.10574	1.0
159.08127	1.3
161.23932	0.5
169.07622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.065
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
51.02379	0.5
52.35712	0.4
52.44278	0.4
53.03943	0.4
55.05490	0.4
55.22279	0.5
69.60110	3.0
73.03622	0.4
74.93845	4.0
91.05454	0.4
92.94872	0.5
93.58430	0.4
98.21543	0.6
103.05470	4.4
115.05446	2.3
115.96443	2.5
117.07015	0.8
120.81277	0.4
127.05415	4.4
128.06233	57.1
129.07018	100.0
130.07329	2.3
133.97499	0.8
141.06993	7.1
142.07790	66.9
143.08144	1.4
145.06491	7.6
155.06055	7.8
155.08607	0.9
156.06320	0.4
157.06503	74.9
157.10132	43.4
158.06891	2.3
159.08124	0.8
169.07692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.065
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
53.63205	0.4
62.14117	0.4
62.30888	0.4
71.36440	0.5
77.03940	0.5
103.05485	4.6
115.05471	2.8
117.07019	0.7
127.05461	3.7
128.06238	65.5
129.07021	100.0
130.07315	2.9
141.07005	9.1
142.07793	79.2
143.08141	1.5
145.06496	7.6
147.08070	0.5
155.06044	9.6
155.08629	0.7
156.09186	0.5
157.06508	75.8
157.10141	44.4
158.06865	1.7
158.10548	1.2
159.08041	0.7
169.07632	1.3
170.64287	0.5
173.11026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0499
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
53.03954	7.5
55.01632	2.0
55.01878	33.5
55.05265	2.5
55.05515	38.2
55.15454	1.3
56.96580	2.5
57.03449	14.7
59.04984	3.2
61.02942	3.0
65.03947	27.8
67.05505	9.9
68.05015	2.2
68.99800	6.4
69.03081	2.5
69.03437	45.4
70.06599	38.0
71.01366	9.5
71.05003	11.0
71.08665	2.7
71.09004	1.3
72.08142	1.5
73.02906	5.7
74.93829	1.9
81.03423	26.4
82.04219	1.4
82.05316	2.0
83.01336	3.1
83.04992	100.0
83.06060	7.9
84.06470	2.0
84.08144	3.2
84.56234	1.3
85.02427	2.6
85.02909	35.4
86.06055	2.1
87.00832	12.5
87.04488	1.9
93.03405	10.0
94.04837	1.7
94.06575	3.2
95.01341	30.0
97.02901	45.7
97.07645	1.7
98.03644	2.5
98.06048	3.5
98.97559	1.9
99.04472	8.2
101.00928	1.9
102.00948	2.3
109.02892	48.9
110.03665	4.0
110.07162	4.8
111.00818	4.8
111.04441	66.5
111.05566	27.0
111.06859	4.4
111.07515	28.3
111.09208	2.1
112.04787	1.2
112.07623	13.4
112.08746	20.1
113.02391	11.3
114.05555	2.7
115.03914	2.3
116.07093	6.5
118.01128	1.8
119.01931	4.2
120.02032	3.2
121.01654	1.6
121.02876	4.3
125.07133	3.1
126.03156	31.6
127.03928	30.6
128.06186	1.5
129.07018	4.4
133.01682	4.6
133.03482	2.7
139.03917	48.4
139.05008	2.3
140.07040	2.2
142.07773	7.4
143.03519	1.4
157.01350	5.0
157.05022	18.7
157.06218	4.7
157.09964	6.4
158.08119	3.4
158.09274	21.5
158.11797	2.1
160.02119	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	156.1021
Annotation	Scopoline
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	1.6
55.05519	5.2
55.93521	3.8
57.03429	3.6
57.07054	1.2
59.26178	0.9
59.38836	0.9
61.51295	1.0
65.03944	1.7
65.42215	0.9
67.05508	5.6
68.05019	1.8
69.03419	3.0
69.07076	12.6
70.06585	1.4
70.91418	2.8
70.95872	56.2
71.05006	1.3
72.08156	1.9
72.93796	41.9
73.93823	1.4
74.93832	3.6
79.05493	3.7
80.05029	1.6
81.05788	2.4
81.07053	4.8
82.06580	9.9
83.04972	4.2
83.08608	4.1
84.04538	1.1
84.08141	1.9
85.06542	2.0
86.09704	4.5
88.96921	11.7
90.94834	9.9
91.05484	4.1
92.05012	2.1
92.94837	1.9
93.07054	13.2
94.06576	2.5
95.04991	2.6
95.07359	3.6
95.08618	9.1
96.04501	21.6
96.08136	15.8
97.05283	23.0
97.06533	12.2
98.06050	1.6
98.09697	1.6
100.07625	6.6
108.08099	3.2
108.95901	1.4
109.06527	4.7
110.06054	44.5
110.07154	5.3
110.09694	25.6
110.10474	1.5
111.08089	27.2
111.98487	22.2
113.96418	5.1
114.05595	1.7
114.94811	1.4
115.05455	1.7
115.96443	4.6
120.08110	6.2
121.06506	5.8
123.06870	1.6
125.08387	9.9
126.09172	47.5
127.09622	1.1
127.28255	1.1
128.07091	2.1
128.10722	2.4
129.07056	3.7
129.76614	1.0
129.99548	7.5
130.06520	4.7
131.97469	2.0
132.95848	66.9
138.09148	89.6
139.07565	4.8
139.09406	2.0
141.06999	5.9
142.07793	6.0
150.96902	100.0
155.97429	7.0
156.06567	3.4
156.10231	66.7
157.07614	2.6
157.10167	3.3
164.98457	1.3
168.97955	3.4
173.98538	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	156.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01872	1.2
55.05513	1.0
55.24354	0.2
55.93533	0.3
56.05036	1.2
56.96559	0.5
57.03437	0.4
60.95865	0.8
65.03944	0.4
66.18791	0.1
67.05505	0.7
67.44601	0.2
68.05023	1.9
68.99783	0.4
69.03434	0.9
69.04553	0.3
69.07064	0.3
69.63345	0.1
70.01881	0.8
70.02255	0.3
70.06596	5.5
70.95872	2.8
71.04994	2.3
72.08154	0.6
72.93788	2.5
73.02911	0.3
78.52959	0.3
79.05488	0.7
81.03412	0.6
81.04548	1.0
81.05824	0.3
82.01446	0.2
82.05326	2.5
82.06588	1.2
83.05012	1.7
83.06106	11.5
84.04503	0.5
84.08129	0.6
85.02913	1.2
85.07664	0.3
86.06055	0.4
87.06400	0.2
88.96910	0.6
90.94830	0.6
91.05468	0.2
92.04826	0.2
93.04536	7.1
93.07076	0.2
94.06574	0.8
95.06095	7.6
96.03333	0.2
96.04506	0.4
96.08134	23.0
97.02892	1.6
97.08942	0.5
98.09694	0.7
100.02502	0.6
101.00877	1.4
102.05552	0.8
103.02439	0.3
109.02883	0.6
110.07169	100.0
110.09628	1.6
111.00863	0.2
111.04441	1.2
111.05564	0.8
111.06833	0.3
111.07514	1.1
111.98466	1.2
112.03999	0.2
112.04742	0.2
114.05560	0.2
115.00645	0.2
115.02444	0.6
116.08408	0.2
118.03550	0.3
119.01927	5.5
119.56584	0.2
120.02020	0.2
126.03161	0.2
126.09124	0.2
127.03926	0.5
128.03465	0.3
128.06203	0.2
128.07095	0.3
128.08052	0.2
128.10719	5.2
129.99496	0.5
131.01878	0.3
132.02026	0.4
132.05005	0.2
132.95837	3.4
133.01686	0.5
133.03467	2.5
137.02975	1.6
138.05528	1.2
138.06473	0.2
138.09192	0.3
139.03882	0.6
139.09511	0.3
141.06441	0.5
142.03496	2.2
142.07822	0.3
147.05026	0.5
148.05185	0.5
149.04807	0.4
150.96898	5.1
151.04498	0.5
155.97397	0.3
156.02962	1.1
156.05060	0.6
156.06538	1.4
156.07684	7.9
156.10204	14.6
157.01324	0.4
157.03557	0.3
157.04950	0.4
160.04568	0.5
166.06329	0.3
166.32990	0.2
167.02142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.077
Annotation	Histidine
Peak:m/z	Relative Intensity
55.01884	0.3
55.05514	0.6
55.93525	0.2
56.05041	1.2
56.96572	0.8
57.03436	0.2
58.99867	0.5
60.00673	0.2
60.99621	0.2
61.02956	0.2
65.03956	0.3
67.05507	0.3
68.05031	0.9
69.03432	1.0
70.88462	0.4
70.88832	0.4
70.95871	2.7
70.99852	0.5
72.08167	0.4
72.93790	2.3
73.02927	0.4
81.03419	0.4
81.04551	1.0
82.01447	0.4
82.05329	2.7
82.06588	0.4
82.99836	1.3
83.01498	0.2
83.05027	1.3
83.06110	11.0
84.04530	0.2
84.99318	0.2
85.01407	0.3
85.02902	0.8
85.07679	0.2
88.96906	0.5
90.94823	0.6
93.04534	8.9
93.79430	0.2
95.01333	0.4
95.06101	7.1
96.08135	0.4
97.02896	0.6
97.08881	0.2
98.01297	0.3
98.97600	0.6
100.02504	1.1
101.00888	12.2
101.02617	0.4
102.00982	0.8
103.02446	0.8
109.02886	0.5
110.07173	100.0
110.90691	0.2
111.04462	0.9
111.05560	1.5
111.06828	0.3
111.07510	1.4
111.98507	0.8
113.00854	0.2
113.96436	0.2
114.01058	0.5
115.00668	0.4
115.02431	0.9
116.98669	0.3
118.01147	0.2
118.03522	0.5
119.01929	38.0
120.02013	2.3
121.01630	0.3
121.03496	0.4
124.02453	1.9
126.03158	0.2
127.03889	0.3
128.98665	0.2
129.99515	0.3
131.01868	0.7
132.02014	2.3
132.05020	0.4
132.95853	3.8
133.01674	1.4
133.02525	0.2
133.03476	4.2
134.03583	0.2
137.02963	9.0
138.03027	0.3
138.05518	0.3
138.09151	0.4
139.03900	0.5
140.02315	0.2
142.03513	17.1
143.03622	0.6
149.01222	0.2
149.02840	0.4
150.03053	0.4
150.96913	4.5
151.04532	1.2
155.97493	0.3
156.02045	0.2
156.03185	0.2
156.04091	0.3
156.05179	0.3
156.06570	0.4
156.07693	8.1
156.10242	1.8
156.13765	0.2
157.04980	0.3
157.06163	0.2
160.04570	3.8
161.02997	0.2
161.04597	0.2
165.05043	0.5
173.98460	0.2
174.06161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55125	0.1
55.01883	0.4
55.05529	0.5
55.93533	0.4
56.05037	1.1
56.96577	0.8
57.03447	0.7
58.99881	0.3
61.02946	0.4
61.33434	0.2
65.03946	0.2
67.05513	0.3
68.05028	0.8
69.03448	0.9
70.06612	0.2
70.95876	2.9
70.99866	0.3
71.05037	0.2
71.15958	0.3
72.08164	0.6
72.93798	2.5
73.02927	0.4
74.09718	0.2
77.00903	0.3
81.03433	0.3
81.04543	0.9
81.96520	0.1
82.01455	0.5
82.01894	0.2
82.05320	2.6
82.05793	0.2
82.06591	0.3
82.99848	1.3
83.05015	1.0
83.06110	11.6
84.01559	0.3
84.04498	0.2
85.01421	0.4
85.02905	0.9
85.07658	0.3
86.06107	0.2
88.96870	0.4
89.00877	0.3
90.94841	0.4
93.04536	8.1
95.01322	0.3
95.06104	7.7
96.08138	0.9
97.02883	0.8
97.08909	0.3
98.01286	0.2
98.09686	0.2
98.64021	0.2
98.97601	0.6
100.02490	1.6
101.00889	18.8
101.02591	0.6
101.53217	0.2
102.00945	1.0
102.02199	0.3
103.00645	0.2
103.02464	1.2
109.02883	0.7
110.07174	100.0
111.02888	0.2
111.04454	0.7
111.05578	1.8
111.06830	0.3
111.07516	1.2
111.98465	0.9
113.96410	0.2
114.00999	0.7
114.04026	0.3
115.00630	0.5
115.01363	0.2
115.02434	1.0
116.98663	0.4
118.03568	0.6
119.01929	54.6
120.02000	2.3
120.03330	0.2
121.01646	0.4
121.02453	0.2
121.03502	0.5
124.02456	2.3
126.03134	0.4
127.03957	0.4
128.10735	0.2
129.99512	0.4
130.06380	0.2
131.01892	1.1
132.02031	3.0
132.05098	0.6
132.95836	3.5
133.01697	2.1
133.03471	6.1
134.03603	0.5
137.02965	13.5
138.03085	0.6
138.05510	0.4
138.09154	0.5
139.03925	0.2
142.03511	23.6
143.03662	0.7
145.03545	0.2
149.01210	0.3
149.02888	0.5
149.04745	0.2
149.97253	0.2
150.03117	0.4
150.06131	0.2
150.96899	4.7
151.02704	0.4
151.04541	1.3
155.97423	0.4
156.02025	0.4
156.04073	0.2
156.05084	0.7
156.06583	0.5
156.07695	8.3
156.10214	2.8
157.03537	0.2
157.04991	0.2
160.04565	5.2
161.03020	0.3
161.04610	0.2
165.05144	0.6
173.90294	0.2
173.98541	0.4
174.03104	0.5
174.06055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02232	0.7
56.05029	1.6
56.96572	0.9
58.72348	0.8
65.03947	1.0
68.05045	1.2
70.00378	3.9
70.00757	1.8
70.06587	3.1
74.09727	12.3
82.05319	2.8
83.04998	1.6
83.06114	12.8
85.07669	1.5
93.04545	8.5
95.06100	7.2
96.08128	2.7
96.96908	2.3
97.08904	1.9
110.07175	100.0
110.09709	3.2
111.05573	2.1
111.07499	1.5
112.05251	2.5
114.00912	1.1
119.01934	2.2
120.02083	1.1
130.06325	11.3
132.02063	3.3
132.95786	1.1
133.01648	1.4
133.03470	2.3
138.09132	1.3
156.04228	45.6
156.07701	6.6
156.10231	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.1
55.01865	2.9
55.05514	28.7
57.03447	8.0
57.07070	3.4
59.04998	5.2
62.41993	1.8
65.03925	3.6
67.05510	96.5
69.03432	10.9
69.07077	9.3
70.40620	1.5
70.48939	5.2
70.95855	5.8
71.01362	21.9
71.04997	78.1
72.93794	40.4
75.54116	1.7
79.05502	9.4
81.03423	2.6
81.07058	49.5
83.04974	6.9
83.08623	2.3
85.06540	7.0
90.94845	8.2
91.05474	4.0
91.20287	1.6
93.07030	9.8
95.04972	25.3
95.08613	76.4
96.08970	1.9
97.06528	4.1
99.04457	59.7
99.08109	4.3
101.06001	1.8
107.08589	3.8
109.02927	2.0
109.06521	9.0
109.10162	100.0
111.04477	2.9
111.08093	8.5
111.98468	1.9
113.06023	11.1
113.96411	21.0
119.08556	4.4
123.04445	2.7
127.03901	2.1
127.07543	1.9
131.96455	2.4
131.97408	11.8
132.95869	8.1
135.01572	1.6
137.02382	2.7
137.09624	20.7
140.04648	2.5
141.06987	10.9
150.96898	10.8
153.07043	2.0
155.03384	3.0
155.07069	4.7
155.08577	15.0
155.10649	14.7
156.09329	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	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.32611	1.3
53.03947	4.5
55.01863	2.3
55.05519	31.1
55.82907	1.3
57.03447	8.2
57.07080	2.7
59.05001	5.5
65.03938	4.5
66.87340	1.3
67.05511	92.1
69.03442	1.9
69.07079	10.3
70.09834	5.8
70.10242	2.3
70.95866	3.0
71.01356	18.7
71.05000	81.3
72.86824	1.3
72.93799	21.2
79.05505	7.8
81.03443	1.9
81.07065	48.7
83.04991	5.5
83.08631	2.3
85.06550	4.8
88.79552	1.3
90.94862	2.7
91.05482	4.2
91.49415	1.4
93.07069	9.9
95.04984	29.6
95.08617	69.1
97.06555	1.9
99.04463	55.7
99.08112	6.3
101.06046	1.5
107.08572	3.7
109.06512	6.8
109.10168	100.0
111.07442	1.5
111.08077	8.1
113.06027	8.3
113.96426	10.5
119.08595	3.1
123.04410	4.6
125.02367	3.5
131.96193	2.4
131.97467	6.5
132.95863	3.7
137.09634	13.6
140.04695	10.8
149.97241	2.3
150.96902	5.5
155.07120	3.2
155.08627	3.0
155.10703	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.03788	1.3
53.03957	6.6
55.01863	2.6
55.05272	2.2
55.05516	28.2
57.03439	10.2
57.07068	2.1
59.05005	6.2
60.37118	1.1
65.03947	7.4
67.05509	89.8
69.03442	7.5
69.07065	9.0
69.96178	2.0
70.95869	15.3
71.01363	16.6
71.04998	73.4
71.55949	2.1
72.93793	100.0
78.19302	1.1
79.05509	9.7
81.03423	5.3
81.07063	69.2
83.04985	14.1
83.08599	2.6
84.18237	1.1
85.06541	7.1
88.96912	3.7
90.94835	26.2
91.05482	5.8
93.07037	11.2
95.04975	27.6
95.08613	62.2
96.08954	2.4
97.06518	4.0
98.98450	2.4
99.04460	55.1
99.08092	4.6
101.05999	2.5
105.04542	1.5
107.08630	6.6
108.95846	1.6
109.02888	3.0
109.05881	2.0
109.06541	20.2
109.10162	86.4
110.10488	1.6
111.04463	7.1
111.08085	6.9
111.98469	5.7
113.06004	11.3
113.09647	2.9
113.96409	52.5
119.08575	4.2
122.07312	1.3
122.08336	1.1
123.04433	5.5
125.02373	2.2
127.03909	5.2
127.07578	2.4
129.07018	2.0
129.99516	2.1
131.96182	7.5
131.97435	32.3
132.95847	23.5
137.02339	4.1
137.05997	9.1
137.09608	14.1
140.04680	5.6
141.06978	2.2
149.97224	9.5
150.96902	31.0
153.06964	3.6
154.07742	1.5
154.99046	2.7
155.03384	4.8
155.07037	13.3
155.08583	16.3
155.10629	10.6
155.97372	2.5
161.55299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
65.14533	0.3
70.78024	0.8
71.34151	0.2
72.93787	2.8
79.02460	0.2
95.04934	0.7
97.09219	0.3
97.97746	0.3
98.98441	0.3
103.05488	0.4
113.96417	1.5
115.05464	6.0
128.06218	2.9
129.07022	7.6
131.97443	0.9
135.95421	0.3
140.06229	0.4
141.07047	0.7
145.06485	1.1
152.06227	1.4
153.07007	17.6
154.07796	5.7
155.08565	100.0
156.08896	3.2
164.93758	0.4
167.94061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0856
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
53.03941	0.6
56.96558	0.4
70.74545	0.5
72.93790	3.5
83.04970	0.3
90.94827	0.6
95.04967	1.0
98.98438	0.4
103.05482	0.6
113.96407	2.1
115.05465	5.4
116.05798	0.3
127.05424	0.4
128.06233	3.4
129.07021	7.4
130.90367	0.3
131.97458	0.9
140.06194	0.6
141.07005	0.6
145.06473	1.0
152.06241	1.1
153.07008	17.7
154.07797	6.6
155.08563	100.0
155.53407	0.3
156.08926	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	155.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
54.93826	3.6
55.01865	3.2
55.05518	35.9
55.93521	4.2
56.05835	1.7
56.96301	2.8
56.96571	54.6
57.03429	8.3
60.56113	1.6
61.02924	4.5
65.03928	3.6
67.05505	7.6
68.99779	2.8
69.03431	14.1
69.82975	8.2
69.96185	30.7
70.95873	52.6
71.05003	2.6
71.94105	11.4
72.51751	1.8
72.93798	81.3
73.02910	4.7
73.06562	26.2
79.05495	1.9
81.03413	8.7
81.07072	5.9
83.02612	2.8
83.04974	7.9
83.06100	7.5
85.02917	13.0
87.04469	2.8
88.96918	12.4
90.94833	16.9
92.03127	5.8
93.04572	4.3
95.04952	8.5
95.06092	6.4
95.48676	2.0
97.02909	12.1
98.97598	57.9
98.98471	11.6
99.04465	4.6
100.02505	2.4
101.00854	5.3
108.95857	2.5
109.02881	10.0
109.06494	4.0
109.10206	2.8
110.01274	2.6
110.07180	57.6
110.97560	5.2
110.98745	2.2
111.04446	5.4
111.08092	1.9
111.98484	19.7
113.00871	6.1
113.05981	3.9
113.95128	4.0
113.96398	23.8
115.02403	2.2
116.98623	18.9
117.03855	2.5
119.01901	14.4
119.03631	2.3
123.04481	1.8
124.99072	2.3
125.02361	2.0
125.03628	2.6
127.03951	14.0
127.07526	2.5
128.02304	4.3
128.98657	3.6
129.02257	4.5
129.99493	8.8
131.01915	20.2
131.96149	73.4
131.97400	12.4
132.01958	2.8
132.05093	3.2
132.94843	3.6
132.95850	69.3
133.03474	2.3
134.99638	6.3
137.02347	5.0
140.04669	5.7
143.00218	2.5
143.01938	3.5
144.05237	5.2
145.01701	3.9
145.03510	2.0
146.99603	2.1
147.03307	17.2
147.05002	1.8
147.82614	1.9
149.03036	2.6
149.97223	92.5
150.96906	100.0
153.05753	3.0
154.90742	3.4
154.97737	2.5
155.00041	1.6
155.01964	3.4
155.03424	4.5
155.04646	32.4
155.07022	14.5
155.08293	3.5
155.11784	4.3
155.54761	3.5
155.97446	5.5
156.07693	3.6
158.99667	26.3
161.02937	4.4
164.05196	13.3
165.04413	8.9
166.55562	2.6
167.98274	3.4
168.98004	2.9
172.98804	3.5
173.02953	4.0
173.98465	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	154.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	0.6
53.71992	0.5
55.01890	1.2
55.05516	2.9
65.02143	0.6
65.03947	35.9
66.04294	1.3
67.05524	3.0
68.02669	0.9
68.05013	0.7
68.96337	0.7
69.03430	1.0
69.07075	0.9
69.76134	2.4
70.06587	0.6
71.01387	1.6
71.05016	0.6
71.94113	7.5
71.95294	2.0
72.93793	20.6
75.13161	0.6
78.04772	0.5
80.05029	0.8
81.03407	4.4
81.07063	1.6
82.06609	0.7
82.07386	0.6
83.04999	2.6
83.07381	0.8
89.95172	1.0
90.94839	6.1
93.03413	29.1
94.04288	0.7
95.04990	2.4
95.08627	0.9
96.02116	5.4
97.06546	0.6
98.06906	1.0
98.98459	0.7
107.01353	1.6
108.08167	0.7
108.08925	1.1
108.95908	1.1
109.02895	6.8
109.06562	1.0
109.10146	1.0
111.04451	32.7
112.04776	1.9
112.08451	0.7
112.96730	2.5
113.96407	12.5
121.04050	1.3
121.82574	0.6
124.05207	5.2
125.06027	1.0
126.09164	1.2
127.03957	1.0
129.07114	0.6
130.97757	1.4
131.97440	10.1
136.07564	3.3
139.03912	100.0
140.04222	1.4
145.57820	0.6
148.97409	0.7
149.97301	0.6
149.98524	0.6
153.06970	3.7
154.05042	6.1
154.06253	71.8
154.07611	3.5
154.08716	2.3
154.13152	0.9
154.99062	0.9
155.06721	1.3
155.08556	9.1
173.06480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20473	0.4
54.93620	0.3
54.93836	3.3
55.05510	0.5
56.96569	2.1
58.99852	0.9
59.41231	0.3
64.28683	0.3
67.05507	0.6
68.00388	0.7
69.03410	0.4
69.57062	2.2
69.96179	32.1
70.95873	3.7
71.94103	13.5
72.04502	1.5
72.93401	0.5
72.93793	9.6
77.00899	0.4
77.50938	0.4
79.05482	0.4
79.51163	1.2
80.01191	2.3
80.51042	3.0
81.03401	0.4
82.01421	1.1
83.04962	0.6
87.21410	0.3
87.97203	1.2
88.51694	5.7
88.96906	0.8
89.01746	14.6
89.51566	11.9
89.95152	0.7
90.01613	1.0
90.94807	1.4
91.05474	0.8
91.52023	0.5
92.01833	0.7
98.02258	1.2
98.21515	0.4
98.52111	1.0
98.97615	0.5
100.02494	4.0
100.52524	2.8
101.00873	1.7
101.02355	2.7
102.02234	0.5
103.02419	0.9
105.07092	0.6
108.48219	1.2
108.98013	0.6
110.98742	1.3
111.48320	0.7
111.53563	0.4
111.98509	1.8
113.00852	2.8
113.05994	0.4
113.95121	3.2
113.96393	3.5
113.98615	0.4
114.04017	2.9
115.02431	0.9
115.05475	0.3
116.98676	0.5
117.48731	2.2
117.98587	2.3
118.03562	1.1
119.01933	6.2
119.48994	1.6
119.99004	4.1
120.48788	4.7
120.98826	0.7
122.49266	0.4
123.02841	0.4
125.99237	1.8
126.49278	4.5
126.99084	6.0
127.03922	0.4
127.49398	0.5
128.49490	5.6
128.99538	21.6
129.07004	0.7
129.49367	24.2
129.99438	2.2
130.06248	0.3
130.99786	0.6
131.01918	11.8
131.49814	2.8
131.55049	0.4
131.96153	70.8
131.99606	2.7
132.01974	4.1
132.05072	27.6
132.06088	0.9
132.49770	0.8
132.95824	4.8
133.01634	0.6
133.03441	2.5
133.05142	0.4
137.03018	0.9
137.50023	12.7
137.98927	0.7
138.00061	53.4
138.49883	54.0
138.99933	7.9
139.49860	1.4
140.00285	3.0
140.50333	14.4
141.00151	17.4
141.50191	2.4
142.00043	0.5
142.03511	0.6
143.05203	0.3
144.05959	0.5
145.00816	1.0
145.03426	1.2
145.50681	0.8
147.00549	0.8
147.03758	1.2
147.50372	0.8
148.00938	0.4
149.00835	4.0
149.02943	2.0
149.50867	26.2
149.97208	100.0
150.00668	28.5
150.06117	15.3
150.50760	4.2
150.96878	7.9
151.00842	0.4
151.04526	0.9
151.06305	0.5
152.01073	0.6
152.51007	1.4
153.06683	0.6
154.97768	3.2
155.01913	2.2
155.03568	1.2
155.06839	1.2
155.08443	0.6
155.97447	0.4
156.05099	0.9
156.51642	0.5
157.01503	0.5
160.04716	0.4
161.51479	0.6
163.98795	1.0
165.04822	0.4
167.98244	7.0
172.98831	4.7
173.01572	0.3
173.02969	2.3
173.04300	0.4
173.98528	0.5
174.06117	2.7
END